USER MOD reduce.3.24.130724 H: found=0, std=0, add=455, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 453 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 NoAdj-H: A 40 HIS HD1 : A 40 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 35 THR OG1 : rot -88:sc= 0.866 USER MOD Set 1.2: A 41 ASN : amide:sc= -0.878 K(o=-0.012,f=-9.6!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 15 ASN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -2.62 X(o=-2.6,f=-2.3!) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 165:sc=-0.00475 (180deg=-0.192) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -160:sc= -0.822 USER MOD Single : A 49 GLN :FLIP amide:sc= 0.569 F(o=0,f=0.57) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0448 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 180:sc= -0.619 USER MOD Single : A 59 LYS NZ :NH3+ -132:sc= 0.00514 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 33.811 -38.408 -9.082 1.00 0.00 N ATOM 2 CA GLY A 1 33.803 -38.495 -10.531 1.00 0.00 C ATOM 3 C GLY A 1 34.908 -37.674 -11.167 1.00 0.00 C ATOM 4 O GLY A 1 36.033 -38.149 -11.319 1.00 0.00 O ATOM 0 H1 GLY A 1 33.038 -38.986 -8.695 1.00 0.00 H new ATOM 0 H2 GLY A 1 34.720 -38.758 -8.718 1.00 0.00 H new ATOM 0 H3 GLY A 1 33.681 -37.417 -8.793 1.00 0.00 H new ATOM 0 HA2 GLY A 1 33.911 -39.538 -10.830 1.00 0.00 H new ATOM 0 HA3 GLY A 1 32.839 -38.154 -10.907 1.00 0.00 H new ATOM 8 N SER A 2 34.586 -36.440 -11.540 1.00 0.00 N ATOM 9 CA SER A 2 35.558 -35.553 -12.168 1.00 0.00 C ATOM 10 C SER A 2 35.517 -34.166 -11.535 1.00 0.00 C ATOM 11 O SER A 2 34.475 -33.511 -11.515 1.00 0.00 O ATOM 12 CB SER A 2 35.289 -35.449 -13.671 1.00 0.00 C ATOM 13 OG SER A 2 36.055 -34.410 -14.255 1.00 0.00 O ATOM 0 H SER A 2 33.659 -36.031 -11.418 1.00 0.00 H new ATOM 0 HA SER A 2 36.551 -35.975 -12.012 1.00 0.00 H new ATOM 0 HB2 SER A 2 35.529 -36.397 -14.153 1.00 0.00 H new ATOM 0 HB3 SER A 2 34.229 -35.264 -13.842 1.00 0.00 H new ATOM 0 HG SER A 2 35.867 -34.365 -15.216 1.00 0.00 H new ATOM 19 N SER A 3 36.659 -33.724 -11.018 1.00 0.00 N ATOM 20 CA SER A 3 36.754 -32.416 -10.379 1.00 0.00 C ATOM 21 C SER A 3 37.837 -31.568 -11.039 1.00 0.00 C ATOM 22 O SER A 3 38.525 -32.020 -11.952 1.00 0.00 O ATOM 23 CB SER A 3 37.052 -32.574 -8.887 1.00 0.00 C ATOM 24 OG SER A 3 35.857 -32.736 -8.143 1.00 0.00 O ATOM 0 H SER A 3 37.531 -34.252 -11.029 1.00 0.00 H new ATOM 0 HA SER A 3 35.796 -31.909 -10.499 1.00 0.00 H new ATOM 0 HB2 SER A 3 37.701 -33.436 -8.732 1.00 0.00 H new ATOM 0 HB3 SER A 3 37.593 -31.699 -8.526 1.00 0.00 H new ATOM 0 HG SER A 3 36.074 -32.837 -7.193 1.00 0.00 H new ATOM 30 N GLY A 4 37.980 -30.332 -10.568 1.00 0.00 N ATOM 31 CA GLY A 4 38.980 -29.439 -11.123 1.00 0.00 C ATOM 32 C GLY A 4 39.380 -28.343 -10.154 1.00 0.00 C ATOM 33 O GLY A 4 40.558 -28.189 -9.834 1.00 0.00 O ATOM 0 H GLY A 4 37.422 -29.934 -9.813 1.00 0.00 H new ATOM 0 HA2 GLY A 4 39.863 -30.015 -11.400 1.00 0.00 H new ATOM 0 HA3 GLY A 4 38.593 -28.988 -12.037 1.00 0.00 H new ATOM 37 N SER A 5 38.396 -27.580 -9.688 1.00 0.00 N ATOM 38 CA SER A 5 38.653 -26.489 -8.755 1.00 0.00 C ATOM 39 C SER A 5 37.650 -26.511 -7.605 1.00 0.00 C ATOM 40 O SER A 5 36.439 -26.483 -7.823 1.00 0.00 O ATOM 41 CB SER A 5 38.585 -25.143 -9.479 1.00 0.00 C ATOM 42 OG SER A 5 39.568 -25.062 -10.497 1.00 0.00 O ATOM 0 H SER A 5 37.415 -27.697 -9.941 1.00 0.00 H new ATOM 0 HA SER A 5 39.654 -26.623 -8.345 1.00 0.00 H new ATOM 0 HB2 SER A 5 37.594 -25.010 -9.914 1.00 0.00 H new ATOM 0 HB3 SER A 5 38.730 -24.334 -8.763 1.00 0.00 H new ATOM 0 HG SER A 5 39.503 -24.193 -10.946 1.00 0.00 H new ATOM 48 N SER A 6 38.164 -26.562 -6.381 1.00 0.00 N ATOM 49 CA SER A 6 37.315 -26.592 -5.196 1.00 0.00 C ATOM 50 C SER A 6 37.717 -25.498 -4.211 1.00 0.00 C ATOM 51 O SER A 6 38.889 -25.139 -4.110 1.00 0.00 O ATOM 52 CB SER A 6 37.399 -27.961 -4.517 1.00 0.00 C ATOM 53 OG SER A 6 38.737 -28.280 -4.177 1.00 0.00 O ATOM 0 H SER A 6 39.164 -26.583 -6.184 1.00 0.00 H new ATOM 0 HA SER A 6 36.287 -26.413 -5.511 1.00 0.00 H new ATOM 0 HB2 SER A 6 36.782 -27.963 -3.619 1.00 0.00 H new ATOM 0 HB3 SER A 6 36.997 -28.726 -5.182 1.00 0.00 H new ATOM 0 HG SER A 6 38.764 -29.158 -3.743 1.00 0.00 H new ATOM 59 N GLY A 7 36.734 -24.972 -3.487 1.00 0.00 N ATOM 60 CA GLY A 7 37.004 -23.924 -2.520 1.00 0.00 C ATOM 61 C GLY A 7 38.237 -24.209 -1.686 1.00 0.00 C ATOM 62 O GLY A 7 38.418 -25.322 -1.195 1.00 0.00 O ATOM 0 H GLY A 7 35.756 -25.253 -3.553 1.00 0.00 H new ATOM 0 HA2 GLY A 7 37.134 -22.976 -3.043 1.00 0.00 H new ATOM 0 HA3 GLY A 7 36.142 -23.810 -1.862 1.00 0.00 H new ATOM 66 N MET A 8 39.088 -23.200 -1.526 1.00 0.00 N ATOM 67 CA MET A 8 40.311 -23.348 -0.745 1.00 0.00 C ATOM 68 C MET A 8 40.047 -23.081 0.733 1.00 0.00 C ATOM 69 O MET A 8 40.664 -23.695 1.604 1.00 0.00 O ATOM 70 CB MET A 8 41.391 -22.397 -1.263 1.00 0.00 C ATOM 71 CG MET A 8 40.966 -20.937 -1.263 1.00 0.00 C ATOM 72 SD MET A 8 42.363 -19.807 -1.406 1.00 0.00 S ATOM 73 CE MET A 8 41.630 -18.285 -0.811 1.00 0.00 C ATOM 0 H MET A 8 38.953 -22.272 -1.927 1.00 0.00 H new ATOM 0 HA MET A 8 40.660 -24.375 -0.854 1.00 0.00 H new ATOM 0 HB2 MET A 8 42.285 -22.507 -0.649 1.00 0.00 H new ATOM 0 HB3 MET A 8 41.663 -22.688 -2.278 1.00 0.00 H new ATOM 0 HG2 MET A 8 40.277 -20.763 -2.090 1.00 0.00 H new ATOM 0 HG3 MET A 8 40.422 -20.721 -0.344 1.00 0.00 H new ATOM 0 HE1 MET A 8 42.373 -17.488 -0.839 1.00 0.00 H new ATOM 0 HE2 MET A 8 40.785 -18.016 -1.445 1.00 0.00 H new ATOM 0 HE3 MET A 8 41.285 -18.424 0.214 1.00 0.00 H new ATOM 83 N ALA A 9 39.129 -22.161 1.009 1.00 0.00 N ATOM 84 CA ALA A 9 38.784 -21.814 2.382 1.00 0.00 C ATOM 85 C ALA A 9 37.386 -22.310 2.739 1.00 0.00 C ATOM 86 O ALA A 9 36.476 -22.276 1.912 1.00 0.00 O ATOM 87 CB ALA A 9 38.880 -20.309 2.586 1.00 0.00 C ATOM 0 H ALA A 9 38.611 -21.642 0.300 1.00 0.00 H new ATOM 0 HA ALA A 9 39.496 -22.306 3.045 1.00 0.00 H new ATOM 0 HB1 ALA A 9 38.620 -20.064 3.616 1.00 0.00 H new ATOM 0 HB2 ALA A 9 39.898 -19.978 2.381 1.00 0.00 H new ATOM 0 HB3 ALA A 9 38.191 -19.805 1.908 1.00 0.00 H new ATOM 93 N SER A 10 37.225 -22.770 3.975 1.00 0.00 N ATOM 94 CA SER A 10 35.939 -23.278 4.440 1.00 0.00 C ATOM 95 C SER A 10 35.681 -22.862 5.885 1.00 0.00 C ATOM 96 O SER A 10 36.592 -22.433 6.592 1.00 0.00 O ATOM 97 CB SER A 10 35.895 -24.802 4.321 1.00 0.00 C ATOM 98 OG SER A 10 35.468 -25.201 3.030 1.00 0.00 O ATOM 0 H SER A 10 37.968 -22.802 4.673 1.00 0.00 H new ATOM 0 HA SER A 10 35.159 -22.849 3.811 1.00 0.00 H new ATOM 0 HB2 SER A 10 36.883 -25.214 4.524 1.00 0.00 H new ATOM 0 HB3 SER A 10 35.219 -25.209 5.073 1.00 0.00 H new ATOM 0 HG SER A 10 35.450 -26.180 2.979 1.00 0.00 H new ATOM 104 N GLY A 11 34.430 -22.992 6.318 1.00 0.00 N ATOM 105 CA GLY A 11 34.073 -22.626 7.676 1.00 0.00 C ATOM 106 C GLY A 11 32.983 -21.574 7.725 1.00 0.00 C ATOM 107 O GLY A 11 32.056 -21.670 8.528 1.00 0.00 O ATOM 0 H GLY A 11 33.658 -23.344 5.752 1.00 0.00 H new ATOM 0 HA2 GLY A 11 33.741 -23.514 8.213 1.00 0.00 H new ATOM 0 HA3 GLY A 11 34.957 -22.253 8.193 1.00 0.00 H new ATOM 111 N GLN A 12 33.095 -20.567 6.865 1.00 0.00 N ATOM 112 CA GLN A 12 32.111 -19.492 6.816 1.00 0.00 C ATOM 113 C GLN A 12 30.806 -19.976 6.192 1.00 0.00 C ATOM 114 O GLN A 12 30.764 -20.334 5.015 1.00 0.00 O ATOM 115 CB GLN A 12 32.660 -18.305 6.022 1.00 0.00 C ATOM 116 CG GLN A 12 33.854 -17.632 6.680 1.00 0.00 C ATOM 117 CD GLN A 12 34.449 -16.532 5.825 1.00 0.00 C ATOM 118 OE1 GLN A 12 33.794 -16.008 4.922 1.00 0.00 O ATOM 119 NE2 GLN A 12 35.697 -16.174 6.103 1.00 0.00 N ATOM 0 H GLN A 12 33.857 -20.473 6.193 1.00 0.00 H new ATOM 0 HA GLN A 12 31.907 -19.173 7.838 1.00 0.00 H new ATOM 0 HB2 GLN A 12 32.948 -18.646 5.028 1.00 0.00 H new ATOM 0 HB3 GLN A 12 31.867 -17.569 5.889 1.00 0.00 H new ATOM 0 HG2 GLN A 12 33.548 -17.215 7.640 1.00 0.00 H new ATOM 0 HG3 GLN A 12 34.619 -18.380 6.887 1.00 0.00 H new ATOM 0 HE21 GLN A 12 36.203 -16.634 6.860 1.00 0.00 H new ATOM 0 HE22 GLN A 12 36.150 -15.439 5.560 1.00 0.00 H new ATOM 128 N PHE A 13 29.743 -19.985 6.990 1.00 0.00 N ATOM 129 CA PHE A 13 28.436 -20.426 6.516 1.00 0.00 C ATOM 130 C PHE A 13 27.595 -19.239 6.057 1.00 0.00 C ATOM 131 O PHE A 13 27.788 -18.113 6.513 1.00 0.00 O ATOM 132 CB PHE A 13 27.702 -21.190 7.620 1.00 0.00 C ATOM 133 CG PHE A 13 28.089 -22.638 7.707 1.00 0.00 C ATOM 134 CD1 PHE A 13 27.457 -23.587 6.919 1.00 0.00 C ATOM 135 CD2 PHE A 13 29.086 -23.052 8.576 1.00 0.00 C ATOM 136 CE1 PHE A 13 27.811 -24.920 6.998 1.00 0.00 C ATOM 137 CE2 PHE A 13 29.445 -24.384 8.659 1.00 0.00 C ATOM 138 CZ PHE A 13 28.807 -25.319 7.868 1.00 0.00 C ATOM 0 H PHE A 13 29.761 -19.692 7.967 1.00 0.00 H new ATOM 0 HA PHE A 13 28.590 -21.089 5.665 1.00 0.00 H new ATOM 0 HB2 PHE A 13 27.903 -20.710 8.578 1.00 0.00 H new ATOM 0 HB3 PHE A 13 26.628 -21.119 7.447 1.00 0.00 H new ATOM 0 HD1 PHE A 13 26.679 -23.281 6.235 1.00 0.00 H new ATOM 0 HD2 PHE A 13 29.589 -22.325 9.196 1.00 0.00 H new ATOM 0 HE1 PHE A 13 27.309 -25.650 6.380 1.00 0.00 H new ATOM 0 HE2 PHE A 13 30.223 -24.693 9.341 1.00 0.00 H new ATOM 0 HZ PHE A 13 29.086 -26.360 7.929 1.00 0.00 H new ATOM 148 N VAL A 14 26.659 -19.501 5.149 1.00 0.00 N ATOM 149 CA VAL A 14 25.787 -18.456 4.627 1.00 0.00 C ATOM 150 C VAL A 14 24.542 -18.295 5.493 1.00 0.00 C ATOM 151 O VAL A 14 24.301 -19.087 6.403 1.00 0.00 O ATOM 152 CB VAL A 14 25.357 -18.755 3.179 1.00 0.00 C ATOM 153 CG1 VAL A 14 26.566 -18.786 2.257 1.00 0.00 C ATOM 154 CG2 VAL A 14 24.592 -20.069 3.112 1.00 0.00 C ATOM 0 H VAL A 14 26.486 -20.428 4.760 1.00 0.00 H new ATOM 0 HA VAL A 14 26.360 -17.529 4.644 1.00 0.00 H new ATOM 0 HB VAL A 14 24.695 -17.957 2.843 1.00 0.00 H new ATOM 0 HG11 VAL A 14 26.241 -18.999 1.238 1.00 0.00 H new ATOM 0 HG12 VAL A 14 27.068 -17.819 2.283 1.00 0.00 H new ATOM 0 HG13 VAL A 14 27.256 -19.562 2.588 1.00 0.00 H new ATOM 0 HG21 VAL A 14 24.295 -20.265 2.082 1.00 0.00 H new ATOM 0 HG22 VAL A 14 25.229 -20.879 3.467 1.00 0.00 H new ATOM 0 HG23 VAL A 14 23.703 -20.005 3.739 1.00 0.00 H new ATOM 164 N ASN A 15 23.755 -17.265 5.202 1.00 0.00 N ATOM 165 CA ASN A 15 22.534 -17.000 5.955 1.00 0.00 C ATOM 166 C ASN A 15 21.301 -17.391 5.146 1.00 0.00 C ATOM 167 O ASN A 15 21.404 -17.760 3.975 1.00 0.00 O ATOM 168 CB ASN A 15 22.458 -15.521 6.339 1.00 0.00 C ATOM 169 CG ASN A 15 23.383 -15.174 7.489 1.00 0.00 C ATOM 170 OD1 ASN A 15 24.491 -15.702 7.590 1.00 0.00 O ATOM 171 ND2 ASN A 15 22.933 -14.281 8.362 1.00 0.00 N ATOM 0 H ASN A 15 23.940 -16.600 4.451 1.00 0.00 H new ATOM 0 HA ASN A 15 22.558 -17.603 6.863 1.00 0.00 H new ATOM 0 HB2 ASN A 15 22.714 -14.910 5.473 1.00 0.00 H new ATOM 0 HB3 ASN A 15 21.433 -15.272 6.613 1.00 0.00 H new ATOM 0 HD21 ASN A 15 23.512 -14.007 9.156 1.00 0.00 H new ATOM 0 HD22 ASN A 15 22.008 -13.869 8.239 1.00 0.00 H new ATOM 178 N LYS A 16 20.135 -17.308 5.777 1.00 0.00 N ATOM 179 CA LYS A 16 18.881 -17.651 5.117 1.00 0.00 C ATOM 180 C LYS A 16 18.585 -16.684 3.975 1.00 0.00 C ATOM 181 O LYS A 16 19.245 -15.654 3.833 1.00 0.00 O ATOM 182 CB LYS A 16 17.729 -17.634 6.125 1.00 0.00 C ATOM 183 CG LYS A 16 17.839 -18.710 7.192 1.00 0.00 C ATOM 184 CD LYS A 16 16.959 -18.399 8.391 1.00 0.00 C ATOM 185 CE LYS A 16 16.848 -19.593 9.326 1.00 0.00 C ATOM 186 NZ LYS A 16 15.561 -19.592 10.076 1.00 0.00 N ATOM 0 H LYS A 16 20.032 -17.006 6.746 1.00 0.00 H new ATOM 0 HA LYS A 16 18.980 -18.655 4.704 1.00 0.00 H new ATOM 0 HB2 LYS A 16 17.694 -16.657 6.608 1.00 0.00 H new ATOM 0 HB3 LYS A 16 16.787 -17.759 5.590 1.00 0.00 H new ATOM 0 HG2 LYS A 16 17.553 -19.673 6.770 1.00 0.00 H new ATOM 0 HG3 LYS A 16 18.876 -18.799 7.514 1.00 0.00 H new ATOM 0 HD2 LYS A 16 17.370 -17.548 8.934 1.00 0.00 H new ATOM 0 HD3 LYS A 16 15.965 -18.110 8.049 1.00 0.00 H new ATOM 0 HE2 LYS A 16 16.932 -20.515 8.750 1.00 0.00 H new ATOM 0 HE3 LYS A 16 17.679 -19.581 10.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 15.524 -20.421 10.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 15.492 -18.725 10.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 14.768 -19.629 9.404 1.00 0.00 H new ATOM 200 N LEU A 17 17.588 -17.021 3.165 1.00 0.00 N ATOM 201 CA LEU A 17 17.203 -16.181 2.035 1.00 0.00 C ATOM 202 C LEU A 17 16.293 -15.044 2.488 1.00 0.00 C ATOM 203 O LEU A 17 15.933 -14.954 3.661 1.00 0.00 O ATOM 204 CB LEU A 17 16.498 -17.020 0.968 1.00 0.00 C ATOM 205 CG LEU A 17 15.347 -17.900 1.457 1.00 0.00 C ATOM 206 CD1 LEU A 17 14.293 -17.058 2.158 1.00 0.00 C ATOM 207 CD2 LEU A 17 14.733 -18.668 0.296 1.00 0.00 C ATOM 0 H LEU A 17 17.031 -17.869 3.269 1.00 0.00 H new ATOM 0 HA LEU A 17 18.109 -15.749 1.609 1.00 0.00 H new ATOM 0 HB2 LEU A 17 16.114 -16.347 0.201 1.00 0.00 H new ATOM 0 HB3 LEU A 17 17.239 -17.660 0.489 1.00 0.00 H new ATOM 0 HG LEU A 17 15.744 -18.620 2.173 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.482 -17.701 2.499 1.00 0.00 H new ATOM 0 HD12 LEU A 17 14.741 -16.553 3.014 1.00 0.00 H new ATOM 0 HD13 LEU A 17 13.900 -16.315 1.464 1.00 0.00 H new ATOM 0 HD21 LEU A 17 13.916 -19.289 0.662 1.00 0.00 H new ATOM 0 HD22 LEU A 17 14.351 -17.965 -0.444 1.00 0.00 H new ATOM 0 HD23 LEU A 17 15.492 -19.301 -0.163 1.00 0.00 H new ATOM 219 N GLN A 18 15.922 -14.180 1.548 1.00 0.00 N ATOM 220 CA GLN A 18 15.052 -13.050 1.850 1.00 0.00 C ATOM 221 C GLN A 18 14.236 -12.648 0.626 1.00 0.00 C ATOM 222 O GLN A 18 14.496 -13.112 -0.483 1.00 0.00 O ATOM 223 CB GLN A 18 15.878 -11.860 2.341 1.00 0.00 C ATOM 224 CG GLN A 18 16.903 -11.372 1.329 1.00 0.00 C ATOM 225 CD GLN A 18 16.298 -10.463 0.277 1.00 0.00 C ATOM 226 OE1 GLN A 18 15.802 -10.927 -0.750 1.00 0.00 O ATOM 227 NE2 GLN A 18 16.335 -9.160 0.529 1.00 0.00 N ATOM 0 H GLN A 18 16.210 -14.241 0.572 1.00 0.00 H new ATOM 0 HA GLN A 18 14.363 -13.355 2.638 1.00 0.00 H new ATOM 0 HB2 GLN A 18 15.205 -11.039 2.589 1.00 0.00 H new ATOM 0 HB3 GLN A 18 16.392 -12.140 3.260 1.00 0.00 H new ATOM 0 HG2 GLN A 18 17.698 -10.839 1.851 1.00 0.00 H new ATOM 0 HG3 GLN A 18 17.363 -12.231 0.840 1.00 0.00 H new ATOM 0 HE21 GLN A 18 16.756 -8.819 1.393 1.00 0.00 H new ATOM 0 HE22 GLN A 18 15.942 -8.499 -0.142 1.00 0.00 H new ATOM 236 N GLU A 19 13.249 -11.782 0.836 1.00 0.00 N ATOM 237 CA GLU A 19 12.396 -11.319 -0.251 1.00 0.00 C ATOM 238 C GLU A 19 11.977 -9.868 -0.034 1.00 0.00 C ATOM 239 O GLU A 19 11.900 -9.397 1.100 1.00 0.00 O ATOM 240 CB GLU A 19 11.155 -12.207 -0.369 1.00 0.00 C ATOM 241 CG GLU A 19 10.121 -11.682 -1.350 1.00 0.00 C ATOM 242 CD GLU A 19 9.084 -12.724 -1.719 1.00 0.00 C ATOM 243 OE1 GLU A 19 9.428 -13.925 -1.730 1.00 0.00 O ATOM 244 OE2 GLU A 19 7.928 -12.341 -1.996 1.00 0.00 O ATOM 0 H GLU A 19 13.021 -11.388 1.749 1.00 0.00 H new ATOM 0 HA GLU A 19 12.967 -11.380 -1.177 1.00 0.00 H new ATOM 0 HB2 GLU A 19 11.462 -13.206 -0.678 1.00 0.00 H new ATOM 0 HB3 GLU A 19 10.694 -12.305 0.614 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.621 -10.816 -0.916 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.625 -11.340 -2.254 1.00 0.00 H new ATOM 251 N GLU A 20 11.709 -9.165 -1.130 1.00 0.00 N ATOM 252 CA GLU A 20 11.299 -7.767 -1.059 1.00 0.00 C ATOM 253 C GLU A 20 9.782 -7.639 -1.160 1.00 0.00 C ATOM 254 O GLU A 20 9.137 -8.349 -1.932 1.00 0.00 O ATOM 255 CB GLU A 20 11.965 -6.961 -2.176 1.00 0.00 C ATOM 256 CG GLU A 20 13.447 -6.715 -1.948 1.00 0.00 C ATOM 257 CD GLU A 20 13.951 -5.478 -2.666 1.00 0.00 C ATOM 258 OE1 GLU A 20 13.271 -4.433 -2.593 1.00 0.00 O ATOM 259 OE2 GLU A 20 15.023 -5.554 -3.300 1.00 0.00 O ATOM 0 H GLU A 20 11.768 -9.540 -2.077 1.00 0.00 H new ATOM 0 HA GLU A 20 11.616 -7.370 -0.095 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.834 -7.488 -3.121 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.457 -6.002 -2.273 1.00 0.00 H new ATOM 0 HG2 GLU A 20 13.634 -6.611 -0.879 1.00 0.00 H new ATOM 0 HG3 GLU A 20 14.012 -7.583 -2.288 1.00 0.00 H new ATOM 266 N VAL A 21 9.217 -6.728 -0.373 1.00 0.00 N ATOM 267 CA VAL A 21 7.777 -6.506 -0.373 1.00 0.00 C ATOM 268 C VAL A 21 7.413 -5.262 -1.177 1.00 0.00 C ATOM 269 O VAL A 21 8.113 -4.251 -1.125 1.00 0.00 O ATOM 270 CB VAL A 21 7.232 -6.355 1.060 1.00 0.00 C ATOM 271 CG1 VAL A 21 5.736 -6.080 1.036 1.00 0.00 C ATOM 272 CG2 VAL A 21 7.541 -7.598 1.880 1.00 0.00 C ATOM 0 H VAL A 21 9.736 -6.132 0.272 1.00 0.00 H new ATOM 0 HA VAL A 21 7.322 -7.381 -0.836 1.00 0.00 H new ATOM 0 HB VAL A 21 7.726 -5.505 1.531 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.369 -5.976 2.057 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.544 -5.159 0.486 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.222 -6.908 0.548 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.149 -7.475 2.890 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.076 -8.466 1.414 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.620 -7.745 1.925 1.00 0.00 H new ATOM 282 N ILE A 22 6.313 -5.344 -1.918 1.00 0.00 N ATOM 283 CA ILE A 22 5.855 -4.225 -2.731 1.00 0.00 C ATOM 284 C ILE A 22 4.384 -3.920 -2.470 1.00 0.00 C ATOM 285 O ILE A 22 3.598 -4.818 -2.167 1.00 0.00 O ATOM 286 CB ILE A 22 6.051 -4.503 -4.234 1.00 0.00 C ATOM 287 CG1 ILE A 22 7.537 -4.678 -4.553 1.00 0.00 C ATOM 288 CG2 ILE A 22 5.455 -3.376 -5.063 1.00 0.00 C ATOM 289 CD1 ILE A 22 8.352 -3.420 -4.347 1.00 0.00 C ATOM 0 H ILE A 22 5.723 -6.174 -1.972 1.00 0.00 H new ATOM 0 HA ILE A 22 6.458 -3.362 -2.447 1.00 0.00 H new ATOM 0 HB ILE A 22 5.533 -5.428 -4.488 1.00 0.00 H new ATOM 0 HG12 ILE A 22 7.944 -5.471 -3.926 1.00 0.00 H new ATOM 0 HG13 ILE A 22 7.642 -5.004 -5.588 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.601 -3.587 -6.122 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.388 -3.295 -4.853 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.947 -2.437 -4.808 1.00 0.00 H new ATOM 0 HD11 ILE A 22 9.395 -3.618 -4.592 1.00 0.00 H new ATOM 0 HD12 ILE A 22 7.971 -2.630 -4.994 1.00 0.00 H new ATOM 0 HD13 ILE A 22 8.277 -3.105 -3.306 1.00 0.00 H new ATOM 301 N CYS A 23 4.018 -2.649 -2.590 1.00 0.00 N ATOM 302 CA CYS A 23 2.641 -2.225 -2.369 1.00 0.00 C ATOM 303 C CYS A 23 1.798 -2.438 -3.622 1.00 0.00 C ATOM 304 O CYS A 23 2.072 -1.884 -4.687 1.00 0.00 O ATOM 305 CB CYS A 23 2.599 -0.752 -1.957 1.00 0.00 C ATOM 306 SG CYS A 23 1.007 -0.223 -1.247 1.00 0.00 S ATOM 0 H CYS A 23 4.657 -1.894 -2.839 1.00 0.00 H new ATOM 0 HA CYS A 23 2.225 -2.833 -1.565 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.389 -0.567 -1.229 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.818 -0.136 -2.829 1.00 0.00 H new ATOM 311 N PRO A 24 0.746 -3.260 -3.494 1.00 0.00 N ATOM 312 CA PRO A 24 -0.160 -3.565 -4.606 1.00 0.00 C ATOM 313 C PRO A 24 -1.019 -2.368 -4.999 1.00 0.00 C ATOM 314 O PRO A 24 -1.822 -2.448 -5.930 1.00 0.00 O ATOM 315 CB PRO A 24 -1.035 -4.692 -4.051 1.00 0.00 C ATOM 316 CG PRO A 24 -1.004 -4.503 -2.574 1.00 0.00 C ATOM 317 CD PRO A 24 0.359 -3.955 -2.255 1.00 0.00 C ATOM 0 HA PRO A 24 0.383 -3.835 -5.512 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -2.053 -4.630 -4.437 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.646 -5.670 -4.333 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -1.786 -3.815 -2.252 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.176 -5.447 -2.056 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.329 -3.274 -1.405 1.00 0.00 H new ATOM 0 HD3 PRO A 24 1.062 -4.749 -2.003 1.00 0.00 H new ATOM 325 N ILE A 25 -0.844 -1.261 -4.286 1.00 0.00 N ATOM 326 CA ILE A 25 -1.603 -0.047 -4.563 1.00 0.00 C ATOM 327 C ILE A 25 -0.795 0.923 -5.417 1.00 0.00 C ATOM 328 O ILE A 25 -1.175 1.240 -6.545 1.00 0.00 O ATOM 329 CB ILE A 25 -2.026 0.661 -3.262 1.00 0.00 C ATOM 330 CG1 ILE A 25 -2.928 -0.252 -2.429 1.00 0.00 C ATOM 331 CG2 ILE A 25 -2.734 1.970 -3.578 1.00 0.00 C ATOM 332 CD1 ILE A 25 -3.109 0.217 -1.002 1.00 0.00 C ATOM 0 H ILE A 25 -0.184 -1.179 -3.513 1.00 0.00 H new ATOM 0 HA ILE A 25 -2.496 -0.350 -5.109 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.132 0.885 -2.680 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.905 -0.319 -2.908 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.507 -1.257 -2.422 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.027 2.459 -2.649 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.061 2.622 -4.135 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.622 1.768 -4.177 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.760 -0.477 -0.471 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.139 0.257 -0.506 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.559 1.210 -1.000 1.00 0.00 H new ATOM 344 N CYS A 26 0.324 1.392 -4.873 1.00 0.00 N ATOM 345 CA CYS A 26 1.188 2.326 -5.585 1.00 0.00 C ATOM 346 C CYS A 26 2.266 1.581 -6.367 1.00 0.00 C ATOM 347 O CYS A 26 3.045 2.187 -7.103 1.00 0.00 O ATOM 348 CB CYS A 26 1.838 3.302 -4.602 1.00 0.00 C ATOM 349 SG CYS A 26 2.536 2.509 -3.119 1.00 0.00 S ATOM 0 H CYS A 26 0.653 1.140 -3.941 1.00 0.00 H new ATOM 0 HA CYS A 26 0.574 2.886 -6.290 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.630 3.846 -5.117 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.095 4.037 -4.292 1.00 0.00 H new ATOM 354 N LEU A 27 2.304 0.263 -6.203 1.00 0.00 N ATOM 355 CA LEU A 27 3.286 -0.566 -6.893 1.00 0.00 C ATOM 356 C LEU A 27 4.704 -0.082 -6.608 1.00 0.00 C ATOM 357 O LEU A 27 5.532 0.015 -7.515 1.00 0.00 O ATOM 358 CB LEU A 27 3.024 -0.553 -8.400 1.00 0.00 C ATOM 359 CG LEU A 27 1.708 -1.184 -8.858 1.00 0.00 C ATOM 360 CD1 LEU A 27 1.462 -0.895 -10.331 1.00 0.00 C ATOM 361 CD2 LEU A 27 1.717 -2.683 -8.600 1.00 0.00 C ATOM 0 H LEU A 27 1.666 -0.254 -5.598 1.00 0.00 H new ATOM 0 HA LEU A 27 3.189 -1.586 -6.522 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.047 0.481 -8.744 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.844 -1.072 -8.896 1.00 0.00 H new ATOM 0 HG LEU A 27 0.895 -0.742 -8.282 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.521 -1.352 -10.639 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.410 0.183 -10.487 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.278 -1.309 -10.924 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.773 -3.115 -8.932 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.539 -3.142 -9.149 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.845 -2.868 -7.533 1.00 0.00 H new ATOM 373 N ASP A 28 4.978 0.219 -5.344 1.00 0.00 N ATOM 374 CA ASP A 28 6.297 0.690 -4.938 1.00 0.00 C ATOM 375 C ASP A 28 6.698 0.091 -3.594 1.00 0.00 C ATOM 376 O ASP A 28 5.844 -0.298 -2.797 1.00 0.00 O ATOM 377 CB ASP A 28 6.314 2.217 -4.856 1.00 0.00 C ATOM 378 CG ASP A 28 7.689 2.764 -4.527 1.00 0.00 C ATOM 379 OD1 ASP A 28 8.498 2.938 -5.462 1.00 0.00 O ATOM 380 OD2 ASP A 28 7.956 3.018 -3.334 1.00 0.00 O ATOM 0 H ASP A 28 4.304 0.145 -4.582 1.00 0.00 H new ATOM 0 HA ASP A 28 7.018 0.367 -5.689 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.979 2.633 -5.806 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.604 2.545 -4.096 1.00 0.00 H new ATOM 385 N ILE A 29 8.002 0.020 -3.349 1.00 0.00 N ATOM 386 CA ILE A 29 8.516 -0.531 -2.101 1.00 0.00 C ATOM 387 C ILE A 29 7.930 0.198 -0.896 1.00 0.00 C ATOM 388 O ILE A 29 7.863 1.428 -0.873 1.00 0.00 O ATOM 389 CB ILE A 29 10.052 -0.448 -2.039 1.00 0.00 C ATOM 390 CG1 ILE A 29 10.673 -1.216 -3.208 1.00 0.00 C ATOM 391 CG2 ILE A 29 10.559 -0.993 -0.712 1.00 0.00 C ATOM 392 CD1 ILE A 29 12.141 -0.917 -3.416 1.00 0.00 C ATOM 0 H ILE A 29 8.722 0.337 -3.998 1.00 0.00 H new ATOM 0 HA ILE A 29 8.216 -1.578 -2.071 1.00 0.00 H new ATOM 0 HB ILE A 29 10.348 0.598 -2.117 1.00 0.00 H new ATOM 0 HG12 ILE A 29 10.549 -2.285 -3.036 1.00 0.00 H new ATOM 0 HG13 ILE A 29 10.129 -0.975 -4.121 1.00 0.00 H new ATOM 0 HG21 ILE A 29 11.647 -0.928 -0.683 1.00 0.00 H new ATOM 0 HG22 ILE A 29 10.139 -0.408 0.106 1.00 0.00 H new ATOM 0 HG23 ILE A 29 10.255 -2.035 -0.607 1.00 0.00 H new ATOM 0 HD11 ILE A 29 12.514 -1.496 -4.261 1.00 0.00 H new ATOM 0 HD12 ILE A 29 12.271 0.146 -3.619 1.00 0.00 H new ATOM 0 HD13 ILE A 29 12.698 -1.185 -2.518 1.00 0.00 H new ATOM 404 N LEU A 30 7.509 -0.568 0.104 1.00 0.00 N ATOM 405 CA LEU A 30 6.931 0.004 1.315 1.00 0.00 C ATOM 406 C LEU A 30 7.942 -0.002 2.457 1.00 0.00 C ATOM 407 O LEU A 30 8.209 -1.044 3.056 1.00 0.00 O ATOM 408 CB LEU A 30 5.679 -0.774 1.723 1.00 0.00 C ATOM 409 CG LEU A 30 5.728 -2.287 1.504 1.00 0.00 C ATOM 410 CD1 LEU A 30 4.792 -2.997 2.470 1.00 0.00 C ATOM 411 CD2 LEU A 30 5.371 -2.629 0.065 1.00 0.00 C ATOM 0 H LEU A 30 7.557 -1.587 0.100 1.00 0.00 H new ATOM 0 HA LEU A 30 6.656 1.037 1.103 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.487 -0.586 2.779 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.830 -0.374 1.168 1.00 0.00 H new ATOM 0 HG LEU A 30 6.744 -2.630 1.697 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.840 -4.072 2.299 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.092 -2.778 3.495 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.771 -2.650 2.309 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.411 -3.710 -0.073 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.365 -2.272 -0.155 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.081 -2.151 -0.610 1.00 0.00 H new ATOM 423 N GLN A 31 8.498 1.168 2.754 1.00 0.00 N ATOM 424 CA GLN A 31 9.479 1.296 3.826 1.00 0.00 C ATOM 425 C GLN A 31 9.120 0.395 5.003 1.00 0.00 C ATOM 426 O GLN A 31 9.856 -0.534 5.335 1.00 0.00 O ATOM 427 CB GLN A 31 9.570 2.751 4.291 1.00 0.00 C ATOM 428 CG GLN A 31 10.221 3.675 3.274 1.00 0.00 C ATOM 429 CD GLN A 31 10.931 4.847 3.922 1.00 0.00 C ATOM 430 OE1 GLN A 31 10.311 5.662 4.606 1.00 0.00 O ATOM 431 NE2 GLN A 31 12.239 4.938 3.710 1.00 0.00 N ATOM 0 H GLN A 31 8.287 2.040 2.268 1.00 0.00 H new ATOM 0 HA GLN A 31 10.448 0.985 3.437 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.567 3.117 4.512 1.00 0.00 H new ATOM 0 HB3 GLN A 31 10.136 2.792 5.221 1.00 0.00 H new ATOM 0 HG2 GLN A 31 10.935 3.107 2.677 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.460 4.049 2.589 1.00 0.00 H new ATOM 0 HE21 GLN A 31 12.712 4.240 3.136 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.770 5.706 4.121 1.00 0.00 H new ATOM 440 N LYS A 32 7.984 0.677 5.632 1.00 0.00 N ATOM 441 CA LYS A 32 7.525 -0.108 6.773 1.00 0.00 C ATOM 442 C LYS A 32 6.376 -1.027 6.373 1.00 0.00 C ATOM 443 O LYS A 32 5.228 -0.603 6.239 1.00 0.00 O ATOM 444 CB LYS A 32 7.082 0.817 7.909 1.00 0.00 C ATOM 445 CG LYS A 32 8.237 1.480 8.639 1.00 0.00 C ATOM 446 CD LYS A 32 7.817 2.799 9.266 1.00 0.00 C ATOM 447 CE LYS A 32 9.012 3.552 9.831 1.00 0.00 C ATOM 448 NZ LYS A 32 9.919 4.040 8.756 1.00 0.00 N ATOM 0 H LYS A 32 7.364 1.444 5.371 1.00 0.00 H new ATOM 0 HA LYS A 32 8.356 -0.724 7.118 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.428 1.589 7.503 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.492 0.244 8.624 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.611 0.811 9.414 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.058 1.652 7.943 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.317 3.415 8.519 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.094 2.612 10.060 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.662 4.398 10.422 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.566 2.900 10.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.569 4.751 9.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.467 3.242 8.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.355 4.468 7.994 1.00 0.00 H new ATOM 462 N PRO A 33 6.688 -2.317 6.181 1.00 0.00 N ATOM 463 CA PRO A 33 5.694 -3.323 5.796 1.00 0.00 C ATOM 464 C PRO A 33 4.712 -3.628 6.922 1.00 0.00 C ATOM 465 O PRO A 33 5.047 -4.324 7.881 1.00 0.00 O ATOM 466 CB PRO A 33 6.542 -4.557 5.478 1.00 0.00 C ATOM 467 CG PRO A 33 7.788 -4.375 6.275 1.00 0.00 C ATOM 468 CD PRO A 33 8.036 -2.893 6.324 1.00 0.00 C ATOM 0 HA PRO A 33 5.076 -2.987 4.963 1.00 0.00 H new ATOM 0 HB2 PRO A 33 6.025 -5.475 5.756 1.00 0.00 H new ATOM 0 HB3 PRO A 33 6.760 -4.624 4.412 1.00 0.00 H new ATOM 0 HG2 PRO A 33 7.673 -4.785 7.278 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.626 -4.896 5.813 1.00 0.00 H new ATOM 0 HD2 PRO A 33 8.503 -2.594 7.263 1.00 0.00 H new ATOM 0 HD3 PRO A 33 8.699 -2.570 5.521 1.00 0.00 H new ATOM 476 N VAL A 34 3.497 -3.103 6.800 1.00 0.00 N ATOM 477 CA VAL A 34 2.465 -3.320 7.808 1.00 0.00 C ATOM 478 C VAL A 34 1.485 -4.401 7.366 1.00 0.00 C ATOM 479 O VAL A 34 0.698 -4.201 6.440 1.00 0.00 O ATOM 480 CB VAL A 34 1.686 -2.025 8.101 1.00 0.00 C ATOM 481 CG1 VAL A 34 0.610 -2.274 9.147 1.00 0.00 C ATOM 482 CG2 VAL A 34 2.634 -0.924 8.552 1.00 0.00 C ATOM 0 H VAL A 34 3.203 -2.524 6.013 1.00 0.00 H new ATOM 0 HA VAL A 34 2.973 -3.643 8.717 1.00 0.00 H new ATOM 0 HB VAL A 34 1.198 -1.700 7.182 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.070 -1.347 9.341 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.085 -3.029 8.781 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.073 -2.624 10.069 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.067 -0.016 8.755 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.152 -1.238 9.458 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.364 -0.728 7.767 1.00 0.00 H new ATOM 492 N THR A 35 1.537 -5.549 8.035 1.00 0.00 N ATOM 493 CA THR A 35 0.654 -6.663 7.712 1.00 0.00 C ATOM 494 C THR A 35 -0.702 -6.504 8.390 1.00 0.00 C ATOM 495 O THR A 35 -0.801 -6.547 9.617 1.00 0.00 O ATOM 496 CB THR A 35 1.272 -8.009 8.132 1.00 0.00 C ATOM 497 OG1 THR A 35 2.580 -8.147 7.566 1.00 0.00 O ATOM 498 CG2 THR A 35 0.396 -9.170 7.685 1.00 0.00 C ATOM 0 H THR A 35 2.182 -5.731 8.804 1.00 0.00 H new ATOM 0 HA THR A 35 0.519 -6.656 6.630 1.00 0.00 H new ATOM 0 HB THR A 35 1.344 -8.026 9.219 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.510 -8.553 6.677 1.00 0.00 H new ATOM 0 HG21 THR A 35 0.853 -10.110 7.993 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.590 -9.079 8.142 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.296 -9.154 6.600 1.00 0.00 H new ATOM 506 N ILE A 36 -1.743 -6.322 7.585 1.00 0.00 N ATOM 507 CA ILE A 36 -3.094 -6.159 8.109 1.00 0.00 C ATOM 508 C ILE A 36 -3.747 -7.512 8.373 1.00 0.00 C ATOM 509 O ILE A 36 -3.329 -8.532 7.826 1.00 0.00 O ATOM 510 CB ILE A 36 -3.980 -5.354 7.140 1.00 0.00 C ATOM 511 CG1 ILE A 36 -3.433 -5.451 5.714 1.00 0.00 C ATOM 512 CG2 ILE A 36 -4.065 -3.901 7.583 1.00 0.00 C ATOM 513 CD1 ILE A 36 -4.299 -4.756 4.687 1.00 0.00 C ATOM 0 H ILE A 36 -1.677 -6.284 6.568 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.006 -5.611 9.047 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.985 -5.777 7.153 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.433 -5.018 5.687 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.333 -6.502 5.442 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.695 -3.345 6.888 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.495 -3.850 8.583 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.066 -3.465 7.596 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.851 -4.865 3.699 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.293 -5.204 4.686 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.378 -3.697 4.934 1.00 0.00 H new ATOM 525 N ASP A 37 -4.776 -7.511 9.214 1.00 0.00 N ATOM 526 CA ASP A 37 -5.490 -8.737 9.550 1.00 0.00 C ATOM 527 C ASP A 37 -5.934 -9.470 8.288 1.00 0.00 C ATOM 528 O ASP A 37 -6.278 -10.651 8.331 1.00 0.00 O ATOM 529 CB ASP A 37 -6.704 -8.422 10.425 1.00 0.00 C ATOM 530 CG ASP A 37 -7.226 -9.646 11.152 1.00 0.00 C ATOM 531 OD1 ASP A 37 -6.583 -10.072 12.135 1.00 0.00 O ATOM 532 OD2 ASP A 37 -8.278 -10.176 10.739 1.00 0.00 O ATOM 0 H ASP A 37 -5.134 -6.675 9.675 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.810 -9.384 10.105 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.435 -7.657 11.154 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.497 -8.005 9.804 1.00 0.00 H new ATOM 537 N CYS A 38 -5.925 -8.761 7.164 1.00 0.00 N ATOM 538 CA CYS A 38 -6.328 -9.342 5.889 1.00 0.00 C ATOM 539 C CYS A 38 -5.339 -10.416 5.444 1.00 0.00 C ATOM 540 O CYS A 38 -5.701 -11.351 4.732 1.00 0.00 O ATOM 541 CB CYS A 38 -6.432 -8.254 4.819 1.00 0.00 C ATOM 542 SG CYS A 38 -4.889 -7.974 3.891 1.00 0.00 S ATOM 0 H CYS A 38 -5.643 -7.782 7.110 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.305 -9.806 6.022 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.222 -8.524 4.118 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.733 -7.320 5.294 1.00 0.00 H new ATOM 547 N GLY A 39 -4.087 -10.273 5.870 1.00 0.00 N ATOM 548 CA GLY A 39 -3.065 -11.237 5.506 1.00 0.00 C ATOM 549 C GLY A 39 -1.893 -10.597 4.789 1.00 0.00 C ATOM 550 O GLY A 39 -0.737 -10.838 5.136 1.00 0.00 O ATOM 0 H GLY A 39 -3.763 -9.507 6.460 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.707 -11.739 6.405 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.504 -12.003 4.867 1.00 0.00 H new ATOM 554 N HIS A 40 -2.192 -9.780 3.783 1.00 0.00 N ATOM 555 CA HIS A 40 -1.153 -9.104 3.014 1.00 0.00 C ATOM 556 C HIS A 40 -0.692 -7.834 3.722 1.00 0.00 C ATOM 557 O HIS A 40 -1.204 -7.484 4.785 1.00 0.00 O ATOM 558 CB HIS A 40 -1.665 -8.764 1.614 1.00 0.00 C ATOM 559 CG HIS A 40 -2.479 -9.857 0.993 1.00 0.00 C ATOM 560 ND1 HIS A 40 -3.847 -9.782 0.838 1.00 0.00 N ATOM 561 CD2 HIS A 40 -2.110 -11.055 0.483 1.00 0.00 C ATOM 562 CE1 HIS A 40 -4.285 -10.888 0.263 1.00 0.00 C ATOM 563 NE2 HIS A 40 -3.250 -11.677 0.036 1.00 0.00 N ATOM 0 H HIS A 40 -3.144 -9.571 3.482 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.302 -9.780 2.928 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -2.268 -7.858 1.667 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -0.815 -8.544 0.969 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -1.105 -11.449 0.436 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -5.314 -11.109 0.020 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -3.291 -12.598 -0.400 1.00 0.00 H new ATOM 571 N ASN A 41 0.278 -7.148 3.126 1.00 0.00 N ATOM 572 CA ASN A 41 0.808 -5.917 3.701 1.00 0.00 C ATOM 573 C ASN A 41 0.644 -4.749 2.733 1.00 0.00 C ATOM 574 O ASN A 41 0.239 -4.933 1.585 1.00 0.00 O ATOM 575 CB ASN A 41 2.285 -6.093 4.060 1.00 0.00 C ATOM 576 CG ASN A 41 2.601 -7.496 4.541 1.00 0.00 C ATOM 577 OD1 ASN A 41 1.755 -8.165 5.136 1.00 0.00 O ATOM 578 ND2 ASN A 41 3.823 -7.948 4.286 1.00 0.00 N ATOM 0 H ASN A 41 0.713 -7.424 2.245 1.00 0.00 H new ATOM 0 HA ASN A 41 0.244 -5.696 4.607 1.00 0.00 H new ATOM 0 HB2 ASN A 41 2.898 -5.865 3.188 1.00 0.00 H new ATOM 0 HB3 ASN A 41 2.555 -5.377 4.836 1.00 0.00 H new ATOM 0 HD21 ASN A 41 4.093 -8.885 4.586 1.00 0.00 H new ATOM 0 HD22 ASN A 41 4.492 -7.359 3.790 1.00 0.00 H new ATOM 585 N PHE A 42 0.961 -3.548 3.204 1.00 0.00 N ATOM 586 CA PHE A 42 0.849 -2.350 2.381 1.00 0.00 C ATOM 587 C PHE A 42 1.799 -1.261 2.872 1.00 0.00 C ATOM 588 O PHE A 42 2.361 -1.358 3.963 1.00 0.00 O ATOM 589 CB PHE A 42 -0.590 -1.830 2.393 1.00 0.00 C ATOM 590 CG PHE A 42 -1.562 -2.739 1.696 1.00 0.00 C ATOM 591 CD1 PHE A 42 -2.013 -3.896 2.311 1.00 0.00 C ATOM 592 CD2 PHE A 42 -2.024 -2.437 0.425 1.00 0.00 C ATOM 593 CE1 PHE A 42 -2.906 -4.734 1.671 1.00 0.00 C ATOM 594 CE2 PHE A 42 -2.917 -3.271 -0.220 1.00 0.00 C ATOM 595 CZ PHE A 42 -3.360 -4.421 0.404 1.00 0.00 C ATOM 0 H PHE A 42 1.298 -3.378 4.152 1.00 0.00 H new ATOM 0 HA PHE A 42 1.124 -2.614 1.360 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -0.910 -1.693 3.426 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.617 -0.849 1.918 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -1.663 -4.146 3.302 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.682 -1.539 -0.067 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.249 -5.633 2.161 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.268 -3.024 -1.211 1.00 0.00 H new ATOM 0 HZ PHE A 42 -4.059 -5.074 -0.097 1.00 0.00 H new ATOM 605 N CYS A 43 1.973 -0.225 2.058 1.00 0.00 N ATOM 606 CA CYS A 43 2.855 0.882 2.407 1.00 0.00 C ATOM 607 C CYS A 43 2.119 1.917 3.254 1.00 0.00 C ATOM 608 O CYS A 43 0.956 2.232 2.997 1.00 0.00 O ATOM 609 CB CYS A 43 3.406 1.541 1.141 1.00 0.00 C ATOM 610 SG CYS A 43 2.387 2.915 0.515 1.00 0.00 S ATOM 0 H CYS A 43 1.515 -0.129 1.152 1.00 0.00 H new ATOM 0 HA CYS A 43 3.684 0.483 2.991 1.00 0.00 H new ATOM 0 HB2 CYS A 43 4.411 1.911 1.345 1.00 0.00 H new ATOM 0 HB3 CYS A 43 3.497 0.785 0.361 1.00 0.00 H new ATOM 615 N LEU A 44 2.805 2.442 4.263 1.00 0.00 N ATOM 616 CA LEU A 44 2.217 3.442 5.148 1.00 0.00 C ATOM 617 C LEU A 44 1.559 4.560 4.346 1.00 0.00 C ATOM 618 O LEU A 44 0.430 4.962 4.630 1.00 0.00 O ATOM 619 CB LEU A 44 3.288 4.025 6.073 1.00 0.00 C ATOM 620 CG LEU A 44 2.806 4.490 7.448 1.00 0.00 C ATOM 621 CD1 LEU A 44 3.937 4.418 8.462 1.00 0.00 C ATOM 622 CD2 LEU A 44 2.249 5.904 7.367 1.00 0.00 C ATOM 0 H LEU A 44 3.768 2.192 4.489 1.00 0.00 H new ATOM 0 HA LEU A 44 1.451 2.953 5.750 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.064 3.273 6.217 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.754 4.871 5.568 1.00 0.00 H new ATOM 0 HG LEU A 44 2.008 3.825 7.777 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.576 4.753 9.434 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.291 3.390 8.540 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.757 5.060 8.139 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.911 6.219 8.354 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.027 6.582 7.017 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.410 5.925 6.672 1.00 0.00 H new ATOM 634 N LYS A 45 2.272 5.059 3.341 1.00 0.00 N ATOM 635 CA LYS A 45 1.757 6.128 2.494 1.00 0.00 C ATOM 636 C LYS A 45 0.369 5.782 1.964 1.00 0.00 C ATOM 637 O LYS A 45 -0.429 6.668 1.658 1.00 0.00 O ATOM 638 CB LYS A 45 2.711 6.385 1.326 1.00 0.00 C ATOM 639 CG LYS A 45 3.846 7.335 1.666 1.00 0.00 C ATOM 640 CD LYS A 45 3.349 8.761 1.835 1.00 0.00 C ATOM 641 CE LYS A 45 4.456 9.684 2.320 1.00 0.00 C ATOM 642 NZ LYS A 45 4.265 11.080 1.840 1.00 0.00 N ATOM 0 H LYS A 45 3.209 4.740 3.094 1.00 0.00 H new ATOM 0 HA LYS A 45 1.681 7.032 3.099 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.130 5.435 0.995 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.145 6.793 0.489 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.333 7.007 2.585 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.598 7.302 0.877 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.959 9.127 0.885 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.523 8.777 2.546 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.484 9.675 3.410 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.419 9.309 1.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.040 11.677 2.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.263 11.092 0.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.358 11.447 2.192 1.00 0.00 H new ATOM 656 N CYS A 46 0.086 4.487 1.859 1.00 0.00 N ATOM 657 CA CYS A 46 -1.205 4.023 1.367 1.00 0.00 C ATOM 658 C CYS A 46 -2.159 3.741 2.525 1.00 0.00 C ATOM 659 O CYS A 46 -3.273 4.264 2.566 1.00 0.00 O ATOM 660 CB CYS A 46 -1.028 2.763 0.519 1.00 0.00 C ATOM 661 SG CYS A 46 -0.790 3.089 -1.257 1.00 0.00 S ATOM 0 H CYS A 46 0.735 3.740 2.109 1.00 0.00 H new ATOM 0 HA CYS A 46 -1.635 4.811 0.749 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -0.170 2.204 0.893 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -1.904 2.126 0.646 1.00 0.00 H new ATOM 666 N ILE A 47 -1.713 2.913 3.463 1.00 0.00 N ATOM 667 CA ILE A 47 -2.525 2.563 4.621 1.00 0.00 C ATOM 668 C ILE A 47 -3.074 3.810 5.305 1.00 0.00 C ATOM 669 O ILE A 47 -4.107 3.762 5.974 1.00 0.00 O ATOM 670 CB ILE A 47 -1.721 1.741 5.646 1.00 0.00 C ATOM 671 CG1 ILE A 47 -1.230 0.437 5.014 1.00 0.00 C ATOM 672 CG2 ILE A 47 -2.567 1.454 6.877 1.00 0.00 C ATOM 673 CD1 ILE A 47 -0.221 -0.304 5.863 1.00 0.00 C ATOM 0 H ILE A 47 -0.793 2.472 3.444 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.354 1.958 4.253 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.853 2.323 5.955 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.086 -0.213 4.831 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.784 0.658 4.044 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.984 0.872 7.591 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.871 2.394 7.337 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.453 0.889 6.586 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.083 -1.218 5.353 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.652 0.328 6.025 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.670 -0.557 6.824 1.00 0.00 H new ATOM 685 N THR A 48 -2.377 4.929 5.131 1.00 0.00 N ATOM 686 CA THR A 48 -2.794 6.190 5.731 1.00 0.00 C ATOM 687 C THR A 48 -3.853 6.880 4.879 1.00 0.00 C ATOM 688 O THR A 48 -5.012 6.985 5.279 1.00 0.00 O ATOM 689 CB THR A 48 -1.600 7.145 5.918 1.00 0.00 C ATOM 690 OG1 THR A 48 -0.723 6.640 6.931 1.00 0.00 O ATOM 691 CG2 THR A 48 -2.076 8.538 6.300 1.00 0.00 C ATOM 0 H THR A 48 -1.521 4.987 4.579 1.00 0.00 H new ATOM 0 HA THR A 48 -3.215 5.951 6.708 1.00 0.00 H new ATOM 0 HB THR A 48 -1.062 7.209 4.972 1.00 0.00 H new ATOM 0 HG1 THR A 48 -0.161 7.368 7.269 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.215 9.195 6.427 1.00 0.00 H new ATOM 0 HG22 THR A 48 -2.720 8.931 5.513 1.00 0.00 H new ATOM 0 HG23 THR A 48 -2.635 8.488 7.235 1.00 0.00 H new ATOM 699 N GLN A 49 -3.448 7.348 3.703 1.00 0.00 N ATOM 700 CA GLN A 49 -4.364 8.028 2.795 1.00 0.00 C ATOM 701 C GLN A 49 -5.712 7.316 2.748 1.00 0.00 C ATOM 702 O GLN A 49 -6.762 7.958 2.711 1.00 0.00 O ATOM 703 CB GLN A 49 -3.763 8.101 1.390 1.00 0.00 C ATOM 704 CG GLN A 49 -3.669 6.751 0.698 1.00 0.00 C ATOM 705 CD GLN A 49 -3.072 6.848 -0.692 1.00 0.00 C ATOM 706 OE1 GLN A 49 -3.902 6.648 -1.709 1.00 0.00 O flip ATOM 707 NE2 GLN A 49 -1.877 7.100 -0.851 1.00 0.00 N flip ATOM 0 H GLN A 49 -2.492 7.269 3.357 1.00 0.00 H new ATOM 0 HA GLN A 49 -4.521 9.040 3.168 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.368 8.772 0.780 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.766 8.538 1.452 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.062 6.078 1.304 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.664 6.311 0.632 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.275 7.247 -0.041 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.490 7.162 -1.793 1.00 0.00 H new ATOM 716 N ILE A 50 -5.674 5.988 2.748 1.00 0.00 N ATOM 717 CA ILE A 50 -6.893 5.190 2.706 1.00 0.00 C ATOM 718 C ILE A 50 -7.665 5.296 4.017 1.00 0.00 C ATOM 719 O ILE A 50 -8.896 5.301 4.026 1.00 0.00 O ATOM 720 CB ILE A 50 -6.586 3.708 2.423 1.00 0.00 C ATOM 721 CG1 ILE A 50 -5.853 3.562 1.087 1.00 0.00 C ATOM 722 CG2 ILE A 50 -7.870 2.892 2.420 1.00 0.00 C ATOM 723 CD1 ILE A 50 -5.257 2.189 0.872 1.00 0.00 C ATOM 0 H ILE A 50 -4.813 5.442 2.777 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.503 5.588 1.895 1.00 0.00 H new ATOM 0 HB ILE A 50 -5.939 3.329 3.214 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.547 3.779 0.275 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.059 4.306 1.034 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.636 1.847 2.219 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.356 2.974 3.392 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.539 3.270 1.647 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.753 2.158 -0.094 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.538 1.977 1.663 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -6.050 1.441 0.892 1.00 0.00 H new ATOM 735 N GLY A 51 -6.933 5.382 5.123 1.00 0.00 N ATOM 736 CA GLY A 51 -7.566 5.489 6.425 1.00 0.00 C ATOM 737 C GLY A 51 -8.200 6.847 6.652 1.00 0.00 C ATOM 738 O GLY A 51 -9.265 6.947 7.261 1.00 0.00 O ATOM 0 H GLY A 51 -5.913 5.380 5.141 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.328 4.715 6.520 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.825 5.303 7.202 1.00 0.00 H new ATOM 742 N GLU A 52 -7.544 7.894 6.161 1.00 0.00 N ATOM 743 CA GLU A 52 -8.051 9.253 6.317 1.00 0.00 C ATOM 744 C GLU A 52 -9.574 9.279 6.233 1.00 0.00 C ATOM 745 O GLU A 52 -10.256 9.593 7.209 1.00 0.00 O ATOM 746 CB GLU A 52 -7.454 10.168 5.246 1.00 0.00 C ATOM 747 CG GLU A 52 -5.943 10.298 5.329 1.00 0.00 C ATOM 748 CD GLU A 52 -5.412 11.469 4.523 1.00 0.00 C ATOM 749 OE1 GLU A 52 -6.145 12.470 4.380 1.00 0.00 O ATOM 750 OE2 GLU A 52 -4.266 11.384 4.036 1.00 0.00 O ATOM 0 H GLU A 52 -6.662 7.828 5.653 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.753 9.614 7.301 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -7.724 9.785 4.262 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.901 11.158 5.336 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.649 10.417 6.372 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.483 9.377 4.971 1.00 0.00 H new ATOM 757 N THR A 53 -10.102 8.946 5.059 1.00 0.00 N ATOM 758 CA THR A 53 -11.544 8.932 4.846 1.00 0.00 C ATOM 759 C THR A 53 -12.232 7.969 5.805 1.00 0.00 C ATOM 760 O THR A 53 -11.844 6.806 5.918 1.00 0.00 O ATOM 761 CB THR A 53 -11.894 8.536 3.399 1.00 0.00 C ATOM 762 OG1 THR A 53 -13.314 8.435 3.249 1.00 0.00 O ATOM 763 CG2 THR A 53 -11.244 7.212 3.028 1.00 0.00 C ATOM 0 H THR A 53 -9.552 8.682 4.241 1.00 0.00 H new ATOM 0 HA THR A 53 -11.901 9.944 5.034 1.00 0.00 H new ATOM 0 HB THR A 53 -11.513 9.309 2.732 1.00 0.00 H new ATOM 0 HG1 THR A 53 -13.528 8.185 2.326 1.00 0.00 H new ATOM 0 HG21 THR A 53 -11.505 6.953 2.002 1.00 0.00 H new ATOM 0 HG22 THR A 53 -10.161 7.301 3.115 1.00 0.00 H new ATOM 0 HG23 THR A 53 -11.599 6.431 3.701 1.00 0.00 H new ATOM 771 N SER A 54 -13.257 8.459 6.495 1.00 0.00 N ATOM 772 CA SER A 54 -13.999 7.642 7.448 1.00 0.00 C ATOM 773 C SER A 54 -15.057 6.803 6.737 1.00 0.00 C ATOM 774 O SER A 54 -15.986 6.295 7.364 1.00 0.00 O ATOM 775 CB SER A 54 -14.660 8.527 8.506 1.00 0.00 C ATOM 776 OG SER A 54 -15.499 9.499 7.906 1.00 0.00 O ATOM 0 H SER A 54 -13.593 9.419 6.412 1.00 0.00 H new ATOM 0 HA SER A 54 -13.295 6.969 7.937 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.244 7.909 9.188 1.00 0.00 H new ATOM 0 HB3 SER A 54 -13.893 9.022 9.102 1.00 0.00 H new ATOM 0 HG SER A 54 -15.911 10.051 8.603 1.00 0.00 H new ATOM 782 N CYS A 55 -14.908 6.664 5.424 1.00 0.00 N ATOM 783 CA CYS A 55 -15.851 5.889 4.626 1.00 0.00 C ATOM 784 C CYS A 55 -16.367 4.687 5.410 1.00 0.00 C ATOM 785 O CYS A 55 -17.533 4.311 5.294 1.00 0.00 O ATOM 786 CB CYS A 55 -15.189 5.421 3.329 1.00 0.00 C ATOM 787 SG CYS A 55 -14.034 4.047 3.544 1.00 0.00 S ATOM 0 H CYS A 55 -14.144 7.078 4.890 1.00 0.00 H new ATOM 0 HA CYS A 55 -16.697 6.531 4.382 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -15.965 5.122 2.625 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -14.658 6.261 2.881 1.00 0.00 H new ATOM 0 HG CYS A 55 -13.528 3.721 2.392 1.00 0.00 H new ATOM 793 N GLY A 56 -15.490 4.086 6.208 1.00 0.00 N ATOM 794 CA GLY A 56 -15.875 2.931 6.998 1.00 0.00 C ATOM 795 C GLY A 56 -14.679 2.134 7.481 1.00 0.00 C ATOM 796 O GLY A 56 -14.065 2.474 8.493 1.00 0.00 O ATOM 0 H GLY A 56 -14.519 4.378 6.322 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -16.459 3.261 7.857 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -16.521 2.286 6.402 1.00 0.00 H new ATOM 800 N PHE A 57 -14.348 1.070 6.758 1.00 0.00 N ATOM 801 CA PHE A 57 -13.220 0.220 7.120 1.00 0.00 C ATOM 802 C PHE A 57 -12.216 0.132 5.974 1.00 0.00 C ATOM 803 O PHE A 57 -12.522 0.488 4.836 1.00 0.00 O ATOM 804 CB PHE A 57 -13.708 -1.181 7.494 1.00 0.00 C ATOM 805 CG PHE A 57 -14.783 -1.704 6.584 1.00 0.00 C ATOM 806 CD1 PHE A 57 -16.110 -1.363 6.791 1.00 0.00 C ATOM 807 CD2 PHE A 57 -14.466 -2.536 5.523 1.00 0.00 C ATOM 808 CE1 PHE A 57 -17.101 -1.843 5.955 1.00 0.00 C ATOM 809 CE2 PHE A 57 -15.452 -3.018 4.684 1.00 0.00 C ATOM 810 CZ PHE A 57 -16.772 -2.672 4.901 1.00 0.00 C ATOM 0 H PHE A 57 -14.845 0.775 5.917 1.00 0.00 H new ATOM 0 HA PHE A 57 -12.724 0.666 7.982 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -12.862 -1.868 7.477 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -14.085 -1.165 8.517 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -16.373 -0.715 7.614 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -13.436 -2.811 5.350 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -18.132 -1.570 6.126 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -15.191 -3.665 3.859 1.00 0.00 H new ATOM 0 HZ PHE A 57 -17.545 -3.049 4.248 1.00 0.00 H new ATOM 820 N PHE A 58 -11.014 -0.344 6.284 1.00 0.00 N ATOM 821 CA PHE A 58 -9.963 -0.477 5.282 1.00 0.00 C ATOM 822 C PHE A 58 -10.189 -1.715 4.419 1.00 0.00 C ATOM 823 O PHE A 58 -10.232 -2.838 4.922 1.00 0.00 O ATOM 824 CB PHE A 58 -8.592 -0.556 5.957 1.00 0.00 C ATOM 825 CG PHE A 58 -7.481 -0.924 5.016 1.00 0.00 C ATOM 826 CD1 PHE A 58 -7.338 -2.227 4.567 1.00 0.00 C ATOM 827 CD2 PHE A 58 -6.579 0.034 4.580 1.00 0.00 C ATOM 828 CE1 PHE A 58 -6.317 -2.569 3.701 1.00 0.00 C ATOM 829 CE2 PHE A 58 -5.556 -0.302 3.713 1.00 0.00 C ATOM 830 CZ PHE A 58 -5.424 -1.605 3.274 1.00 0.00 C ATOM 0 H PHE A 58 -10.744 -0.644 7.221 1.00 0.00 H new ATOM 0 HA PHE A 58 -9.994 0.403 4.640 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -8.365 0.407 6.415 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -8.634 -1.290 6.762 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -8.033 -2.985 4.898 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -6.676 1.054 4.921 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -6.217 -3.588 3.358 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -4.860 0.454 3.379 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.624 -1.870 2.598 1.00 0.00 H new ATOM 840 N LYS A 59 -10.334 -1.502 3.115 1.00 0.00 N ATOM 841 CA LYS A 59 -10.555 -2.599 2.180 1.00 0.00 C ATOM 842 C LYS A 59 -9.244 -3.034 1.533 1.00 0.00 C ATOM 843 O LYS A 59 -8.302 -2.249 1.426 1.00 0.00 O ATOM 844 CB LYS A 59 -11.555 -2.181 1.100 1.00 0.00 C ATOM 845 CG LYS A 59 -13.006 -2.375 1.506 1.00 0.00 C ATOM 846 CD LYS A 59 -13.926 -1.422 0.763 1.00 0.00 C ATOM 847 CE LYS A 59 -15.282 -1.312 1.443 1.00 0.00 C ATOM 848 NZ LYS A 59 -16.123 -2.517 1.202 1.00 0.00 N ATOM 0 H LYS A 59 -10.302 -0.579 2.682 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.962 -3.443 2.737 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.393 -1.132 0.853 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.360 -2.755 0.194 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -13.307 -3.403 1.304 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -13.108 -2.218 2.580 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -13.464 -0.436 0.709 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -14.059 -1.768 -0.262 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -15.141 -1.176 2.515 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -15.802 -0.427 1.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -17.075 -2.222 0.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -15.692 -3.097 0.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -16.190 -3.074 2.077 1.00 0.00 H new ATOM 862 N CYS A 60 -9.191 -4.290 1.101 1.00 0.00 N ATOM 863 CA CYS A 60 -7.997 -4.830 0.463 1.00 0.00 C ATOM 864 C CYS A 60 -8.310 -5.327 -0.945 1.00 0.00 C ATOM 865 O CYS A 60 -9.255 -6.085 -1.167 1.00 0.00 O ATOM 866 CB CYS A 60 -7.418 -5.971 1.302 1.00 0.00 C ATOM 867 SG CYS A 60 -5.932 -6.742 0.583 1.00 0.00 S ATOM 0 H CYS A 60 -9.962 -4.953 1.182 1.00 0.00 H new ATOM 0 HA CYS A 60 -7.260 -4.030 0.391 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.173 -5.591 2.294 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -8.184 -6.736 1.434 1.00 0.00 H new ATOM 872 N PRO A 61 -7.498 -4.893 -1.920 1.00 0.00 N ATOM 873 CA PRO A 61 -7.668 -5.281 -3.323 1.00 0.00 C ATOM 874 C PRO A 61 -7.331 -6.749 -3.563 1.00 0.00 C ATOM 875 O PRO A 61 -8.005 -7.433 -4.334 1.00 0.00 O ATOM 876 CB PRO A 61 -6.678 -4.377 -4.063 1.00 0.00 C ATOM 877 CG PRO A 61 -5.638 -4.044 -3.050 1.00 0.00 C ATOM 878 CD PRO A 61 -6.352 -3.989 -1.727 1.00 0.00 C ATOM 0 HA PRO A 61 -8.700 -5.168 -3.655 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.244 -4.886 -4.923 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.167 -3.478 -4.438 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -4.850 -4.797 -3.037 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -5.163 -3.090 -3.277 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -5.711 -4.321 -0.910 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.675 -2.976 -1.487 1.00 0.00 H new ATOM 886 N LEU A 62 -6.285 -7.227 -2.899 1.00 0.00 N ATOM 887 CA LEU A 62 -5.859 -8.615 -3.039 1.00 0.00 C ATOM 888 C LEU A 62 -6.911 -9.567 -2.480 1.00 0.00 C ATOM 889 O LEU A 62 -7.246 -10.575 -3.104 1.00 0.00 O ATOM 890 CB LEU A 62 -4.525 -8.835 -2.324 1.00 0.00 C ATOM 891 CG LEU A 62 -3.405 -7.854 -2.676 1.00 0.00 C ATOM 892 CD1 LEU A 62 -2.164 -8.141 -1.845 1.00 0.00 C ATOM 893 CD2 LEU A 62 -3.082 -7.924 -4.161 1.00 0.00 C ATOM 0 H LEU A 62 -5.716 -6.674 -2.258 1.00 0.00 H new ATOM 0 HA LEU A 62 -5.734 -8.825 -4.101 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.699 -8.786 -1.249 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.179 -9.845 -2.545 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.746 -6.845 -2.446 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.378 -7.434 -2.109 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.403 -8.039 -0.786 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.820 -9.156 -2.043 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.283 -7.220 -4.393 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.761 -8.934 -4.416 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.970 -7.669 -4.739 1.00 0.00 H new ATOM 905 N CYS A 63 -7.431 -9.240 -1.302 1.00 0.00 N ATOM 906 CA CYS A 63 -8.447 -10.064 -0.659 1.00 0.00 C ATOM 907 C CYS A 63 -9.771 -9.984 -1.414 1.00 0.00 C ATOM 908 O CYS A 63 -10.704 -10.735 -1.132 1.00 0.00 O ATOM 909 CB CYS A 63 -8.647 -9.624 0.792 1.00 0.00 C ATOM 910 SG CYS A 63 -7.259 -10.041 1.895 1.00 0.00 S ATOM 0 H CYS A 63 -7.165 -8.409 -0.773 1.00 0.00 H new ATOM 0 HA CYS A 63 -8.103 -11.098 -0.674 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -8.804 -8.546 0.815 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -9.555 -10.086 1.178 1.00 0.00 H new TER 915 CYS A 63 HETATM 916 ZN ZN A 201 1.220 2.092 -1.350 1.00 0.00 ZN HETATM 917 ZN ZN A 401 -5.370 -8.724 1.714 1.00 0.00 ZN