USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 747 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 75 THR OG1 : rot 180:sc= 0.00721 USER MOD Set 1.2: A 79 TYR OH : rot 37:sc= 0.793 USER MOD Set 2.1: A 32 GLN : amide:sc= -0.336 X(o=-0.34,f=-0.11) USER MOD Set 2.2: A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 1 HIS :FLIP no HD1:sc= 0.0653 F(o=-0.85,f=0.065) USER MOD Single : A 1 HIS N :NH3+ -171:sc= 0.0741 (180deg=0.000619) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= -0.437 USER MOD Single : A 7 SER OG : rot 180:sc= -0.0472 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.138 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.257) USER MOD Single : A 24 HIS : no HD1:sc= 1.03 K(o=1,f=-3!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN :FLIP amide:sc= -2.89! C(o=-3.4!,f=-2.9!) USER MOD Single : A 31 THR OG1 : rot -51:sc= 1.1 USER MOD Single : A 34 SER OG : rot 34:sc= -0.267 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 158:sc= -0.112 (180deg=-0.824) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=-0.0069) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -178:sc= -5.03 (180deg=-5.09) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= -0.0929 USER MOD Single : A 78 THR OG1 : rot 99:sc= -2.21 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -0.44 X(o=-0.44,f=-0.83!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.00626 USER MOD Single : A 96 SER OG : rot 180:sc=-0.00825 USER MOD Single : A 98 THR OG1 : rot 26:sc= 0.127 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 12.271 11.107 -1.457 1.00 7.36 N ATOM 2 CA HIS A 1 13.075 9.898 -1.524 1.00 6.01 C ATOM 3 C HIS A 1 12.662 9.076 -2.747 1.00 4.61 C ATOM 4 O HIS A 1 11.656 9.372 -3.389 1.00 5.05 O ATOM 5 CB HIS A 1 12.978 9.108 -0.217 1.00 6.67 C ATOM 6 CG HIS A 1 11.942 9.638 0.745 1.00 8.08 C ATOM 7 ND1 HIS A 1 10.589 9.754 0.623 1.00 9.35 N flip ATOM 8 CD2 HIS A 1 12.266 10.123 2.001 1.00 8.91 C flip ATOM 9 CE1 HIS A 1 10.111 10.281 1.744 1.00 10.65 C flip ATOM 10 NE2 HIS A 1 11.149 10.510 2.599 1.00 10.44 N flip ATOM 0 H1 HIS A 1 12.650 11.736 -0.721 1.00 7.36 H new ATOM 0 H2 HIS A 1 12.298 11.594 -2.376 1.00 7.36 H new ATOM 0 H3 HIS A 1 11.288 10.858 -1.226 1.00 7.36 H new ATOM 0 HA HIS A 1 14.126 10.161 -1.644 1.00 6.01 H new ATOM 0 HB2 HIS A 1 12.746 8.069 -0.449 1.00 6.67 H new ATOM 0 HB3 HIS A 1 13.952 9.115 0.273 1.00 6.67 H new ATOM 0 HD2 HIS A 1 13.259 10.177 2.421 1.00 8.91 H new ATOM 0 HE1 HIS A 1 9.071 10.493 1.946 1.00 10.65 H new ATOM 0 HE2 HIS A 1 11.078 10.909 3.535 1.00 10.44 H new ATOM 20 N PRO A 2 13.482 8.031 -3.039 1.00 3.66 N ATOM 21 CA PRO A 2 13.213 7.163 -4.173 1.00 3.07 C ATOM 22 C PRO A 2 12.053 6.213 -3.873 1.00 2.41 C ATOM 23 O PRO A 2 11.891 5.765 -2.740 1.00 2.58 O ATOM 24 CB PRO A 2 14.524 6.438 -4.433 1.00 3.87 C ATOM 25 CG PRO A 2 15.337 6.577 -3.156 1.00 4.48 C ATOM 26 CD PRO A 2 14.683 7.649 -2.302 1.00 4.35 C ATOM 0 HA PRO A 2 12.896 7.714 -5.059 1.00 3.07 H new ATOM 0 HB2 PRO A 2 14.349 5.389 -4.673 1.00 3.87 H new ATOM 0 HB3 PRO A 2 15.051 6.875 -5.281 1.00 3.87 H new ATOM 0 HG2 PRO A 2 15.370 5.629 -2.619 1.00 4.48 H new ATOM 0 HG3 PRO A 2 16.367 6.849 -3.387 1.00 4.48 H new ATOM 0 HD2 PRO A 2 14.435 7.269 -1.311 1.00 4.35 H new ATOM 0 HD3 PRO A 2 15.347 8.501 -2.159 1.00 4.35 H new ATOM 34 N LYS A 3 11.277 5.932 -4.909 1.00 2.07 N ATOM 35 CA LYS A 3 10.136 5.043 -4.772 1.00 1.63 C ATOM 36 C LYS A 3 10.330 3.828 -5.679 1.00 1.14 C ATOM 37 O LYS A 3 11.183 3.839 -6.566 1.00 1.26 O ATOM 38 CB LYS A 3 8.832 5.801 -5.029 1.00 2.15 C ATOM 39 CG LYS A 3 8.355 6.516 -3.764 1.00 3.03 C ATOM 40 CD LYS A 3 8.005 7.977 -4.058 1.00 3.40 C ATOM 41 CE LYS A 3 6.626 8.333 -3.501 1.00 4.65 C ATOM 42 NZ LYS A 3 6.089 9.535 -4.178 1.00 5.03 N ATOM 0 H LYS A 3 11.416 6.305 -5.848 1.00 2.07 H new ATOM 0 HA LYS A 3 10.064 4.670 -3.750 1.00 1.63 H new ATOM 0 HB2 LYS A 3 8.981 6.528 -5.828 1.00 2.15 H new ATOM 0 HB3 LYS A 3 8.064 5.106 -5.370 1.00 2.15 H new ATOM 0 HG2 LYS A 3 7.482 6.004 -3.360 1.00 3.03 H new ATOM 0 HG3 LYS A 3 9.133 6.471 -3.001 1.00 3.03 H new ATOM 0 HD2 LYS A 3 8.758 8.631 -3.619 1.00 3.40 H new ATOM 0 HD3 LYS A 3 8.022 8.149 -5.134 1.00 3.40 H new ATOM 0 HE2 LYS A 3 5.943 7.495 -3.640 1.00 4.65 H new ATOM 0 HE3 LYS A 3 6.696 8.513 -2.428 1.00 4.65 H new ATOM 0 HZ1 LYS A 3 5.152 9.763 -3.788 1.00 5.03 H new ATOM 0 HZ2 LYS A 3 6.733 10.337 -4.024 1.00 5.03 H new ATOM 0 HZ3 LYS A 3 6.004 9.350 -5.198 1.00 5.03 H new ATOM 56 N LEU A 4 9.525 2.805 -5.427 1.00 0.88 N ATOM 57 CA LEU A 4 9.597 1.584 -6.210 1.00 0.77 C ATOM 58 C LEU A 4 9.469 1.927 -7.695 1.00 0.67 C ATOM 59 O LEU A 4 9.206 3.075 -8.051 1.00 0.69 O ATOM 60 CB LEU A 4 8.560 0.571 -5.721 1.00 1.11 C ATOM 61 CG LEU A 4 7.098 0.909 -6.024 1.00 0.66 C ATOM 62 CD1 LEU A 4 6.864 2.420 -5.978 1.00 0.88 C ATOM 63 CD2 LEU A 4 6.661 0.301 -7.358 1.00 0.53 C ATOM 0 H LEU A 4 8.819 2.798 -4.691 1.00 0.88 H new ATOM 0 HA LEU A 4 10.566 1.103 -6.076 1.00 0.77 H new ATOM 0 HB2 LEU A 4 8.788 -0.397 -6.167 1.00 1.11 H new ATOM 0 HB3 LEU A 4 8.671 0.459 -4.642 1.00 1.11 H new ATOM 0 HG LEU A 4 6.476 0.464 -5.248 1.00 0.66 H new ATOM 0 HD11 LEU A 4 5.818 2.633 -6.197 1.00 0.88 H new ATOM 0 HD12 LEU A 4 7.111 2.796 -4.985 1.00 0.88 H new ATOM 0 HD13 LEU A 4 7.496 2.909 -6.719 1.00 0.88 H new ATOM 0 HD21 LEU A 4 5.619 0.556 -7.550 1.00 0.53 H new ATOM 0 HD22 LEU A 4 7.285 0.696 -8.160 1.00 0.53 H new ATOM 0 HD23 LEU A 4 6.768 -0.783 -7.316 1.00 0.53 H new ATOM 75 N VAL A 5 9.661 0.911 -8.523 1.00 0.62 N ATOM 76 CA VAL A 5 9.569 1.091 -9.962 1.00 0.57 C ATOM 77 C VAL A 5 8.191 1.655 -10.316 1.00 0.47 C ATOM 78 O VAL A 5 8.049 2.854 -10.551 1.00 0.52 O ATOM 79 CB VAL A 5 9.875 -0.228 -10.675 1.00 0.62 C ATOM 80 CG1 VAL A 5 9.663 -0.098 -12.185 1.00 0.66 C ATOM 81 CG2 VAL A 5 11.294 -0.706 -10.359 1.00 0.79 C ATOM 0 H VAL A 5 9.880 -0.040 -8.225 1.00 0.62 H new ATOM 0 HA VAL A 5 10.312 1.811 -10.304 1.00 0.57 H new ATOM 0 HB VAL A 5 9.178 -0.979 -10.303 1.00 0.62 H new ATOM 0 HG11 VAL A 5 9.887 -1.049 -12.667 1.00 0.66 H new ATOM 0 HG12 VAL A 5 8.627 0.175 -12.385 1.00 0.66 H new ATOM 0 HG13 VAL A 5 10.324 0.674 -12.580 1.00 0.66 H new ATOM 0 HG21 VAL A 5 11.486 -1.645 -10.878 1.00 0.79 H new ATOM 0 HG22 VAL A 5 12.013 0.044 -10.689 1.00 0.79 H new ATOM 0 HG23 VAL A 5 11.396 -0.858 -9.284 1.00 0.79 H new ATOM 91 N SER A 6 7.211 0.764 -10.340 1.00 0.41 N ATOM 92 CA SER A 6 5.850 1.158 -10.661 1.00 0.37 C ATOM 93 C SER A 6 4.859 0.319 -9.851 1.00 0.33 C ATOM 94 O SER A 6 5.154 -0.818 -9.489 1.00 0.35 O ATOM 95 CB SER A 6 5.571 1.010 -12.157 1.00 0.43 C ATOM 96 OG SER A 6 6.694 1.388 -12.949 1.00 0.56 O ATOM 0 H SER A 6 7.332 -0.229 -10.142 1.00 0.41 H new ATOM 0 HA SER A 6 5.727 2.209 -10.399 1.00 0.37 H new ATOM 0 HB2 SER A 6 5.305 -0.024 -12.376 1.00 0.43 H new ATOM 0 HB3 SER A 6 4.713 1.624 -12.428 1.00 0.43 H new ATOM 0 HG SER A 6 6.477 1.278 -13.898 1.00 0.56 H new ATOM 102 N SER A 7 3.703 0.914 -9.591 1.00 0.31 N ATOM 103 CA SER A 7 2.666 0.236 -8.832 1.00 0.29 C ATOM 104 C SER A 7 1.297 0.831 -9.169 1.00 0.30 C ATOM 105 O SER A 7 1.212 1.896 -9.778 1.00 0.34 O ATOM 106 CB SER A 7 2.932 0.335 -7.328 1.00 0.29 C ATOM 107 OG SER A 7 3.014 1.688 -6.889 1.00 0.33 O ATOM 0 H SER A 7 3.462 1.858 -9.893 1.00 0.31 H new ATOM 0 HA SER A 7 2.674 -0.819 -9.107 1.00 0.29 H new ATOM 0 HB2 SER A 7 2.136 -0.175 -6.785 1.00 0.29 H new ATOM 0 HB3 SER A 7 3.862 -0.181 -7.090 1.00 0.29 H new ATOM 0 HG SER A 7 3.183 1.709 -5.924 1.00 0.33 H new ATOM 113 N THR A 8 0.260 0.115 -8.759 1.00 0.31 N ATOM 114 CA THR A 8 -1.101 0.558 -9.010 1.00 0.35 C ATOM 115 C THR A 8 -1.964 0.359 -7.764 1.00 0.35 C ATOM 116 O THR A 8 -2.969 -0.350 -7.806 1.00 0.39 O ATOM 117 CB THR A 8 -1.624 -0.192 -10.238 1.00 0.40 C ATOM 118 OG1 THR A 8 -0.491 -0.280 -11.099 1.00 0.63 O ATOM 119 CG2 THR A 8 -2.637 0.630 -11.038 1.00 0.84 C ATOM 0 H THR A 8 0.335 -0.769 -8.255 1.00 0.31 H new ATOM 0 HA THR A 8 -1.136 1.626 -9.224 1.00 0.35 H new ATOM 0 HB THR A 8 -2.084 -1.129 -9.923 1.00 0.40 H new ATOM 0 HG1 THR A 8 -0.740 -0.754 -11.920 1.00 0.63 H new ATOM 0 HG21 THR A 8 -2.976 0.052 -11.898 1.00 0.84 H new ATOM 0 HG22 THR A 8 -3.490 0.873 -10.404 1.00 0.84 H new ATOM 0 HG23 THR A 8 -2.167 1.551 -11.382 1.00 0.84 H new ATOM 127 N PRO A 9 -1.531 1.016 -6.654 1.00 0.33 N ATOM 128 CA PRO A 9 -2.255 0.919 -5.397 1.00 0.35 C ATOM 129 C PRO A 9 -3.535 1.755 -5.435 1.00 0.40 C ATOM 130 O PRO A 9 -4.634 1.220 -5.301 1.00 0.52 O ATOM 131 CB PRO A 9 -1.269 1.388 -4.340 1.00 0.33 C ATOM 132 CG PRO A 9 -0.197 2.168 -5.084 1.00 0.32 C ATOM 133 CD PRO A 9 -0.347 1.865 -6.566 1.00 0.31 C ATOM 0 HA PRO A 9 -2.596 -0.094 -5.184 1.00 0.35 H new ATOM 0 HB2 PRO A 9 -1.762 2.014 -3.597 1.00 0.33 H new ATOM 0 HB3 PRO A 9 -0.836 0.541 -3.807 1.00 0.33 H new ATOM 0 HG2 PRO A 9 -0.305 3.237 -4.900 1.00 0.32 H new ATOM 0 HG3 PRO A 9 0.795 1.883 -4.734 1.00 0.32 H new ATOM 0 HD2 PRO A 9 -0.472 2.779 -7.146 1.00 0.31 H new ATOM 0 HD3 PRO A 9 0.534 1.357 -6.957 1.00 0.31 H new ATOM 141 N ALA A 10 -3.350 3.054 -5.618 1.00 0.39 N ATOM 142 CA ALA A 10 -4.476 3.970 -5.675 1.00 0.45 C ATOM 143 C ALA A 10 -3.972 5.404 -5.504 1.00 0.46 C ATOM 144 O ALA A 10 -4.534 6.175 -4.729 1.00 0.47 O ATOM 145 CB ALA A 10 -5.504 3.583 -4.610 1.00 0.45 C ATOM 0 H ALA A 10 -2.436 3.494 -5.729 1.00 0.39 H new ATOM 0 HA ALA A 10 -4.971 3.908 -6.644 1.00 0.45 H new ATOM 0 HB1 ALA A 10 -6.349 4.270 -4.653 1.00 0.45 H new ATOM 0 HB2 ALA A 10 -5.853 2.567 -4.794 1.00 0.45 H new ATOM 0 HB3 ALA A 10 -5.043 3.636 -3.624 1.00 0.45 H new ATOM 151 N GLU A 11 -2.917 5.718 -6.241 1.00 0.50 N ATOM 152 CA GLU A 11 -2.330 7.046 -6.182 1.00 0.57 C ATOM 153 C GLU A 11 -3.425 8.113 -6.239 1.00 0.62 C ATOM 154 O GLU A 11 -4.029 8.332 -7.289 1.00 0.69 O ATOM 155 CB GLU A 11 -1.310 7.246 -7.304 1.00 0.71 C ATOM 156 CG GLU A 11 0.117 7.028 -6.793 1.00 0.71 C ATOM 157 CD GLU A 11 0.994 6.390 -7.872 1.00 1.16 C ATOM 158 OE1 GLU A 11 0.549 5.462 -8.565 1.00 2.14 O ATOM 159 OE2 GLU A 11 2.177 6.892 -7.980 1.00 1.76 O ATOM 0 H GLU A 11 -2.453 5.075 -6.883 1.00 0.50 H new ATOM 0 HA GLU A 11 -1.801 7.146 -5.234 1.00 0.57 H new ATOM 0 HB2 GLU A 11 -1.519 6.552 -8.118 1.00 0.71 H new ATOM 0 HB3 GLU A 11 -1.405 8.253 -7.711 1.00 0.71 H new ATOM 0 HG2 GLU A 11 0.547 7.982 -6.487 1.00 0.71 H new ATOM 0 HG3 GLU A 11 0.097 6.389 -5.910 1.00 0.71 H new ATOM 166 N GLY A 12 -3.648 8.750 -5.099 1.00 0.58 N ATOM 167 CA GLY A 12 -4.660 9.788 -5.007 1.00 0.63 C ATOM 168 C GLY A 12 -5.920 9.396 -5.779 1.00 0.68 C ATOM 169 O GLY A 12 -6.414 10.165 -6.602 1.00 0.82 O ATOM 0 H GLY A 12 -3.145 8.567 -4.231 1.00 0.58 H new ATOM 0 HA2 GLY A 12 -4.911 9.965 -3.961 1.00 0.63 H new ATOM 0 HA3 GLY A 12 -4.263 10.723 -5.402 1.00 0.63 H new ATOM 173 N SER A 13 -6.406 8.198 -5.486 1.00 0.71 N ATOM 174 CA SER A 13 -7.601 7.694 -6.143 1.00 0.78 C ATOM 175 C SER A 13 -8.844 8.086 -5.341 1.00 0.75 C ATOM 176 O SER A 13 -9.153 7.463 -4.326 1.00 0.72 O ATOM 177 CB SER A 13 -7.536 6.176 -6.313 1.00 0.88 C ATOM 178 OG SER A 13 -7.014 5.802 -7.586 1.00 1.30 O ATOM 0 H SER A 13 -5.994 7.562 -4.803 1.00 0.71 H new ATOM 0 HA SER A 13 -7.661 8.141 -7.135 1.00 0.78 H new ATOM 0 HB2 SER A 13 -6.913 5.750 -5.527 1.00 0.88 H new ATOM 0 HB3 SER A 13 -8.534 5.755 -6.193 1.00 0.88 H new ATOM 0 HG SER A 13 -6.987 4.825 -7.654 1.00 1.30 H new ATOM 184 N GLU A 14 -9.522 9.115 -5.827 1.00 0.82 N ATOM 185 CA GLU A 14 -10.724 9.596 -5.168 1.00 0.90 C ATOM 186 C GLU A 14 -11.965 9.189 -5.965 1.00 1.00 C ATOM 187 O GLU A 14 -12.084 9.515 -7.145 1.00 1.11 O ATOM 188 CB GLU A 14 -10.672 11.113 -4.971 1.00 1.05 C ATOM 189 CG GLU A 14 -9.351 11.537 -4.327 1.00 1.08 C ATOM 190 CD GLU A 14 -9.049 13.010 -4.612 1.00 1.32 C ATOM 191 OE1 GLU A 14 -9.956 13.768 -4.983 1.00 1.39 O ATOM 192 OE2 GLU A 14 -7.819 13.357 -4.437 1.00 2.01 O ATOM 0 H GLU A 14 -9.262 9.629 -6.669 1.00 0.82 H new ATOM 0 HA GLU A 14 -10.783 9.136 -4.181 1.00 0.90 H new ATOM 0 HB2 GLU A 14 -10.789 11.612 -5.933 1.00 1.05 H new ATOM 0 HB3 GLU A 14 -11.505 11.431 -4.344 1.00 1.05 H new ATOM 0 HG2 GLU A 14 -9.398 11.374 -3.250 1.00 1.08 H new ATOM 0 HG3 GLU A 14 -8.541 10.916 -4.708 1.00 1.08 H new ATOM 199 N GLY A 15 -12.859 8.484 -5.287 1.00 1.00 N ATOM 200 CA GLY A 15 -14.087 8.029 -5.916 1.00 1.17 C ATOM 201 C GLY A 15 -14.611 6.758 -5.242 1.00 0.89 C ATOM 202 O GLY A 15 -15.781 6.686 -4.873 1.00 0.80 O ATOM 0 H GLY A 15 -12.757 8.217 -4.308 1.00 1.00 H new ATOM 0 HA2 GLY A 15 -14.842 8.813 -5.858 1.00 1.17 H new ATOM 0 HA3 GLY A 15 -13.908 7.837 -6.974 1.00 1.17 H new ATOM 206 N ALA A 16 -13.718 5.790 -5.104 1.00 0.98 N ATOM 207 CA ALA A 16 -14.076 4.526 -4.482 1.00 0.95 C ATOM 208 C ALA A 16 -12.806 3.712 -4.227 1.00 1.30 C ATOM 209 O ALA A 16 -11.728 4.070 -4.698 1.00 1.95 O ATOM 210 CB ALA A 16 -15.076 3.784 -5.369 1.00 1.07 C ATOM 0 H ALA A 16 -12.748 5.855 -5.412 1.00 0.98 H new ATOM 0 HA ALA A 16 -14.559 4.695 -3.520 1.00 0.95 H new ATOM 0 HB1 ALA A 16 -15.344 2.836 -4.902 1.00 1.07 H new ATOM 0 HB2 ALA A 16 -15.972 4.392 -5.495 1.00 1.07 H new ATOM 0 HB3 ALA A 16 -14.627 3.594 -6.344 1.00 1.07 H new ATOM 216 N ALA A 17 -12.975 2.629 -3.482 1.00 0.97 N ATOM 217 CA ALA A 17 -11.857 1.760 -3.159 1.00 1.27 C ATOM 218 C ALA A 17 -11.735 0.673 -4.229 1.00 0.98 C ATOM 219 O ALA A 17 -12.737 0.093 -4.646 1.00 0.93 O ATOM 220 CB ALA A 17 -12.050 1.178 -1.756 1.00 1.72 C ATOM 0 H ALA A 17 -13.870 2.334 -3.093 1.00 0.97 H new ATOM 0 HA ALA A 17 -10.924 2.323 -3.153 1.00 1.27 H new ATOM 0 HB1 ALA A 17 -11.211 0.526 -1.514 1.00 1.72 H new ATOM 0 HB2 ALA A 17 -12.101 1.989 -1.029 1.00 1.72 H new ATOM 0 HB3 ALA A 17 -12.976 0.604 -1.724 1.00 1.72 H new ATOM 226 N PRO A 18 -10.467 0.423 -4.652 1.00 0.94 N ATOM 227 CA PRO A 18 -10.201 -0.584 -5.665 1.00 0.80 C ATOM 228 C PRO A 18 -10.322 -1.994 -5.082 1.00 0.72 C ATOM 229 O PRO A 18 -10.420 -2.160 -3.867 1.00 1.17 O ATOM 230 CB PRO A 18 -8.805 -0.270 -6.176 1.00 1.00 C ATOM 231 CG PRO A 18 -8.160 0.606 -5.113 1.00 1.20 C ATOM 232 CD PRO A 18 -9.257 1.089 -4.179 1.00 1.18 C ATOM 0 HA PRO A 18 -10.923 -0.560 -6.481 1.00 0.80 H new ATOM 0 HB2 PRO A 18 -8.231 -1.184 -6.331 1.00 1.00 H new ATOM 0 HB3 PRO A 18 -8.847 0.246 -7.135 1.00 1.00 H new ATOM 0 HG2 PRO A 18 -7.408 0.044 -4.560 1.00 1.20 H new ATOM 0 HG3 PRO A 18 -7.650 1.452 -5.573 1.00 1.20 H new ATOM 0 HD2 PRO A 18 -9.040 0.826 -3.144 1.00 1.18 H new ATOM 0 HD3 PRO A 18 -9.361 2.173 -4.218 1.00 1.18 H new ATOM 240 N ALA A 19 -10.311 -2.973 -5.975 1.00 0.55 N ATOM 241 CA ALA A 19 -10.417 -4.362 -5.564 1.00 0.60 C ATOM 242 C ALA A 19 -9.174 -4.749 -4.762 1.00 0.52 C ATOM 243 O ALA A 19 -9.284 -5.296 -3.666 1.00 0.52 O ATOM 244 CB ALA A 19 -10.613 -5.246 -6.798 1.00 0.80 C ATOM 0 H ALA A 19 -10.230 -2.831 -6.982 1.00 0.55 H new ATOM 0 HA ALA A 19 -11.283 -4.506 -4.918 1.00 0.60 H new ATOM 0 HB1 ALA A 19 -10.693 -6.288 -6.490 1.00 0.80 H new ATOM 0 HB2 ALA A 19 -11.525 -4.950 -7.316 1.00 0.80 H new ATOM 0 HB3 ALA A 19 -9.761 -5.130 -7.468 1.00 0.80 H new ATOM 250 N LYS A 20 -8.019 -4.450 -5.339 1.00 0.48 N ATOM 251 CA LYS A 20 -6.757 -4.761 -4.692 1.00 0.44 C ATOM 252 C LYS A 20 -5.675 -3.812 -5.212 1.00 0.40 C ATOM 253 O LYS A 20 -5.786 -3.284 -6.317 1.00 0.47 O ATOM 254 CB LYS A 20 -6.412 -6.241 -4.869 1.00 0.51 C ATOM 255 CG LYS A 20 -6.537 -6.661 -6.334 1.00 0.69 C ATOM 256 CD LYS A 20 -5.175 -6.624 -7.032 1.00 1.92 C ATOM 257 CE LYS A 20 -5.292 -7.088 -8.486 1.00 2.16 C ATOM 258 NZ LYS A 20 -4.896 -6.001 -9.410 1.00 3.87 N ATOM 0 H LYS A 20 -7.932 -3.995 -6.248 1.00 0.48 H new ATOM 0 HA LYS A 20 -6.833 -4.602 -3.616 1.00 0.44 H new ATOM 0 HB2 LYS A 20 -5.396 -6.426 -4.519 1.00 0.51 H new ATOM 0 HB3 LYS A 20 -7.076 -6.849 -4.255 1.00 0.51 H new ATOM 0 HG2 LYS A 20 -6.953 -7.667 -6.394 1.00 0.69 H new ATOM 0 HG3 LYS A 20 -7.232 -5.997 -6.849 1.00 0.69 H new ATOM 0 HD2 LYS A 20 -4.774 -5.611 -7.001 1.00 1.92 H new ATOM 0 HD3 LYS A 20 -4.471 -7.262 -6.498 1.00 1.92 H new ATOM 0 HE2 LYS A 20 -4.658 -7.960 -8.648 1.00 2.16 H new ATOM 0 HE3 LYS A 20 -6.317 -7.396 -8.695 1.00 2.16 H new ATOM 0 HZ1 LYS A 20 -4.572 -6.411 -10.309 1.00 3.87 H new ATOM 0 HZ2 LYS A 20 -5.712 -5.380 -9.586 1.00 3.87 H new ATOM 0 HZ3 LYS A 20 -4.125 -5.447 -8.985 1.00 3.87 H new ATOM 272 N ILE A 21 -4.653 -3.623 -4.391 1.00 0.35 N ATOM 273 CA ILE A 21 -3.552 -2.747 -4.755 1.00 0.34 C ATOM 274 C ILE A 21 -2.540 -3.528 -5.596 1.00 0.36 C ATOM 275 O ILE A 21 -2.340 -4.723 -5.381 1.00 0.39 O ATOM 276 CB ILE A 21 -2.946 -2.102 -3.507 1.00 0.32 C ATOM 277 CG1 ILE A 21 -3.634 -0.773 -3.188 1.00 0.35 C ATOM 278 CG2 ILE A 21 -1.431 -1.942 -3.652 1.00 0.33 C ATOM 279 CD1 ILE A 21 -4.379 -0.848 -1.854 1.00 0.42 C ATOM 0 H ILE A 21 -4.564 -4.062 -3.474 1.00 0.35 H new ATOM 0 HA ILE A 21 -3.910 -1.922 -5.371 1.00 0.34 H new ATOM 0 HB ILE A 21 -3.120 -2.767 -2.661 1.00 0.32 H new ATOM 0 HG12 ILE A 21 -2.892 0.025 -3.150 1.00 0.35 H new ATOM 0 HG13 ILE A 21 -4.333 -0.521 -3.985 1.00 0.35 H new ATOM 0 HG21 ILE A 21 -1.026 -1.481 -2.751 1.00 0.33 H new ATOM 0 HG22 ILE A 21 -0.974 -2.921 -3.796 1.00 0.33 H new ATOM 0 HG23 ILE A 21 -1.213 -1.310 -4.513 1.00 0.33 H new ATOM 0 HD11 ILE A 21 -4.859 0.109 -1.651 1.00 0.42 H new ATOM 0 HD12 ILE A 21 -5.136 -1.630 -1.904 1.00 0.42 H new ATOM 0 HD13 ILE A 21 -3.673 -1.076 -1.055 1.00 0.42 H new ATOM 291 N GLU A 22 -1.929 -2.822 -6.535 1.00 0.38 N ATOM 292 CA GLU A 22 -0.943 -3.435 -7.410 1.00 0.42 C ATOM 293 C GLU A 22 0.440 -2.837 -7.149 1.00 0.36 C ATOM 294 O GLU A 22 0.558 -1.666 -6.790 1.00 0.31 O ATOM 295 CB GLU A 22 -1.341 -3.278 -8.879 1.00 0.49 C ATOM 296 CG GLU A 22 -1.207 -4.606 -9.627 1.00 0.56 C ATOM 297 CD GLU A 22 -1.356 -4.402 -11.137 1.00 1.17 C ATOM 298 OE1 GLU A 22 -2.363 -3.839 -11.590 1.00 2.41 O ATOM 299 OE2 GLU A 22 -0.377 -4.851 -11.847 1.00 1.73 O ATOM 0 H GLU A 22 -2.097 -1.831 -6.710 1.00 0.38 H new ATOM 0 HA GLU A 22 -0.903 -4.502 -7.191 1.00 0.42 H new ATOM 0 HB2 GLU A 22 -2.369 -2.921 -8.945 1.00 0.49 H new ATOM 0 HB3 GLU A 22 -0.711 -2.525 -9.352 1.00 0.49 H new ATOM 0 HG2 GLU A 22 -0.237 -5.053 -9.411 1.00 0.56 H new ATOM 0 HG3 GLU A 22 -1.966 -5.305 -9.274 1.00 0.56 H new ATOM 306 N LEU A 23 1.455 -3.668 -7.342 1.00 0.41 N ATOM 307 CA LEU A 23 2.827 -3.236 -7.133 1.00 0.40 C ATOM 308 C LEU A 23 3.746 -3.988 -8.096 1.00 0.45 C ATOM 309 O LEU A 23 3.534 -5.170 -8.368 1.00 0.50 O ATOM 310 CB LEU A 23 3.218 -3.391 -5.661 1.00 0.44 C ATOM 311 CG LEU A 23 2.298 -2.709 -4.647 1.00 0.43 C ATOM 312 CD1 LEU A 23 2.458 -3.331 -3.259 1.00 0.48 C ATOM 313 CD2 LEU A 23 2.528 -1.197 -4.628 1.00 0.42 C ATOM 0 H LEU A 23 1.354 -4.638 -7.641 1.00 0.41 H new ATOM 0 HA LEU A 23 2.931 -2.174 -7.357 1.00 0.40 H new ATOM 0 HB2 LEU A 23 3.259 -4.455 -5.427 1.00 0.44 H new ATOM 0 HB3 LEU A 23 4.226 -2.997 -5.530 1.00 0.44 H new ATOM 0 HG LEU A 23 1.266 -2.873 -4.957 1.00 0.43 H new ATOM 0 HD11 LEU A 23 1.793 -2.829 -2.556 1.00 0.48 H new ATOM 0 HD12 LEU A 23 2.205 -4.390 -3.304 1.00 0.48 H new ATOM 0 HD13 LEU A 23 3.490 -3.218 -2.926 1.00 0.48 H new ATOM 0 HD21 LEU A 23 1.861 -0.737 -3.899 1.00 0.42 H new ATOM 0 HD22 LEU A 23 3.563 -0.990 -4.355 1.00 0.42 H new ATOM 0 HD23 LEU A 23 2.324 -0.785 -5.617 1.00 0.42 H new ATOM 325 N HIS A 24 4.748 -3.273 -8.587 1.00 0.46 N ATOM 326 CA HIS A 24 5.701 -3.859 -9.515 1.00 0.52 C ATOM 327 C HIS A 24 7.121 -3.459 -9.113 1.00 0.55 C ATOM 328 O HIS A 24 7.314 -2.481 -8.393 1.00 0.53 O ATOM 329 CB HIS A 24 5.362 -3.473 -10.957 1.00 0.51 C ATOM 330 CG HIS A 24 4.244 -4.287 -11.565 1.00 0.58 C ATOM 331 ND1 HIS A 24 4.459 -5.497 -12.201 1.00 0.71 N ATOM 332 CD2 HIS A 24 2.903 -4.053 -11.625 1.00 0.61 C ATOM 333 CE1 HIS A 24 3.292 -5.961 -12.623 1.00 0.76 C ATOM 334 NE2 HIS A 24 2.329 -5.064 -12.265 1.00 0.70 N ATOM 0 H HIS A 24 4.921 -2.294 -8.360 1.00 0.46 H new ATOM 0 HA HIS A 24 5.640 -4.946 -9.467 1.00 0.52 H new ATOM 0 HB2 HIS A 24 5.086 -2.419 -10.985 1.00 0.51 H new ATOM 0 HB3 HIS A 24 6.255 -3.585 -11.572 1.00 0.51 H new ATOM 0 HD2 HIS A 24 2.394 -3.191 -11.220 1.00 0.61 H new ATOM 0 HE1 HIS A 24 3.132 -6.886 -13.156 1.00 0.76 H new ATOM 0 HE2 HIS A 24 1.331 -5.155 -12.458 1.00 0.70 H new ATOM 342 N PHE A 25 8.080 -4.236 -9.595 1.00 0.68 N ATOM 343 CA PHE A 25 9.477 -3.975 -9.294 1.00 0.73 C ATOM 344 C PHE A 25 10.388 -4.550 -10.380 1.00 0.84 C ATOM 345 O PHE A 25 10.038 -5.530 -11.036 1.00 1.57 O ATOM 346 CB PHE A 25 9.786 -4.670 -7.966 1.00 0.87 C ATOM 347 CG PHE A 25 9.466 -3.825 -6.732 1.00 0.79 C ATOM 348 CD1 PHE A 25 10.408 -2.992 -6.215 1.00 1.85 C ATOM 349 CD2 PHE A 25 8.238 -3.905 -6.152 1.00 1.93 C ATOM 350 CE1 PHE A 25 10.111 -2.207 -5.070 1.00 2.13 C ATOM 351 CE2 PHE A 25 7.941 -3.120 -5.007 1.00 1.87 C ATOM 352 CZ PHE A 25 8.884 -2.288 -4.490 1.00 1.21 C ATOM 0 H PHE A 25 7.917 -5.047 -10.192 1.00 0.68 H new ATOM 0 HA PHE A 25 9.652 -2.900 -9.241 1.00 0.73 H new ATOM 0 HB2 PHE A 25 9.219 -5.600 -7.914 1.00 0.87 H new ATOM 0 HB3 PHE A 25 10.842 -4.939 -7.946 1.00 0.87 H new ATOM 0 HD1 PHE A 25 11.383 -2.927 -6.676 1.00 1.85 H new ATOM 0 HD2 PHE A 25 7.489 -4.566 -6.563 1.00 1.93 H new ATOM 0 HE1 PHE A 25 10.860 -1.546 -4.660 1.00 2.13 H new ATOM 0 HE2 PHE A 25 6.966 -3.184 -4.547 1.00 1.87 H new ATOM 0 HZ PHE A 25 8.658 -1.691 -3.618 1.00 1.21 H new ATOM 362 N SER A 26 11.540 -3.916 -10.538 1.00 0.71 N ATOM 363 CA SER A 26 12.504 -4.351 -11.535 1.00 0.77 C ATOM 364 C SER A 26 13.329 -5.519 -10.988 1.00 1.20 C ATOM 365 O SER A 26 14.008 -6.211 -11.746 1.00 1.38 O ATOM 366 CB SER A 26 13.424 -3.201 -11.952 1.00 1.37 C ATOM 367 OG SER A 26 13.056 -2.655 -13.215 1.00 1.70 O ATOM 0 H SER A 26 11.828 -3.104 -9.992 1.00 0.71 H new ATOM 0 HA SER A 26 11.958 -4.681 -12.419 1.00 0.77 H new ATOM 0 HB2 SER A 26 13.391 -2.418 -11.195 1.00 1.37 H new ATOM 0 HB3 SER A 26 14.453 -3.558 -11.997 1.00 1.37 H new ATOM 0 HG SER A 26 13.666 -1.923 -13.445 1.00 1.70 H new ATOM 373 N GLU A 27 13.243 -5.701 -9.680 1.00 1.63 N ATOM 374 CA GLU A 27 13.973 -6.773 -9.024 1.00 2.42 C ATOM 375 C GLU A 27 13.239 -7.217 -7.757 1.00 2.55 C ATOM 376 O GLU A 27 13.075 -8.413 -7.518 1.00 4.22 O ATOM 377 CB GLU A 27 15.407 -6.344 -8.705 1.00 2.91 C ATOM 378 CG GLU A 27 16.304 -7.562 -8.473 1.00 4.22 C ATOM 379 CD GLU A 27 17.387 -7.255 -7.436 1.00 4.90 C ATOM 380 OE1 GLU A 27 17.087 -6.460 -6.520 1.00 5.00 O ATOM 381 OE2 GLU A 27 18.491 -7.823 -7.585 1.00 5.95 O ATOM 0 H GLU A 27 12.679 -5.125 -9.056 1.00 1.63 H new ATOM 0 HA GLU A 27 14.025 -7.621 -9.706 1.00 2.42 H new ATOM 0 HB2 GLU A 27 15.803 -5.747 -9.526 1.00 2.91 H new ATOM 0 HB3 GLU A 27 15.412 -5.710 -7.819 1.00 2.91 H new ATOM 0 HG2 GLU A 27 15.700 -8.404 -8.135 1.00 4.22 H new ATOM 0 HG3 GLU A 27 16.769 -7.860 -9.413 1.00 4.22 H new ATOM 388 N ASN A 28 12.817 -6.232 -6.979 1.00 1.75 N ATOM 389 CA ASN A 28 12.105 -6.506 -5.743 1.00 2.26 C ATOM 390 C ASN A 28 13.000 -7.329 -4.815 1.00 1.61 C ATOM 391 O ASN A 28 13.718 -6.774 -3.986 1.00 2.08 O ATOM 392 CB ASN A 28 10.831 -7.311 -6.009 1.00 3.61 C ATOM 393 CG ASN A 28 10.284 -7.916 -4.713 1.00 3.87 C ATOM 394 OD1 ASN A 28 10.232 -9.244 -4.716 1.00 4.73 O flip ATOM 395 ND2 ASN A 28 9.932 -7.220 -3.775 1.00 3.32 N flip ATOM 0 H ASN A 28 12.955 -5.242 -7.181 1.00 1.75 H new ATOM 0 HA ASN A 28 11.840 -5.552 -5.287 1.00 2.26 H new ATOM 0 HB2 ASN A 28 10.077 -6.666 -6.460 1.00 3.61 H new ATOM 0 HB3 ASN A 28 11.041 -8.105 -6.725 1.00 3.61 H new ATOM 0 HD21 ASN A 28 9.999 -6.204 -3.840 1.00 3.32 H new ATOM 0 HD22 ASN A 28 9.571 -7.654 -2.926 1.00 3.32 H new ATOM 402 N LEU A 29 12.928 -8.642 -4.987 1.00 1.53 N ATOM 403 CA LEU A 29 13.723 -9.547 -4.175 1.00 2.49 C ATOM 404 C LEU A 29 13.765 -9.032 -2.735 1.00 2.02 C ATOM 405 O LEU A 29 14.745 -8.416 -2.320 1.00 2.96 O ATOM 406 CB LEU A 29 15.107 -9.748 -4.796 1.00 3.95 C ATOM 407 CG LEU A 29 16.201 -10.246 -3.849 1.00 5.43 C ATOM 408 CD1 LEU A 29 16.820 -11.547 -4.363 1.00 6.44 C ATOM 409 CD2 LEU A 29 17.257 -9.164 -3.614 1.00 6.05 C ATOM 0 H LEU A 29 12.332 -9.100 -5.676 1.00 1.53 H new ATOM 0 HA LEU A 29 13.264 -10.535 -4.147 1.00 2.49 H new ATOM 0 HB2 LEU A 29 15.015 -10.458 -5.618 1.00 3.95 H new ATOM 0 HB3 LEU A 29 15.431 -8.801 -5.227 1.00 3.95 H new ATOM 0 HG LEU A 29 15.744 -10.465 -2.884 1.00 5.43 H new ATOM 0 HD11 LEU A 29 17.595 -11.879 -3.672 1.00 6.44 H new ATOM 0 HD12 LEU A 29 16.048 -12.313 -4.438 1.00 6.44 H new ATOM 0 HD13 LEU A 29 17.259 -11.377 -5.346 1.00 6.44 H new ATOM 0 HD21 LEU A 29 18.023 -9.544 -2.938 1.00 6.05 H new ATOM 0 HD22 LEU A 29 17.716 -8.891 -4.564 1.00 6.05 H new ATOM 0 HD23 LEU A 29 16.786 -8.286 -3.172 1.00 6.05 H new ATOM 421 N VAL A 30 12.687 -9.302 -2.013 1.00 1.62 N ATOM 422 CA VAL A 30 12.588 -8.873 -0.628 1.00 1.85 C ATOM 423 C VAL A 30 13.802 -9.386 0.148 1.00 1.95 C ATOM 424 O VAL A 30 14.718 -8.623 0.449 1.00 2.97 O ATOM 425 CB VAL A 30 11.257 -9.337 -0.031 1.00 3.25 C ATOM 426 CG1 VAL A 30 11.184 -9.013 1.463 1.00 3.42 C ATOM 427 CG2 VAL A 30 10.075 -8.723 -0.784 1.00 4.99 C ATOM 0 H VAL A 30 11.875 -9.812 -2.361 1.00 1.62 H new ATOM 0 HA VAL A 30 12.597 -7.785 -0.563 1.00 1.85 H new ATOM 0 HB VAL A 30 11.199 -10.420 -0.142 1.00 3.25 H new ATOM 0 HG11 VAL A 30 10.229 -9.353 1.863 1.00 3.42 H new ATOM 0 HG12 VAL A 30 11.996 -9.519 1.985 1.00 3.42 H new ATOM 0 HG13 VAL A 30 11.275 -7.936 1.607 1.00 3.42 H new ATOM 0 HG21 VAL A 30 9.142 -9.069 -0.340 1.00 4.99 H new ATOM 0 HG22 VAL A 30 10.127 -7.636 -0.719 1.00 4.99 H new ATOM 0 HG23 VAL A 30 10.113 -9.026 -1.830 1.00 4.99 H new ATOM 437 N THR A 31 13.770 -10.675 0.451 1.00 2.16 N ATOM 438 CA THR A 31 14.857 -11.299 1.187 1.00 3.61 C ATOM 439 C THR A 31 15.225 -10.457 2.409 1.00 3.38 C ATOM 440 O THR A 31 16.344 -10.542 2.912 1.00 4.54 O ATOM 441 CB THR A 31 16.024 -11.507 0.219 1.00 5.04 C ATOM 442 OG1 THR A 31 16.991 -12.218 0.989 1.00 6.64 O ATOM 443 CG2 THR A 31 16.726 -10.197 -0.143 1.00 5.71 C ATOM 0 H THR A 31 13.008 -11.305 0.200 1.00 2.16 H new ATOM 0 HA THR A 31 14.562 -12.273 1.579 1.00 3.61 H new ATOM 0 HB THR A 31 15.660 -11.986 -0.690 1.00 5.04 H new ATOM 0 HG1 THR A 31 17.147 -11.747 1.834 1.00 6.64 H new ATOM 0 HG21 THR A 31 17.546 -10.402 -0.832 1.00 5.71 H new ATOM 0 HG22 THR A 31 16.014 -9.521 -0.617 1.00 5.71 H new ATOM 0 HG23 THR A 31 17.119 -9.733 0.761 1.00 5.71 H new ATOM 451 N GLN A 32 14.261 -9.664 2.853 1.00 2.23 N ATOM 452 CA GLN A 32 14.470 -8.808 4.009 1.00 2.21 C ATOM 453 C GLN A 32 13.158 -8.618 4.773 1.00 1.88 C ATOM 454 O GLN A 32 12.362 -9.550 4.888 1.00 2.78 O ATOM 455 CB GLN A 32 15.060 -7.458 3.592 1.00 2.60 C ATOM 456 CG GLN A 32 15.910 -6.862 4.715 1.00 3.78 C ATOM 457 CD GLN A 32 17.337 -6.589 4.237 1.00 5.12 C ATOM 458 OE1 GLN A 32 17.890 -5.518 4.429 1.00 6.36 O ATOM 459 NE2 GLN A 32 17.902 -7.615 3.606 1.00 5.37 N ATOM 0 H GLN A 32 13.334 -9.596 2.434 1.00 2.23 H new ATOM 0 HA GLN A 32 15.187 -9.294 4.671 1.00 2.21 H new ATOM 0 HB2 GLN A 32 15.670 -7.584 2.697 1.00 2.60 H new ATOM 0 HB3 GLN A 32 14.255 -6.769 3.335 1.00 2.60 H new ATOM 0 HG2 GLN A 32 15.457 -5.935 5.066 1.00 3.78 H new ATOM 0 HG3 GLN A 32 15.931 -7.547 5.562 1.00 3.78 H new ATOM 0 HE21 GLN A 32 17.383 -8.484 3.479 1.00 5.37 H new ATOM 0 HE22 GLN A 32 18.854 -7.533 3.249 1.00 5.37 H new ATOM 468 N PHE A 33 12.972 -7.407 5.276 1.00 1.79 N ATOM 469 CA PHE A 33 11.770 -7.084 6.026 1.00 1.86 C ATOM 470 C PHE A 33 10.916 -6.058 5.280 1.00 1.50 C ATOM 471 O PHE A 33 10.591 -5.002 5.822 1.00 1.74 O ATOM 472 CB PHE A 33 12.222 -6.482 7.358 1.00 2.82 C ATOM 473 CG PHE A 33 12.650 -7.519 8.398 1.00 3.35 C ATOM 474 CD1 PHE A 33 11.791 -8.509 8.764 1.00 4.39 C ATOM 475 CD2 PHE A 33 13.888 -7.453 8.957 1.00 3.49 C ATOM 476 CE1 PHE A 33 12.188 -9.473 9.727 1.00 4.94 C ATOM 477 CE2 PHE A 33 14.284 -8.418 9.921 1.00 3.96 C ATOM 478 CZ PHE A 33 13.425 -9.406 10.286 1.00 4.44 C ATOM 0 H PHE A 33 13.634 -6.637 5.179 1.00 1.79 H new ATOM 0 HA PHE A 33 11.169 -7.982 6.168 1.00 1.86 H new ATOM 0 HB2 PHE A 33 13.054 -5.803 7.174 1.00 2.82 H new ATOM 0 HB3 PHE A 33 11.408 -5.885 7.769 1.00 2.82 H new ATOM 0 HD1 PHE A 33 10.807 -8.561 8.322 1.00 4.39 H new ATOM 0 HD2 PHE A 33 14.570 -6.667 8.668 1.00 3.49 H new ATOM 0 HE1 PHE A 33 11.507 -10.260 10.016 1.00 4.94 H new ATOM 0 HE2 PHE A 33 15.268 -8.367 10.364 1.00 3.96 H new ATOM 0 HZ PHE A 33 13.726 -10.138 11.021 1.00 4.44 H new ATOM 488 N SER A 34 10.577 -6.402 4.045 1.00 1.09 N ATOM 489 CA SER A 34 9.769 -5.524 3.219 1.00 0.84 C ATOM 490 C SER A 34 8.285 -5.855 3.398 1.00 0.70 C ATOM 491 O SER A 34 7.942 -6.894 3.960 1.00 0.91 O ATOM 492 CB SER A 34 10.162 -5.637 1.745 1.00 0.88 C ATOM 493 OG SER A 34 9.364 -4.800 0.913 1.00 1.51 O ATOM 0 H SER A 34 10.848 -7.278 3.598 1.00 1.09 H new ATOM 0 HA SER A 34 9.948 -4.497 3.537 1.00 0.84 H new ATOM 0 HB2 SER A 34 11.212 -5.369 1.628 1.00 0.88 H new ATOM 0 HB3 SER A 34 10.060 -6.673 1.421 1.00 0.88 H new ATOM 0 HG SER A 34 9.133 -3.981 1.398 1.00 1.51 H new ATOM 499 N GLY A 35 7.447 -4.953 2.911 1.00 0.60 N ATOM 500 CA GLY A 35 6.009 -5.137 3.010 1.00 0.70 C ATOM 501 C GLY A 35 5.283 -3.790 3.007 1.00 0.64 C ATOM 502 O GLY A 35 5.918 -2.737 2.964 1.00 0.91 O ATOM 0 H GLY A 35 7.736 -4.092 2.446 1.00 0.60 H new ATOM 0 HA2 GLY A 35 5.658 -5.745 2.176 1.00 0.70 H new ATOM 0 HA3 GLY A 35 5.770 -5.681 3.924 1.00 0.70 H new ATOM 506 N ALA A 36 3.961 -3.866 3.054 1.00 0.61 N ATOM 507 CA ALA A 36 3.141 -2.667 3.056 1.00 0.59 C ATOM 508 C ALA A 36 1.994 -2.840 4.053 1.00 0.59 C ATOM 509 O ALA A 36 1.742 -3.947 4.528 1.00 0.70 O ATOM 510 CB ALA A 36 2.643 -2.385 1.636 1.00 0.81 C ATOM 0 H ALA A 36 3.437 -4.740 3.091 1.00 0.61 H new ATOM 0 HA ALA A 36 3.726 -1.803 3.373 1.00 0.59 H new ATOM 0 HB1 ALA A 36 2.028 -1.485 1.638 1.00 0.81 H new ATOM 0 HB2 ALA A 36 3.496 -2.240 0.973 1.00 0.81 H new ATOM 0 HB3 ALA A 36 2.050 -3.229 1.284 1.00 0.81 H new ATOM 516 N LYS A 37 1.328 -1.731 4.340 1.00 0.54 N ATOM 517 CA LYS A 37 0.213 -1.747 5.271 1.00 0.59 C ATOM 518 C LYS A 37 -0.719 -0.572 4.966 1.00 0.54 C ATOM 519 O LYS A 37 -0.269 0.567 4.851 1.00 0.52 O ATOM 520 CB LYS A 37 0.721 -1.770 6.714 1.00 0.66 C ATOM 521 CG LYS A 37 0.833 -3.205 7.233 1.00 0.90 C ATOM 522 CD LYS A 37 0.041 -3.382 8.531 1.00 1.62 C ATOM 523 CE LYS A 37 0.307 -4.755 9.151 1.00 2.20 C ATOM 524 NZ LYS A 37 1.550 -4.729 9.954 1.00 2.45 N ATOM 0 H LYS A 37 1.540 -0.815 3.944 1.00 0.54 H new ATOM 0 HA LYS A 37 -0.372 -2.658 5.148 1.00 0.59 H new ATOM 0 HB2 LYS A 37 1.695 -1.283 6.768 1.00 0.66 H new ATOM 0 HB3 LYS A 37 0.044 -1.201 7.351 1.00 0.66 H new ATOM 0 HG2 LYS A 37 0.461 -3.898 6.479 1.00 0.90 H new ATOM 0 HG3 LYS A 37 1.880 -3.453 7.405 1.00 0.90 H new ATOM 0 HD2 LYS A 37 0.316 -2.600 9.239 1.00 1.62 H new ATOM 0 HD3 LYS A 37 -1.024 -3.270 8.330 1.00 1.62 H new ATOM 0 HE2 LYS A 37 -0.534 -5.045 9.781 1.00 2.20 H new ATOM 0 HE3 LYS A 37 0.390 -5.506 8.365 1.00 2.20 H new ATOM 0 HZ1 LYS A 37 1.716 -5.669 10.368 1.00 2.45 H new ATOM 0 HZ2 LYS A 37 2.352 -4.473 9.344 1.00 2.45 H new ATOM 0 HZ3 LYS A 37 1.457 -4.027 10.716 1.00 2.45 H new ATOM 538 N LEU A 38 -1.998 -0.890 4.841 1.00 0.56 N ATOM 539 CA LEU A 38 -2.997 0.125 4.551 1.00 0.55 C ATOM 540 C LEU A 38 -3.646 0.585 5.859 1.00 0.53 C ATOM 541 O LEU A 38 -4.021 -0.237 6.693 1.00 0.62 O ATOM 542 CB LEU A 38 -3.998 -0.390 3.515 1.00 0.67 C ATOM 543 CG LEU A 38 -5.213 0.504 3.257 1.00 0.76 C ATOM 544 CD1 LEU A 38 -4.782 1.938 2.942 1.00 0.83 C ATOM 545 CD2 LEU A 38 -6.100 -0.083 2.155 1.00 0.95 C ATOM 0 H LEU A 38 -2.367 -1.836 4.935 1.00 0.56 H new ATOM 0 HA LEU A 38 -2.531 1.002 4.101 1.00 0.55 H new ATOM 0 HB2 LEU A 38 -3.472 -0.536 2.572 1.00 0.67 H new ATOM 0 HB3 LEU A 38 -4.353 -1.369 3.837 1.00 0.67 H new ATOM 0 HG LEU A 38 -5.811 0.540 4.168 1.00 0.76 H new ATOM 0 HD11 LEU A 38 -5.665 2.552 2.763 1.00 0.83 H new ATOM 0 HD12 LEU A 38 -4.223 2.343 3.785 1.00 0.83 H new ATOM 0 HD13 LEU A 38 -4.151 1.941 2.053 1.00 0.83 H new ATOM 0 HD21 LEU A 38 -6.957 0.571 1.991 1.00 0.95 H new ATOM 0 HD22 LEU A 38 -5.526 -0.168 1.232 1.00 0.95 H new ATOM 0 HD23 LEU A 38 -6.450 -1.070 2.457 1.00 0.95 H new ATOM 557 N VAL A 39 -3.757 1.898 5.997 1.00 0.51 N ATOM 558 CA VAL A 39 -4.354 2.477 7.188 1.00 0.53 C ATOM 559 C VAL A 39 -5.544 3.351 6.784 1.00 0.50 C ATOM 560 O VAL A 39 -5.481 4.068 5.787 1.00 0.48 O ATOM 561 CB VAL A 39 -3.295 3.241 7.985 1.00 0.55 C ATOM 562 CG1 VAL A 39 -2.080 2.356 8.270 1.00 0.60 C ATOM 563 CG2 VAL A 39 -2.882 4.523 7.261 1.00 0.56 C ATOM 0 H VAL A 39 -3.444 2.577 5.304 1.00 0.51 H new ATOM 0 HA VAL A 39 -4.734 1.694 7.844 1.00 0.53 H new ATOM 0 HB VAL A 39 -3.735 3.524 8.941 1.00 0.55 H new ATOM 0 HG11 VAL A 39 -1.342 2.923 8.838 1.00 0.60 H new ATOM 0 HG12 VAL A 39 -2.391 1.485 8.847 1.00 0.60 H new ATOM 0 HG13 VAL A 39 -1.640 2.028 7.328 1.00 0.60 H new ATOM 0 HG21 VAL A 39 -2.128 5.047 7.849 1.00 0.56 H new ATOM 0 HG22 VAL A 39 -2.470 4.272 6.284 1.00 0.56 H new ATOM 0 HG23 VAL A 39 -3.753 5.165 7.133 1.00 0.56 H new ATOM 573 N MET A 40 -6.600 3.261 7.580 1.00 0.55 N ATOM 574 CA MET A 40 -7.801 4.034 7.318 1.00 0.58 C ATOM 575 C MET A 40 -7.786 5.351 8.097 1.00 0.63 C ATOM 576 O MET A 40 -8.152 5.386 9.271 1.00 0.71 O ATOM 577 CB MET A 40 -9.031 3.218 7.718 1.00 0.66 C ATOM 578 CG MET A 40 -10.298 4.074 7.668 1.00 0.74 C ATOM 579 SD MET A 40 -10.859 4.434 9.324 1.00 1.15 S ATOM 580 CE MET A 40 -12.227 3.292 9.443 1.00 2.26 C ATOM 0 H MET A 40 -6.648 2.665 8.406 1.00 0.55 H new ATOM 0 HA MET A 40 -7.837 4.264 6.253 1.00 0.58 H new ATOM 0 HB2 MET A 40 -9.138 2.364 7.049 1.00 0.66 H new ATOM 0 HB3 MET A 40 -8.896 2.820 8.724 1.00 0.66 H new ATOM 0 HG2 MET A 40 -10.098 5.003 7.133 1.00 0.74 H new ATOM 0 HG3 MET A 40 -11.079 3.550 7.117 1.00 0.74 H new ATOM 0 HE1 MET A 40 -12.695 3.386 10.423 1.00 2.26 H new ATOM 0 HE2 MET A 40 -12.959 3.519 8.668 1.00 2.26 H new ATOM 0 HE3 MET A 40 -11.863 2.273 9.311 1.00 2.26 H new ATOM 590 N THR A 41 -7.360 6.402 7.411 1.00 0.61 N ATOM 591 CA THR A 41 -7.294 7.718 8.024 1.00 0.69 C ATOM 592 C THR A 41 -8.246 8.684 7.317 1.00 0.69 C ATOM 593 O THR A 41 -7.819 9.484 6.485 1.00 0.83 O ATOM 594 CB THR A 41 -5.834 8.177 8.001 1.00 0.79 C ATOM 595 OG1 THR A 41 -5.861 9.451 8.639 1.00 0.92 O ATOM 596 CG2 THR A 41 -5.338 8.479 6.585 1.00 0.85 C ATOM 0 H THR A 41 -7.057 6.369 6.437 1.00 0.61 H new ATOM 0 HA THR A 41 -7.624 7.688 9.062 1.00 0.69 H new ATOM 0 HB THR A 41 -5.204 7.409 8.450 1.00 0.79 H new ATOM 0 HG1 THR A 41 -4.954 9.821 8.669 1.00 0.92 H new ATOM 0 HG21 THR A 41 -4.297 8.800 6.625 1.00 0.85 H new ATOM 0 HG22 THR A 41 -5.417 7.581 5.972 1.00 0.85 H new ATOM 0 HG23 THR A 41 -5.946 9.271 6.148 1.00 0.85 H new ATOM 604 N ALA A 42 -9.517 8.580 7.675 1.00 0.70 N ATOM 605 CA ALA A 42 -10.534 9.434 7.085 1.00 0.75 C ATOM 606 C ALA A 42 -10.090 10.895 7.191 1.00 0.87 C ATOM 607 O ALA A 42 -9.007 11.183 7.699 1.00 2.04 O ATOM 608 CB ALA A 42 -11.876 9.181 7.774 1.00 1.13 C ATOM 0 H ALA A 42 -9.866 7.917 8.367 1.00 0.70 H new ATOM 0 HA ALA A 42 -10.663 9.204 6.027 1.00 0.75 H new ATOM 0 HB1 ALA A 42 -12.639 9.822 7.331 1.00 1.13 H new ATOM 0 HB2 ALA A 42 -12.160 8.137 7.645 1.00 1.13 H new ATOM 0 HB3 ALA A 42 -11.787 9.404 8.837 1.00 1.13 H new ATOM 614 N MET A 43 -10.949 11.777 6.705 1.00 1.56 N ATOM 615 CA MET A 43 -10.659 13.201 6.739 1.00 2.08 C ATOM 616 C MET A 43 -9.946 13.585 8.037 1.00 2.13 C ATOM 617 O MET A 43 -10.295 13.094 9.109 1.00 2.14 O ATOM 618 CB MET A 43 -11.964 13.992 6.618 1.00 2.71 C ATOM 619 CG MET A 43 -12.036 14.731 5.281 1.00 3.53 C ATOM 620 SD MET A 43 -13.575 15.626 5.161 1.00 4.17 S ATOM 621 CE MET A 43 -13.304 16.878 6.404 1.00 4.03 C ATOM 0 H MET A 43 -11.846 11.534 6.285 1.00 1.56 H new ATOM 0 HA MET A 43 -10.002 13.439 5.902 1.00 2.08 H new ATOM 0 HB2 MET A 43 -12.813 13.315 6.709 1.00 2.71 H new ATOM 0 HB3 MET A 43 -12.037 14.707 7.437 1.00 2.71 H new ATOM 0 HG2 MET A 43 -11.197 15.421 5.192 1.00 3.53 H new ATOM 0 HG3 MET A 43 -11.954 14.021 4.458 1.00 3.53 H new ATOM 0 HE1 MET A 43 -13.954 17.731 6.209 1.00 4.03 H new ATOM 0 HE2 MET A 43 -13.529 16.468 7.389 1.00 4.03 H new ATOM 0 HE3 MET A 43 -12.263 17.200 6.375 1.00 4.03 H new ATOM 631 N PRO A 44 -8.936 14.484 7.894 1.00 2.45 N ATOM 632 CA PRO A 44 -8.172 14.939 9.043 1.00 2.66 C ATOM 633 C PRO A 44 -8.981 15.930 9.882 1.00 3.23 C ATOM 634 O PRO A 44 -9.018 17.122 9.577 1.00 3.95 O ATOM 635 CB PRO A 44 -6.908 15.549 8.458 1.00 3.04 C ATOM 636 CG PRO A 44 -7.220 15.832 6.998 1.00 3.31 C ATOM 637 CD PRO A 44 -8.496 15.088 6.641 1.00 2.89 C ATOM 0 HA PRO A 44 -7.927 14.131 9.732 1.00 2.66 H new ATOM 0 HB2 PRO A 44 -6.636 16.464 8.984 1.00 3.04 H new ATOM 0 HB3 PRO A 44 -6.064 14.865 8.552 1.00 3.04 H new ATOM 0 HG2 PRO A 44 -7.344 16.903 6.835 1.00 3.31 H new ATOM 0 HG3 PRO A 44 -6.397 15.506 6.362 1.00 3.31 H new ATOM 0 HD2 PRO A 44 -9.251 15.765 6.242 1.00 2.89 H new ATOM 0 HD3 PRO A 44 -8.313 14.330 5.879 1.00 2.89 H new ATOM 645 N GLY A 45 -9.609 15.402 10.923 1.00 3.22 N ATOM 646 CA GLY A 45 -10.415 16.225 11.807 1.00 3.89 C ATOM 647 C GLY A 45 -10.947 15.406 12.985 1.00 3.59 C ATOM 648 O GLY A 45 -12.110 15.540 13.364 1.00 4.12 O ATOM 0 H GLY A 45 -9.575 14.414 11.173 1.00 3.22 H new ATOM 0 HA2 GLY A 45 -9.818 17.058 12.179 1.00 3.89 H new ATOM 0 HA3 GLY A 45 -11.249 16.653 11.251 1.00 3.89 H new ATOM 652 N MET A 46 -10.071 14.576 13.531 1.00 3.34 N ATOM 653 CA MET A 46 -10.438 13.735 14.658 1.00 3.70 C ATOM 654 C MET A 46 -9.238 13.491 15.574 1.00 3.38 C ATOM 655 O MET A 46 -8.834 12.347 15.781 1.00 3.76 O ATOM 656 CB MET A 46 -10.970 12.396 14.143 1.00 4.82 C ATOM 657 CG MET A 46 -12.488 12.443 13.958 1.00 5.78 C ATOM 658 SD MET A 46 -13.284 11.414 15.180 1.00 6.71 S ATOM 659 CE MET A 46 -14.694 12.435 15.575 1.00 7.21 C ATOM 0 H MET A 46 -9.108 14.468 13.214 1.00 3.34 H new ATOM 0 HA MET A 46 -11.210 14.246 15.233 1.00 3.70 H new ATOM 0 HB2 MET A 46 -10.492 12.151 13.194 1.00 4.82 H new ATOM 0 HB3 MET A 46 -10.710 11.603 14.845 1.00 4.82 H new ATOM 0 HG2 MET A 46 -12.842 13.470 14.049 1.00 5.78 H new ATOM 0 HG3 MET A 46 -12.751 12.103 12.957 1.00 5.78 H new ATOM 0 HE1 MET A 46 -15.303 11.938 16.330 1.00 7.21 H new ATOM 0 HE2 MET A 46 -14.351 13.395 15.960 1.00 7.21 H new ATOM 0 HE3 MET A 46 -15.290 12.596 14.676 1.00 7.21 H new ATOM 669 N GLU A 47 -8.700 14.583 16.096 1.00 3.13 N ATOM 670 CA GLU A 47 -7.554 14.502 16.986 1.00 3.60 C ATOM 671 C GLU A 47 -6.587 13.417 16.506 1.00 3.53 C ATOM 672 O GLU A 47 -6.060 12.650 17.311 1.00 4.20 O ATOM 673 CB GLU A 47 -7.995 14.244 18.427 1.00 4.75 C ATOM 674 CG GLU A 47 -7.510 15.358 19.356 1.00 5.59 C ATOM 675 CD GLU A 47 -8.020 15.145 20.783 1.00 7.37 C ATOM 676 OE1 GLU A 47 -7.449 14.185 21.428 1.00 7.94 O ATOM 677 OE2 GLU A 47 -8.918 15.869 21.236 1.00 8.51 O ATOM 0 H GLU A 47 -9.037 15.530 15.920 1.00 3.13 H new ATOM 0 HA GLU A 47 -7.035 15.460 16.967 1.00 3.60 H new ATOM 0 HB2 GLU A 47 -9.082 14.176 18.472 1.00 4.75 H new ATOM 0 HB3 GLU A 47 -7.601 13.286 18.766 1.00 4.75 H new ATOM 0 HG2 GLU A 47 -6.420 15.387 19.356 1.00 5.59 H new ATOM 0 HG3 GLU A 47 -7.855 16.323 18.983 1.00 5.59 H new ATOM 684 N HIS A 48 -6.382 13.387 15.198 1.00 2.89 N ATOM 685 CA HIS A 48 -5.488 12.409 14.602 1.00 2.91 C ATOM 686 C HIS A 48 -5.733 11.038 15.235 1.00 2.78 C ATOM 687 O HIS A 48 -5.082 10.677 16.215 1.00 3.42 O ATOM 688 CB HIS A 48 -4.032 12.864 14.717 1.00 3.72 C ATOM 689 CG HIS A 48 -3.585 13.779 13.602 1.00 4.02 C ATOM 690 ND1 HIS A 48 -3.354 13.333 12.313 1.00 4.20 N ATOM 691 CD2 HIS A 48 -3.329 15.119 13.597 1.00 5.24 C ATOM 692 CE1 HIS A 48 -2.977 14.365 11.574 1.00 5.13 C ATOM 693 NE2 HIS A 48 -2.961 15.471 12.372 1.00 5.75 N ATOM 0 H HIS A 48 -6.820 14.025 14.533 1.00 2.89 H new ATOM 0 HA HIS A 48 -5.697 12.321 13.536 1.00 2.91 H new ATOM 0 HB2 HIS A 48 -3.896 13.376 15.670 1.00 3.72 H new ATOM 0 HB3 HIS A 48 -3.387 11.985 14.732 1.00 3.72 H new ATOM 0 HD2 HIS A 48 -3.412 15.781 14.446 1.00 5.24 H new ATOM 0 HE1 HIS A 48 -2.726 14.336 10.524 1.00 5.13 H new ATOM 0 HE2 HIS A 48 -2.708 16.414 12.076 1.00 5.75 H new ATOM 701 N SER A 49 -6.672 10.310 14.648 1.00 2.21 N ATOM 702 CA SER A 49 -7.010 8.986 15.142 1.00 2.35 C ATOM 703 C SER A 49 -6.987 7.977 13.992 1.00 1.85 C ATOM 704 O SER A 49 -8.034 7.487 13.570 1.00 1.73 O ATOM 705 CB SER A 49 -8.381 8.986 15.821 1.00 2.80 C ATOM 706 OG SER A 49 -8.298 9.369 17.191 1.00 3.46 O ATOM 0 H SER A 49 -7.209 10.612 13.835 1.00 2.21 H new ATOM 0 HA SER A 49 -6.266 8.697 15.885 1.00 2.35 H new ATOM 0 HB2 SER A 49 -9.047 9.669 15.293 1.00 2.80 H new ATOM 0 HB3 SER A 49 -8.821 7.992 15.749 1.00 2.80 H new ATOM 0 HG SER A 49 -9.194 9.358 17.588 1.00 3.46 H new ATOM 712 N PRO A 50 -5.750 7.688 13.506 1.00 1.75 N ATOM 713 CA PRO A 50 -5.577 6.745 12.413 1.00 1.45 C ATOM 714 C PRO A 50 -5.761 5.305 12.896 1.00 1.28 C ATOM 715 O PRO A 50 -5.733 5.041 14.097 1.00 1.72 O ATOM 716 CB PRO A 50 -4.182 7.018 11.876 1.00 1.74 C ATOM 717 CG PRO A 50 -3.452 7.774 12.975 1.00 2.13 C ATOM 718 CD PRO A 50 -4.489 8.248 13.981 1.00 2.14 C ATOM 0 HA PRO A 50 -6.323 6.869 11.628 1.00 1.45 H new ATOM 0 HB2 PRO A 50 -3.668 6.088 11.634 1.00 1.74 H new ATOM 0 HB3 PRO A 50 -4.225 7.606 10.959 1.00 1.74 H new ATOM 0 HG2 PRO A 50 -2.717 7.130 13.458 1.00 2.13 H new ATOM 0 HG3 PRO A 50 -2.908 8.622 12.559 1.00 2.13 H new ATOM 0 HD2 PRO A 50 -4.254 7.898 14.986 1.00 2.14 H new ATOM 0 HD3 PRO A 50 -4.530 9.336 14.024 1.00 2.14 H new ATOM 726 N MET A 51 -5.946 4.412 11.936 1.00 0.92 N ATOM 727 CA MET A 51 -6.135 3.006 12.248 1.00 0.92 C ATOM 728 C MET A 51 -5.651 2.119 11.100 1.00 0.79 C ATOM 729 O MET A 51 -5.748 2.499 9.933 1.00 1.03 O ATOM 730 CB MET A 51 -7.618 2.735 12.511 1.00 1.06 C ATOM 731 CG MET A 51 -7.907 2.677 14.013 1.00 1.75 C ATOM 732 SD MET A 51 -9.480 3.443 14.363 1.00 1.69 S ATOM 733 CE MET A 51 -10.260 2.138 15.298 1.00 2.88 C ATOM 0 H MET A 51 -5.969 4.635 10.941 1.00 0.92 H new ATOM 0 HA MET A 51 -5.550 2.770 13.137 1.00 0.92 H new ATOM 0 HB2 MET A 51 -8.222 3.517 12.051 1.00 1.06 H new ATOM 0 HB3 MET A 51 -7.908 1.793 12.045 1.00 1.06 H new ATOM 0 HG2 MET A 51 -7.915 1.640 14.350 1.00 1.75 H new ATOM 0 HG3 MET A 51 -7.115 3.185 14.564 1.00 1.75 H new ATOM 0 HE1 MET A 51 -11.259 2.453 15.598 1.00 2.88 H new ATOM 0 HE2 MET A 51 -10.332 1.242 14.682 1.00 2.88 H new ATOM 0 HE3 MET A 51 -9.666 1.921 16.186 1.00 2.88 H new ATOM 743 N ALA A 52 -5.141 0.954 11.469 1.00 0.79 N ATOM 744 CA ALA A 52 -4.640 0.010 10.484 1.00 0.70 C ATOM 745 C ALA A 52 -5.784 -0.899 10.029 1.00 0.70 C ATOM 746 O ALA A 52 -6.703 -1.179 10.797 1.00 0.78 O ATOM 747 CB ALA A 52 -3.472 -0.778 11.079 1.00 0.83 C ATOM 0 H ALA A 52 -5.064 0.642 12.437 1.00 0.79 H new ATOM 0 HA ALA A 52 -4.265 0.535 9.605 1.00 0.70 H new ATOM 0 HB1 ALA A 52 -3.097 -1.486 10.340 1.00 0.83 H new ATOM 0 HB2 ALA A 52 -2.675 -0.090 11.360 1.00 0.83 H new ATOM 0 HB3 ALA A 52 -3.811 -1.321 11.961 1.00 0.83 H new ATOM 753 N VAL A 53 -5.691 -1.334 8.781 1.00 0.66 N ATOM 754 CA VAL A 53 -6.706 -2.206 8.214 1.00 0.71 C ATOM 755 C VAL A 53 -6.187 -3.644 8.199 1.00 0.68 C ATOM 756 O VAL A 53 -4.978 -3.872 8.182 1.00 0.82 O ATOM 757 CB VAL A 53 -7.112 -1.703 6.827 1.00 0.84 C ATOM 758 CG1 VAL A 53 -6.031 -2.019 5.791 1.00 0.89 C ATOM 759 CG2 VAL A 53 -8.463 -2.285 6.406 1.00 1.11 C ATOM 0 H VAL A 53 -4.928 -1.099 8.146 1.00 0.66 H new ATOM 0 HA VAL A 53 -7.607 -2.192 8.827 1.00 0.71 H new ATOM 0 HB VAL A 53 -7.217 -0.619 6.881 1.00 0.84 H new ATOM 0 HG11 VAL A 53 -6.345 -1.651 4.814 1.00 0.89 H new ATOM 0 HG12 VAL A 53 -5.098 -1.534 6.079 1.00 0.89 H new ATOM 0 HG13 VAL A 53 -5.879 -3.097 5.741 1.00 0.89 H new ATOM 0 HG21 VAL A 53 -8.728 -1.911 5.417 1.00 1.11 H new ATOM 0 HG22 VAL A 53 -8.398 -3.373 6.378 1.00 1.11 H new ATOM 0 HG23 VAL A 53 -9.227 -1.986 7.123 1.00 1.11 H new ATOM 769 N LYS A 54 -7.126 -4.579 8.206 1.00 0.65 N ATOM 770 CA LYS A 54 -6.778 -5.989 8.194 1.00 0.66 C ATOM 771 C LYS A 54 -6.624 -6.460 6.747 1.00 0.67 C ATOM 772 O LYS A 54 -7.562 -7.000 6.162 1.00 1.00 O ATOM 773 CB LYS A 54 -7.797 -6.799 8.998 1.00 0.73 C ATOM 774 CG LYS A 54 -7.364 -6.926 10.461 1.00 1.90 C ATOM 775 CD LYS A 54 -8.540 -7.344 11.346 1.00 2.04 C ATOM 776 CE LYS A 54 -8.075 -8.269 12.473 1.00 3.19 C ATOM 777 NZ LYS A 54 -8.772 -9.573 12.394 1.00 3.24 N ATOM 0 H LYS A 54 -8.128 -4.387 8.220 1.00 0.65 H new ATOM 0 HA LYS A 54 -5.818 -6.148 8.686 1.00 0.66 H new ATOM 0 HB2 LYS A 54 -8.774 -6.318 8.944 1.00 0.73 H new ATOM 0 HB3 LYS A 54 -7.906 -7.791 8.560 1.00 0.73 H new ATOM 0 HG2 LYS A 54 -6.562 -7.660 10.544 1.00 1.90 H new ATOM 0 HG3 LYS A 54 -6.962 -5.974 10.809 1.00 1.90 H new ATOM 0 HD2 LYS A 54 -9.014 -6.459 11.769 1.00 2.04 H new ATOM 0 HD3 LYS A 54 -9.293 -7.851 10.742 1.00 2.04 H new ATOM 0 HE2 LYS A 54 -6.998 -8.421 12.406 1.00 3.19 H new ATOM 0 HE3 LYS A 54 -8.271 -7.803 13.439 1.00 3.19 H new ATOM 0 HZ1 LYS A 54 -8.445 -10.189 13.166 1.00 3.24 H new ATOM 0 HZ2 LYS A 54 -9.798 -9.424 12.481 1.00 3.24 H new ATOM 0 HZ3 LYS A 54 -8.564 -10.023 11.480 1.00 3.24 H new ATOM 791 N ALA A 55 -5.434 -6.238 6.209 1.00 0.57 N ATOM 792 CA ALA A 55 -5.146 -6.633 4.840 1.00 0.54 C ATOM 793 C ALA A 55 -3.860 -7.462 4.814 1.00 0.54 C ATOM 794 O ALA A 55 -3.188 -7.605 5.834 1.00 0.65 O ATOM 795 CB ALA A 55 -5.053 -5.386 3.958 1.00 0.62 C ATOM 0 H ALA A 55 -4.658 -5.790 6.696 1.00 0.57 H new ATOM 0 HA ALA A 55 -5.948 -7.255 4.442 1.00 0.54 H new ATOM 0 HB1 ALA A 55 -4.837 -5.682 2.931 1.00 0.62 H new ATOM 0 HB2 ALA A 55 -6.000 -4.847 3.989 1.00 0.62 H new ATOM 0 HB3 ALA A 55 -4.256 -4.740 4.325 1.00 0.62 H new ATOM 801 N ALA A 56 -3.557 -7.988 3.636 1.00 0.53 N ATOM 802 CA ALA A 56 -2.364 -8.800 3.463 1.00 0.62 C ATOM 803 C ALA A 56 -1.806 -8.585 2.055 1.00 0.51 C ATOM 804 O ALA A 56 -2.558 -8.315 1.120 1.00 0.49 O ATOM 805 CB ALA A 56 -2.701 -10.267 3.740 1.00 0.85 C ATOM 0 H ALA A 56 -4.117 -7.868 2.792 1.00 0.53 H new ATOM 0 HA ALA A 56 -1.591 -8.504 4.172 1.00 0.62 H new ATOM 0 HB1 ALA A 56 -1.807 -10.877 3.610 1.00 0.85 H new ATOM 0 HB2 ALA A 56 -3.065 -10.370 4.762 1.00 0.85 H new ATOM 0 HB3 ALA A 56 -3.471 -10.601 3.045 1.00 0.85 H new ATOM 811 N VAL A 57 -0.492 -8.713 1.948 1.00 0.62 N ATOM 812 CA VAL A 57 0.176 -8.537 0.669 1.00 0.65 C ATOM 813 C VAL A 57 0.507 -9.908 0.079 1.00 0.63 C ATOM 814 O VAL A 57 1.132 -10.738 0.737 1.00 0.67 O ATOM 815 CB VAL A 57 1.408 -7.646 0.841 1.00 0.87 C ATOM 816 CG1 VAL A 57 2.197 -8.038 2.092 1.00 1.65 C ATOM 817 CG2 VAL A 57 2.295 -7.692 -0.404 1.00 2.47 C ATOM 0 H VAL A 57 0.129 -8.937 2.726 1.00 0.62 H new ATOM 0 HA VAL A 57 -0.480 -8.029 -0.038 1.00 0.65 H new ATOM 0 HB VAL A 57 1.065 -6.620 0.970 1.00 0.87 H new ATOM 0 HG11 VAL A 57 3.068 -7.390 2.191 1.00 1.65 H new ATOM 0 HG12 VAL A 57 1.562 -7.930 2.971 1.00 1.65 H new ATOM 0 HG13 VAL A 57 2.524 -9.074 2.006 1.00 1.65 H new ATOM 0 HG21 VAL A 57 3.164 -7.050 -0.256 1.00 2.47 H new ATOM 0 HG22 VAL A 57 2.626 -8.716 -0.577 1.00 2.47 H new ATOM 0 HG23 VAL A 57 1.729 -7.342 -1.267 1.00 2.47 H new ATOM 827 N SER A 58 0.073 -10.105 -1.158 1.00 0.64 N ATOM 828 CA SER A 58 0.316 -11.362 -1.846 1.00 0.70 C ATOM 829 C SER A 58 0.851 -11.093 -3.253 1.00 0.84 C ATOM 830 O SER A 58 0.352 -10.213 -3.954 1.00 1.31 O ATOM 831 CB SER A 58 -0.957 -12.207 -1.914 1.00 0.79 C ATOM 832 OG SER A 58 -1.804 -11.989 -0.789 1.00 0.91 O ATOM 0 H SER A 58 -0.446 -9.415 -1.701 1.00 0.64 H new ATOM 0 HA SER A 58 1.062 -11.922 -1.282 1.00 0.70 H new ATOM 0 HB2 SER A 58 -1.501 -11.970 -2.828 1.00 0.79 H new ATOM 0 HB3 SER A 58 -0.689 -13.262 -1.967 1.00 0.79 H new ATOM 0 HG SER A 58 -2.607 -12.545 -0.871 1.00 0.91 H new ATOM 838 N GLY A 59 1.859 -11.867 -3.627 1.00 0.67 N ATOM 839 CA GLY A 59 2.467 -11.724 -4.939 1.00 0.75 C ATOM 840 C GLY A 59 1.753 -12.597 -5.972 1.00 0.90 C ATOM 841 O GLY A 59 0.922 -13.432 -5.617 1.00 0.99 O ATOM 0 H GLY A 59 2.270 -12.596 -3.044 1.00 0.67 H new ATOM 0 HA2 GLY A 59 2.428 -10.680 -5.250 1.00 0.75 H new ATOM 0 HA3 GLY A 59 3.520 -12.002 -4.888 1.00 0.75 H new ATOM 845 N GLY A 60 2.100 -12.373 -7.231 1.00 1.06 N ATOM 846 CA GLY A 60 1.503 -13.128 -8.319 1.00 1.31 C ATOM 847 C GLY A 60 2.439 -14.243 -8.792 1.00 1.35 C ATOM 848 O GLY A 60 3.121 -14.869 -7.983 1.00 2.10 O ATOM 0 H GLY A 60 2.788 -11.678 -7.522 1.00 1.06 H new ATOM 0 HA2 GLY A 60 0.556 -13.558 -7.992 1.00 1.31 H new ATOM 0 HA3 GLY A 60 1.279 -12.459 -9.150 1.00 1.31 H new ATOM 852 N GLY A 61 2.441 -14.455 -10.100 1.00 1.86 N ATOM 853 CA GLY A 61 3.282 -15.482 -10.690 1.00 1.98 C ATOM 854 C GLY A 61 4.762 -15.119 -10.561 1.00 1.93 C ATOM 855 O GLY A 61 5.622 -15.998 -10.561 1.00 2.39 O ATOM 0 H GLY A 61 1.873 -13.933 -10.768 1.00 1.86 H new ATOM 0 HA2 GLY A 61 3.094 -16.437 -10.200 1.00 1.98 H new ATOM 0 HA3 GLY A 61 3.025 -15.608 -11.742 1.00 1.98 H new ATOM 859 N ASP A 62 5.014 -13.823 -10.456 1.00 1.61 N ATOM 860 CA ASP A 62 6.377 -13.333 -10.327 1.00 1.58 C ATOM 861 C ASP A 62 6.602 -12.837 -8.897 1.00 1.41 C ATOM 862 O ASP A 62 5.691 -12.296 -8.272 1.00 1.25 O ATOM 863 CB ASP A 62 6.633 -12.163 -11.279 1.00 1.59 C ATOM 864 CG ASP A 62 6.657 -12.530 -12.764 1.00 2.10 C ATOM 865 OD1 ASP A 62 7.188 -13.674 -13.034 1.00 2.20 O ATOM 866 OD2 ASP A 62 6.191 -11.762 -13.619 1.00 3.25 O ATOM 0 H ASP A 62 4.298 -13.097 -10.458 1.00 1.61 H new ATOM 0 HA ASP A 62 7.055 -14.151 -10.570 1.00 1.58 H new ATOM 0 HB2 ASP A 62 5.862 -11.409 -11.119 1.00 1.59 H new ATOM 0 HB3 ASP A 62 7.587 -11.704 -11.018 1.00 1.59 H new ATOM 871 N PRO A 63 7.855 -13.045 -8.408 1.00 1.52 N ATOM 872 CA PRO A 63 8.212 -12.626 -7.064 1.00 1.51 C ATOM 873 C PRO A 63 8.399 -11.109 -6.994 1.00 1.25 C ATOM 874 O PRO A 63 8.439 -10.534 -5.907 1.00 1.36 O ATOM 875 CB PRO A 63 9.480 -13.397 -6.735 1.00 1.79 C ATOM 876 CG PRO A 63 10.042 -13.861 -8.069 1.00 1.89 C ATOM 877 CD PRO A 63 8.958 -13.683 -9.120 1.00 1.76 C ATOM 0 HA PRO A 63 7.431 -12.841 -6.335 1.00 1.51 H new ATOM 0 HB2 PRO A 63 10.195 -12.766 -6.208 1.00 1.79 H new ATOM 0 HB3 PRO A 63 9.264 -14.245 -6.086 1.00 1.79 H new ATOM 0 HG2 PRO A 63 10.927 -13.282 -8.332 1.00 1.89 H new ATOM 0 HG3 PRO A 63 10.350 -14.905 -8.011 1.00 1.89 H new ATOM 0 HD2 PRO A 63 9.306 -13.065 -9.947 1.00 1.76 H new ATOM 0 HD3 PRO A 63 8.655 -14.641 -9.543 1.00 1.76 H new ATOM 885 N LYS A 64 8.507 -10.503 -8.167 1.00 1.02 N ATOM 886 CA LYS A 64 8.689 -9.065 -8.253 1.00 0.84 C ATOM 887 C LYS A 64 7.320 -8.381 -8.253 1.00 0.77 C ATOM 888 O LYS A 64 7.221 -7.182 -7.998 1.00 0.81 O ATOM 889 CB LYS A 64 9.555 -8.705 -9.462 1.00 0.79 C ATOM 890 CG LYS A 64 8.754 -8.809 -10.761 1.00 0.92 C ATOM 891 CD LYS A 64 9.565 -8.287 -11.949 1.00 1.21 C ATOM 892 CE LYS A 64 10.127 -9.443 -12.779 1.00 1.54 C ATOM 893 NZ LYS A 64 10.762 -8.932 -14.015 1.00 2.14 N ATOM 0 H LYS A 64 8.472 -10.983 -9.066 1.00 1.02 H new ATOM 0 HA LYS A 64 9.230 -8.698 -7.381 1.00 0.84 H new ATOM 0 HB2 LYS A 64 9.941 -7.692 -9.349 1.00 0.79 H new ATOM 0 HB3 LYS A 64 10.417 -9.371 -9.508 1.00 0.79 H new ATOM 0 HG2 LYS A 64 8.472 -9.847 -10.937 1.00 0.92 H new ATOM 0 HG3 LYS A 64 7.829 -8.239 -10.669 1.00 0.92 H new ATOM 0 HD2 LYS A 64 8.934 -7.657 -12.576 1.00 1.21 H new ATOM 0 HD3 LYS A 64 10.382 -7.662 -11.589 1.00 1.21 H new ATOM 0 HE2 LYS A 64 10.857 -9.999 -12.191 1.00 1.54 H new ATOM 0 HE3 LYS A 64 9.327 -10.138 -13.034 1.00 1.54 H new ATOM 0 HZ1 LYS A 64 11.138 -9.729 -14.567 1.00 2.14 H new ATOM 0 HZ2 LYS A 64 10.056 -8.421 -14.582 1.00 2.14 H new ATOM 0 HZ3 LYS A 64 11.538 -8.287 -13.765 1.00 2.14 H new ATOM 907 N THR A 65 6.298 -9.174 -8.540 1.00 0.78 N ATOM 908 CA THR A 65 4.940 -8.660 -8.577 1.00 0.76 C ATOM 909 C THR A 65 4.278 -8.807 -7.205 1.00 0.62 C ATOM 910 O THR A 65 4.330 -9.875 -6.598 1.00 0.57 O ATOM 911 CB THR A 65 4.189 -9.386 -9.694 1.00 0.89 C ATOM 912 OG1 THR A 65 4.850 -8.968 -10.885 1.00 1.08 O ATOM 913 CG2 THR A 65 2.756 -8.877 -9.865 1.00 0.83 C ATOM 0 H THR A 65 6.384 -10.169 -8.749 1.00 0.78 H new ATOM 0 HA THR A 65 4.927 -7.593 -8.798 1.00 0.76 H new ATOM 0 HB THR A 65 4.171 -10.455 -9.483 1.00 0.89 H new ATOM 0 HG1 THR A 65 4.428 -9.394 -11.660 1.00 1.08 H new ATOM 0 HG21 THR A 65 2.269 -9.426 -10.671 1.00 0.83 H new ATOM 0 HG22 THR A 65 2.203 -9.027 -8.937 1.00 0.83 H new ATOM 0 HG23 THR A 65 2.774 -7.815 -10.109 1.00 0.83 H new ATOM 921 N MET A 66 3.670 -7.718 -6.757 1.00 0.71 N ATOM 922 CA MET A 66 2.998 -7.711 -5.468 1.00 0.60 C ATOM 923 C MET A 66 1.617 -7.063 -5.574 1.00 0.42 C ATOM 924 O MET A 66 1.463 -6.019 -6.206 1.00 0.49 O ATOM 925 CB MET A 66 3.847 -6.943 -4.453 1.00 0.64 C ATOM 926 CG MET A 66 4.471 -7.893 -3.429 1.00 0.87 C ATOM 927 SD MET A 66 6.251 -7.794 -3.507 1.00 1.09 S ATOM 928 CE MET A 66 6.516 -8.305 -5.197 1.00 1.16 C ATOM 0 H MET A 66 3.629 -6.834 -7.264 1.00 0.71 H new ATOM 0 HA MET A 66 2.870 -8.743 -5.140 1.00 0.60 H new ATOM 0 HB2 MET A 66 4.633 -6.395 -4.972 1.00 0.64 H new ATOM 0 HB3 MET A 66 3.229 -6.205 -3.941 1.00 0.64 H new ATOM 0 HG2 MET A 66 4.128 -7.636 -2.427 1.00 0.87 H new ATOM 0 HG3 MET A 66 4.147 -8.915 -3.625 1.00 0.87 H new ATOM 0 HE1 MET A 66 7.586 -8.334 -5.405 1.00 1.16 H new ATOM 0 HE2 MET A 66 6.090 -9.297 -5.348 1.00 1.16 H new ATOM 0 HE3 MET A 66 6.034 -7.597 -5.871 1.00 1.16 H new ATOM 938 N VAL A 67 0.646 -7.710 -4.945 1.00 0.60 N ATOM 939 CA VAL A 67 -0.718 -7.209 -4.960 1.00 0.50 C ATOM 940 C VAL A 67 -1.295 -7.270 -3.543 1.00 0.48 C ATOM 941 O VAL A 67 -1.320 -8.333 -2.926 1.00 0.59 O ATOM 942 CB VAL A 67 -1.551 -7.988 -5.979 1.00 0.71 C ATOM 943 CG1 VAL A 67 -1.282 -7.493 -7.401 1.00 2.04 C ATOM 944 CG2 VAL A 67 -1.291 -9.492 -5.863 1.00 1.65 C ATOM 0 H VAL A 67 0.777 -8.576 -4.422 1.00 0.60 H new ATOM 0 HA VAL A 67 -0.738 -6.166 -5.275 1.00 0.50 H new ATOM 0 HB VAL A 67 -2.603 -7.811 -5.757 1.00 0.71 H new ATOM 0 HG11 VAL A 67 -1.887 -8.064 -8.105 1.00 2.04 H new ATOM 0 HG12 VAL A 67 -1.540 -6.437 -7.474 1.00 2.04 H new ATOM 0 HG13 VAL A 67 -0.227 -7.625 -7.639 1.00 2.04 H new ATOM 0 HG21 VAL A 67 -1.895 -10.023 -6.598 1.00 1.65 H new ATOM 0 HG22 VAL A 67 -0.236 -9.694 -6.046 1.00 1.65 H new ATOM 0 HG23 VAL A 67 -1.557 -9.831 -4.862 1.00 1.65 H new ATOM 954 N ILE A 68 -1.743 -6.117 -3.071 1.00 0.39 N ATOM 955 CA ILE A 68 -2.318 -6.026 -1.740 1.00 0.38 C ATOM 956 C ILE A 68 -3.809 -6.360 -1.809 1.00 0.38 C ATOM 957 O ILE A 68 -4.567 -5.691 -2.509 1.00 0.40 O ATOM 958 CB ILE A 68 -2.022 -4.659 -1.120 1.00 0.40 C ATOM 959 CG1 ILE A 68 -0.826 -4.736 -0.169 1.00 0.46 C ATOM 960 CG2 ILE A 68 -3.264 -4.086 -0.435 1.00 0.46 C ATOM 961 CD1 ILE A 68 0.492 -4.607 -0.933 1.00 0.45 C ATOM 0 H ILE A 68 -1.720 -5.237 -3.587 1.00 0.39 H new ATOM 0 HA ILE A 68 -1.858 -6.757 -1.076 1.00 0.38 H new ATOM 0 HB ILE A 68 -1.752 -3.972 -1.922 1.00 0.40 H new ATOM 0 HG12 ILE A 68 -0.898 -3.943 0.576 1.00 0.46 H new ATOM 0 HG13 ILE A 68 -0.846 -5.683 0.370 1.00 0.46 H new ATOM 0 HG21 ILE A 68 -3.025 -3.114 -0.003 1.00 0.46 H new ATOM 0 HG22 ILE A 68 -4.063 -3.971 -1.167 1.00 0.46 H new ATOM 0 HG23 ILE A 68 -3.590 -4.764 0.354 1.00 0.46 H new ATOM 0 HD11 ILE A 68 1.326 -4.665 -0.233 1.00 0.45 H new ATOM 0 HD12 ILE A 68 0.572 -5.415 -1.660 1.00 0.45 H new ATOM 0 HD13 ILE A 68 0.520 -3.649 -1.451 1.00 0.45 H new ATOM 973 N THR A 69 -4.186 -7.395 -1.073 1.00 0.43 N ATOM 974 CA THR A 69 -5.573 -7.826 -1.042 1.00 0.46 C ATOM 975 C THR A 69 -6.098 -7.830 0.396 1.00 0.46 C ATOM 976 O THR A 69 -5.764 -8.717 1.180 1.00 0.53 O ATOM 977 CB THR A 69 -5.659 -9.192 -1.724 1.00 0.51 C ATOM 978 OG1 THR A 69 -6.298 -8.919 -2.969 1.00 0.55 O ATOM 979 CG2 THR A 69 -6.624 -10.143 -1.011 1.00 0.52 C ATOM 0 H THR A 69 -3.555 -7.948 -0.493 1.00 0.43 H new ATOM 0 HA THR A 69 -6.215 -7.134 -1.587 1.00 0.46 H new ATOM 0 HB THR A 69 -4.667 -9.642 -1.761 1.00 0.51 H new ATOM 0 HG1 THR A 69 -6.393 -9.751 -3.478 1.00 0.55 H new ATOM 0 HG21 THR A 69 -6.648 -11.098 -1.536 1.00 0.52 H new ATOM 0 HG22 THR A 69 -6.289 -10.300 0.014 1.00 0.52 H new ATOM 0 HG23 THR A 69 -7.624 -9.708 -1.003 1.00 0.52 H new ATOM 987 N PRO A 70 -6.934 -6.804 0.706 1.00 0.42 N ATOM 988 CA PRO A 70 -7.509 -6.682 2.035 1.00 0.45 C ATOM 989 C PRO A 70 -8.630 -7.702 2.244 1.00 0.47 C ATOM 990 O PRO A 70 -9.480 -7.882 1.374 1.00 0.48 O ATOM 991 CB PRO A 70 -7.990 -5.243 2.125 1.00 0.47 C ATOM 992 CG PRO A 70 -8.091 -4.747 0.692 1.00 0.47 C ATOM 993 CD PRO A 70 -7.352 -5.736 -0.197 1.00 0.43 C ATOM 0 HA PRO A 70 -6.790 -6.898 2.826 1.00 0.45 H new ATOM 0 HB2 PRO A 70 -8.956 -5.185 2.627 1.00 0.47 H new ATOM 0 HB3 PRO A 70 -7.294 -4.634 2.701 1.00 0.47 H new ATOM 0 HG2 PRO A 70 -9.135 -4.667 0.388 1.00 0.47 H new ATOM 0 HG3 PRO A 70 -7.655 -3.752 0.601 1.00 0.47 H new ATOM 0 HD2 PRO A 70 -7.998 -6.116 -0.988 1.00 0.43 H new ATOM 0 HD3 PRO A 70 -6.495 -5.269 -0.682 1.00 0.43 H new ATOM 1001 N ALA A 71 -8.594 -8.343 3.403 1.00 0.52 N ATOM 1002 CA ALA A 71 -9.596 -9.341 3.738 1.00 0.58 C ATOM 1003 C ALA A 71 -10.933 -8.645 4.003 1.00 0.58 C ATOM 1004 O ALA A 71 -11.993 -9.251 3.850 1.00 0.68 O ATOM 1005 CB ALA A 71 -9.118 -10.162 4.936 1.00 0.68 C ATOM 0 H ALA A 71 -7.887 -8.191 4.122 1.00 0.52 H new ATOM 0 HA ALA A 71 -9.743 -10.032 2.908 1.00 0.58 H new ATOM 0 HB1 ALA A 71 -9.869 -10.910 5.187 1.00 0.68 H new ATOM 0 HB2 ALA A 71 -8.181 -10.659 4.686 1.00 0.68 H new ATOM 0 HB3 ALA A 71 -8.963 -9.503 5.790 1.00 0.68 H new ATOM 1011 N SER A 72 -10.840 -7.383 4.395 1.00 0.55 N ATOM 1012 CA SER A 72 -12.028 -6.599 4.682 1.00 0.58 C ATOM 1013 C SER A 72 -12.313 -5.637 3.527 1.00 0.52 C ATOM 1014 O SER A 72 -11.393 -5.193 2.843 1.00 0.48 O ATOM 1015 CB SER A 72 -11.873 -5.823 5.992 1.00 0.65 C ATOM 1016 OG SER A 72 -13.008 -5.976 6.840 1.00 0.76 O ATOM 0 H SER A 72 -9.959 -6.884 4.521 1.00 0.55 H new ATOM 0 HA SER A 72 -12.869 -7.283 4.793 1.00 0.58 H new ATOM 0 HB2 SER A 72 -10.981 -6.168 6.515 1.00 0.65 H new ATOM 0 HB3 SER A 72 -11.725 -4.766 5.772 1.00 0.65 H new ATOM 0 HG SER A 72 -12.870 -5.467 7.666 1.00 0.76 H new ATOM 1022 N PRO A 73 -13.626 -5.336 3.340 1.00 0.57 N ATOM 1023 CA PRO A 73 -14.044 -4.435 2.280 1.00 0.56 C ATOM 1024 C PRO A 73 -13.725 -2.982 2.637 1.00 0.51 C ATOM 1025 O PRO A 73 -13.999 -2.539 3.751 1.00 0.59 O ATOM 1026 CB PRO A 73 -15.533 -4.692 2.108 1.00 0.68 C ATOM 1027 CG PRO A 73 -15.986 -5.383 3.384 1.00 0.75 C ATOM 1028 CD PRO A 73 -14.743 -5.842 4.131 1.00 0.68 C ATOM 0 HA PRO A 73 -13.513 -4.612 1.345 1.00 0.56 H new ATOM 0 HB2 PRO A 73 -16.075 -3.759 1.955 1.00 0.68 H new ATOM 0 HB3 PRO A 73 -15.723 -5.318 1.236 1.00 0.68 H new ATOM 0 HG2 PRO A 73 -16.572 -4.701 4.000 1.00 0.75 H new ATOM 0 HG3 PRO A 73 -16.627 -6.233 3.151 1.00 0.75 H new ATOM 0 HD2 PRO A 73 -14.722 -5.444 5.146 1.00 0.68 H new ATOM 0 HD3 PRO A 73 -14.709 -6.928 4.214 1.00 0.68 H new ATOM 1036 N LEU A 74 -13.153 -2.280 1.670 1.00 0.45 N ATOM 1037 CA LEU A 74 -12.794 -0.886 1.869 1.00 0.43 C ATOM 1038 C LEU A 74 -14.032 -0.011 1.664 1.00 0.45 C ATOM 1039 O LEU A 74 -14.585 0.041 0.566 1.00 0.49 O ATOM 1040 CB LEU A 74 -11.615 -0.503 0.973 1.00 0.48 C ATOM 1041 CG LEU A 74 -10.349 -1.348 1.132 1.00 0.51 C ATOM 1042 CD1 LEU A 74 -9.395 -1.133 -0.044 1.00 0.60 C ATOM 1043 CD2 LEU A 74 -9.672 -1.075 2.476 1.00 0.51 C ATOM 0 H LEU A 74 -12.929 -2.650 0.746 1.00 0.45 H new ATOM 0 HA LEU A 74 -12.453 -0.723 2.891 1.00 0.43 H new ATOM 0 HB2 LEU A 74 -11.940 -0.563 -0.066 1.00 0.48 H new ATOM 0 HB3 LEU A 74 -11.360 0.539 1.168 1.00 0.48 H new ATOM 0 HG LEU A 74 -10.638 -2.399 1.125 1.00 0.51 H new ATOM 0 HD11 LEU A 74 -8.504 -1.745 0.094 1.00 0.60 H new ATOM 0 HD12 LEU A 74 -9.891 -1.418 -0.972 1.00 0.60 H new ATOM 0 HD13 LEU A 74 -9.110 -0.082 -0.093 1.00 0.60 H new ATOM 0 HD21 LEU A 74 -8.775 -1.688 2.563 1.00 0.51 H new ATOM 0 HD22 LEU A 74 -9.399 -0.022 2.538 1.00 0.51 H new ATOM 0 HD23 LEU A 74 -10.359 -1.320 3.286 1.00 0.51 H new ATOM 1055 N THR A 75 -14.431 0.655 2.736 1.00 0.45 N ATOM 1056 CA THR A 75 -15.594 1.527 2.687 1.00 0.51 C ATOM 1057 C THR A 75 -15.170 2.966 2.391 1.00 0.53 C ATOM 1058 O THR A 75 -13.980 3.273 2.362 1.00 0.54 O ATOM 1059 CB THR A 75 -16.353 1.375 4.007 1.00 0.57 C ATOM 1060 OG1 THR A 75 -15.430 1.829 4.992 1.00 0.63 O ATOM 1061 CG2 THR A 75 -16.602 -0.088 4.375 1.00 0.56 C ATOM 0 H THR A 75 -13.970 0.609 3.645 1.00 0.45 H new ATOM 0 HA THR A 75 -16.265 1.247 1.875 1.00 0.51 H new ATOM 0 HB THR A 75 -17.307 1.899 3.939 1.00 0.57 H new ATOM 0 HG1 THR A 75 -15.841 1.766 5.879 1.00 0.63 H new ATOM 0 HG21 THR A 75 -17.144 -0.138 5.320 1.00 0.56 H new ATOM 0 HG22 THR A 75 -17.192 -0.565 3.592 1.00 0.56 H new ATOM 0 HG23 THR A 75 -15.648 -0.605 4.476 1.00 0.56 H new ATOM 1069 N ALA A 76 -16.168 3.811 2.180 1.00 0.59 N ATOM 1070 CA ALA A 76 -15.914 5.211 1.887 1.00 0.64 C ATOM 1071 C ALA A 76 -14.931 5.773 2.916 1.00 0.66 C ATOM 1072 O ALA A 76 -14.546 5.078 3.856 1.00 0.83 O ATOM 1073 CB ALA A 76 -17.238 5.977 1.867 1.00 0.74 C ATOM 0 H ALA A 76 -17.154 3.553 2.206 1.00 0.59 H new ATOM 0 HA ALA A 76 -15.459 5.320 0.903 1.00 0.64 H new ATOM 0 HB1 ALA A 76 -17.047 7.027 1.647 1.00 0.74 H new ATOM 0 HB2 ALA A 76 -17.889 5.558 1.100 1.00 0.74 H new ATOM 0 HB3 ALA A 76 -17.722 5.892 2.840 1.00 0.74 H new ATOM 1079 N GLY A 77 -14.553 7.024 2.704 1.00 0.67 N ATOM 1080 CA GLY A 77 -13.621 7.687 3.602 1.00 0.69 C ATOM 1081 C GLY A 77 -12.281 7.943 2.911 1.00 0.65 C ATOM 1082 O GLY A 77 -12.224 8.072 1.688 1.00 0.66 O ATOM 0 H GLY A 77 -14.875 7.597 1.924 1.00 0.67 H new ATOM 0 HA2 GLY A 77 -14.046 8.632 3.940 1.00 0.69 H new ATOM 0 HA3 GLY A 77 -13.465 7.072 4.489 1.00 0.69 H new ATOM 1086 N THR A 78 -11.235 8.009 3.722 1.00 0.65 N ATOM 1087 CA THR A 78 -9.899 8.247 3.203 1.00 0.63 C ATOM 1088 C THR A 78 -8.898 7.290 3.852 1.00 0.54 C ATOM 1089 O THR A 78 -8.907 7.105 5.069 1.00 0.60 O ATOM 1090 CB THR A 78 -9.562 9.723 3.426 1.00 0.72 C ATOM 1091 OG1 THR A 78 -10.405 10.414 2.508 1.00 0.82 O ATOM 1092 CG2 THR A 78 -8.145 10.074 2.968 1.00 0.78 C ATOM 0 H THR A 78 -11.286 7.902 4.735 1.00 0.65 H new ATOM 0 HA THR A 78 -9.847 8.045 2.133 1.00 0.63 H new ATOM 0 HB THR A 78 -9.673 9.966 4.483 1.00 0.72 H new ATOM 0 HG1 THR A 78 -11.196 10.750 2.979 1.00 0.82 H new ATOM 0 HG21 THR A 78 -7.956 11.132 3.148 1.00 0.78 H new ATOM 0 HG22 THR A 78 -7.424 9.477 3.526 1.00 0.78 H new ATOM 0 HG23 THR A 78 -8.044 9.863 1.903 1.00 0.78 H new ATOM 1100 N TYR A 79 -8.055 6.707 3.012 1.00 0.45 N ATOM 1101 CA TYR A 79 -7.048 5.773 3.488 1.00 0.40 C ATOM 1102 C TYR A 79 -5.679 6.089 2.883 1.00 0.41 C ATOM 1103 O TYR A 79 -5.579 6.866 1.935 1.00 0.48 O ATOM 1104 CB TYR A 79 -7.497 4.391 3.014 1.00 0.38 C ATOM 1105 CG TYR A 79 -8.888 3.985 3.505 1.00 0.42 C ATOM 1106 CD1 TYR A 79 -10.007 4.623 3.010 1.00 1.56 C ATOM 1107 CD2 TYR A 79 -9.024 2.981 4.442 1.00 1.83 C ATOM 1108 CE1 TYR A 79 -11.318 4.241 3.473 1.00 1.51 C ATOM 1109 CE2 TYR A 79 -10.333 2.600 4.904 1.00 1.93 C ATOM 1110 CZ TYR A 79 -11.415 3.249 4.396 1.00 0.62 C ATOM 1111 OH TYR A 79 -12.652 2.888 4.833 1.00 0.75 O ATOM 0 H TYR A 79 -8.049 6.863 2.004 1.00 0.45 H new ATOM 0 HA TYR A 79 -6.952 5.831 4.572 1.00 0.40 H new ATOM 0 HB2 TYR A 79 -7.488 4.372 1.924 1.00 0.38 H new ATOM 0 HB3 TYR A 79 -6.773 3.650 3.352 1.00 0.38 H new ATOM 0 HD1 TYR A 79 -9.901 5.408 2.276 1.00 1.56 H new ATOM 0 HD2 TYR A 79 -8.148 2.481 4.829 1.00 1.83 H new ATOM 0 HE1 TYR A 79 -12.202 4.732 3.095 1.00 1.51 H new ATOM 0 HE2 TYR A 79 -10.453 1.816 5.637 1.00 1.93 H new ATOM 0 HH TYR A 79 -13.289 2.940 4.090 1.00 0.75 H new ATOM 1121 N LYS A 80 -4.658 5.468 3.456 1.00 0.42 N ATOM 1122 CA LYS A 80 -3.299 5.672 2.985 1.00 0.44 C ATOM 1123 C LYS A 80 -2.543 4.343 3.030 1.00 0.40 C ATOM 1124 O LYS A 80 -2.347 3.772 4.102 1.00 0.43 O ATOM 1125 CB LYS A 80 -2.620 6.793 3.774 1.00 0.53 C ATOM 1126 CG LYS A 80 -1.158 6.955 3.350 1.00 1.19 C ATOM 1127 CD LYS A 80 -0.212 6.609 4.502 1.00 2.17 C ATOM 1128 CE LYS A 80 0.522 7.855 5.000 1.00 2.30 C ATOM 1129 NZ LYS A 80 -0.039 8.304 6.294 1.00 2.72 N ATOM 0 H LYS A 80 -4.745 4.824 4.242 1.00 0.42 H new ATOM 0 HA LYS A 80 -3.302 6.002 1.946 1.00 0.44 H new ATOM 0 HB2 LYS A 80 -3.154 7.730 3.615 1.00 0.53 H new ATOM 0 HB3 LYS A 80 -2.671 6.574 4.841 1.00 0.53 H new ATOM 0 HG2 LYS A 80 -0.949 6.310 2.497 1.00 1.19 H new ATOM 0 HG3 LYS A 80 -0.981 7.980 3.025 1.00 1.19 H new ATOM 0 HD2 LYS A 80 -0.777 6.164 5.321 1.00 2.17 H new ATOM 0 HD3 LYS A 80 0.512 5.864 4.172 1.00 2.17 H new ATOM 0 HE2 LYS A 80 1.584 7.638 5.113 1.00 2.30 H new ATOM 0 HE3 LYS A 80 0.437 8.654 4.263 1.00 2.30 H new ATOM 0 HZ1 LYS A 80 0.470 9.151 6.618 1.00 2.72 H new ATOM 0 HZ2 LYS A 80 -1.047 8.531 6.175 1.00 2.72 H new ATOM 0 HZ3 LYS A 80 0.065 7.546 6.999 1.00 2.72 H new ATOM 1143 N VAL A 81 -2.138 3.887 1.853 1.00 0.41 N ATOM 1144 CA VAL A 81 -1.408 2.636 1.745 1.00 0.41 C ATOM 1145 C VAL A 81 0.093 2.917 1.835 1.00 0.42 C ATOM 1146 O VAL A 81 0.697 3.397 0.877 1.00 0.53 O ATOM 1147 CB VAL A 81 -1.805 1.908 0.458 1.00 0.45 C ATOM 1148 CG1 VAL A 81 -1.182 0.512 0.405 1.00 0.47 C ATOM 1149 CG2 VAL A 81 -3.326 1.836 0.316 1.00 0.59 C ATOM 0 H VAL A 81 -2.302 4.363 0.966 1.00 0.41 H new ATOM 0 HA VAL A 81 -1.664 1.972 2.570 1.00 0.41 H new ATOM 0 HB VAL A 81 -1.417 2.480 -0.385 1.00 0.45 H new ATOM 0 HG11 VAL A 81 -1.479 0.016 -0.519 1.00 0.47 H new ATOM 0 HG12 VAL A 81 -0.096 0.597 0.438 1.00 0.47 H new ATOM 0 HG13 VAL A 81 -1.526 -0.073 1.258 1.00 0.47 H new ATOM 0 HG21 VAL A 81 -3.581 1.314 -0.606 1.00 0.59 H new ATOM 0 HG22 VAL A 81 -3.746 1.297 1.166 1.00 0.59 H new ATOM 0 HG23 VAL A 81 -3.737 2.845 0.287 1.00 0.59 H new ATOM 1159 N ASP A 82 0.653 2.606 2.995 1.00 0.41 N ATOM 1160 CA ASP A 82 2.072 2.819 3.223 1.00 0.42 C ATOM 1161 C ASP A 82 2.834 1.530 2.906 1.00 0.42 C ATOM 1162 O ASP A 82 2.646 0.514 3.573 1.00 0.48 O ATOM 1163 CB ASP A 82 2.346 3.184 4.682 1.00 0.48 C ATOM 1164 CG ASP A 82 1.194 3.887 5.401 1.00 0.71 C ATOM 1165 OD1 ASP A 82 0.025 3.492 5.273 1.00 2.07 O ATOM 1166 OD2 ASP A 82 1.539 4.896 6.129 1.00 1.26 O ATOM 0 H ASP A 82 0.149 2.208 3.787 1.00 0.41 H new ATOM 0 HA ASP A 82 2.398 3.636 2.580 1.00 0.42 H new ATOM 0 HB2 ASP A 82 2.593 2.274 5.228 1.00 0.48 H new ATOM 0 HB3 ASP A 82 3.225 3.828 4.721 1.00 0.48 H new ATOM 1171 N TRP A 83 3.676 1.614 1.888 1.00 0.39 N ATOM 1172 CA TRP A 83 4.468 0.467 1.474 1.00 0.41 C ATOM 1173 C TRP A 83 5.936 0.775 1.769 1.00 0.45 C ATOM 1174 O TRP A 83 6.331 1.939 1.828 1.00 0.43 O ATOM 1175 CB TRP A 83 4.212 0.125 0.005 1.00 0.40 C ATOM 1176 CG TRP A 83 4.341 1.319 -0.943 1.00 0.36 C ATOM 1177 CD1 TRP A 83 3.359 2.058 -1.480 1.00 0.36 C ATOM 1178 CD2 TRP A 83 5.568 1.886 -1.450 1.00 0.36 C ATOM 1179 NE1 TRP A 83 3.861 3.054 -2.291 1.00 0.36 N ATOM 1180 CE2 TRP A 83 5.247 2.947 -2.272 1.00 0.36 C ATOM 1181 CE3 TRP A 83 6.904 1.516 -1.220 1.00 0.41 C ATOM 1182 CZ2 TRP A 83 6.207 3.723 -2.931 1.00 0.41 C ATOM 1183 CZ3 TRP A 83 7.852 2.301 -1.886 1.00 0.46 C ATOM 1184 CH2 TRP A 83 7.545 3.372 -2.717 1.00 0.46 C ATOM 0 H TRP A 83 3.828 2.458 1.337 1.00 0.39 H new ATOM 0 HA TRP A 83 4.180 -0.423 2.034 1.00 0.41 H new ATOM 0 HB2 TRP A 83 4.914 -0.649 -0.305 1.00 0.40 H new ATOM 0 HB3 TRP A 83 3.211 -0.295 -0.091 1.00 0.40 H new ATOM 0 HD1 TRP A 83 2.307 1.894 -1.300 1.00 0.36 H new ATOM 0 HE1 TRP A 83 3.316 3.743 -2.809 1.00 0.36 H new ATOM 0 HE3 TRP A 83 7.178 0.691 -0.580 1.00 0.41 H new ATOM 0 HZ2 TRP A 83 5.930 4.548 -3.570 1.00 0.41 H new ATOM 0 HZ3 TRP A 83 8.895 2.058 -1.744 1.00 0.46 H new ATOM 0 HH2 TRP A 83 8.335 3.931 -3.196 1.00 0.46 H new ATOM 1195 N ARG A 84 6.707 -0.288 1.947 1.00 0.53 N ATOM 1196 CA ARG A 84 8.125 -0.145 2.234 1.00 0.59 C ATOM 1197 C ARG A 84 8.914 -1.284 1.585 1.00 0.62 C ATOM 1198 O ARG A 84 8.563 -2.453 1.737 1.00 0.67 O ATOM 1199 CB ARG A 84 8.384 -0.148 3.741 1.00 0.67 C ATOM 1200 CG ARG A 84 8.594 1.274 4.265 1.00 0.95 C ATOM 1201 CD ARG A 84 8.595 1.302 5.794 1.00 1.61 C ATOM 1202 NE ARG A 84 7.257 1.690 6.294 1.00 1.40 N ATOM 1203 CZ ARG A 84 6.287 0.811 6.621 1.00 2.17 C ATOM 1204 NH1 ARG A 84 6.497 -0.517 6.502 1.00 2.82 N ATOM 1205 NH2 ARG A 84 5.128 1.270 7.059 1.00 3.32 N ATOM 0 H ARG A 84 6.377 -1.252 1.898 1.00 0.53 H new ATOM 0 HA ARG A 84 8.453 0.810 1.823 1.00 0.59 H new ATOM 0 HB2 ARG A 84 7.542 -0.609 4.257 1.00 0.67 H new ATOM 0 HB3 ARG A 84 9.263 -0.754 3.961 1.00 0.67 H new ATOM 0 HG2 ARG A 84 9.539 1.667 3.890 1.00 0.95 H new ATOM 0 HG3 ARG A 84 7.806 1.925 3.887 1.00 0.95 H new ATOM 0 HD2 ARG A 84 8.868 0.321 6.184 1.00 1.61 H new ATOM 0 HD3 ARG A 84 9.345 2.007 6.153 1.00 1.61 H new ATOM 0 HE ARG A 84 7.056 2.684 6.398 1.00 1.40 H new ATOM 0 HH11 ARG A 84 7.395 -0.863 6.163 1.00 2.82 H new ATOM 0 HH12 ARG A 84 5.758 -1.175 6.751 1.00 2.82 H new ATOM 0 HH21 ARG A 84 4.977 2.275 7.146 1.00 3.32 H new ATOM 0 HH22 ARG A 84 4.384 0.619 7.311 1.00 3.32 H new ATOM 1219 N ALA A 85 9.966 -0.902 0.875 1.00 0.70 N ATOM 1220 CA ALA A 85 10.809 -1.877 0.203 1.00 0.79 C ATOM 1221 C ALA A 85 12.234 -1.775 0.750 1.00 0.83 C ATOM 1222 O ALA A 85 12.945 -0.813 0.463 1.00 0.98 O ATOM 1223 CB ALA A 85 10.747 -1.649 -1.309 1.00 0.82 C ATOM 0 H ALA A 85 10.254 0.069 0.751 1.00 0.70 H new ATOM 0 HA ALA A 85 10.454 -2.889 0.395 1.00 0.79 H new ATOM 0 HB1 ALA A 85 11.379 -2.380 -1.813 1.00 0.82 H new ATOM 0 HB2 ALA A 85 9.718 -1.761 -1.652 1.00 0.82 H new ATOM 0 HB3 ALA A 85 11.099 -0.644 -1.540 1.00 0.82 H new ATOM 1229 N VAL A 86 12.609 -2.781 1.527 1.00 1.45 N ATOM 1230 CA VAL A 86 13.937 -2.816 2.115 1.00 1.59 C ATOM 1231 C VAL A 86 14.824 -3.765 1.306 1.00 1.83 C ATOM 1232 O VAL A 86 14.407 -4.872 0.968 1.00 2.30 O ATOM 1233 CB VAL A 86 13.843 -3.201 3.593 1.00 2.02 C ATOM 1234 CG1 VAL A 86 15.215 -3.120 4.269 1.00 3.18 C ATOM 1235 CG2 VAL A 86 12.821 -2.327 4.323 1.00 2.73 C ATOM 0 H VAL A 86 12.017 -3.577 1.763 1.00 1.45 H new ATOM 0 HA VAL A 86 14.398 -1.829 2.077 1.00 1.59 H new ATOM 0 HB VAL A 86 13.502 -4.235 3.649 1.00 2.02 H new ATOM 0 HG11 VAL A 86 15.120 -3.398 5.319 1.00 3.18 H new ATOM 0 HG12 VAL A 86 15.906 -3.802 3.773 1.00 3.18 H new ATOM 0 HG13 VAL A 86 15.597 -2.102 4.197 1.00 3.18 H new ATOM 0 HG21 VAL A 86 12.774 -2.621 5.371 1.00 2.73 H new ATOM 0 HG22 VAL A 86 13.120 -1.281 4.253 1.00 2.73 H new ATOM 0 HG23 VAL A 86 11.840 -2.455 3.866 1.00 2.73 H new ATOM 1245 N SER A 87 16.030 -3.297 1.020 1.00 1.82 N ATOM 1246 CA SER A 87 16.978 -4.090 0.257 1.00 2.17 C ATOM 1247 C SER A 87 18.408 -3.753 0.687 1.00 2.12 C ATOM 1248 O SER A 87 18.681 -2.635 1.120 1.00 3.37 O ATOM 1249 CB SER A 87 16.807 -3.859 -1.245 1.00 2.51 C ATOM 1250 OG SER A 87 16.423 -5.048 -1.929 1.00 3.80 O ATOM 0 H SER A 87 16.372 -2.379 1.303 1.00 1.82 H new ATOM 0 HA SER A 87 16.783 -5.143 0.459 1.00 2.17 H new ATOM 0 HB2 SER A 87 16.055 -3.088 -1.409 1.00 2.51 H new ATOM 0 HB3 SER A 87 17.742 -3.487 -1.663 1.00 2.51 H new ATOM 0 HG SER A 87 16.323 -4.857 -2.885 1.00 3.80 H new ATOM 1256 N SER A 88 19.281 -4.740 0.552 1.00 2.00 N ATOM 1257 CA SER A 88 20.675 -4.562 0.920 1.00 2.30 C ATOM 1258 C SER A 88 21.346 -3.571 -0.032 1.00 2.64 C ATOM 1259 O SER A 88 22.043 -3.973 -0.962 1.00 3.97 O ATOM 1260 CB SER A 88 21.423 -5.897 0.911 1.00 3.00 C ATOM 1261 OG SER A 88 21.377 -6.543 2.181 1.00 3.94 O ATOM 0 H SER A 88 19.050 -5.666 0.193 1.00 2.00 H new ATOM 0 HA SER A 88 20.712 -4.163 1.934 1.00 2.30 H new ATOM 0 HB2 SER A 88 20.988 -6.551 0.155 1.00 3.00 H new ATOM 0 HB3 SER A 88 22.462 -5.729 0.627 1.00 3.00 H new ATOM 0 HG SER A 88 21.864 -7.392 2.134 1.00 3.94 H new ATOM 1267 N ASP A 89 21.113 -2.293 0.233 1.00 2.70 N ATOM 1268 CA ASP A 89 21.686 -1.242 -0.590 1.00 3.98 C ATOM 1269 C ASP A 89 22.325 -0.185 0.313 1.00 3.90 C ATOM 1270 O ASP A 89 23.490 0.165 0.136 1.00 5.14 O ATOM 1271 CB ASP A 89 20.611 -0.555 -1.435 1.00 5.05 C ATOM 1272 CG ASP A 89 21.108 0.613 -2.289 1.00 6.79 C ATOM 1273 OD1 ASP A 89 22.134 0.419 -2.974 1.00 7.53 O ATOM 1274 OD2 ASP A 89 20.449 1.674 -2.236 1.00 7.70 O ATOM 0 H ASP A 89 20.535 -1.962 1.006 1.00 2.70 H new ATOM 0 HA ASP A 89 22.426 -1.696 -1.249 1.00 3.98 H new ATOM 0 HB2 ASP A 89 20.156 -1.297 -2.091 1.00 5.05 H new ATOM 0 HB3 ASP A 89 19.826 -0.192 -0.772 1.00 5.05 H new ATOM 1279 N THR A 90 21.533 0.294 1.261 1.00 3.18 N ATOM 1280 CA THR A 90 22.007 1.304 2.192 1.00 3.36 C ATOM 1281 C THR A 90 20.912 1.655 3.200 1.00 2.49 C ATOM 1282 O THR A 90 21.117 1.547 4.408 1.00 3.19 O ATOM 1283 CB THR A 90 22.493 2.505 1.379 1.00 4.61 C ATOM 1284 OG1 THR A 90 22.535 3.571 2.325 1.00 5.09 O ATOM 1285 CG2 THR A 90 21.463 2.967 0.345 1.00 5.50 C ATOM 0 H THR A 90 20.566 0.002 1.404 1.00 3.18 H new ATOM 0 HA THR A 90 22.844 0.935 2.785 1.00 3.36 H new ATOM 0 HB THR A 90 23.425 2.249 0.875 1.00 4.61 H new ATOM 0 HG1 THR A 90 22.842 4.390 1.882 1.00 5.09 H new ATOM 0 HG21 THR A 90 21.857 3.822 -0.205 1.00 5.50 H new ATOM 0 HG22 THR A 90 21.255 2.153 -0.350 1.00 5.50 H new ATOM 0 HG23 THR A 90 20.542 3.255 0.852 1.00 5.50 H new ATOM 1293 N HIS A 91 19.772 2.069 2.667 1.00 2.29 N ATOM 1294 CA HIS A 91 18.643 2.437 3.506 1.00 1.82 C ATOM 1295 C HIS A 91 17.354 1.867 2.910 1.00 1.30 C ATOM 1296 O HIS A 91 17.300 1.555 1.722 1.00 1.37 O ATOM 1297 CB HIS A 91 18.585 3.953 3.705 1.00 2.63 C ATOM 1298 CG HIS A 91 19.184 4.424 5.008 1.00 3.45 C ATOM 1299 ND1 HIS A 91 19.516 3.560 6.037 1.00 4.47 N ATOM 1300 CD2 HIS A 91 19.508 5.678 5.438 1.00 4.37 C ATOM 1301 CE1 HIS A 91 20.015 4.273 7.036 1.00 5.59 C ATOM 1302 NE2 HIS A 91 20.009 5.584 6.663 1.00 5.39 N ATOM 0 H HIS A 91 19.605 2.158 1.665 1.00 2.29 H new ATOM 0 HA HIS A 91 18.766 2.004 4.499 1.00 1.82 H new ATOM 0 HB2 HIS A 91 19.108 4.438 2.880 1.00 2.63 H new ATOM 0 HB3 HIS A 91 17.545 4.276 3.657 1.00 2.63 H new ATOM 0 HD2 HIS A 91 19.379 6.592 4.877 1.00 4.37 H new ATOM 0 HE1 HIS A 91 20.365 3.884 7.981 1.00 5.59 H new ATOM 0 HE2 HIS A 91 20.336 6.365 7.232 1.00 5.39 H new ATOM 1310 N PRO A 92 16.320 1.746 3.787 1.00 1.11 N ATOM 1311 CA PRO A 92 15.035 1.220 3.360 1.00 0.89 C ATOM 1312 C PRO A 92 14.264 2.255 2.539 1.00 0.78 C ATOM 1313 O PRO A 92 14.523 3.454 2.643 1.00 0.97 O ATOM 1314 CB PRO A 92 14.324 0.830 4.646 1.00 1.29 C ATOM 1315 CG PRO A 92 15.038 1.576 5.760 1.00 1.63 C ATOM 1316 CD PRO A 92 16.348 2.106 5.201 1.00 1.54 C ATOM 0 HA PRO A 92 15.131 0.360 2.697 1.00 0.89 H new ATOM 0 HB2 PRO A 92 13.269 1.102 4.607 1.00 1.29 H new ATOM 0 HB3 PRO A 92 14.369 -0.247 4.806 1.00 1.29 H new ATOM 0 HG2 PRO A 92 14.420 2.396 6.127 1.00 1.63 H new ATOM 0 HG3 PRO A 92 15.224 0.913 6.605 1.00 1.63 H new ATOM 0 HD2 PRO A 92 16.427 3.185 5.333 1.00 1.54 H new ATOM 0 HD3 PRO A 92 17.204 1.659 5.707 1.00 1.54 H new ATOM 1324 N ILE A 93 13.331 1.756 1.742 1.00 0.65 N ATOM 1325 CA ILE A 93 12.520 2.623 0.905 1.00 0.64 C ATOM 1326 C ILE A 93 11.104 2.704 1.482 1.00 0.61 C ATOM 1327 O ILE A 93 10.471 1.679 1.728 1.00 0.91 O ATOM 1328 CB ILE A 93 12.564 2.155 -0.551 1.00 0.79 C ATOM 1329 CG1 ILE A 93 13.980 2.265 -1.120 1.00 1.34 C ATOM 1330 CG2 ILE A 93 11.544 2.914 -1.402 1.00 1.39 C ATOM 1331 CD1 ILE A 93 14.574 3.649 -0.848 1.00 2.68 C ATOM 0 H ILE A 93 13.119 0.762 1.658 1.00 0.65 H new ATOM 0 HA ILE A 93 12.923 3.636 0.903 1.00 0.64 H new ATOM 0 HB ILE A 93 12.287 1.101 -0.579 1.00 0.79 H new ATOM 0 HG12 ILE A 93 14.615 1.499 -0.675 1.00 1.34 H new ATOM 0 HG13 ILE A 93 13.960 2.078 -2.194 1.00 1.34 H new ATOM 0 HG21 ILE A 93 11.596 2.562 -2.432 1.00 1.39 H new ATOM 0 HG22 ILE A 93 10.542 2.741 -1.010 1.00 1.39 H new ATOM 0 HG23 ILE A 93 11.766 3.981 -1.371 1.00 1.39 H new ATOM 0 HD11 ILE A 93 15.581 3.701 -1.263 1.00 2.68 H new ATOM 0 HD12 ILE A 93 13.950 4.411 -1.315 1.00 2.68 H new ATOM 0 HD13 ILE A 93 14.615 3.822 0.227 1.00 2.68 H new ATOM 1343 N THR A 94 10.651 3.933 1.680 1.00 0.53 N ATOM 1344 CA THR A 94 9.323 4.162 2.223 1.00 0.56 C ATOM 1345 C THR A 94 8.440 4.870 1.193 1.00 0.49 C ATOM 1346 O THR A 94 8.904 5.757 0.478 1.00 0.62 O ATOM 1347 CB THR A 94 9.474 4.940 3.531 1.00 0.73 C ATOM 1348 OG1 THR A 94 10.257 6.075 3.171 1.00 0.80 O ATOM 1349 CG2 THR A 94 10.338 4.202 4.556 1.00 0.81 C ATOM 0 H THR A 94 11.180 4.781 1.474 1.00 0.53 H new ATOM 0 HA THR A 94 8.819 3.221 2.444 1.00 0.56 H new ATOM 0 HB THR A 94 8.488 5.129 3.956 1.00 0.73 H new ATOM 0 HG1 THR A 94 10.402 6.636 3.961 1.00 0.80 H new ATOM 0 HG21 THR A 94 10.413 4.798 5.466 1.00 0.81 H new ATOM 0 HG22 THR A 94 9.883 3.239 4.789 1.00 0.81 H new ATOM 0 HG23 THR A 94 11.335 4.042 4.144 1.00 0.81 H new ATOM 1357 N GLY A 95 7.184 4.451 1.150 1.00 0.43 N ATOM 1358 CA GLY A 95 6.232 5.034 0.220 1.00 0.41 C ATOM 1359 C GLY A 95 4.814 5.002 0.795 1.00 0.41 C ATOM 1360 O GLY A 95 4.537 4.256 1.731 1.00 0.56 O ATOM 0 H GLY A 95 6.803 3.715 1.744 1.00 0.43 H new ATOM 0 HA2 GLY A 95 6.516 6.063 0.001 1.00 0.41 H new ATOM 0 HA3 GLY A 95 6.258 4.488 -0.723 1.00 0.41 H new ATOM 1364 N SER A 96 3.953 5.821 0.207 1.00 0.41 N ATOM 1365 CA SER A 96 2.571 5.896 0.649 1.00 0.46 C ATOM 1366 C SER A 96 1.663 6.248 -0.531 1.00 0.40 C ATOM 1367 O SER A 96 2.048 7.023 -1.405 1.00 0.44 O ATOM 1368 CB SER A 96 2.406 6.923 1.771 1.00 0.66 C ATOM 1369 OG SER A 96 3.662 7.399 2.248 1.00 0.93 O ATOM 0 H SER A 96 4.186 6.438 -0.571 1.00 0.41 H new ATOM 0 HA SER A 96 2.284 4.921 1.042 1.00 0.46 H new ATOM 0 HB2 SER A 96 1.814 7.763 1.409 1.00 0.66 H new ATOM 0 HB3 SER A 96 1.852 6.474 2.595 1.00 0.66 H new ATOM 0 HG SER A 96 3.514 8.054 2.962 1.00 0.93 H new ATOM 1375 N VAL A 97 0.476 5.661 -0.519 1.00 0.36 N ATOM 1376 CA VAL A 97 -0.490 5.904 -1.577 1.00 0.32 C ATOM 1377 C VAL A 97 -1.844 6.251 -0.956 1.00 0.34 C ATOM 1378 O VAL A 97 -2.603 5.360 -0.574 1.00 0.33 O ATOM 1379 CB VAL A 97 -0.554 4.696 -2.514 1.00 0.32 C ATOM 1380 CG1 VAL A 97 -1.432 4.991 -3.731 1.00 0.40 C ATOM 1381 CG2 VAL A 97 0.848 4.260 -2.943 1.00 0.38 C ATOM 0 H VAL A 97 0.161 5.017 0.207 1.00 0.36 H new ATOM 0 HA VAL A 97 -0.184 6.755 -2.185 1.00 0.32 H new ATOM 0 HB VAL A 97 -1.009 3.871 -1.965 1.00 0.32 H new ATOM 0 HG11 VAL A 97 -1.460 4.116 -4.380 1.00 0.40 H new ATOM 0 HG12 VAL A 97 -2.443 5.230 -3.401 1.00 0.40 H new ATOM 0 HG13 VAL A 97 -1.020 5.837 -4.281 1.00 0.40 H new ATOM 0 HG21 VAL A 97 0.774 3.400 -3.608 1.00 0.38 H new ATOM 0 HG22 VAL A 97 1.341 5.081 -3.464 1.00 0.38 H new ATOM 0 HG23 VAL A 97 1.430 3.988 -2.062 1.00 0.38 H new ATOM 1391 N THR A 98 -2.108 7.547 -0.874 1.00 0.41 N ATOM 1392 CA THR A 98 -3.357 8.022 -0.306 1.00 0.45 C ATOM 1393 C THR A 98 -4.458 8.027 -1.368 1.00 0.46 C ATOM 1394 O THR A 98 -4.217 8.395 -2.517 1.00 0.50 O ATOM 1395 CB THR A 98 -3.102 9.399 0.311 1.00 0.53 C ATOM 1396 OG1 THR A 98 -4.182 9.575 1.225 1.00 0.65 O ATOM 1397 CG2 THR A 98 -3.281 10.535 -0.699 1.00 0.56 C ATOM 0 H THR A 98 -1.477 8.283 -1.192 1.00 0.41 H new ATOM 0 HA THR A 98 -3.712 7.357 0.482 1.00 0.45 H new ATOM 0 HB THR A 98 -2.092 9.432 0.720 1.00 0.53 H new ATOM 0 HG1 THR A 98 -4.509 8.699 1.518 1.00 0.65 H new ATOM 0 HG21 THR A 98 -3.089 11.490 -0.210 1.00 0.56 H new ATOM 0 HG22 THR A 98 -2.581 10.402 -1.524 1.00 0.56 H new ATOM 0 HG23 THR A 98 -4.301 10.523 -1.083 1.00 0.56 H new ATOM 1405 N PHE A 99 -5.645 7.613 -0.946 1.00 0.46 N ATOM 1406 CA PHE A 99 -6.784 7.564 -1.847 1.00 0.50 C ATOM 1407 C PHE A 99 -8.097 7.726 -1.078 1.00 0.50 C ATOM 1408 O PHE A 99 -8.197 7.323 0.079 1.00 0.44 O ATOM 1409 CB PHE A 99 -6.765 6.189 -2.518 1.00 0.47 C ATOM 1410 CG PHE A 99 -7.135 5.036 -1.584 1.00 0.41 C ATOM 1411 CD1 PHE A 99 -8.413 4.903 -1.138 1.00 1.65 C ATOM 1412 CD2 PHE A 99 -6.186 4.142 -1.198 1.00 1.77 C ATOM 1413 CE1 PHE A 99 -8.757 3.832 -0.272 1.00 1.61 C ATOM 1414 CE2 PHE A 99 -6.528 3.071 -0.330 1.00 1.80 C ATOM 1415 CZ PHE A 99 -7.807 2.939 0.114 1.00 0.39 C ATOM 0 H PHE A 99 -5.842 7.309 0.007 1.00 0.46 H new ATOM 0 HA PHE A 99 -6.718 8.372 -2.575 1.00 0.50 H new ATOM 0 HB2 PHE A 99 -7.457 6.197 -3.360 1.00 0.47 H new ATOM 0 HB3 PHE A 99 -5.770 6.008 -2.925 1.00 0.47 H new ATOM 0 HD1 PHE A 99 -9.167 5.613 -1.443 1.00 1.65 H new ATOM 0 HD2 PHE A 99 -5.171 4.246 -1.552 1.00 1.77 H new ATOM 0 HE1 PHE A 99 -9.773 3.727 0.080 1.00 1.61 H new ATOM 0 HE2 PHE A 99 -5.773 2.362 -0.023 1.00 1.80 H new ATOM 0 HZ PHE A 99 -8.068 2.125 0.773 1.00 0.39 H new ATOM 1425 N LYS A 100 -9.072 8.315 -1.755 1.00 0.61 N ATOM 1426 CA LYS A 100 -10.376 8.535 -1.151 1.00 0.63 C ATOM 1427 C LYS A 100 -11.342 7.449 -1.625 1.00 0.62 C ATOM 1428 O LYS A 100 -11.050 6.725 -2.576 1.00 0.63 O ATOM 1429 CB LYS A 100 -10.863 9.958 -1.431 1.00 0.71 C ATOM 1430 CG LYS A 100 -10.033 10.985 -0.657 1.00 0.75 C ATOM 1431 CD LYS A 100 -10.715 12.354 -0.657 1.00 1.33 C ATOM 1432 CE LYS A 100 -11.369 12.640 0.696 1.00 2.26 C ATOM 1433 NZ LYS A 100 -12.584 13.468 0.519 1.00 3.03 N ATOM 0 H LYS A 100 -8.985 8.647 -2.716 1.00 0.61 H new ATOM 0 HA LYS A 100 -10.312 8.453 -0.066 1.00 0.63 H new ATOM 0 HB2 LYS A 100 -10.799 10.164 -2.499 1.00 0.71 H new ATOM 0 HB3 LYS A 100 -11.913 10.048 -1.151 1.00 0.71 H new ATOM 0 HG2 LYS A 100 -9.892 10.645 0.369 1.00 0.75 H new ATOM 0 HG3 LYS A 100 -9.042 11.068 -1.104 1.00 0.75 H new ATOM 0 HD2 LYS A 100 -9.983 13.129 -0.882 1.00 1.33 H new ATOM 0 HD3 LYS A 100 -11.468 12.389 -1.444 1.00 1.33 H new ATOM 0 HE2 LYS A 100 -11.629 11.702 1.187 1.00 2.26 H new ATOM 0 HE3 LYS A 100 -10.662 13.155 1.347 1.00 2.26 H new ATOM 0 HZ1 LYS A 100 -13.016 13.653 1.447 1.00 3.03 H new ATOM 0 HZ2 LYS A 100 -12.327 14.370 0.070 1.00 3.03 H new ATOM 0 HZ3 LYS A 100 -13.264 12.963 -0.085 1.00 3.03 H new ATOM 1447 N VAL A 101 -12.476 7.370 -0.943 1.00 0.62 N ATOM 1448 CA VAL A 101 -13.487 6.385 -1.284 1.00 0.62 C ATOM 1449 C VAL A 101 -14.875 6.977 -1.031 1.00 0.69 C ATOM 1450 O VAL A 101 -15.219 7.298 0.106 1.00 0.70 O ATOM 1451 CB VAL A 101 -13.239 5.090 -0.506 1.00 0.56 C ATOM 1452 CG1 VAL A 101 -14.335 4.062 -0.791 1.00 0.59 C ATOM 1453 CG2 VAL A 101 -11.855 4.519 -0.820 1.00 0.57 C ATOM 0 H VAL A 101 -12.716 7.973 -0.156 1.00 0.62 H new ATOM 0 HA VAL A 101 -13.430 6.129 -2.342 1.00 0.62 H new ATOM 0 HB VAL A 101 -13.270 5.326 0.558 1.00 0.56 H new ATOM 0 HG11 VAL A 101 -14.135 3.151 -0.226 1.00 0.59 H new ATOM 0 HG12 VAL A 101 -15.302 4.469 -0.494 1.00 0.59 H new ATOM 0 HG13 VAL A 101 -14.350 3.832 -1.856 1.00 0.59 H new ATOM 0 HG21 VAL A 101 -11.704 3.599 -0.255 1.00 0.57 H new ATOM 0 HG22 VAL A 101 -11.783 4.305 -1.886 1.00 0.57 H new ATOM 0 HG23 VAL A 101 -11.091 5.245 -0.543 1.00 0.57 H new ATOM 1463 N LYS A 102 -15.635 7.104 -2.109 1.00 0.78 N ATOM 1464 CA LYS A 102 -16.977 7.653 -2.019 1.00 0.87 C ATOM 1465 C LYS A 102 -17.994 6.510 -2.067 1.00 1.00 C ATOM 1466 O LYS A 102 -19.197 6.740 -1.954 1.00 1.26 O ATOM 1467 CB LYS A 102 -17.195 8.716 -3.095 1.00 0.85 C ATOM 1468 CG LYS A 102 -16.175 9.849 -2.961 1.00 0.85 C ATOM 1469 CD LYS A 102 -16.640 10.888 -1.940 1.00 1.29 C ATOM 1470 CE LYS A 102 -15.810 10.806 -0.657 1.00 2.63 C ATOM 1471 NZ LYS A 102 -16.692 10.805 0.531 1.00 3.84 N ATOM 1472 OXT LYS A 102 -17.617 5.341 -2.116 1.00 1.04 O ATOM 0 H LYS A 102 -15.346 6.836 -3.050 1.00 0.78 H new ATOM 0 HA LYS A 102 -17.116 8.165 -1.067 1.00 0.87 H new ATOM 0 HB2 LYS A 102 -17.112 8.262 -4.082 1.00 0.85 H new ATOM 0 HB3 LYS A 102 -18.204 9.119 -3.014 1.00 0.85 H new ATOM 0 HG2 LYS A 102 -15.211 9.441 -2.657 1.00 0.85 H new ATOM 0 HG3 LYS A 102 -16.027 10.327 -3.930 1.00 0.85 H new ATOM 0 HD2 LYS A 102 -16.556 11.887 -2.368 1.00 1.29 H new ATOM 0 HD3 LYS A 102 -17.693 10.728 -1.707 1.00 1.29 H new ATOM 0 HE2 LYS A 102 -15.202 9.901 -0.667 1.00 2.63 H new ATOM 0 HE3 LYS A 102 -15.123 11.651 -0.607 1.00 2.63 H new ATOM 0 HZ1 LYS A 102 -16.113 10.749 1.393 1.00 3.84 H new ATOM 0 HZ2 LYS A 102 -17.253 11.680 0.547 1.00 3.84 H new ATOM 0 HZ3 LYS A 102 -17.330 9.985 0.489 1.00 3.84 H new TER 1486 LYS A 102 HETATM 1487 CU CU A 103 18.744 1.580 -4.864 1.00 0.72 CU