USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 607 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 63 ASN : amide:sc= -0.598 K(o=-0.6,f=-4!) USER MOD Set 1.2: A 65 ASN : amide:sc= 0 X(o=-0.6,f=-0.31) USER MOD Single : A 1 ALA N :NH3+ -111:sc= 0.0956 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0285 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0249 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -82:sc= 0.805 USER MOD Single : A 25 SER OG : rot 180:sc= 0.057 USER MOD Single : A 27 GLN : amide:sc= -0.0203 X(o=-0.02,f=-0.21) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.62 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.00732 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 50 ASN : amide:sc= -1.28 X(o=-1.3,f=-1.7) USER MOD Single : A 53 LYS NZ :NH3+ 173:sc= 0.146 (180deg=0.131) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -68:sc= 0.895 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.0395 K(o=-0.04,f=-1.6!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.171 X(o=-0.17,f=-0.1) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0.12 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 63:sc= 0.254 USER MOD Single : A 86 THR OG1 : rot -159:sc= 1.14 USER MOD Single : A 87 ASN : amide:sc=-0.000377 K(o=-0.00038,f=-0.93) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.483 0.756 -0.131 1.00 0.00 N ATOM 2 CA ALA A 1 1.851 0.483 -0.552 1.00 0.00 C ATOM 3 C ALA A 1 2.612 1.777 -0.821 1.00 0.00 C ATOM 4 O ALA A 1 2.010 2.840 -0.977 1.00 0.00 O ATOM 5 CB ALA A 1 1.857 -0.402 -1.790 1.00 0.00 C ATOM 0 H1 ALA A 1 0.370 0.497 0.870 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.278 1.768 -0.252 1.00 0.00 H new ATOM 0 H3 ALA A 1 -0.176 0.198 -0.710 1.00 0.00 H new ATOM 0 HA ALA A 1 2.355 -0.043 0.259 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.886 -0.597 -2.093 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.360 -1.345 -1.565 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.330 0.102 -2.600 1.00 0.00 H new ATOM 11 N ILE A 2 3.936 1.680 -0.874 1.00 0.00 N ATOM 12 CA ILE A 2 4.777 2.843 -1.124 1.00 0.00 C ATOM 13 C ILE A 2 4.732 3.248 -2.594 1.00 0.00 C ATOM 14 O ILE A 2 5.107 2.473 -3.474 1.00 0.00 O ATOM 15 CB ILE A 2 6.240 2.578 -0.721 1.00 0.00 C ATOM 16 CG1 ILE A 2 6.332 2.275 0.776 1.00 0.00 C ATOM 17 CG2 ILE A 2 7.113 3.771 -1.081 1.00 0.00 C ATOM 18 CD1 ILE A 2 6.096 0.820 1.113 1.00 0.00 C ATOM 0 H ILE A 2 4.449 0.808 -0.747 1.00 0.00 H new ATOM 0 HA ILE A 2 4.382 3.655 -0.513 1.00 0.00 H new ATOM 0 HB ILE A 2 6.602 1.709 -1.271 1.00 0.00 H new ATOM 0 HG12 ILE A 2 7.317 2.568 1.138 1.00 0.00 H new ATOM 0 HG13 ILE A 2 5.602 2.886 1.308 1.00 0.00 H new ATOM 0 HG21 ILE A 2 8.144 3.569 -0.790 1.00 0.00 H new ATOM 0 HG22 ILE A 2 7.067 3.944 -2.156 1.00 0.00 H new ATOM 0 HG23 ILE A 2 6.755 4.656 -0.555 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.176 0.678 2.191 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.100 0.527 0.782 1.00 0.00 H new ATOM 0 HD13 ILE A 2 6.841 0.204 0.610 1.00 0.00 H new ATOM 30 N SER A 3 4.272 4.468 -2.852 1.00 0.00 N ATOM 31 CA SER A 3 4.176 4.976 -4.216 1.00 0.00 C ATOM 32 C SER A 3 5.411 5.794 -4.579 1.00 0.00 C ATOM 33 O SER A 3 6.277 5.337 -5.326 1.00 0.00 O ATOM 34 CB SER A 3 2.918 5.831 -4.377 1.00 0.00 C ATOM 35 OG SER A 3 2.963 6.584 -5.576 1.00 0.00 O ATOM 0 H SER A 3 3.960 5.123 -2.135 1.00 0.00 H new ATOM 0 HA SER A 3 4.115 4.123 -4.892 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.037 5.190 -4.380 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.820 6.504 -3.525 1.00 0.00 H new ATOM 0 HG SER A 3 2.147 7.121 -5.656 1.00 0.00 H new ATOM 41 N CYS A 4 5.486 7.009 -4.045 1.00 0.00 N ATOM 42 CA CYS A 4 6.614 7.894 -4.312 1.00 0.00 C ATOM 43 C CYS A 4 6.503 9.177 -3.494 1.00 0.00 C ATOM 44 O CYS A 4 7.497 9.683 -2.975 1.00 0.00 O ATOM 45 CB CYS A 4 6.684 8.230 -5.803 1.00 0.00 C ATOM 46 SG CYS A 4 8.374 8.251 -6.481 1.00 0.00 S ATOM 0 H CYS A 4 4.779 7.403 -3.425 1.00 0.00 H new ATOM 0 HA CYS A 4 7.528 7.376 -4.021 1.00 0.00 H new ATOM 0 HB2 CYS A 4 6.091 7.502 -6.357 1.00 0.00 H new ATOM 0 HB3 CYS A 4 6.226 9.205 -5.967 1.00 0.00 H new ATOM 51 N GLY A 5 5.285 9.700 -3.384 1.00 0.00 N ATOM 52 CA GLY A 5 5.066 10.919 -2.629 1.00 0.00 C ATOM 53 C GLY A 5 5.552 10.810 -1.197 1.00 0.00 C ATOM 54 O GLY A 5 6.035 11.785 -0.622 1.00 0.00 O ATOM 0 H GLY A 5 4.446 9.300 -3.805 1.00 0.00 H new ATOM 0 HA2 GLY A 5 5.579 11.745 -3.122 1.00 0.00 H new ATOM 0 HA3 GLY A 5 4.002 11.158 -2.631 1.00 0.00 H new ATOM 58 N ALA A 6 5.424 9.620 -0.620 1.00 0.00 N ATOM 59 CA ALA A 6 5.855 9.386 0.753 1.00 0.00 C ATOM 60 C ALA A 6 7.376 9.316 0.847 1.00 0.00 C ATOM 61 O ALA A 6 7.963 9.685 1.864 1.00 0.00 O ATOM 62 CB ALA A 6 5.231 8.107 1.292 1.00 0.00 C ATOM 0 H ALA A 6 5.025 8.803 -1.082 1.00 0.00 H new ATOM 0 HA ALA A 6 5.518 10.225 1.361 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.562 7.945 2.318 1.00 0.00 H new ATOM 0 HB2 ALA A 6 4.145 8.195 1.271 1.00 0.00 H new ATOM 0 HB3 ALA A 6 5.539 7.263 0.674 1.00 0.00 H new ATOM 68 N VAL A 7 8.008 8.839 -0.220 1.00 0.00 N ATOM 69 CA VAL A 7 9.461 8.720 -0.258 1.00 0.00 C ATOM 70 C VAL A 7 10.119 10.083 -0.440 1.00 0.00 C ATOM 71 O VAL A 7 11.086 10.415 0.246 1.00 0.00 O ATOM 72 CB VAL A 7 9.918 7.786 -1.394 1.00 0.00 C ATOM 73 CG1 VAL A 7 11.415 7.531 -1.306 1.00 0.00 C ATOM 74 CG2 VAL A 7 9.144 6.477 -1.351 1.00 0.00 C ATOM 0 H VAL A 7 7.537 8.529 -1.070 1.00 0.00 H new ATOM 0 HA VAL A 7 9.769 8.295 0.697 1.00 0.00 H new ATOM 0 HB VAL A 7 9.711 8.274 -2.347 1.00 0.00 H new ATOM 0 HG11 VAL A 7 11.720 6.869 -2.117 1.00 0.00 H new ATOM 0 HG12 VAL A 7 11.951 8.477 -1.389 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.649 7.064 -0.349 1.00 0.00 H new ATOM 0 HG21 VAL A 7 9.480 5.829 -2.161 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.318 5.983 -0.395 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.079 6.680 -1.466 1.00 0.00 H new ATOM 84 N THR A 8 9.588 10.871 -1.370 1.00 0.00 N ATOM 85 CA THR A 8 10.123 12.199 -1.643 1.00 0.00 C ATOM 86 C THR A 8 9.905 13.135 -0.460 1.00 0.00 C ATOM 87 O THR A 8 10.624 14.120 -0.294 1.00 0.00 O ATOM 88 CB THR A 8 9.479 12.817 -2.898 1.00 0.00 C ATOM 89 OG1 THR A 8 9.164 11.789 -3.844 1.00 0.00 O ATOM 90 CG2 THR A 8 10.410 13.835 -3.539 1.00 0.00 C ATOM 0 H THR A 8 8.788 10.612 -1.947 1.00 0.00 H new ATOM 0 HA THR A 8 11.193 12.079 -1.814 1.00 0.00 H new ATOM 0 HB THR A 8 8.563 13.325 -2.596 1.00 0.00 H new ATOM 0 HG1 THR A 8 8.753 12.190 -4.638 1.00 0.00 H new ATOM 0 HG21 THR A 8 9.933 14.258 -4.423 1.00 0.00 H new ATOM 0 HG22 THR A 8 10.624 14.632 -2.826 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.341 13.346 -3.827 1.00 0.00 H new ATOM 98 N SER A 9 8.907 12.820 0.360 1.00 0.00 N ATOM 99 CA SER A 9 8.592 13.636 1.528 1.00 0.00 C ATOM 100 C SER A 9 9.743 13.619 2.529 1.00 0.00 C ATOM 101 O SER A 9 10.210 14.668 2.973 1.00 0.00 O ATOM 102 CB SER A 9 7.311 13.132 2.196 1.00 0.00 C ATOM 103 OG SER A 9 6.615 14.193 2.828 1.00 0.00 O ATOM 0 H SER A 9 8.303 12.007 0.238 1.00 0.00 H new ATOM 0 HA SER A 9 8.440 14.663 1.194 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.668 12.664 1.451 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.557 12.366 2.931 1.00 0.00 H new ATOM 0 HG SER A 9 5.799 13.846 3.246 1.00 0.00 H new ATOM 109 N ASP A 10 10.195 12.420 2.881 1.00 0.00 N ATOM 110 CA ASP A 10 11.291 12.265 3.829 1.00 0.00 C ATOM 111 C ASP A 10 12.628 12.600 3.174 1.00 0.00 C ATOM 112 O ASP A 10 13.608 12.900 3.857 1.00 0.00 O ATOM 113 CB ASP A 10 11.322 10.837 4.377 1.00 0.00 C ATOM 114 CG ASP A 10 9.933 10.259 4.565 1.00 0.00 C ATOM 115 OD1 ASP A 10 9.096 10.925 5.209 1.00 0.00 O ATOM 116 OD2 ASP A 10 9.683 9.140 4.069 1.00 0.00 O ATOM 0 H ASP A 10 9.819 11.542 2.524 1.00 0.00 H new ATOM 0 HA ASP A 10 11.126 12.959 4.653 1.00 0.00 H new ATOM 0 HB2 ASP A 10 11.888 10.202 3.696 1.00 0.00 H new ATOM 0 HB3 ASP A 10 11.848 10.829 5.332 1.00 0.00 H new ATOM 121 N LEU A 11 12.660 12.546 1.847 1.00 0.00 N ATOM 122 CA LEU A 11 13.877 12.843 1.099 1.00 0.00 C ATOM 123 C LEU A 11 14.214 14.329 1.174 1.00 0.00 C ATOM 124 O LEU A 11 15.384 14.709 1.214 1.00 0.00 O ATOM 125 CB LEU A 11 13.717 12.418 -0.362 1.00 0.00 C ATOM 126 CG LEU A 11 13.939 10.934 -0.657 1.00 0.00 C ATOM 127 CD1 LEU A 11 13.259 10.541 -1.959 1.00 0.00 C ATOM 128 CD2 LEU A 11 15.427 10.618 -0.714 1.00 0.00 C ATOM 0 H LEU A 11 11.858 12.300 1.267 1.00 0.00 H new ATOM 0 HA LEU A 11 14.696 12.281 1.548 1.00 0.00 H new ATOM 0 HB2 LEU A 11 12.713 12.687 -0.690 1.00 0.00 H new ATOM 0 HB3 LEU A 11 14.415 12.997 -0.967 1.00 0.00 H new ATOM 0 HG LEU A 11 13.495 10.353 0.151 1.00 0.00 H new ATOM 0 HD11 LEU A 11 13.428 9.482 -2.152 1.00 0.00 H new ATOM 0 HD12 LEU A 11 12.188 10.730 -1.882 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.673 11.130 -2.778 1.00 0.00 H new ATOM 0 HD21 LEU A 11 15.566 9.558 -0.925 1.00 0.00 H new ATOM 0 HD22 LEU A 11 15.895 11.209 -1.502 1.00 0.00 H new ATOM 0 HD23 LEU A 11 15.887 10.861 0.244 1.00 0.00 H new ATOM 140 N SER A 12 13.180 15.164 1.196 1.00 0.00 N ATOM 141 CA SER A 12 13.366 16.609 1.265 1.00 0.00 C ATOM 142 C SER A 12 14.244 16.987 2.454 1.00 0.00 C ATOM 143 O SER A 12 15.292 17.616 2.309 1.00 0.00 O ATOM 144 CB SER A 12 12.012 17.314 1.371 1.00 0.00 C ATOM 145 OG SER A 12 11.499 17.628 0.088 1.00 0.00 O ATOM 0 H SER A 12 12.205 14.865 1.167 1.00 0.00 H new ATOM 0 HA SER A 12 13.864 16.931 0.351 1.00 0.00 H new ATOM 0 HB2 SER A 12 11.306 16.675 1.902 1.00 0.00 H new ATOM 0 HB3 SER A 12 12.119 18.227 1.957 1.00 0.00 H new ATOM 0 HG SER A 12 10.633 18.076 0.183 1.00 0.00 H new ATOM 151 N PRO A 13 13.807 16.595 3.659 1.00 0.00 N ATOM 152 CA PRO A 13 14.537 16.881 4.898 1.00 0.00 C ATOM 153 C PRO A 13 15.835 16.087 5.002 1.00 0.00 C ATOM 154 O PRO A 13 16.763 16.486 5.706 1.00 0.00 O ATOM 155 CB PRO A 13 13.559 16.451 5.994 1.00 0.00 C ATOM 156 CG PRO A 13 12.691 15.428 5.347 1.00 0.00 C ATOM 157 CD PRO A 13 12.566 15.841 3.907 1.00 0.00 C ATOM 0 HA PRO A 13 14.837 17.927 4.962 1.00 0.00 H new ATOM 0 HB2 PRO A 13 14.085 16.037 6.854 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.973 17.296 6.355 1.00 0.00 H new ATOM 0 HG2 PRO A 13 13.130 14.434 5.431 1.00 0.00 H new ATOM 0 HG3 PRO A 13 11.713 15.386 5.827 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.482 14.977 3.247 1.00 0.00 H new ATOM 0 HD3 PRO A 13 11.682 16.456 3.741 1.00 0.00 H new ATOM 165 N CYS A 14 15.894 14.963 4.296 1.00 0.00 N ATOM 166 CA CYS A 14 17.079 14.113 4.308 1.00 0.00 C ATOM 167 C CYS A 14 18.121 14.618 3.315 1.00 0.00 C ATOM 168 O CYS A 14 19.289 14.231 3.372 1.00 0.00 O ATOM 169 CB CYS A 14 16.699 12.669 3.976 1.00 0.00 C ATOM 170 SG CYS A 14 15.960 11.755 5.368 1.00 0.00 S ATOM 0 H CYS A 14 15.135 14.619 3.708 1.00 0.00 H new ATOM 0 HA CYS A 14 17.510 14.147 5.308 1.00 0.00 H new ATOM 0 HB2 CYS A 14 15.996 12.672 3.143 1.00 0.00 H new ATOM 0 HB3 CYS A 14 17.590 12.139 3.639 1.00 0.00 H new ATOM 175 N LEU A 15 17.691 15.485 2.404 1.00 0.00 N ATOM 176 CA LEU A 15 18.587 16.044 1.398 1.00 0.00 C ATOM 177 C LEU A 15 19.660 16.913 2.046 1.00 0.00 C ATOM 178 O LEU A 15 20.843 16.802 1.724 1.00 0.00 O ATOM 179 CB LEU A 15 17.793 16.867 0.382 1.00 0.00 C ATOM 180 CG LEU A 15 17.294 16.112 -0.851 1.00 0.00 C ATOM 181 CD1 LEU A 15 16.542 17.049 -1.783 1.00 0.00 C ATOM 182 CD2 LEU A 15 18.456 15.452 -1.578 1.00 0.00 C ATOM 0 H LEU A 15 16.728 15.816 2.342 1.00 0.00 H new ATOM 0 HA LEU A 15 19.078 15.217 0.884 1.00 0.00 H new ATOM 0 HB2 LEU A 15 16.932 17.302 0.890 1.00 0.00 H new ATOM 0 HB3 LEU A 15 18.418 17.695 0.048 1.00 0.00 H new ATOM 0 HG LEU A 15 16.607 15.332 -0.523 1.00 0.00 H new ATOM 0 HD11 LEU A 15 16.195 16.494 -2.654 1.00 0.00 H new ATOM 0 HD12 LEU A 15 15.686 17.474 -1.259 1.00 0.00 H new ATOM 0 HD13 LEU A 15 17.205 17.852 -2.105 1.00 0.00 H new ATOM 0 HD21 LEU A 15 18.083 14.919 -2.453 1.00 0.00 H new ATOM 0 HD22 LEU A 15 19.168 16.215 -1.894 1.00 0.00 H new ATOM 0 HD23 LEU A 15 18.951 14.748 -0.909 1.00 0.00 H new ATOM 194 N THR A 16 19.239 17.779 2.963 1.00 0.00 N ATOM 195 CA THR A 16 20.163 18.666 3.658 1.00 0.00 C ATOM 196 C THR A 16 21.340 17.889 4.238 1.00 0.00 C ATOM 197 O THR A 16 22.487 18.328 4.155 1.00 0.00 O ATOM 198 CB THR A 16 19.460 19.433 4.793 1.00 0.00 C ATOM 199 OG1 THR A 16 18.171 19.879 4.357 1.00 0.00 O ATOM 200 CG2 THR A 16 20.292 20.627 5.236 1.00 0.00 C ATOM 0 H THR A 16 18.263 17.885 3.241 1.00 0.00 H new ATOM 0 HA THR A 16 20.530 19.380 2.921 1.00 0.00 H new ATOM 0 HB THR A 16 19.343 18.757 5.640 1.00 0.00 H new ATOM 0 HG1 THR A 16 17.729 20.364 5.085 1.00 0.00 H new ATOM 0 HG21 THR A 16 19.775 21.153 6.038 1.00 0.00 H new ATOM 0 HG22 THR A 16 21.262 20.282 5.594 1.00 0.00 H new ATOM 0 HG23 THR A 16 20.436 21.303 4.393 1.00 0.00 H new ATOM 208 N TYR A 17 21.048 16.734 4.825 1.00 0.00 N ATOM 209 CA TYR A 17 22.082 15.896 5.421 1.00 0.00 C ATOM 210 C TYR A 17 22.779 15.052 4.358 1.00 0.00 C ATOM 211 O TYR A 17 23.992 14.846 4.409 1.00 0.00 O ATOM 212 CB TYR A 17 21.478 14.989 6.494 1.00 0.00 C ATOM 213 CG TYR A 17 22.501 14.143 7.218 1.00 0.00 C ATOM 214 CD1 TYR A 17 23.503 14.731 7.979 1.00 0.00 C ATOM 215 CD2 TYR A 17 22.464 12.756 7.141 1.00 0.00 C ATOM 216 CE1 TYR A 17 24.440 13.962 8.642 1.00 0.00 C ATOM 217 CE2 TYR A 17 23.396 11.979 7.801 1.00 0.00 C ATOM 218 CZ TYR A 17 24.383 12.587 8.550 1.00 0.00 C ATOM 219 OH TYR A 17 25.313 11.817 9.210 1.00 0.00 O ATOM 0 H TYR A 17 20.104 16.356 4.901 1.00 0.00 H new ATOM 0 HA TYR A 17 22.822 16.550 5.883 1.00 0.00 H new ATOM 0 HB2 TYR A 17 20.947 15.604 7.221 1.00 0.00 H new ATOM 0 HB3 TYR A 17 20.740 14.334 6.031 1.00 0.00 H new ATOM 0 HD1 TYR A 17 23.551 15.807 8.054 1.00 0.00 H new ATOM 0 HD2 TYR A 17 21.693 12.277 6.555 1.00 0.00 H new ATOM 0 HE1 TYR A 17 25.213 14.435 9.229 1.00 0.00 H new ATOM 0 HE2 TYR A 17 23.353 10.902 7.731 1.00 0.00 H new ATOM 0 HH TYR A 17 25.131 10.869 9.042 1.00 0.00 H new ATOM 229 N LEU A 18 22.003 14.567 3.395 1.00 0.00 N ATOM 230 CA LEU A 18 22.544 13.745 2.318 1.00 0.00 C ATOM 231 C LEU A 18 23.468 14.562 1.421 1.00 0.00 C ATOM 232 O LEU A 18 24.208 14.010 0.606 1.00 0.00 O ATOM 233 CB LEU A 18 21.407 13.146 1.488 1.00 0.00 C ATOM 234 CG LEU A 18 20.849 11.810 1.979 1.00 0.00 C ATOM 235 CD1 LEU A 18 19.697 11.356 1.097 1.00 0.00 C ATOM 236 CD2 LEU A 18 21.945 10.754 2.012 1.00 0.00 C ATOM 0 H LEU A 18 20.998 14.729 3.338 1.00 0.00 H new ATOM 0 HA LEU A 18 23.124 12.938 2.766 1.00 0.00 H new ATOM 0 HB2 LEU A 18 20.590 13.867 1.453 1.00 0.00 H new ATOM 0 HB3 LEU A 18 21.760 13.015 0.465 1.00 0.00 H new ATOM 0 HG LEU A 18 20.472 11.946 2.993 1.00 0.00 H new ATOM 0 HD11 LEU A 18 19.313 10.403 1.462 1.00 0.00 H new ATOM 0 HD12 LEU A 18 18.903 12.102 1.124 1.00 0.00 H new ATOM 0 HD13 LEU A 18 20.049 11.237 0.072 1.00 0.00 H new ATOM 0 HD21 LEU A 18 21.530 9.810 2.364 1.00 0.00 H new ATOM 0 HD22 LEU A 18 22.352 10.620 1.010 1.00 0.00 H new ATOM 0 HD23 LEU A 18 22.739 11.075 2.686 1.00 0.00 H new ATOM 248 N THR A 19 23.423 15.882 1.578 1.00 0.00 N ATOM 249 CA THR A 19 24.256 16.775 0.784 1.00 0.00 C ATOM 250 C THR A 19 25.549 17.116 1.516 1.00 0.00 C ATOM 251 O THR A 19 26.476 17.675 0.931 1.00 0.00 O ATOM 252 CB THR A 19 23.514 18.081 0.443 1.00 0.00 C ATOM 253 OG1 THR A 19 22.773 18.535 1.581 1.00 0.00 O ATOM 254 CG2 THR A 19 22.571 17.876 -0.733 1.00 0.00 C ATOM 0 H THR A 19 22.818 16.355 2.249 1.00 0.00 H new ATOM 0 HA THR A 19 24.492 16.248 -0.140 1.00 0.00 H new ATOM 0 HB THR A 19 24.254 18.832 0.169 1.00 0.00 H new ATOM 0 HG1 THR A 19 21.918 18.057 1.627 1.00 0.00 H new ATOM 0 HG21 THR A 19 22.058 18.812 -0.956 1.00 0.00 H new ATOM 0 HG22 THR A 19 23.142 17.558 -1.606 1.00 0.00 H new ATOM 0 HG23 THR A 19 21.837 17.111 -0.481 1.00 0.00 H new ATOM 262 N GLY A 20 25.605 16.774 2.800 1.00 0.00 N ATOM 263 CA GLY A 20 26.791 17.051 3.590 1.00 0.00 C ATOM 264 C GLY A 20 26.538 18.081 4.673 1.00 0.00 C ATOM 265 O GLY A 20 27.432 18.405 5.453 1.00 0.00 O ATOM 0 H GLY A 20 24.851 16.310 3.307 1.00 0.00 H new ATOM 0 HA2 GLY A 20 27.143 16.126 4.047 1.00 0.00 H new ATOM 0 HA3 GLY A 20 27.586 17.406 2.934 1.00 0.00 H new ATOM 269 N GLY A 21 25.314 18.599 4.721 1.00 0.00 N ATOM 270 CA GLY A 21 24.968 19.594 5.719 1.00 0.00 C ATOM 271 C GLY A 21 24.778 18.992 7.097 1.00 0.00 C ATOM 272 O GLY A 21 25.147 17.846 7.353 1.00 0.00 O ATOM 0 H GLY A 21 24.556 18.347 4.086 1.00 0.00 H new ATOM 0 HA2 GLY A 21 25.752 20.350 5.761 1.00 0.00 H new ATOM 0 HA3 GLY A 21 24.052 20.102 5.418 1.00 0.00 H new ATOM 276 N PRO A 22 24.190 19.776 8.013 1.00 0.00 N ATOM 277 CA PRO A 22 23.939 19.334 9.388 1.00 0.00 C ATOM 278 C PRO A 22 22.856 18.264 9.465 1.00 0.00 C ATOM 279 O PRO A 22 21.841 18.344 8.775 1.00 0.00 O ATOM 280 CB PRO A 22 23.479 20.613 10.093 1.00 0.00 C ATOM 281 CG PRO A 22 22.915 21.462 9.006 1.00 0.00 C ATOM 282 CD PRO A 22 23.724 21.153 7.777 1.00 0.00 C ATOM 0 HA PRO A 22 24.821 18.877 9.837 1.00 0.00 H new ATOM 0 HB2 PRO A 22 22.731 20.398 10.856 1.00 0.00 H new ATOM 0 HB3 PRO A 22 24.310 21.110 10.593 1.00 0.00 H new ATOM 0 HG2 PRO A 22 21.860 21.240 8.845 1.00 0.00 H new ATOM 0 HG3 PRO A 22 22.982 22.519 9.262 1.00 0.00 H new ATOM 0 HD2 PRO A 22 23.122 21.224 6.871 1.00 0.00 H new ATOM 0 HD3 PRO A 22 24.558 21.845 7.660 1.00 0.00 H new ATOM 290 N GLY A 23 23.078 17.262 10.311 1.00 0.00 N ATOM 291 CA GLY A 23 22.111 16.191 10.462 1.00 0.00 C ATOM 292 C GLY A 23 22.713 14.953 11.099 1.00 0.00 C ATOM 293 O GLY A 23 23.814 14.985 11.649 1.00 0.00 O ATOM 0 H GLY A 23 23.910 17.173 10.894 1.00 0.00 H new ATOM 0 HA2 GLY A 23 21.278 16.541 11.071 1.00 0.00 H new ATOM 0 HA3 GLY A 23 21.704 15.932 9.484 1.00 0.00 H new ATOM 297 N PRO A 24 21.979 13.832 11.030 1.00 0.00 N ATOM 298 CA PRO A 24 20.667 13.783 10.379 1.00 0.00 C ATOM 299 C PRO A 24 19.604 14.548 11.160 1.00 0.00 C ATOM 300 O PRO A 24 19.523 14.443 12.383 1.00 0.00 O ATOM 301 CB PRO A 24 20.340 12.288 10.353 1.00 0.00 C ATOM 302 CG PRO A 24 21.116 11.710 11.486 1.00 0.00 C ATOM 303 CD PRO A 24 22.375 12.526 11.584 1.00 0.00 C ATOM 0 HA PRO A 24 20.683 14.247 9.393 1.00 0.00 H new ATOM 0 HB2 PRO A 24 19.271 12.115 10.476 1.00 0.00 H new ATOM 0 HB3 PRO A 24 20.629 11.836 9.404 1.00 0.00 H new ATOM 0 HG2 PRO A 24 20.546 11.758 12.414 1.00 0.00 H new ATOM 0 HG3 PRO A 24 21.345 10.659 11.307 1.00 0.00 H new ATOM 0 HD2 PRO A 24 22.718 12.614 12.615 1.00 0.00 H new ATOM 0 HD3 PRO A 24 23.189 12.078 11.015 1.00 0.00 H new ATOM 311 N SER A 25 18.789 15.316 10.444 1.00 0.00 N ATOM 312 CA SER A 25 17.732 16.101 11.071 1.00 0.00 C ATOM 313 C SER A 25 16.701 15.192 11.734 1.00 0.00 C ATOM 314 O SER A 25 16.640 13.990 11.478 1.00 0.00 O ATOM 315 CB SER A 25 17.048 16.995 10.034 1.00 0.00 C ATOM 316 OG SER A 25 17.109 16.416 8.742 1.00 0.00 O ATOM 0 H SER A 25 18.840 15.411 9.430 1.00 0.00 H new ATOM 0 HA SER A 25 18.186 16.728 11.839 1.00 0.00 H new ATOM 0 HB2 SER A 25 16.007 17.154 10.316 1.00 0.00 H new ATOM 0 HB3 SER A 25 17.527 17.974 10.020 1.00 0.00 H new ATOM 0 HG SER A 25 16.664 17.006 8.098 1.00 0.00 H new ATOM 322 N PRO A 26 15.870 15.780 12.608 1.00 0.00 N ATOM 323 CA PRO A 26 14.826 15.044 13.326 1.00 0.00 C ATOM 324 C PRO A 26 13.697 14.593 12.406 1.00 0.00 C ATOM 325 O PRO A 26 13.251 13.448 12.471 1.00 0.00 O ATOM 326 CB PRO A 26 14.311 16.062 14.346 1.00 0.00 C ATOM 327 CG PRO A 26 14.613 17.390 13.741 1.00 0.00 C ATOM 328 CD PRO A 26 15.886 17.210 12.961 1.00 0.00 C ATOM 0 HA PRO A 26 15.209 14.128 13.775 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.242 15.941 14.521 1.00 0.00 H new ATOM 0 HB3 PRO A 26 14.808 15.943 15.309 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.801 17.717 13.092 1.00 0.00 H new ATOM 0 HG3 PRO A 26 14.732 18.152 14.511 1.00 0.00 H new ATOM 0 HD2 PRO A 26 15.907 17.843 12.074 1.00 0.00 H new ATOM 0 HD3 PRO A 26 16.762 17.467 13.556 1.00 0.00 H new ATOM 336 N GLN A 27 13.240 15.501 11.549 1.00 0.00 N ATOM 337 CA GLN A 27 12.163 15.196 10.615 1.00 0.00 C ATOM 338 C GLN A 27 12.590 14.119 9.624 1.00 0.00 C ATOM 339 O GLN A 27 11.784 13.283 9.212 1.00 0.00 O ATOM 340 CB GLN A 27 11.737 16.458 9.864 1.00 0.00 C ATOM 341 CG GLN A 27 10.651 17.251 10.572 1.00 0.00 C ATOM 342 CD GLN A 27 11.206 18.405 11.384 1.00 0.00 C ATOM 343 OE1 GLN A 27 11.978 19.220 10.878 1.00 0.00 O ATOM 344 NE2 GLN A 27 10.814 18.481 12.650 1.00 0.00 N ATOM 0 H GLN A 27 13.599 16.453 11.483 1.00 0.00 H new ATOM 0 HA GLN A 27 11.315 14.820 11.188 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.608 17.098 9.722 1.00 0.00 H new ATOM 0 HB3 GLN A 27 11.382 16.178 8.872 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.948 17.636 9.834 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.091 16.586 11.229 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.173 17.784 13.028 1.00 0.00 H new ATOM 0 HE22 GLN A 27 11.154 19.237 13.245 1.00 0.00 H new ATOM 353 N CYS A 28 13.863 14.144 9.243 1.00 0.00 N ATOM 354 CA CYS A 28 14.398 13.171 8.298 1.00 0.00 C ATOM 355 C CYS A 28 14.359 11.763 8.887 1.00 0.00 C ATOM 356 O CYS A 28 13.870 10.827 8.253 1.00 0.00 O ATOM 357 CB CYS A 28 15.834 13.536 7.917 1.00 0.00 C ATOM 358 SG CYS A 28 16.748 12.194 7.091 1.00 0.00 S ATOM 0 H CYS A 28 14.543 14.828 9.574 1.00 0.00 H new ATOM 0 HA CYS A 28 13.775 13.190 7.403 1.00 0.00 H new ATOM 0 HB2 CYS A 28 15.814 14.406 7.260 1.00 0.00 H new ATOM 0 HB3 CYS A 28 16.374 13.829 8.817 1.00 0.00 H new ATOM 363 N CYS A 29 14.876 11.621 10.102 1.00 0.00 N ATOM 364 CA CYS A 29 14.901 10.329 10.777 1.00 0.00 C ATOM 365 C CYS A 29 13.510 9.702 10.803 1.00 0.00 C ATOM 366 O CYS A 29 13.327 8.555 10.398 1.00 0.00 O ATOM 367 CB CYS A 29 15.428 10.486 12.205 1.00 0.00 C ATOM 368 SG CYS A 29 17.224 10.774 12.307 1.00 0.00 S ATOM 0 H CYS A 29 15.284 12.385 10.640 1.00 0.00 H new ATOM 0 HA CYS A 29 15.568 9.670 10.221 1.00 0.00 H new ATOM 0 HB2 CYS A 29 14.910 11.317 12.683 1.00 0.00 H new ATOM 0 HB3 CYS A 29 15.182 9.589 12.772 1.00 0.00 H new ATOM 373 N GLY A 30 12.532 10.465 11.282 1.00 0.00 N ATOM 374 CA GLY A 30 11.170 9.968 11.352 1.00 0.00 C ATOM 375 C GLY A 30 10.685 9.416 10.025 1.00 0.00 C ATOM 376 O GLY A 30 10.095 8.338 9.972 1.00 0.00 O ATOM 0 H GLY A 30 12.658 11.418 11.623 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.110 9.187 12.110 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.508 10.774 11.671 1.00 0.00 H new ATOM 380 N GLY A 31 10.933 10.159 8.951 1.00 0.00 N ATOM 381 CA GLY A 31 10.510 9.723 7.633 1.00 0.00 C ATOM 382 C GLY A 31 11.259 8.493 7.161 1.00 0.00 C ATOM 383 O GLY A 31 10.669 7.583 6.578 1.00 0.00 O ATOM 0 H GLY A 31 11.419 11.055 8.970 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.441 9.509 7.650 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.662 10.533 6.920 1.00 0.00 H new ATOM 387 N VAL A 32 12.564 8.464 7.412 1.00 0.00 N ATOM 388 CA VAL A 32 13.395 7.337 7.008 1.00 0.00 C ATOM 389 C VAL A 32 12.846 6.025 7.556 1.00 0.00 C ATOM 390 O VAL A 32 12.518 5.111 6.799 1.00 0.00 O ATOM 391 CB VAL A 32 14.849 7.512 7.485 1.00 0.00 C ATOM 392 CG1 VAL A 32 15.691 6.310 7.085 1.00 0.00 C ATOM 393 CG2 VAL A 32 15.441 8.798 6.928 1.00 0.00 C ATOM 0 H VAL A 32 13.068 9.209 7.893 1.00 0.00 H new ATOM 0 HA VAL A 32 13.379 7.307 5.919 1.00 0.00 H new ATOM 0 HB VAL A 32 14.851 7.580 8.573 1.00 0.00 H new ATOM 0 HG11 VAL A 32 16.715 6.452 7.431 1.00 0.00 H new ATOM 0 HG12 VAL A 32 15.277 5.409 7.537 1.00 0.00 H new ATOM 0 HG13 VAL A 32 15.685 6.207 6.000 1.00 0.00 H new ATOM 0 HG21 VAL A 32 16.469 8.906 7.275 1.00 0.00 H new ATOM 0 HG22 VAL A 32 15.428 8.763 5.839 1.00 0.00 H new ATOM 0 HG23 VAL A 32 14.851 9.648 7.271 1.00 0.00 H new ATOM 403 N LYS A 33 12.749 5.937 8.879 1.00 0.00 N ATOM 404 CA LYS A 33 12.237 4.738 9.531 1.00 0.00 C ATOM 405 C LYS A 33 10.825 4.419 9.053 1.00 0.00 C ATOM 406 O LYS A 33 10.370 3.278 9.143 1.00 0.00 O ATOM 407 CB LYS A 33 12.245 4.917 11.051 1.00 0.00 C ATOM 408 CG LYS A 33 13.599 4.656 11.687 1.00 0.00 C ATOM 409 CD LYS A 33 13.606 5.037 13.159 1.00 0.00 C ATOM 410 CE LYS A 33 14.495 4.107 13.970 1.00 0.00 C ATOM 411 NZ LYS A 33 13.754 3.474 15.096 1.00 0.00 N ATOM 0 H LYS A 33 13.019 6.683 9.520 1.00 0.00 H new ATOM 0 HA LYS A 33 12.887 3.904 9.266 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.930 5.933 11.290 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.510 4.243 11.492 1.00 0.00 H new ATOM 0 HG2 LYS A 33 13.854 3.602 11.582 1.00 0.00 H new ATOM 0 HG3 LYS A 33 14.365 5.224 11.159 1.00 0.00 H new ATOM 0 HD2 LYS A 33 13.955 6.064 13.269 1.00 0.00 H new ATOM 0 HD3 LYS A 33 12.589 5.003 13.550 1.00 0.00 H new ATOM 0 HE2 LYS A 33 14.899 3.331 13.319 1.00 0.00 H new ATOM 0 HE3 LYS A 33 15.344 4.667 14.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 14.394 2.848 15.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 13.390 4.213 15.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 12.959 2.919 14.720 1.00 0.00 H new ATOM 425 N LYS A 34 10.134 5.433 8.543 1.00 0.00 N ATOM 426 CA LYS A 34 8.774 5.260 8.047 1.00 0.00 C ATOM 427 C LYS A 34 8.772 4.547 6.699 1.00 0.00 C ATOM 428 O LYS A 34 7.925 3.692 6.438 1.00 0.00 O ATOM 429 CB LYS A 34 8.080 6.618 7.918 1.00 0.00 C ATOM 430 CG LYS A 34 6.566 6.524 7.847 1.00 0.00 C ATOM 431 CD LYS A 34 5.905 7.309 8.967 1.00 0.00 C ATOM 432 CE LYS A 34 4.397 7.380 8.783 1.00 0.00 C ATOM 433 NZ LYS A 34 3.859 8.726 9.126 1.00 0.00 N ATOM 0 H LYS A 34 10.494 6.384 8.462 1.00 0.00 H new ATOM 0 HA LYS A 34 8.229 4.646 8.763 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.357 7.240 8.769 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.447 7.120 7.023 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.222 6.902 6.884 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.262 5.479 7.906 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.134 6.842 9.925 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.317 8.318 8.998 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.146 7.141 7.750 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.919 6.627 9.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.828 8.733 8.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.076 8.944 10.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.296 9.442 8.511 1.00 0.00 H new ATOM 447 N LEU A 35 9.726 4.902 5.846 1.00 0.00 N ATOM 448 CA LEU A 35 9.836 4.294 4.524 1.00 0.00 C ATOM 449 C LEU A 35 10.186 2.814 4.633 1.00 0.00 C ATOM 450 O LEU A 35 9.677 1.987 3.875 1.00 0.00 O ATOM 451 CB LEU A 35 10.895 5.021 3.693 1.00 0.00 C ATOM 452 CG LEU A 35 10.892 4.724 2.193 1.00 0.00 C ATOM 453 CD1 LEU A 35 11.608 5.827 1.429 1.00 0.00 C ATOM 454 CD2 LEU A 35 11.537 3.374 1.915 1.00 0.00 C ATOM 0 H LEU A 35 10.435 5.608 6.046 1.00 0.00 H new ATOM 0 HA LEU A 35 8.870 4.384 4.028 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.762 6.094 3.831 1.00 0.00 H new ATOM 0 HB3 LEU A 35 11.877 4.768 4.091 1.00 0.00 H new ATOM 0 HG LEU A 35 9.858 4.687 1.852 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.596 5.598 0.363 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.102 6.777 1.602 1.00 0.00 H new ATOM 0 HD13 LEU A 35 12.640 5.897 1.773 1.00 0.00 H new ATOM 0 HD21 LEU A 35 11.526 3.179 0.843 1.00 0.00 H new ATOM 0 HD22 LEU A 35 12.567 3.382 2.272 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.981 2.592 2.431 1.00 0.00 H new ATOM 466 N LEU A 36 11.056 2.485 5.581 1.00 0.00 N ATOM 467 CA LEU A 36 11.473 1.103 5.792 1.00 0.00 C ATOM 468 C LEU A 36 10.390 0.313 6.520 1.00 0.00 C ATOM 469 O LEU A 36 10.159 -0.859 6.225 1.00 0.00 O ATOM 470 CB LEU A 36 12.777 1.059 6.590 1.00 0.00 C ATOM 471 CG LEU A 36 14.064 1.239 5.784 1.00 0.00 C ATOM 472 CD1 LEU A 36 15.134 1.911 6.630 1.00 0.00 C ATOM 473 CD2 LEU A 36 14.558 -0.102 5.261 1.00 0.00 C ATOM 0 H LEU A 36 11.487 3.157 6.216 1.00 0.00 H new ATOM 0 HA LEU A 36 11.637 0.645 4.816 1.00 0.00 H new ATOM 0 HB2 LEU A 36 12.739 1.836 7.354 1.00 0.00 H new ATOM 0 HB3 LEU A 36 12.829 0.103 7.111 1.00 0.00 H new ATOM 0 HG LEU A 36 13.849 1.882 4.930 1.00 0.00 H new ATOM 0 HD11 LEU A 36 16.043 2.031 6.040 1.00 0.00 H new ATOM 0 HD12 LEU A 36 14.780 2.890 6.954 1.00 0.00 H new ATOM 0 HD13 LEU A 36 15.347 1.295 7.503 1.00 0.00 H new ATOM 0 HD21 LEU A 36 15.475 0.046 4.690 1.00 0.00 H new ATOM 0 HD22 LEU A 36 14.757 -0.769 6.100 1.00 0.00 H new ATOM 0 HD23 LEU A 36 13.797 -0.544 4.618 1.00 0.00 H new ATOM 485 N ALA A 37 9.728 0.964 7.471 1.00 0.00 N ATOM 486 CA ALA A 37 8.668 0.323 8.238 1.00 0.00 C ATOM 487 C ALA A 37 7.395 0.187 7.409 1.00 0.00 C ATOM 488 O ALA A 37 6.551 -0.664 7.686 1.00 0.00 O ATOM 489 CB ALA A 37 8.388 1.110 9.511 1.00 0.00 C ATOM 0 H ALA A 37 9.907 1.935 7.728 1.00 0.00 H new ATOM 0 HA ALA A 37 9.004 -0.678 8.508 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.594 0.620 10.074 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.292 1.152 10.119 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.078 2.122 9.252 1.00 0.00 H new ATOM 495 N ALA A 38 7.266 1.031 6.390 1.00 0.00 N ATOM 496 CA ALA A 38 6.097 1.003 5.519 1.00 0.00 C ATOM 497 C ALA A 38 6.213 -0.108 4.480 1.00 0.00 C ATOM 498 O ALA A 38 5.233 -0.462 3.826 1.00 0.00 O ATOM 499 CB ALA A 38 5.915 2.350 4.837 1.00 0.00 C ATOM 0 H ALA A 38 7.956 1.742 6.148 1.00 0.00 H new ATOM 0 HA ALA A 38 5.221 0.799 6.134 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.039 2.315 4.190 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.778 3.124 5.592 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.798 2.578 4.240 1.00 0.00 H new ATOM 505 N ALA A 39 7.416 -0.652 4.335 1.00 0.00 N ATOM 506 CA ALA A 39 7.659 -1.723 3.376 1.00 0.00 C ATOM 507 C ALA A 39 8.270 -2.942 4.058 1.00 0.00 C ATOM 508 O ALA A 39 9.488 -3.041 4.200 1.00 0.00 O ATOM 509 CB ALA A 39 8.566 -1.233 2.256 1.00 0.00 C ATOM 0 H ALA A 39 8.238 -0.369 4.869 1.00 0.00 H new ATOM 0 HA ALA A 39 6.701 -2.020 2.950 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.739 -2.043 1.547 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.091 -0.397 1.743 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.518 -0.908 2.675 1.00 0.00 H new ATOM 515 N ASN A 40 7.415 -3.869 4.479 1.00 0.00 N ATOM 516 CA ASN A 40 7.871 -5.082 5.148 1.00 0.00 C ATOM 517 C ASN A 40 8.170 -6.182 4.135 1.00 0.00 C ATOM 518 O ASN A 40 9.104 -6.966 4.309 1.00 0.00 O ATOM 519 CB ASN A 40 6.817 -5.565 6.146 1.00 0.00 C ATOM 520 CG ASN A 40 7.257 -6.808 6.896 1.00 0.00 C ATOM 521 OD1 ASN A 40 8.451 -7.054 7.065 1.00 0.00 O ATOM 522 ND2 ASN A 40 6.291 -7.599 7.348 1.00 0.00 N ATOM 0 H ASN A 40 6.403 -3.803 4.369 1.00 0.00 H new ATOM 0 HA ASN A 40 8.790 -4.848 5.685 1.00 0.00 H new ATOM 0 HB2 ASN A 40 6.605 -4.769 6.860 1.00 0.00 H new ATOM 0 HB3 ASN A 40 5.888 -5.774 5.616 1.00 0.00 H new ATOM 0 HD21 ASN A 40 6.526 -8.450 7.859 1.00 0.00 H new ATOM 0 HD22 ASN A 40 5.314 -7.355 7.185 1.00 0.00 H new ATOM 529 N THR A 41 7.371 -6.235 3.074 1.00 0.00 N ATOM 530 CA THR A 41 7.549 -7.239 2.032 1.00 0.00 C ATOM 531 C THR A 41 8.554 -6.773 0.985 1.00 0.00 C ATOM 532 O THR A 41 9.187 -5.728 1.138 1.00 0.00 O ATOM 533 CB THR A 41 6.215 -7.570 1.336 1.00 0.00 C ATOM 534 OG1 THR A 41 5.801 -6.467 0.523 1.00 0.00 O ATOM 535 CG2 THR A 41 5.135 -7.886 2.360 1.00 0.00 C ATOM 0 H THR A 41 6.594 -5.594 2.914 1.00 0.00 H new ATOM 0 HA THR A 41 7.928 -8.137 2.520 1.00 0.00 H new ATOM 0 HB THR A 41 6.365 -8.448 0.708 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.953 -6.685 0.082 1.00 0.00 H new ATOM 0 HG21 THR A 41 4.202 -8.117 1.846 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.441 -8.744 2.959 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.987 -7.024 3.011 1.00 0.00 H new ATOM 543 N THR A 42 8.695 -7.553 -0.082 1.00 0.00 N ATOM 544 CA THR A 42 9.623 -7.220 -1.155 1.00 0.00 C ATOM 545 C THR A 42 9.008 -6.214 -2.121 1.00 0.00 C ATOM 546 O THR A 42 9.610 -5.195 -2.460 1.00 0.00 O ATOM 547 CB THR A 42 10.048 -8.475 -1.940 1.00 0.00 C ATOM 548 OG1 THR A 42 9.976 -9.629 -1.096 1.00 0.00 O ATOM 549 CG2 THR A 42 11.462 -8.323 -2.481 1.00 0.00 C ATOM 0 H THR A 42 8.178 -8.420 -0.226 1.00 0.00 H new ATOM 0 HA THR A 42 10.503 -6.779 -0.686 1.00 0.00 H new ATOM 0 HB THR A 42 9.366 -8.598 -2.781 1.00 0.00 H new ATOM 0 HG1 THR A 42 10.246 -10.423 -1.603 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.740 -9.222 -3.032 1.00 0.00 H new ATOM 0 HG22 THR A 42 11.506 -7.461 -3.147 1.00 0.00 H new ATOM 0 HG23 THR A 42 12.155 -8.177 -1.652 1.00 0.00 H new ATOM 557 N PRO A 43 7.780 -6.503 -2.576 1.00 0.00 N ATOM 558 CA PRO A 43 7.057 -5.635 -3.509 1.00 0.00 C ATOM 559 C PRO A 43 7.077 -4.173 -3.075 1.00 0.00 C ATOM 560 O PRO A 43 7.409 -3.286 -3.862 1.00 0.00 O ATOM 561 CB PRO A 43 5.629 -6.184 -3.471 1.00 0.00 C ATOM 562 CG PRO A 43 5.783 -7.613 -3.078 1.00 0.00 C ATOM 563 CD PRO A 43 7.004 -7.701 -2.215 1.00 0.00 C ATOM 0 HA PRO A 43 7.505 -5.643 -4.503 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.015 -5.640 -2.753 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.143 -6.091 -4.442 1.00 0.00 H new ATOM 0 HG2 PRO A 43 4.903 -7.961 -2.537 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.887 -8.246 -3.959 1.00 0.00 H new ATOM 0 HD2 PRO A 43 6.745 -7.705 -1.156 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.566 -8.615 -2.410 1.00 0.00 H new ATOM 571 N ASP A 44 6.721 -3.929 -1.819 1.00 0.00 N ATOM 572 CA ASP A 44 6.700 -2.574 -1.279 1.00 0.00 C ATOM 573 C ASP A 44 8.105 -1.982 -1.245 1.00 0.00 C ATOM 574 O ASP A 44 8.310 -0.823 -1.607 1.00 0.00 O ATOM 575 CB ASP A 44 6.097 -2.571 0.126 1.00 0.00 C ATOM 576 CG ASP A 44 4.594 -2.372 0.111 1.00 0.00 C ATOM 577 OD1 ASP A 44 3.949 -2.804 -0.866 1.00 0.00 O ATOM 578 OD2 ASP A 44 4.064 -1.782 1.076 1.00 0.00 O ATOM 0 H ASP A 44 6.443 -4.652 -1.155 1.00 0.00 H new ATOM 0 HA ASP A 44 6.081 -1.958 -1.932 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.331 -3.514 0.620 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.560 -1.779 0.715 1.00 0.00 H new ATOM 583 N ARG A 45 9.070 -2.784 -0.806 1.00 0.00 N ATOM 584 CA ARG A 45 10.455 -2.338 -0.722 1.00 0.00 C ATOM 585 C ARG A 45 11.007 -2.013 -2.107 1.00 0.00 C ATOM 586 O ARG A 45 11.909 -1.188 -2.247 1.00 0.00 O ATOM 587 CB ARG A 45 11.319 -3.410 -0.055 1.00 0.00 C ATOM 588 CG ARG A 45 11.323 -3.333 1.463 1.00 0.00 C ATOM 589 CD ARG A 45 12.318 -4.311 2.068 1.00 0.00 C ATOM 590 NE ARG A 45 11.773 -5.663 2.151 1.00 0.00 N ATOM 591 CZ ARG A 45 12.461 -6.706 2.605 1.00 0.00 C ATOM 592 NH1 ARG A 45 13.712 -6.551 3.014 1.00 0.00 N ATOM 593 NH2 ARG A 45 11.896 -7.906 2.650 1.00 0.00 N ATOM 0 H ARG A 45 8.918 -3.746 -0.503 1.00 0.00 H new ATOM 0 HA ARG A 45 10.482 -1.431 -0.117 1.00 0.00 H new ATOM 0 HB2 ARG A 45 10.961 -4.394 -0.359 1.00 0.00 H new ATOM 0 HB3 ARG A 45 12.343 -3.317 -0.418 1.00 0.00 H new ATOM 0 HG2 ARG A 45 11.572 -2.319 1.776 1.00 0.00 H new ATOM 0 HG3 ARG A 45 10.324 -3.548 1.842 1.00 0.00 H new ATOM 0 HD2 ARG A 45 13.227 -4.323 1.466 1.00 0.00 H new ATOM 0 HD3 ARG A 45 12.600 -3.972 3.065 1.00 0.00 H new ATOM 0 HE ARG A 45 10.812 -5.816 1.844 1.00 0.00 H new ATOM 0 HH11 ARG A 45 14.149 -5.630 2.981 1.00 0.00 H new ATOM 0 HH12 ARG A 45 14.238 -7.353 3.362 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.933 -8.029 2.336 1.00 0.00 H new ATOM 0 HH22 ARG A 45 12.425 -8.706 2.998 1.00 0.00 H new ATOM 607 N GLN A 46 10.459 -2.668 -3.125 1.00 0.00 N ATOM 608 CA GLN A 46 10.898 -2.450 -4.498 1.00 0.00 C ATOM 609 C GLN A 46 10.442 -1.085 -5.005 1.00 0.00 C ATOM 610 O GLN A 46 11.209 -0.359 -5.636 1.00 0.00 O ATOM 611 CB GLN A 46 10.357 -3.552 -5.410 1.00 0.00 C ATOM 612 CG GLN A 46 11.286 -4.749 -5.535 1.00 0.00 C ATOM 613 CD GLN A 46 10.849 -5.717 -6.617 1.00 0.00 C ATOM 614 OE1 GLN A 46 10.651 -5.330 -7.769 1.00 0.00 O ATOM 615 NE2 GLN A 46 10.696 -6.984 -6.251 1.00 0.00 N ATOM 0 H GLN A 46 9.711 -3.354 -3.025 1.00 0.00 H new ATOM 0 HA GLN A 46 11.988 -2.478 -4.513 1.00 0.00 H new ATOM 0 HB2 GLN A 46 9.394 -3.889 -5.027 1.00 0.00 H new ATOM 0 HB3 GLN A 46 10.178 -3.136 -6.402 1.00 0.00 H new ATOM 0 HG2 GLN A 46 12.295 -4.399 -5.752 1.00 0.00 H new ATOM 0 HG3 GLN A 46 11.328 -5.273 -4.580 1.00 0.00 H new ATOM 0 HE21 GLN A 46 10.871 -7.260 -5.285 1.00 0.00 H new ATOM 0 HE22 GLN A 46 10.403 -7.681 -6.936 1.00 0.00 H new ATOM 624 N ALA A 47 9.189 -0.744 -4.724 1.00 0.00 N ATOM 625 CA ALA A 47 8.631 0.534 -5.150 1.00 0.00 C ATOM 626 C ALA A 47 9.428 1.700 -4.574 1.00 0.00 C ATOM 627 O ALA A 47 9.867 2.586 -5.306 1.00 0.00 O ATOM 628 CB ALA A 47 7.170 0.636 -4.737 1.00 0.00 C ATOM 0 H ALA A 47 8.541 -1.335 -4.203 1.00 0.00 H new ATOM 0 HA ALA A 47 8.694 0.586 -6.237 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.766 1.595 -5.061 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.604 -0.172 -5.201 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.092 0.558 -3.653 1.00 0.00 H new ATOM 634 N ALA A 48 9.610 1.693 -3.257 1.00 0.00 N ATOM 635 CA ALA A 48 10.355 2.749 -2.584 1.00 0.00 C ATOM 636 C ALA A 48 11.771 2.861 -3.138 1.00 0.00 C ATOM 637 O ALA A 48 12.202 3.936 -3.558 1.00 0.00 O ATOM 638 CB ALA A 48 10.392 2.496 -1.084 1.00 0.00 C ATOM 0 H ALA A 48 9.252 0.968 -2.636 1.00 0.00 H new ATOM 0 HA ALA A 48 9.844 3.694 -2.770 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.952 3.293 -0.594 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.375 2.474 -0.693 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.876 1.539 -0.888 1.00 0.00 H new ATOM 644 N CYS A 49 12.493 1.745 -3.136 1.00 0.00 N ATOM 645 CA CYS A 49 13.861 1.717 -3.637 1.00 0.00 C ATOM 646 C CYS A 49 13.957 2.408 -4.995 1.00 0.00 C ATOM 647 O CYS A 49 14.911 3.135 -5.266 1.00 0.00 O ATOM 648 CB CYS A 49 14.356 0.274 -3.750 1.00 0.00 C ATOM 649 SG CYS A 49 14.917 -0.445 -2.173 1.00 0.00 S ATOM 0 H CYS A 49 12.152 0.847 -2.792 1.00 0.00 H new ATOM 0 HA CYS A 49 14.492 2.255 -2.930 1.00 0.00 H new ATOM 0 HB2 CYS A 49 13.554 -0.344 -4.154 1.00 0.00 H new ATOM 0 HB3 CYS A 49 15.177 0.238 -4.466 1.00 0.00 H new ATOM 654 N ASN A 50 12.962 2.173 -5.843 1.00 0.00 N ATOM 655 CA ASN A 50 12.934 2.771 -7.173 1.00 0.00 C ATOM 656 C ASN A 50 12.873 4.293 -7.083 1.00 0.00 C ATOM 657 O ASN A 50 13.578 4.997 -7.807 1.00 0.00 O ATOM 658 CB ASN A 50 11.734 2.247 -7.966 1.00 0.00 C ATOM 659 CG ASN A 50 11.773 0.742 -8.146 1.00 0.00 C ATOM 660 OD1 ASN A 50 12.845 0.136 -8.171 1.00 0.00 O ATOM 661 ND2 ASN A 50 10.601 0.131 -8.271 1.00 0.00 N ATOM 0 H ASN A 50 12.164 1.573 -5.633 1.00 0.00 H new ATOM 0 HA ASN A 50 13.852 2.491 -7.690 1.00 0.00 H new ATOM 0 HB2 ASN A 50 10.813 2.525 -7.453 1.00 0.00 H new ATOM 0 HB3 ASN A 50 11.711 2.727 -8.944 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.564 -0.881 -8.394 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.738 0.673 -8.244 1.00 0.00 H new ATOM 668 N CYS A 51 12.026 4.794 -6.190 1.00 0.00 N ATOM 669 CA CYS A 51 11.872 6.232 -6.005 1.00 0.00 C ATOM 670 C CYS A 51 13.093 6.824 -5.306 1.00 0.00 C ATOM 671 O CYS A 51 13.450 7.982 -5.529 1.00 0.00 O ATOM 672 CB CYS A 51 10.611 6.530 -5.192 1.00 0.00 C ATOM 673 SG CYS A 51 9.065 6.412 -6.148 1.00 0.00 S ATOM 0 H CYS A 51 11.436 4.225 -5.583 1.00 0.00 H new ATOM 0 HA CYS A 51 11.779 6.692 -6.989 1.00 0.00 H new ATOM 0 HB2 CYS A 51 10.560 5.836 -4.353 1.00 0.00 H new ATOM 0 HB3 CYS A 51 10.691 7.533 -4.772 1.00 0.00 H new ATOM 678 N LEU A 52 13.730 6.022 -4.459 1.00 0.00 N ATOM 679 CA LEU A 52 14.911 6.466 -3.727 1.00 0.00 C ATOM 680 C LEU A 52 16.121 6.560 -4.651 1.00 0.00 C ATOM 681 O LEU A 52 16.765 7.605 -4.744 1.00 0.00 O ATOM 682 CB LEU A 52 15.210 5.507 -2.573 1.00 0.00 C ATOM 683 CG LEU A 52 14.547 5.839 -1.236 1.00 0.00 C ATOM 684 CD1 LEU A 52 14.814 4.739 -0.220 1.00 0.00 C ATOM 685 CD2 LEU A 52 15.042 7.180 -0.714 1.00 0.00 C ATOM 0 H LEU A 52 13.448 5.062 -4.263 1.00 0.00 H new ATOM 0 HA LEU A 52 14.707 7.458 -3.324 1.00 0.00 H new ATOM 0 HB2 LEU A 52 14.901 4.505 -2.870 1.00 0.00 H new ATOM 0 HB3 LEU A 52 16.289 5.476 -2.423 1.00 0.00 H new ATOM 0 HG LEU A 52 13.471 5.907 -1.393 1.00 0.00 H new ATOM 0 HD11 LEU A 52 14.334 4.993 0.725 1.00 0.00 H new ATOM 0 HD12 LEU A 52 14.411 3.796 -0.590 1.00 0.00 H new ATOM 0 HD13 LEU A 52 15.888 4.639 -0.066 1.00 0.00 H new ATOM 0 HD21 LEU A 52 14.560 7.400 0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 52 16.122 7.139 -0.573 1.00 0.00 H new ATOM 0 HD23 LEU A 52 14.799 7.962 -1.433 1.00 0.00 H new ATOM 697 N LYS A 53 16.423 5.462 -5.336 1.00 0.00 N ATOM 698 CA LYS A 53 17.553 5.421 -6.256 1.00 0.00 C ATOM 699 C LYS A 53 17.506 6.595 -7.229 1.00 0.00 C ATOM 700 O LYS A 53 18.526 7.228 -7.502 1.00 0.00 O ATOM 701 CB LYS A 53 17.556 4.102 -7.033 1.00 0.00 C ATOM 702 CG LYS A 53 18.946 3.627 -7.419 1.00 0.00 C ATOM 703 CD LYS A 53 19.072 2.117 -7.303 1.00 0.00 C ATOM 704 CE LYS A 53 18.093 1.404 -8.223 1.00 0.00 C ATOM 705 NZ LYS A 53 17.155 0.531 -7.466 1.00 0.00 N ATOM 0 H LYS A 53 15.900 4.588 -5.271 1.00 0.00 H new ATOM 0 HA LYS A 53 18.469 5.494 -5.670 1.00 0.00 H new ATOM 0 HB2 LYS A 53 17.073 3.333 -6.430 1.00 0.00 H new ATOM 0 HB3 LYS A 53 16.958 4.221 -7.936 1.00 0.00 H new ATOM 0 HG2 LYS A 53 19.165 3.934 -8.442 1.00 0.00 H new ATOM 0 HG3 LYS A 53 19.686 4.105 -6.777 1.00 0.00 H new ATOM 0 HD2 LYS A 53 20.090 1.816 -7.550 1.00 0.00 H new ATOM 0 HD3 LYS A 53 18.891 1.814 -6.272 1.00 0.00 H new ATOM 0 HE2 LYS A 53 17.525 2.141 -8.790 1.00 0.00 H new ATOM 0 HE3 LYS A 53 18.645 0.803 -8.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 16.431 0.156 -8.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 17.682 -0.259 -7.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 16.695 1.084 -6.715 1.00 0.00 H new ATOM 719 N SER A 54 16.316 6.882 -7.746 1.00 0.00 N ATOM 720 CA SER A 54 16.138 7.980 -8.690 1.00 0.00 C ATOM 721 C SER A 54 16.181 9.325 -7.972 1.00 0.00 C ATOM 722 O SER A 54 16.521 10.348 -8.567 1.00 0.00 O ATOM 723 CB SER A 54 14.810 7.829 -9.434 1.00 0.00 C ATOM 724 OG SER A 54 14.850 8.489 -10.688 1.00 0.00 O ATOM 0 H SER A 54 15.461 6.370 -7.528 1.00 0.00 H new ATOM 0 HA SER A 54 16.956 7.945 -9.409 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.591 6.772 -9.583 1.00 0.00 H new ATOM 0 HB3 SER A 54 14.002 8.240 -8.829 1.00 0.00 H new ATOM 0 HG SER A 54 13.990 8.376 -11.144 1.00 0.00 H new ATOM 730 N ALA A 55 15.835 9.316 -6.689 1.00 0.00 N ATOM 731 CA ALA A 55 15.836 10.535 -5.889 1.00 0.00 C ATOM 732 C ALA A 55 17.259 10.970 -5.554 1.00 0.00 C ATOM 733 O ALA A 55 17.637 12.118 -5.783 1.00 0.00 O ATOM 734 CB ALA A 55 15.030 10.330 -4.615 1.00 0.00 C ATOM 0 H ALA A 55 15.550 8.478 -6.181 1.00 0.00 H new ATOM 0 HA ALA A 55 15.371 11.327 -6.476 1.00 0.00 H new ATOM 0 HB1 ALA A 55 15.039 11.248 -4.027 1.00 0.00 H new ATOM 0 HB2 ALA A 55 14.002 10.074 -4.872 1.00 0.00 H new ATOM 0 HB3 ALA A 55 15.471 9.521 -4.032 1.00 0.00 H new ATOM 740 N ALA A 56 18.042 10.045 -5.009 1.00 0.00 N ATOM 741 CA ALA A 56 19.424 10.333 -4.643 1.00 0.00 C ATOM 742 C ALA A 56 20.266 10.636 -5.878 1.00 0.00 C ATOM 743 O ALA A 56 21.376 11.157 -5.771 1.00 0.00 O ATOM 744 CB ALA A 56 20.019 9.167 -3.869 1.00 0.00 C ATOM 0 H ALA A 56 17.743 9.090 -4.811 1.00 0.00 H new ATOM 0 HA ALA A 56 19.429 11.217 -4.006 1.00 0.00 H new ATOM 0 HB1 ALA A 56 21.051 9.396 -3.602 1.00 0.00 H new ATOM 0 HB2 ALA A 56 19.439 8.998 -2.962 1.00 0.00 H new ATOM 0 HB3 ALA A 56 19.995 8.270 -4.487 1.00 0.00 H new ATOM 750 N GLY A 57 19.732 10.306 -7.050 1.00 0.00 N ATOM 751 CA GLY A 57 20.449 10.549 -8.287 1.00 0.00 C ATOM 752 C GLY A 57 20.752 12.019 -8.503 1.00 0.00 C ATOM 753 O GLY A 57 21.604 12.371 -9.318 1.00 0.00 O ATOM 0 H GLY A 57 18.815 9.874 -7.164 1.00 0.00 H new ATOM 0 HA2 GLY A 57 21.382 9.986 -8.279 1.00 0.00 H new ATOM 0 HA3 GLY A 57 19.859 10.176 -9.124 1.00 0.00 H new ATOM 757 N SER A 58 20.050 12.879 -7.771 1.00 0.00 N ATOM 758 CA SER A 58 20.244 14.319 -7.890 1.00 0.00 C ATOM 759 C SER A 58 21.269 14.815 -6.874 1.00 0.00 C ATOM 760 O SER A 58 21.554 16.011 -6.797 1.00 0.00 O ATOM 761 CB SER A 58 18.916 15.052 -7.691 1.00 0.00 C ATOM 762 OG SER A 58 18.322 14.704 -6.453 1.00 0.00 O ATOM 0 H SER A 58 19.342 12.603 -7.090 1.00 0.00 H new ATOM 0 HA SER A 58 20.620 14.529 -8.891 1.00 0.00 H new ATOM 0 HB2 SER A 58 19.082 16.129 -7.728 1.00 0.00 H new ATOM 0 HB3 SER A 58 18.236 14.806 -8.506 1.00 0.00 H new ATOM 0 HG SER A 58 18.032 13.768 -6.481 1.00 0.00 H new ATOM 768 N ILE A 59 21.819 13.888 -6.098 1.00 0.00 N ATOM 769 CA ILE A 59 22.813 14.230 -5.088 1.00 0.00 C ATOM 770 C ILE A 59 24.209 14.312 -5.695 1.00 0.00 C ATOM 771 O ILE A 59 24.854 13.291 -5.937 1.00 0.00 O ATOM 772 CB ILE A 59 22.824 13.205 -3.939 1.00 0.00 C ATOM 773 CG1 ILE A 59 21.413 13.020 -3.377 1.00 0.00 C ATOM 774 CG2 ILE A 59 23.782 13.647 -2.843 1.00 0.00 C ATOM 775 CD1 ILE A 59 21.343 12.038 -2.228 1.00 0.00 C ATOM 0 H ILE A 59 21.593 12.895 -6.149 1.00 0.00 H new ATOM 0 HA ILE A 59 22.535 15.206 -4.690 1.00 0.00 H new ATOM 0 HB ILE A 59 23.167 12.247 -4.331 1.00 0.00 H new ATOM 0 HG12 ILE A 59 21.035 13.986 -3.042 1.00 0.00 H new ATOM 0 HG13 ILE A 59 20.754 12.679 -4.176 1.00 0.00 H new ATOM 0 HG21 ILE A 59 23.778 12.912 -2.038 1.00 0.00 H new ATOM 0 HG22 ILE A 59 24.789 13.732 -3.252 1.00 0.00 H new ATOM 0 HG23 ILE A 59 23.466 14.614 -2.452 1.00 0.00 H new ATOM 0 HD11 ILE A 59 20.313 11.957 -1.880 1.00 0.00 H new ATOM 0 HD12 ILE A 59 21.690 11.061 -2.563 1.00 0.00 H new ATOM 0 HD13 ILE A 59 21.975 12.388 -1.412 1.00 0.00 H new ATOM 787 N THR A 60 24.672 15.534 -5.939 1.00 0.00 N ATOM 788 CA THR A 60 25.993 15.749 -6.517 1.00 0.00 C ATOM 789 C THR A 60 27.091 15.283 -5.569 1.00 0.00 C ATOM 790 O THR A 60 27.111 15.653 -4.395 1.00 0.00 O ATOM 791 CB THR A 60 26.221 17.234 -6.859 1.00 0.00 C ATOM 792 OG1 THR A 60 27.579 17.441 -7.262 1.00 0.00 O ATOM 793 CG2 THR A 60 25.901 18.119 -5.664 1.00 0.00 C ATOM 0 H THR A 60 24.152 16.390 -5.745 1.00 0.00 H new ATOM 0 HA THR A 60 26.036 15.161 -7.434 1.00 0.00 H new ATOM 0 HB THR A 60 25.555 17.502 -7.679 1.00 0.00 H new ATOM 0 HG1 THR A 60 27.715 18.387 -7.479 1.00 0.00 H new ATOM 0 HG21 THR A 60 26.069 19.163 -5.929 1.00 0.00 H new ATOM 0 HG22 THR A 60 24.858 17.981 -5.378 1.00 0.00 H new ATOM 0 HG23 THR A 60 26.546 17.848 -4.828 1.00 0.00 H new ATOM 801 N LYS A 61 28.006 14.469 -6.085 1.00 0.00 N ATOM 802 CA LYS A 61 29.110 13.953 -5.286 1.00 0.00 C ATOM 803 C LYS A 61 28.594 13.247 -4.036 1.00 0.00 C ATOM 804 O LYS A 61 29.099 13.465 -2.934 1.00 0.00 O ATOM 805 CB LYS A 61 30.055 15.090 -4.889 1.00 0.00 C ATOM 806 CG LYS A 61 31.019 15.492 -5.991 1.00 0.00 C ATOM 807 CD LYS A 61 32.426 15.696 -5.455 1.00 0.00 C ATOM 808 CE LYS A 61 33.361 16.226 -6.530 1.00 0.00 C ATOM 809 NZ LYS A 61 33.317 17.712 -6.620 1.00 0.00 N ATOM 0 H LYS A 61 28.004 14.152 -7.055 1.00 0.00 H new ATOM 0 HA LYS A 61 29.656 13.229 -5.891 1.00 0.00 H new ATOM 0 HB2 LYS A 61 29.463 15.959 -4.600 1.00 0.00 H new ATOM 0 HB3 LYS A 61 30.626 14.787 -4.011 1.00 0.00 H new ATOM 0 HG2 LYS A 61 31.031 14.723 -6.763 1.00 0.00 H new ATOM 0 HG3 LYS A 61 30.671 16.411 -6.462 1.00 0.00 H new ATOM 0 HD2 LYS A 61 32.400 16.394 -4.618 1.00 0.00 H new ATOM 0 HD3 LYS A 61 32.810 14.751 -5.071 1.00 0.00 H new ATOM 0 HE2 LYS A 61 34.380 15.905 -6.315 1.00 0.00 H new ATOM 0 HE3 LYS A 61 33.088 15.796 -7.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 33.968 18.034 -7.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 32.350 18.017 -6.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 33.602 18.124 -5.709 1.00 0.00 H new ATOM 823 N LEU A 62 27.585 12.401 -4.213 1.00 0.00 N ATOM 824 CA LEU A 62 27.001 11.662 -3.100 1.00 0.00 C ATOM 825 C LEU A 62 28.082 10.949 -2.293 1.00 0.00 C ATOM 826 O LEU A 62 29.023 10.391 -2.855 1.00 0.00 O ATOM 827 CB LEU A 62 25.980 10.646 -3.615 1.00 0.00 C ATOM 828 CG LEU A 62 25.403 9.687 -2.574 1.00 0.00 C ATOM 829 CD1 LEU A 62 24.141 10.266 -1.955 1.00 0.00 C ATOM 830 CD2 LEU A 62 25.118 8.329 -3.200 1.00 0.00 C ATOM 0 H LEU A 62 27.154 12.210 -5.118 1.00 0.00 H new ATOM 0 HA LEU A 62 26.497 12.375 -2.448 1.00 0.00 H new ATOM 0 HB2 LEU A 62 25.155 11.191 -4.074 1.00 0.00 H new ATOM 0 HB3 LEU A 62 26.450 10.056 -4.402 1.00 0.00 H new ATOM 0 HG LEU A 62 26.141 9.553 -1.783 1.00 0.00 H new ATOM 0 HD11 LEU A 62 23.745 9.569 -1.217 1.00 0.00 H new ATOM 0 HD12 LEU A 62 24.375 11.214 -1.470 1.00 0.00 H new ATOM 0 HD13 LEU A 62 23.396 10.431 -2.734 1.00 0.00 H new ATOM 0 HD21 LEU A 62 24.708 7.659 -2.444 1.00 0.00 H new ATOM 0 HD22 LEU A 62 24.399 8.446 -4.011 1.00 0.00 H new ATOM 0 HD23 LEU A 62 26.043 7.909 -3.594 1.00 0.00 H new ATOM 842 N ASN A 63 27.938 10.971 -0.972 1.00 0.00 N ATOM 843 CA ASN A 63 28.901 10.325 -0.087 1.00 0.00 C ATOM 844 C ASN A 63 28.312 9.058 0.525 1.00 0.00 C ATOM 845 O ASN A 63 27.497 9.120 1.446 1.00 0.00 O ATOM 846 CB ASN A 63 29.332 11.287 1.021 1.00 0.00 C ATOM 847 CG ASN A 63 30.749 11.026 1.495 1.00 0.00 C ATOM 848 OD1 ASN A 63 31.111 9.892 1.809 1.00 0.00 O ATOM 849 ND2 ASN A 63 31.558 12.077 1.549 1.00 0.00 N ATOM 0 H ASN A 63 27.164 11.429 -0.491 1.00 0.00 H new ATOM 0 HA ASN A 63 29.774 10.050 -0.679 1.00 0.00 H new ATOM 0 HB2 ASN A 63 29.256 12.312 0.658 1.00 0.00 H new ATOM 0 HB3 ASN A 63 28.647 11.196 1.864 1.00 0.00 H new ATOM 0 HD21 ASN A 63 32.523 11.963 1.860 1.00 0.00 H new ATOM 0 HD22 ASN A 63 31.215 12.999 1.279 1.00 0.00 H new ATOM 856 N THR A 64 28.732 7.907 0.008 1.00 0.00 N ATOM 857 CA THR A 64 28.247 6.625 0.502 1.00 0.00 C ATOM 858 C THR A 64 28.427 6.514 2.012 1.00 0.00 C ATOM 859 O THR A 64 27.653 5.841 2.691 1.00 0.00 O ATOM 860 CB THR A 64 28.973 5.449 -0.178 1.00 0.00 C ATOM 861 OG1 THR A 64 30.384 5.693 -0.202 1.00 0.00 O ATOM 862 CG2 THR A 64 28.464 5.247 -1.597 1.00 0.00 C ATOM 0 H THR A 64 29.407 7.837 -0.753 1.00 0.00 H new ATOM 0 HA THR A 64 27.185 6.575 0.260 1.00 0.00 H new ATOM 0 HB THR A 64 28.771 4.545 0.396 1.00 0.00 H new ATOM 0 HG1 THR A 64 30.839 4.940 -0.634 1.00 0.00 H new ATOM 0 HG21 THR A 64 28.991 4.411 -2.057 1.00 0.00 H new ATOM 0 HG22 THR A 64 27.395 5.033 -1.573 1.00 0.00 H new ATOM 0 HG23 THR A 64 28.640 6.152 -2.179 1.00 0.00 H new ATOM 870 N ASN A 65 29.454 7.178 2.531 1.00 0.00 N ATOM 871 CA ASN A 65 29.736 7.154 3.961 1.00 0.00 C ATOM 872 C ASN A 65 28.647 7.883 4.743 1.00 0.00 C ATOM 873 O ASN A 65 28.132 7.369 5.735 1.00 0.00 O ATOM 874 CB ASN A 65 31.097 7.793 4.245 1.00 0.00 C ATOM 875 CG ASN A 65 32.244 7.003 3.643 1.00 0.00 C ATOM 876 OD1 ASN A 65 32.678 7.274 2.524 1.00 0.00 O ATOM 877 ND2 ASN A 65 32.739 6.020 4.386 1.00 0.00 N ATOM 0 H ASN A 65 30.105 7.740 1.982 1.00 0.00 H new ATOM 0 HA ASN A 65 29.756 6.113 4.284 1.00 0.00 H new ATOM 0 HB2 ASN A 65 31.109 8.807 3.846 1.00 0.00 H new ATOM 0 HB3 ASN A 65 31.240 7.872 5.323 1.00 0.00 H new ATOM 0 HD21 ASN A 65 33.511 5.454 4.034 1.00 0.00 H new ATOM 0 HD22 ASN A 65 32.347 5.831 5.309 1.00 0.00 H new ATOM 884 N ASN A 66 28.302 9.083 4.288 1.00 0.00 N ATOM 885 CA ASN A 66 27.274 9.882 4.944 1.00 0.00 C ATOM 886 C ASN A 66 25.897 9.247 4.770 1.00 0.00 C ATOM 887 O ASN A 66 25.081 9.250 5.690 1.00 0.00 O ATOM 888 CB ASN A 66 27.267 11.304 4.379 1.00 0.00 C ATOM 889 CG ASN A 66 28.465 12.114 4.837 1.00 0.00 C ATOM 890 OD1 ASN A 66 29.569 11.587 4.972 1.00 0.00 O ATOM 891 ND2 ASN A 66 28.250 13.402 5.079 1.00 0.00 N ATOM 0 H ASN A 66 28.719 9.523 3.468 1.00 0.00 H new ATOM 0 HA ASN A 66 27.504 9.922 6.009 1.00 0.00 H new ATOM 0 HB2 ASN A 66 27.257 11.259 3.290 1.00 0.00 H new ATOM 0 HB3 ASN A 66 26.351 11.809 4.686 1.00 0.00 H new ATOM 0 HD21 ASN A 66 29.017 13.997 5.390 1.00 0.00 H new ATOM 0 HD22 ASN A 66 27.318 13.796 4.953 1.00 0.00 H new ATOM 898 N ALA A 67 25.648 8.703 3.583 1.00 0.00 N ATOM 899 CA ALA A 67 24.373 8.062 3.289 1.00 0.00 C ATOM 900 C ALA A 67 24.109 6.901 4.242 1.00 0.00 C ATOM 901 O ALA A 67 22.974 6.672 4.658 1.00 0.00 O ATOM 902 CB ALA A 67 24.344 7.581 1.846 1.00 0.00 C ATOM 0 H ALA A 67 26.313 8.694 2.810 1.00 0.00 H new ATOM 0 HA ALA A 67 23.583 8.800 3.430 1.00 0.00 H new ATOM 0 HB1 ALA A 67 23.386 7.104 1.641 1.00 0.00 H new ATOM 0 HB2 ALA A 67 24.477 8.431 1.176 1.00 0.00 H new ATOM 0 HB3 ALA A 67 25.148 6.863 1.686 1.00 0.00 H new ATOM 908 N ALA A 68 25.166 6.171 4.584 1.00 0.00 N ATOM 909 CA ALA A 68 25.048 5.034 5.488 1.00 0.00 C ATOM 910 C ALA A 68 24.911 5.496 6.935 1.00 0.00 C ATOM 911 O ALA A 68 24.285 4.824 7.754 1.00 0.00 O ATOM 912 CB ALA A 68 26.250 4.113 5.338 1.00 0.00 C ATOM 0 H ALA A 68 26.113 6.347 4.249 1.00 0.00 H new ATOM 0 HA ALA A 68 24.146 4.482 5.223 1.00 0.00 H new ATOM 0 HB1 ALA A 68 26.148 3.268 6.019 1.00 0.00 H new ATOM 0 HB2 ALA A 68 26.303 3.748 4.312 1.00 0.00 H new ATOM 0 HB3 ALA A 68 27.161 4.662 5.575 1.00 0.00 H new ATOM 918 N ALA A 69 25.501 6.646 7.243 1.00 0.00 N ATOM 919 CA ALA A 69 25.444 7.198 8.591 1.00 0.00 C ATOM 920 C ALA A 69 24.058 7.758 8.896 1.00 0.00 C ATOM 921 O ALA A 69 23.650 7.834 10.055 1.00 0.00 O ATOM 922 CB ALA A 69 26.501 8.277 8.765 1.00 0.00 C ATOM 0 H ALA A 69 26.024 7.214 6.577 1.00 0.00 H new ATOM 0 HA ALA A 69 25.645 6.392 9.296 1.00 0.00 H new ATOM 0 HB1 ALA A 69 26.446 8.680 9.776 1.00 0.00 H new ATOM 0 HB2 ALA A 69 27.489 7.849 8.598 1.00 0.00 H new ATOM 0 HB3 ALA A 69 26.326 9.077 8.046 1.00 0.00 H new ATOM 928 N LEU A 70 23.340 8.149 7.849 1.00 0.00 N ATOM 929 CA LEU A 70 21.999 8.703 8.006 1.00 0.00 C ATOM 930 C LEU A 70 21.094 7.735 8.761 1.00 0.00 C ATOM 931 O LEU A 70 20.537 8.057 9.810 1.00 0.00 O ATOM 932 CB LEU A 70 21.395 9.021 6.637 1.00 0.00 C ATOM 933 CG LEU A 70 19.872 8.931 6.538 1.00 0.00 C ATOM 934 CD1 LEU A 70 19.215 9.873 7.535 1.00 0.00 C ATOM 935 CD2 LEU A 70 19.410 9.243 5.122 1.00 0.00 C ATOM 0 H LEU A 70 23.663 8.093 6.883 1.00 0.00 H new ATOM 0 HA LEU A 70 22.078 9.623 8.585 1.00 0.00 H new ATOM 0 HB2 LEU A 70 21.699 10.029 6.354 1.00 0.00 H new ATOM 0 HB3 LEU A 70 21.828 8.340 5.904 1.00 0.00 H new ATOM 0 HG LEU A 70 19.571 7.912 6.781 1.00 0.00 H new ATOM 0 HD11 LEU A 70 18.131 9.795 7.450 1.00 0.00 H new ATOM 0 HD12 LEU A 70 19.520 9.603 8.546 1.00 0.00 H new ATOM 0 HD13 LEU A 70 19.523 10.897 7.325 1.00 0.00 H new ATOM 0 HD21 LEU A 70 18.323 9.174 5.070 1.00 0.00 H new ATOM 0 HD22 LEU A 70 19.723 10.251 4.851 1.00 0.00 H new ATOM 0 HD23 LEU A 70 19.852 8.527 4.429 1.00 0.00 H new ATOM 947 N PRO A 71 20.945 6.517 8.217 1.00 0.00 N ATOM 948 CA PRO A 71 20.111 5.476 8.824 1.00 0.00 C ATOM 949 C PRO A 71 20.712 4.933 10.117 1.00 0.00 C ATOM 950 O PRO A 71 20.005 4.729 11.103 1.00 0.00 O ATOM 951 CB PRO A 71 20.072 4.383 7.753 1.00 0.00 C ATOM 952 CG PRO A 71 21.319 4.583 6.962 1.00 0.00 C ATOM 953 CD PRO A 71 21.580 6.064 6.968 1.00 0.00 C ATOM 0 HA PRO A 71 19.127 5.853 9.104 1.00 0.00 H new ATOM 0 HB2 PRO A 71 20.043 3.390 8.202 1.00 0.00 H new ATOM 0 HB3 PRO A 71 19.186 4.475 7.125 1.00 0.00 H new ATOM 0 HG2 PRO A 71 22.153 4.038 7.404 1.00 0.00 H new ATOM 0 HG3 PRO A 71 21.199 4.212 5.944 1.00 0.00 H new ATOM 0 HD2 PRO A 71 22.648 6.284 6.957 1.00 0.00 H new ATOM 0 HD3 PRO A 71 21.145 6.552 6.096 1.00 0.00 H new ATOM 961 N GLY A 72 22.021 4.701 10.105 1.00 0.00 N ATOM 962 CA GLY A 72 22.694 4.184 11.282 1.00 0.00 C ATOM 963 C GLY A 72 22.592 5.124 12.467 1.00 0.00 C ATOM 964 O GLY A 72 22.447 4.683 13.608 1.00 0.00 O ATOM 0 H GLY A 72 22.627 4.862 9.301 1.00 0.00 H new ATOM 0 HA2 GLY A 72 22.263 3.219 11.549 1.00 0.00 H new ATOM 0 HA3 GLY A 72 23.745 4.010 11.049 1.00 0.00 H new ATOM 968 N LYS A 73 22.669 6.423 12.199 1.00 0.00 N ATOM 969 CA LYS A 73 22.585 7.428 13.252 1.00 0.00 C ATOM 970 C LYS A 73 21.141 7.626 13.701 1.00 0.00 C ATOM 971 O LYS A 73 20.882 7.999 14.846 1.00 0.00 O ATOM 972 CB LYS A 73 23.164 8.758 12.763 1.00 0.00 C ATOM 973 CG LYS A 73 24.675 8.743 12.609 1.00 0.00 C ATOM 974 CD LYS A 73 25.345 9.685 13.595 1.00 0.00 C ATOM 975 CE LYS A 73 26.661 10.218 13.049 1.00 0.00 C ATOM 976 NZ LYS A 73 27.306 11.174 13.992 1.00 0.00 N ATOM 0 H LYS A 73 22.790 6.805 11.261 1.00 0.00 H new ATOM 0 HA LYS A 73 23.167 7.075 14.103 1.00 0.00 H new ATOM 0 HB2 LYS A 73 22.712 9.011 11.804 1.00 0.00 H new ATOM 0 HB3 LYS A 73 22.886 9.545 13.464 1.00 0.00 H new ATOM 0 HG2 LYS A 73 25.047 7.730 12.762 1.00 0.00 H new ATOM 0 HG3 LYS A 73 24.941 9.030 11.592 1.00 0.00 H new ATOM 0 HD2 LYS A 73 24.677 10.518 13.816 1.00 0.00 H new ATOM 0 HD3 LYS A 73 25.524 9.163 14.535 1.00 0.00 H new ATOM 0 HE2 LYS A 73 27.338 9.386 12.856 1.00 0.00 H new ATOM 0 HE3 LYS A 73 26.484 10.713 12.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 28.200 11.515 13.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 26.671 11.981 14.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 27.498 10.695 14.895 1.00 0.00 H new ATOM 990 N CYS A 74 20.203 7.371 12.795 1.00 0.00 N ATOM 991 CA CYS A 74 18.785 7.520 13.098 1.00 0.00 C ATOM 992 C CYS A 74 18.243 6.273 13.791 1.00 0.00 C ATOM 993 O CYS A 74 17.051 6.179 14.081 1.00 0.00 O ATOM 994 CB CYS A 74 17.993 7.789 11.817 1.00 0.00 C ATOM 995 SG CYS A 74 18.187 9.479 11.165 1.00 0.00 S ATOM 0 H CYS A 74 20.400 7.060 11.844 1.00 0.00 H new ATOM 0 HA CYS A 74 18.671 8.369 13.773 1.00 0.00 H new ATOM 0 HB2 CYS A 74 18.306 7.078 11.053 1.00 0.00 H new ATOM 0 HB3 CYS A 74 16.936 7.604 12.010 1.00 0.00 H new ATOM 1000 N GLY A 75 19.129 5.316 14.053 1.00 0.00 N ATOM 1001 CA GLY A 75 18.721 4.087 14.709 1.00 0.00 C ATOM 1002 C GLY A 75 17.945 3.168 13.787 1.00 0.00 C ATOM 1003 O GLY A 75 16.961 2.552 14.198 1.00 0.00 O ATOM 0 H GLY A 75 20.121 5.370 13.823 1.00 0.00 H new ATOM 0 HA2 GLY A 75 19.604 3.565 15.078 1.00 0.00 H new ATOM 0 HA3 GLY A 75 18.107 4.328 15.577 1.00 0.00 H new ATOM 1007 N VAL A 76 18.386 3.075 12.537 1.00 0.00 N ATOM 1008 CA VAL A 76 17.725 2.224 11.554 1.00 0.00 C ATOM 1009 C VAL A 76 18.736 1.608 10.593 1.00 0.00 C ATOM 1010 O VAL A 76 19.689 2.263 10.174 1.00 0.00 O ATOM 1011 CB VAL A 76 16.678 3.012 10.745 1.00 0.00 C ATOM 1012 CG1 VAL A 76 17.340 4.137 9.965 1.00 0.00 C ATOM 1013 CG2 VAL A 76 15.917 2.081 9.812 1.00 0.00 C ATOM 0 H VAL A 76 19.198 3.578 12.181 1.00 0.00 H new ATOM 0 HA VAL A 76 17.224 1.430 12.107 1.00 0.00 H new ATOM 0 HB VAL A 76 15.966 3.456 11.440 1.00 0.00 H new ATOM 0 HG11 VAL A 76 16.584 4.682 9.400 1.00 0.00 H new ATOM 0 HG12 VAL A 76 17.836 4.817 10.658 1.00 0.00 H new ATOM 0 HG13 VAL A 76 18.076 3.719 9.278 1.00 0.00 H new ATOM 0 HG21 VAL A 76 15.181 2.653 9.248 1.00 0.00 H new ATOM 0 HG22 VAL A 76 16.615 1.607 9.122 1.00 0.00 H new ATOM 0 HG23 VAL A 76 15.409 1.315 10.397 1.00 0.00 H new ATOM 1023 N ASN A 77 18.519 0.343 10.247 1.00 0.00 N ATOM 1024 CA ASN A 77 19.412 -0.363 9.335 1.00 0.00 C ATOM 1025 C ASN A 77 18.673 -0.781 8.067 1.00 0.00 C ATOM 1026 O ASN A 77 17.479 -1.077 8.101 1.00 0.00 O ATOM 1027 CB ASN A 77 20.007 -1.594 10.022 1.00 0.00 C ATOM 1028 CG ASN A 77 20.984 -2.337 9.131 1.00 0.00 C ATOM 1029 OD1 ASN A 77 20.839 -3.537 8.896 1.00 0.00 O ATOM 1030 ND2 ASN A 77 21.987 -1.625 8.630 1.00 0.00 N ATOM 0 H ASN A 77 17.733 -0.214 10.584 1.00 0.00 H new ATOM 0 HA ASN A 77 20.219 0.315 9.058 1.00 0.00 H new ATOM 0 HB2 ASN A 77 20.515 -1.287 10.936 1.00 0.00 H new ATOM 0 HB3 ASN A 77 19.202 -2.268 10.315 1.00 0.00 H new ATOM 0 HD21 ASN A 77 22.676 -2.071 8.024 1.00 0.00 H new ATOM 0 HD22 ASN A 77 22.068 -0.633 8.851 1.00 0.00 H new ATOM 1037 N ILE A 78 19.393 -0.804 6.950 1.00 0.00 N ATOM 1038 CA ILE A 78 18.807 -1.187 5.672 1.00 0.00 C ATOM 1039 C ILE A 78 19.477 -2.438 5.113 1.00 0.00 C ATOM 1040 O ILE A 78 20.601 -2.785 5.476 1.00 0.00 O ATOM 1041 CB ILE A 78 18.920 -0.052 4.638 1.00 0.00 C ATOM 1042 CG1 ILE A 78 20.270 0.655 4.770 1.00 0.00 C ATOM 1043 CG2 ILE A 78 17.778 0.938 4.812 1.00 0.00 C ATOM 1044 CD1 ILE A 78 20.259 1.800 5.759 1.00 0.00 C ATOM 0 H ILE A 78 20.383 -0.562 6.905 1.00 0.00 H new ATOM 0 HA ILE A 78 17.753 -1.394 5.858 1.00 0.00 H new ATOM 0 HB ILE A 78 18.853 -0.482 3.639 1.00 0.00 H new ATOM 0 HG12 ILE A 78 21.023 -0.071 5.076 1.00 0.00 H new ATOM 0 HG13 ILE A 78 20.570 1.033 3.793 1.00 0.00 H new ATOM 0 HG21 ILE A 78 17.871 1.735 4.074 1.00 0.00 H new ATOM 0 HG22 ILE A 78 16.827 0.424 4.673 1.00 0.00 H new ATOM 0 HG23 ILE A 78 17.816 1.365 5.814 1.00 0.00 H new ATOM 0 HD11 ILE A 78 21.249 2.254 5.801 1.00 0.00 H new ATOM 0 HD12 ILE A 78 19.530 2.546 5.443 1.00 0.00 H new ATOM 0 HD13 ILE A 78 19.990 1.425 6.747 1.00 0.00 H new ATOM 1056 N PRO A 79 18.774 -3.131 4.205 1.00 0.00 N ATOM 1057 CA PRO A 79 19.282 -4.352 3.574 1.00 0.00 C ATOM 1058 C PRO A 79 20.432 -4.072 2.613 1.00 0.00 C ATOM 1059 O PRO A 79 21.299 -4.922 2.402 1.00 0.00 O ATOM 1060 CB PRO A 79 18.068 -4.890 2.813 1.00 0.00 C ATOM 1061 CG PRO A 79 17.224 -3.690 2.549 1.00 0.00 C ATOM 1062 CD PRO A 79 17.428 -2.775 3.725 1.00 0.00 C ATOM 0 HA PRO A 79 19.687 -5.051 4.306 1.00 0.00 H new ATOM 0 HB2 PRO A 79 18.367 -5.376 1.884 1.00 0.00 H new ATOM 0 HB3 PRO A 79 17.528 -5.632 3.402 1.00 0.00 H new ATOM 0 HG2 PRO A 79 17.518 -3.203 1.619 1.00 0.00 H new ATOM 0 HG3 PRO A 79 16.174 -3.966 2.446 1.00 0.00 H new ATOM 0 HD2 PRO A 79 17.370 -1.726 3.433 1.00 0.00 H new ATOM 0 HD3 PRO A 79 16.672 -2.934 4.494 1.00 0.00 H new ATOM 1070 N TYR A 80 20.435 -2.877 2.033 1.00 0.00 N ATOM 1071 CA TYR A 80 21.479 -2.487 1.092 1.00 0.00 C ATOM 1072 C TYR A 80 21.947 -1.060 1.360 1.00 0.00 C ATOM 1073 O TYR A 80 21.407 -0.368 2.223 1.00 0.00 O ATOM 1074 CB TYR A 80 20.970 -2.607 -0.345 1.00 0.00 C ATOM 1075 CG TYR A 80 22.043 -2.993 -1.337 1.00 0.00 C ATOM 1076 CD1 TYR A 80 22.596 -4.268 -1.332 1.00 0.00 C ATOM 1077 CD2 TYR A 80 22.504 -2.084 -2.281 1.00 0.00 C ATOM 1078 CE1 TYR A 80 23.578 -4.625 -2.236 1.00 0.00 C ATOM 1079 CE2 TYR A 80 23.484 -2.432 -3.190 1.00 0.00 C ATOM 1080 CZ TYR A 80 24.018 -3.703 -3.163 1.00 0.00 C ATOM 1081 OH TYR A 80 24.995 -4.055 -4.067 1.00 0.00 O ATOM 0 H TYR A 80 19.727 -2.162 2.198 1.00 0.00 H new ATOM 0 HA TYR A 80 22.326 -3.160 1.228 1.00 0.00 H new ATOM 0 HB2 TYR A 80 20.172 -3.349 -0.378 1.00 0.00 H new ATOM 0 HB3 TYR A 80 20.533 -1.655 -0.647 1.00 0.00 H new ATOM 0 HD1 TYR A 80 22.252 -4.993 -0.609 1.00 0.00 H new ATOM 0 HD2 TYR A 80 22.089 -1.087 -2.305 1.00 0.00 H new ATOM 0 HE1 TYR A 80 23.998 -5.620 -2.217 1.00 0.00 H new ATOM 0 HE2 TYR A 80 23.830 -1.713 -3.918 1.00 0.00 H new ATOM 0 HH TYR A 80 25.191 -3.292 -4.651 1.00 0.00 H new ATOM 1091 N LYS A 81 22.957 -0.626 0.613 1.00 0.00 N ATOM 1092 CA LYS A 81 23.500 0.719 0.766 1.00 0.00 C ATOM 1093 C LYS A 81 22.668 1.733 -0.013 1.00 0.00 C ATOM 1094 O LYS A 81 21.926 1.370 -0.926 1.00 0.00 O ATOM 1095 CB LYS A 81 24.953 0.762 0.290 1.00 0.00 C ATOM 1096 CG LYS A 81 25.801 1.793 1.014 1.00 0.00 C ATOM 1097 CD LYS A 81 25.926 1.472 2.494 1.00 0.00 C ATOM 1098 CE LYS A 81 27.357 1.640 2.982 1.00 0.00 C ATOM 1099 NZ LYS A 81 28.235 0.530 2.519 1.00 0.00 N ATOM 0 H LYS A 81 23.416 -1.187 -0.105 1.00 0.00 H new ATOM 0 HA LYS A 81 23.463 0.981 1.823 1.00 0.00 H new ATOM 0 HB2 LYS A 81 25.400 -0.223 0.425 1.00 0.00 H new ATOM 0 HB3 LYS A 81 24.970 0.976 -0.779 1.00 0.00 H new ATOM 0 HG2 LYS A 81 26.793 1.830 0.564 1.00 0.00 H new ATOM 0 HG3 LYS A 81 25.358 2.781 0.891 1.00 0.00 H new ATOM 0 HD2 LYS A 81 25.266 2.125 3.066 1.00 0.00 H new ATOM 0 HD3 LYS A 81 25.597 0.449 2.675 1.00 0.00 H new ATOM 0 HE2 LYS A 81 27.754 2.590 2.624 1.00 0.00 H new ATOM 0 HE3 LYS A 81 27.367 1.681 4.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 29.201 0.681 2.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 27.871 -0.374 2.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 28.246 0.507 1.479 1.00 0.00 H new ATOM 1113 N ILE A 82 22.799 3.004 0.353 1.00 0.00 N ATOM 1114 CA ILE A 82 22.061 4.070 -0.314 1.00 0.00 C ATOM 1115 C ILE A 82 22.922 4.759 -1.366 1.00 0.00 C ATOM 1116 O ILE A 82 23.774 5.587 -1.041 1.00 0.00 O ATOM 1117 CB ILE A 82 21.559 5.122 0.693 1.00 0.00 C ATOM 1118 CG1 ILE A 82 20.641 4.471 1.729 1.00 0.00 C ATOM 1119 CG2 ILE A 82 20.836 6.246 -0.033 1.00 0.00 C ATOM 1120 CD1 ILE A 82 21.383 3.871 2.903 1.00 0.00 C ATOM 0 H ILE A 82 23.409 3.320 1.107 1.00 0.00 H new ATOM 0 HA ILE A 82 21.203 3.605 -0.799 1.00 0.00 H new ATOM 0 HB ILE A 82 22.418 5.546 1.213 1.00 0.00 H new ATOM 0 HG12 ILE A 82 19.937 5.217 2.098 1.00 0.00 H new ATOM 0 HG13 ILE A 82 20.054 3.691 1.243 1.00 0.00 H new ATOM 0 HG21 ILE A 82 20.487 6.982 0.692 1.00 0.00 H new ATOM 0 HG22 ILE A 82 21.519 6.724 -0.735 1.00 0.00 H new ATOM 0 HG23 ILE A 82 19.983 5.839 -0.576 1.00 0.00 H new ATOM 0 HD11 ILE A 82 20.669 3.427 3.597 1.00 0.00 H new ATOM 0 HD12 ILE A 82 22.068 3.102 2.546 1.00 0.00 H new ATOM 0 HD13 ILE A 82 21.948 4.651 3.413 1.00 0.00 H new ATOM 1132 N SER A 83 22.694 4.413 -2.629 1.00 0.00 N ATOM 1133 CA SER A 83 23.450 4.998 -3.730 1.00 0.00 C ATOM 1134 C SER A 83 22.782 4.698 -5.068 1.00 0.00 C ATOM 1135 O SER A 83 21.704 4.104 -5.119 1.00 0.00 O ATOM 1136 CB SER A 83 24.884 4.463 -3.733 1.00 0.00 C ATOM 1137 OG SER A 83 25.705 5.209 -4.614 1.00 0.00 O ATOM 0 H SER A 83 21.992 3.731 -2.915 1.00 0.00 H new ATOM 0 HA SER A 83 23.472 6.079 -3.589 1.00 0.00 H new ATOM 0 HB2 SER A 83 25.294 4.507 -2.724 1.00 0.00 H new ATOM 0 HB3 SER A 83 24.884 3.415 -4.031 1.00 0.00 H new ATOM 0 HG SER A 83 26.616 4.848 -4.596 1.00 0.00 H new ATOM 1143 N THR A 84 23.429 5.113 -6.153 1.00 0.00 N ATOM 1144 CA THR A 84 22.898 4.891 -7.492 1.00 0.00 C ATOM 1145 C THR A 84 23.240 3.493 -7.994 1.00 0.00 C ATOM 1146 O THR A 84 22.964 3.149 -9.144 1.00 0.00 O ATOM 1147 CB THR A 84 23.441 5.930 -8.491 1.00 0.00 C ATOM 1148 OG1 THR A 84 24.871 5.961 -8.437 1.00 0.00 O ATOM 1149 CG2 THR A 84 22.886 7.314 -8.187 1.00 0.00 C ATOM 0 H THR A 84 24.322 5.605 -6.130 1.00 0.00 H new ATOM 0 HA THR A 84 21.815 4.995 -7.424 1.00 0.00 H new ATOM 0 HB THR A 84 23.123 5.640 -9.492 1.00 0.00 H new ATOM 0 HG1 THR A 84 25.208 6.623 -9.076 1.00 0.00 H new ATOM 0 HG21 THR A 84 23.283 8.031 -8.905 1.00 0.00 H new ATOM 0 HG22 THR A 84 21.799 7.294 -8.258 1.00 0.00 H new ATOM 0 HG23 THR A 84 23.178 7.610 -7.179 1.00 0.00 H new ATOM 1157 N THR A 85 23.843 2.688 -7.125 1.00 0.00 N ATOM 1158 CA THR A 85 24.224 1.327 -7.480 1.00 0.00 C ATOM 1159 C THR A 85 23.565 0.312 -6.553 1.00 0.00 C ATOM 1160 O THR A 85 24.225 -0.586 -6.028 1.00 0.00 O ATOM 1161 CB THR A 85 25.752 1.138 -7.426 1.00 0.00 C ATOM 1162 OG1 THR A 85 26.216 1.285 -6.080 1.00 0.00 O ATOM 1163 CG2 THR A 85 26.453 2.147 -8.323 1.00 0.00 C ATOM 0 H THR A 85 24.078 2.956 -6.169 1.00 0.00 H new ATOM 0 HA THR A 85 23.881 1.160 -8.501 1.00 0.00 H new ATOM 0 HB THR A 85 25.986 0.135 -7.782 1.00 0.00 H new ATOM 0 HG1 THR A 85 25.826 0.581 -5.521 1.00 0.00 H new ATOM 0 HG21 THR A 85 27.531 1.995 -8.269 1.00 0.00 H new ATOM 0 HG22 THR A 85 26.119 2.013 -9.352 1.00 0.00 H new ATOM 0 HG23 THR A 85 26.212 3.157 -7.992 1.00 0.00 H new ATOM 1171 N THR A 86 22.259 0.459 -6.354 1.00 0.00 N ATOM 1172 CA THR A 86 21.511 -0.445 -5.490 1.00 0.00 C ATOM 1173 C THR A 86 20.463 -1.220 -6.280 1.00 0.00 C ATOM 1174 O THR A 86 19.829 -0.680 -7.185 1.00 0.00 O ATOM 1175 CB THR A 86 20.815 0.318 -4.347 1.00 0.00 C ATOM 1176 OG1 THR A 86 21.793 0.871 -3.460 1.00 0.00 O ATOM 1177 CG2 THR A 86 19.881 -0.600 -3.573 1.00 0.00 C ATOM 0 H THR A 86 21.697 1.196 -6.780 1.00 0.00 H new ATOM 0 HA THR A 86 22.232 -1.144 -5.065 1.00 0.00 H new ATOM 0 HB THR A 86 20.226 1.124 -4.784 1.00 0.00 H new ATOM 0 HG1 THR A 86 21.381 1.050 -2.589 1.00 0.00 H new ATOM 0 HG21 THR A 86 19.401 -0.039 -2.771 1.00 0.00 H new ATOM 0 HG22 THR A 86 19.120 -0.995 -4.245 1.00 0.00 H new ATOM 0 HG23 THR A 86 20.452 -1.425 -3.147 1.00 0.00 H new ATOM 1185 N ASN A 87 20.285 -2.490 -5.931 1.00 0.00 N ATOM 1186 CA ASN A 87 19.313 -3.340 -6.609 1.00 0.00 C ATOM 1187 C ASN A 87 18.441 -4.081 -5.599 1.00 0.00 C ATOM 1188 O ASN A 87 18.813 -5.146 -5.105 1.00 0.00 O ATOM 1189 CB ASN A 87 20.027 -4.344 -7.517 1.00 0.00 C ATOM 1190 CG ASN A 87 19.201 -4.710 -8.735 1.00 0.00 C ATOM 1191 OD1 ASN A 87 17.984 -4.527 -8.752 1.00 0.00 O ATOM 1192 ND2 ASN A 87 19.862 -5.231 -9.762 1.00 0.00 N ATOM 0 H ASN A 87 20.801 -2.953 -5.183 1.00 0.00 H new ATOM 0 HA ASN A 87 18.672 -2.702 -7.218 1.00 0.00 H new ATOM 0 HB2 ASN A 87 20.980 -3.924 -7.840 1.00 0.00 H new ATOM 0 HB3 ASN A 87 20.253 -5.247 -6.949 1.00 0.00 H new ATOM 0 HD21 ASN A 87 19.360 -5.497 -10.609 1.00 0.00 H new ATOM 0 HD22 ASN A 87 20.872 -5.365 -9.704 1.00 0.00 H new ATOM 1199 N CYS A 88 17.280 -3.511 -5.297 1.00 0.00 N ATOM 1200 CA CYS A 88 16.354 -4.116 -4.348 1.00 0.00 C ATOM 1201 C CYS A 88 15.541 -5.225 -5.011 1.00 0.00 C ATOM 1202 O CYS A 88 15.365 -6.302 -4.445 1.00 0.00 O ATOM 1203 CB CYS A 88 15.414 -3.055 -3.772 1.00 0.00 C ATOM 1204 SG CYS A 88 16.216 -1.903 -2.610 1.00 0.00 S ATOM 0 H CYS A 88 16.958 -2.630 -5.696 1.00 0.00 H new ATOM 0 HA CYS A 88 16.938 -4.552 -3.538 1.00 0.00 H new ATOM 0 HB2 CYS A 88 14.982 -2.483 -4.593 1.00 0.00 H new ATOM 0 HB3 CYS A 88 14.590 -3.554 -3.262 1.00 0.00 H new