USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 634 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 33 THR OG1 : rot -110:sc= 0.45 USER MOD Set 1.2: A 38 LYS NZ :NH3+ 154:sc= -1.2 (180deg=-3.74!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 179:sc= 1.24 (180deg=1.24) USER MOD Single : A 5 LYS NZ :NH3+ -156:sc= 0.78 (180deg=0.292) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0139 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.377 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 42 GLN : amide:sc= -0.0561 X(o=-0.056,f=-0.44) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0463 USER MOD Single : A 45 LYS NZ :NH3+ -172:sc= 0.372 (180deg=0.337) USER MOD Single : A 49 LYS NZ :NH3+ -164:sc= 0.716 (180deg=0.569) USER MOD Single : A 50 MET CE :methyl 155:sc= -0.364 (180deg=-0.708) USER MOD Single : A 52 LYS NZ :NH3+ -119:sc= 0.639 (180deg=-0.0936) USER MOD Single : A 55 LYS NZ :NH3+ -122:sc= 0.826 (180deg=-0.547) USER MOD Single : A 56 LYS NZ :NH3+ -135:sc= 0.0109 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 143:sc= -0.102 (180deg=-2.02!) USER MOD Single : A 60 ASN : amide:sc= -0.0663 X(o=-0.066,f=-0.19) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -132:sc= 0.724 (180deg=-0.919!) USER MOD Single : A 66 THR OG1 : rot 180:sc=-0.00758 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.0052) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.0066) USER MOD Single : A 75 HIS : no HD1:sc= -0.52 X(o=-0.52,f=-0.14) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.550 12.847 -4.415 1.00 32.14 N ATOM 2 CA MET A 1 0.541 13.332 -5.287 1.00 14.21 C ATOM 3 C MET A 1 1.498 12.175 -5.620 1.00 50.22 C ATOM 4 O MET A 1 1.771 11.896 -6.798 1.00 31.34 O ATOM 5 CB MET A 1 1.299 14.500 -4.600 1.00 74.04 C ATOM 6 CG MET A 1 2.465 15.088 -5.419 1.00 23.34 C ATOM 7 SD MET A 1 1.948 15.706 -7.036 1.00 24.20 S ATOM 8 CE MET A 1 3.494 16.337 -7.695 1.00 31.03 C ATOM 0 H1 MET A 1 -1.184 13.637 -4.180 1.00 32.14 H new ATOM 0 H2 MET A 1 -1.088 12.108 -4.911 1.00 32.14 H new ATOM 0 H3 MET A 1 -0.147 12.455 -3.540 1.00 32.14 H new ATOM 0 HA MET A 1 0.116 13.706 -6.218 1.00 14.21 H new ATOM 0 HB2 MET A 1 0.588 15.297 -4.383 1.00 74.04 H new ATOM 0 HB3 MET A 1 1.687 14.150 -3.643 1.00 74.04 H new ATOM 0 HG2 MET A 1 2.925 15.900 -4.856 1.00 23.34 H new ATOM 0 HG3 MET A 1 3.229 14.322 -5.556 1.00 23.34 H new ATOM 0 HE1 MET A 1 3.324 16.749 -8.690 1.00 31.03 H new ATOM 0 HE2 MET A 1 3.877 17.119 -7.039 1.00 31.03 H new ATOM 0 HE3 MET A 1 4.221 15.527 -7.757 1.00 31.03 H new ATOM 20 N VAL A 2 2.007 11.507 -4.566 1.00 31.44 N ATOM 21 CA VAL A 2 2.961 10.398 -4.705 1.00 44.21 C ATOM 22 C VAL A 2 2.205 9.084 -4.982 1.00 71.34 C ATOM 23 O VAL A 2 1.497 8.574 -4.117 1.00 75.10 O ATOM 24 CB VAL A 2 3.866 10.261 -3.426 1.00 64.31 C ATOM 25 CG1 VAL A 2 4.919 9.134 -3.589 1.00 55.23 C ATOM 26 CG2 VAL A 2 4.538 11.611 -3.096 1.00 44.32 C ATOM 0 H VAL A 2 1.767 11.723 -3.599 1.00 31.44 H new ATOM 0 HA VAL A 2 3.616 10.613 -5.550 1.00 44.21 H new ATOM 0 HB VAL A 2 3.226 9.982 -2.589 1.00 64.31 H new ATOM 0 HG11 VAL A 2 5.526 9.069 -2.686 1.00 55.23 H new ATOM 0 HG12 VAL A 2 4.412 8.183 -3.754 1.00 55.23 H new ATOM 0 HG13 VAL A 2 5.561 9.356 -4.442 1.00 55.23 H new ATOM 0 HG21 VAL A 2 5.161 11.500 -2.208 1.00 44.32 H new ATOM 0 HG22 VAL A 2 5.157 11.925 -3.937 1.00 44.32 H new ATOM 0 HG23 VAL A 2 3.771 12.363 -2.909 1.00 44.32 H new ATOM 36 N ASP A 3 2.364 8.559 -6.197 1.00 0.04 N ATOM 37 CA ASP A 3 1.650 7.363 -6.666 1.00 33.15 C ATOM 38 C ASP A 3 2.521 6.104 -6.451 1.00 21.40 C ATOM 39 O ASP A 3 3.631 5.997 -6.993 1.00 44.12 O ATOM 40 CB ASP A 3 1.278 7.573 -8.150 1.00 74.33 C ATOM 41 CG ASP A 3 0.583 6.376 -8.807 1.00 42.00 C ATOM 42 OD1 ASP A 3 -0.466 5.916 -8.290 1.00 23.42 O ATOM 43 OD2 ASP A 3 1.060 5.914 -9.867 1.00 51.44 O ATOM 0 H ASP A 3 2.997 8.953 -6.893 1.00 0.04 H new ATOM 0 HA ASP A 3 0.734 7.210 -6.096 1.00 33.15 H new ATOM 0 HB2 ASP A 3 0.626 8.443 -8.228 1.00 74.33 H new ATOM 0 HB3 ASP A 3 2.185 7.802 -8.710 1.00 74.33 H new ATOM 48 N LEU A 4 1.999 5.171 -5.639 1.00 41.01 N ATOM 49 CA LEU A 4 2.683 3.934 -5.214 1.00 74.21 C ATOM 50 C LEU A 4 1.955 2.704 -5.793 1.00 35.23 C ATOM 51 O LEU A 4 0.765 2.522 -5.546 1.00 52.32 O ATOM 52 CB LEU A 4 2.678 3.851 -3.656 1.00 14.23 C ATOM 53 CG LEU A 4 3.337 5.037 -2.882 1.00 65.15 C ATOM 54 CD1 LEU A 4 3.126 4.892 -1.355 1.00 70.14 C ATOM 55 CD2 LEU A 4 4.836 5.162 -3.231 1.00 62.12 C ATOM 0 H LEU A 4 1.061 5.257 -5.247 1.00 41.01 H new ATOM 0 HA LEU A 4 3.709 3.948 -5.581 1.00 74.21 H new ATOM 0 HB2 LEU A 4 1.643 3.763 -3.324 1.00 14.23 H new ATOM 0 HB3 LEU A 4 3.186 2.932 -3.364 1.00 14.23 H new ATOM 0 HG LEU A 4 2.845 5.957 -3.198 1.00 65.15 H new ATOM 0 HD11 LEU A 4 3.595 5.731 -0.842 1.00 70.14 H new ATOM 0 HD12 LEU A 4 2.059 4.882 -1.134 1.00 70.14 H new ATOM 0 HD13 LEU A 4 3.576 3.960 -1.012 1.00 70.14 H new ATOM 0 HD21 LEU A 4 5.270 5.995 -2.678 1.00 62.12 H new ATOM 0 HD22 LEU A 4 5.351 4.240 -2.961 1.00 62.12 H new ATOM 0 HD23 LEU A 4 4.947 5.339 -4.301 1.00 62.12 H new ATOM 67 N LYS A 5 2.660 1.883 -6.593 1.00 32.35 N ATOM 68 CA LYS A 5 2.158 0.562 -7.047 1.00 60.14 C ATOM 69 C LYS A 5 2.951 -0.513 -6.304 1.00 63.43 C ATOM 70 O LYS A 5 4.169 -0.622 -6.495 1.00 70.35 O ATOM 71 CB LYS A 5 2.302 0.352 -8.591 1.00 21.01 C ATOM 72 CG LYS A 5 1.383 1.221 -9.495 1.00 54.15 C ATOM 73 CD LYS A 5 1.702 2.732 -9.436 1.00 3.13 C ATOM 74 CE LYS A 5 3.164 3.055 -9.806 1.00 74.11 C ATOM 75 NZ LYS A 5 3.501 4.475 -9.542 1.00 4.33 N ATOM 0 H LYS A 5 3.590 2.110 -6.945 1.00 32.35 H new ATOM 0 HA LYS A 5 1.092 0.503 -6.828 1.00 60.14 H new ATOM 0 HB2 LYS A 5 3.338 0.549 -8.867 1.00 21.01 H new ATOM 0 HB3 LYS A 5 2.106 -0.697 -8.813 1.00 21.01 H new ATOM 0 HG2 LYS A 5 1.475 0.879 -10.526 1.00 54.15 H new ATOM 0 HG3 LYS A 5 0.346 1.066 -9.199 1.00 54.15 H new ATOM 0 HD2 LYS A 5 1.035 3.265 -10.114 1.00 3.13 H new ATOM 0 HD3 LYS A 5 1.497 3.102 -8.431 1.00 3.13 H new ATOM 0 HE2 LYS A 5 3.833 2.411 -9.236 1.00 74.11 H new ATOM 0 HE3 LYS A 5 3.329 2.833 -10.860 1.00 74.11 H new ATOM 0 HZ1 LYS A 5 4.298 4.761 -10.146 1.00 4.33 H new ATOM 0 HZ2 LYS A 5 2.676 5.072 -9.752 1.00 4.33 H new ATOM 0 HZ3 LYS A 5 3.765 4.589 -8.543 1.00 4.33 H new ATOM 89 N ILE A 6 2.268 -1.278 -5.449 1.00 30.43 N ATOM 90 CA ILE A 6 2.880 -2.363 -4.673 1.00 12.20 C ATOM 91 C ILE A 6 2.443 -3.690 -5.297 1.00 70.23 C ATOM 92 O ILE A 6 1.256 -3.977 -5.301 1.00 13.34 O ATOM 93 CB ILE A 6 2.457 -2.379 -3.145 1.00 71.24 C ATOM 94 CG1 ILE A 6 2.828 -1.048 -2.388 1.00 22.12 C ATOM 95 CG2 ILE A 6 3.096 -3.609 -2.440 1.00 1.13 C ATOM 96 CD1 ILE A 6 1.942 0.159 -2.674 1.00 71.30 C ATOM 0 H ILE A 6 1.270 -1.163 -5.274 1.00 30.43 H new ATOM 0 HA ILE A 6 3.959 -2.209 -4.703 1.00 12.20 H new ATOM 0 HB ILE A 6 1.370 -2.455 -3.109 1.00 71.24 H new ATOM 0 HG12 ILE A 6 2.803 -1.245 -1.316 1.00 22.12 H new ATOM 0 HG13 ILE A 6 3.856 -0.786 -2.640 1.00 22.12 H new ATOM 0 HG21 ILE A 6 2.804 -3.619 -1.390 1.00 1.13 H new ATOM 0 HG22 ILE A 6 2.751 -4.524 -2.921 1.00 1.13 H new ATOM 0 HG23 ILE A 6 4.182 -3.548 -2.514 1.00 1.13 H new ATOM 0 HD11 ILE A 6 2.294 1.014 -2.097 1.00 71.30 H new ATOM 0 HD12 ILE A 6 1.983 0.397 -3.737 1.00 71.30 H new ATOM 0 HD13 ILE A 6 0.914 -0.070 -2.393 1.00 71.30 H new ATOM 108 N ASP A 7 3.384 -4.502 -5.790 1.00 73.22 N ATOM 109 CA ASP A 7 3.052 -5.842 -6.305 1.00 30.21 C ATOM 110 C ASP A 7 2.569 -6.733 -5.139 1.00 72.35 C ATOM 111 O ASP A 7 3.239 -6.797 -4.096 1.00 70.21 O ATOM 112 CB ASP A 7 4.273 -6.488 -6.996 1.00 21.01 C ATOM 113 CG ASP A 7 3.917 -7.836 -7.649 1.00 1.43 C ATOM 114 OD1 ASP A 7 3.405 -7.836 -8.784 1.00 42.34 O ATOM 115 OD2 ASP A 7 4.108 -8.901 -7.013 1.00 63.23 O ATOM 0 H ASP A 7 4.374 -4.261 -5.845 1.00 73.22 H new ATOM 0 HA ASP A 7 2.259 -5.745 -7.046 1.00 30.21 H new ATOM 0 HB2 ASP A 7 4.662 -5.809 -7.755 1.00 21.01 H new ATOM 0 HB3 ASP A 7 5.067 -6.638 -6.264 1.00 21.01 H new ATOM 120 N VAL A 8 1.411 -7.405 -5.320 1.00 42.23 N ATOM 121 CA VAL A 8 0.815 -8.309 -4.307 1.00 63.52 C ATOM 122 C VAL A 8 0.623 -9.711 -4.912 1.00 31.13 C ATOM 123 O VAL A 8 0.182 -9.848 -6.060 1.00 11.32 O ATOM 124 CB VAL A 8 -0.556 -7.769 -3.725 1.00 34.13 C ATOM 125 CG1 VAL A 8 -0.335 -6.483 -2.894 1.00 74.30 C ATOM 126 CG2 VAL A 8 -1.604 -7.536 -4.838 1.00 40.21 C ATOM 0 H VAL A 8 0.860 -7.337 -6.176 1.00 42.23 H new ATOM 0 HA VAL A 8 1.510 -8.356 -3.469 1.00 63.52 H new ATOM 0 HB VAL A 8 -0.953 -8.539 -3.064 1.00 34.13 H new ATOM 0 HG11 VAL A 8 -1.291 -6.132 -2.505 1.00 74.30 H new ATOM 0 HG12 VAL A 8 0.338 -6.698 -2.063 1.00 74.30 H new ATOM 0 HG13 VAL A 8 0.104 -5.712 -3.527 1.00 74.30 H new ATOM 0 HG21 VAL A 8 -2.529 -7.166 -4.395 1.00 40.21 H new ATOM 0 HG22 VAL A 8 -1.223 -6.803 -5.549 1.00 40.21 H new ATOM 0 HG23 VAL A 8 -1.800 -8.475 -5.356 1.00 40.21 H new ATOM 136 N SER A 9 0.975 -10.733 -4.122 1.00 72.50 N ATOM 137 CA SER A 9 0.930 -12.151 -4.523 1.00 70.05 C ATOM 138 C SER A 9 -0.524 -12.647 -4.629 1.00 23.22 C ATOM 139 O SER A 9 -0.880 -13.404 -5.538 1.00 23.11 O ATOM 140 CB SER A 9 1.695 -13.008 -3.474 1.00 13.14 C ATOM 141 OG SER A 9 2.816 -12.310 -2.947 1.00 42.23 O ATOM 0 H SER A 9 1.306 -10.598 -3.167 1.00 72.50 H new ATOM 0 HA SER A 9 1.400 -12.250 -5.501 1.00 70.05 H new ATOM 0 HB2 SER A 9 1.020 -13.279 -2.662 1.00 13.14 H new ATOM 0 HB3 SER A 9 2.028 -13.938 -3.936 1.00 13.14 H new ATOM 0 HG SER A 9 3.274 -12.875 -2.290 1.00 42.23 H new ATOM 147 N ASP A 10 -1.352 -12.175 -3.682 1.00 62.14 N ATOM 148 CA ASP A 10 -2.701 -12.718 -3.439 1.00 3.32 C ATOM 149 C ASP A 10 -3.708 -11.566 -3.214 1.00 23.03 C ATOM 150 O ASP A 10 -3.305 -10.401 -3.052 1.00 4.15 O ATOM 151 CB ASP A 10 -2.621 -13.678 -2.209 1.00 60.32 C ATOM 152 CG ASP A 10 -3.905 -14.478 -1.956 1.00 62.15 C ATOM 153 OD1 ASP A 10 -4.162 -15.446 -2.695 1.00 55.51 O ATOM 154 OD2 ASP A 10 -4.694 -14.100 -1.060 1.00 51.34 O ATOM 0 H ASP A 10 -1.105 -11.404 -3.061 1.00 62.14 H new ATOM 0 HA ASP A 10 -3.056 -13.279 -4.303 1.00 3.32 H new ATOM 0 HB2 ASP A 10 -1.795 -14.374 -2.358 1.00 60.32 H new ATOM 0 HB3 ASP A 10 -2.389 -13.093 -1.319 1.00 60.32 H new ATOM 159 N ASP A 11 -5.009 -11.909 -3.173 1.00 44.53 N ATOM 160 CA ASP A 11 -6.111 -10.940 -3.072 1.00 51.51 C ATOM 161 C ASP A 11 -6.393 -10.586 -1.605 1.00 74.14 C ATOM 162 O ASP A 11 -6.647 -9.425 -1.291 1.00 3.34 O ATOM 163 CB ASP A 11 -7.386 -11.483 -3.758 1.00 32.12 C ATOM 164 CG ASP A 11 -7.273 -11.493 -5.286 1.00 42.12 C ATOM 165 OD1 ASP A 11 -7.578 -10.455 -5.923 1.00 52.10 O ATOM 166 OD2 ASP A 11 -6.862 -12.521 -5.862 1.00 24.14 O ATOM 0 H ASP A 11 -5.326 -12.878 -3.210 1.00 44.53 H new ATOM 0 HA ASP A 11 -5.808 -10.030 -3.590 1.00 51.51 H new ATOM 0 HB2 ASP A 11 -7.581 -12.496 -3.405 1.00 32.12 H new ATOM 0 HB3 ASP A 11 -8.240 -10.873 -3.464 1.00 32.12 H new ATOM 171 N GLU A 12 -6.349 -11.599 -0.716 1.00 22.35 N ATOM 172 CA GLU A 12 -6.533 -11.397 0.733 1.00 52.14 C ATOM 173 C GLU A 12 -5.356 -10.589 1.275 1.00 43.22 C ATOM 174 O GLU A 12 -5.553 -9.625 2.003 1.00 51.40 O ATOM 175 CB GLU A 12 -6.624 -12.745 1.479 1.00 45.44 C ATOM 176 CG GLU A 12 -6.816 -12.630 3.012 1.00 10.21 C ATOM 177 CD GLU A 12 -6.779 -13.987 3.730 1.00 12.32 C ATOM 178 OE1 GLU A 12 -7.568 -14.883 3.357 1.00 53.13 O ATOM 179 OE2 GLU A 12 -5.953 -14.180 4.652 1.00 51.25 O ATOM 0 H GLU A 12 -6.186 -12.571 -0.980 1.00 22.35 H new ATOM 0 HA GLU A 12 -7.467 -10.859 0.894 1.00 52.14 H new ATOM 0 HB2 GLU A 12 -7.454 -13.317 1.065 1.00 45.44 H new ATOM 0 HB3 GLU A 12 -5.715 -13.314 1.283 1.00 45.44 H new ATOM 0 HG2 GLU A 12 -6.036 -11.988 3.422 1.00 10.21 H new ATOM 0 HG3 GLU A 12 -7.770 -12.144 3.217 1.00 10.21 H new ATOM 186 N GLU A 13 -4.130 -11.011 0.882 1.00 55.02 N ATOM 187 CA GLU A 13 -2.870 -10.321 1.227 1.00 51.34 C ATOM 188 C GLU A 13 -2.905 -8.846 0.776 1.00 63.12 C ATOM 189 O GLU A 13 -2.400 -7.966 1.472 1.00 32.12 O ATOM 190 CB GLU A 13 -1.670 -11.048 0.574 1.00 11.34 C ATOM 191 CG GLU A 13 -0.286 -10.444 0.917 1.00 33.11 C ATOM 192 CD GLU A 13 0.839 -10.964 0.016 1.00 42.11 C ATOM 193 OE1 GLU A 13 0.746 -10.761 -1.209 1.00 73.14 O ATOM 194 OE2 GLU A 13 1.818 -11.562 0.512 1.00 32.32 O ATOM 0 H GLU A 13 -3.990 -11.846 0.313 1.00 55.02 H new ATOM 0 HA GLU A 13 -2.756 -10.343 2.311 1.00 51.34 H new ATOM 0 HB2 GLU A 13 -1.683 -12.093 0.884 1.00 11.34 H new ATOM 0 HB3 GLU A 13 -1.799 -11.035 -0.508 1.00 11.34 H new ATOM 0 HG2 GLU A 13 -0.339 -9.359 0.831 1.00 33.11 H new ATOM 0 HG3 GLU A 13 -0.045 -10.671 1.956 1.00 33.11 H new ATOM 201 N ALA A 14 -3.521 -8.606 -0.393 1.00 43.44 N ATOM 202 CA ALA A 14 -3.742 -7.250 -0.921 1.00 75.24 C ATOM 203 C ALA A 14 -4.650 -6.434 0.027 1.00 1.32 C ATOM 204 O ALA A 14 -4.347 -5.288 0.352 1.00 22.43 O ATOM 205 CB ALA A 14 -4.360 -7.324 -2.324 1.00 4.31 C ATOM 0 H ALA A 14 -3.879 -9.345 -0.998 1.00 43.44 H new ATOM 0 HA ALA A 14 -2.779 -6.744 -0.987 1.00 75.24 H new ATOM 0 HB1 ALA A 14 -4.519 -6.315 -2.705 1.00 4.31 H new ATOM 0 HB2 ALA A 14 -3.686 -7.862 -2.991 1.00 4.31 H new ATOM 0 HB3 ALA A 14 -5.315 -7.848 -2.274 1.00 4.31 H new ATOM 211 N GLU A 15 -5.757 -7.063 0.472 1.00 32.14 N ATOM 212 CA GLU A 15 -6.761 -6.429 1.364 1.00 73.43 C ATOM 213 C GLU A 15 -6.215 -6.247 2.792 1.00 4.11 C ATOM 214 O GLU A 15 -6.683 -5.377 3.533 1.00 2.21 O ATOM 215 CB GLU A 15 -8.059 -7.268 1.368 1.00 2.02 C ATOM 216 CG GLU A 15 -8.726 -7.362 -0.016 1.00 62.20 C ATOM 217 CD GLU A 15 -9.941 -8.292 -0.024 1.00 23.34 C ATOM 218 OE1 GLU A 15 -9.750 -9.518 -0.066 1.00 44.40 O ATOM 219 OE2 GLU A 15 -11.095 -7.806 0.020 1.00 14.43 O ATOM 0 H GLU A 15 -5.984 -8.026 0.225 1.00 32.14 H new ATOM 0 HA GLU A 15 -6.984 -5.434 0.979 1.00 73.43 H new ATOM 0 HB2 GLU A 15 -7.833 -8.273 1.724 1.00 2.02 H new ATOM 0 HB3 GLU A 15 -8.764 -6.831 2.075 1.00 2.02 H new ATOM 0 HG2 GLU A 15 -9.034 -6.366 -0.335 1.00 62.20 H new ATOM 0 HG3 GLU A 15 -7.996 -7.718 -0.743 1.00 62.20 H new ATOM 226 N LYS A 16 -5.217 -7.078 3.155 1.00 70.33 N ATOM 227 CA LYS A 16 -4.451 -6.935 4.403 1.00 75.43 C ATOM 228 C LYS A 16 -3.738 -5.581 4.396 1.00 41.32 C ATOM 229 O LYS A 16 -3.799 -4.838 5.373 1.00 31.22 O ATOM 230 CB LYS A 16 -3.411 -8.080 4.544 1.00 61.31 C ATOM 231 CG LYS A 16 -3.999 -9.493 4.772 1.00 33.03 C ATOM 232 CD LYS A 16 -4.625 -9.665 6.169 1.00 51.44 C ATOM 233 CE LYS A 16 -3.588 -9.562 7.300 1.00 21.33 C ATOM 234 NZ LYS A 16 -4.230 -9.594 8.632 1.00 34.50 N ATOM 0 H LYS A 16 -4.921 -7.870 2.585 1.00 70.33 H new ATOM 0 HA LYS A 16 -5.135 -6.991 5.250 1.00 75.43 H new ATOM 0 HB2 LYS A 16 -2.798 -8.102 3.643 1.00 61.31 H new ATOM 0 HB3 LYS A 16 -2.747 -7.844 5.376 1.00 61.31 H new ATOM 0 HG2 LYS A 16 -4.756 -9.692 4.013 1.00 33.03 H new ATOM 0 HG3 LYS A 16 -3.211 -10.234 4.639 1.00 33.03 H new ATOM 0 HD2 LYS A 16 -5.393 -8.905 6.315 1.00 51.44 H new ATOM 0 HD3 LYS A 16 -5.121 -10.634 6.224 1.00 51.44 H new ATOM 0 HE2 LYS A 16 -2.877 -10.384 7.218 1.00 21.33 H new ATOM 0 HE3 LYS A 16 -3.021 -8.638 7.191 1.00 21.33 H new ATOM 0 HZ1 LYS A 16 -3.501 -9.522 9.370 1.00 34.50 H new ATOM 0 HZ2 LYS A 16 -4.890 -8.795 8.718 1.00 34.50 H new ATOM 0 HZ3 LYS A 16 -4.751 -10.487 8.745 1.00 34.50 H new ATOM 248 N ILE A 17 -3.107 -5.280 3.241 1.00 53.34 N ATOM 249 CA ILE A 17 -2.381 -4.023 3.006 1.00 63.53 C ATOM 250 C ILE A 17 -3.341 -2.821 3.052 1.00 25.04 C ATOM 251 O ILE A 17 -3.035 -1.806 3.679 1.00 33.41 O ATOM 252 CB ILE A 17 -1.631 -4.055 1.623 1.00 62.24 C ATOM 253 CG1 ILE A 17 -0.671 -5.286 1.534 1.00 42.20 C ATOM 254 CG2 ILE A 17 -0.883 -2.734 1.341 1.00 41.13 C ATOM 255 CD1 ILE A 17 0.262 -5.468 2.719 1.00 31.13 C ATOM 0 H ILE A 17 -3.090 -5.912 2.441 1.00 53.34 H new ATOM 0 HA ILE A 17 -1.642 -3.915 3.800 1.00 63.53 H new ATOM 0 HB ILE A 17 -2.387 -4.163 0.845 1.00 62.24 H new ATOM 0 HG12 ILE A 17 -1.273 -6.188 1.424 1.00 42.20 H new ATOM 0 HG13 ILE A 17 -0.069 -5.192 0.630 1.00 42.20 H new ATOM 0 HG21 ILE A 17 -0.379 -2.800 0.377 1.00 41.13 H new ATOM 0 HG22 ILE A 17 -1.595 -1.909 1.323 1.00 41.13 H new ATOM 0 HG23 ILE A 17 -0.145 -2.559 2.124 1.00 41.13 H new ATOM 0 HD11 ILE A 17 0.885 -6.348 2.560 1.00 31.13 H new ATOM 0 HD12 ILE A 17 0.897 -4.588 2.821 1.00 31.13 H new ATOM 0 HD13 ILE A 17 -0.325 -5.599 3.628 1.00 31.13 H new ATOM 267 N ILE A 18 -4.516 -2.975 2.395 1.00 33.04 N ATOM 268 CA ILE A 18 -5.570 -1.940 2.371 1.00 11.20 C ATOM 269 C ILE A 18 -6.011 -1.612 3.815 1.00 34.44 C ATOM 270 O ILE A 18 -6.189 -0.444 4.161 1.00 44.41 O ATOM 271 CB ILE A 18 -6.817 -2.383 1.502 1.00 3.52 C ATOM 272 CG1 ILE A 18 -6.384 -2.716 0.039 1.00 44.11 C ATOM 273 CG2 ILE A 18 -7.937 -1.304 1.514 1.00 50.34 C ATOM 274 CD1 ILE A 18 -7.491 -3.253 -0.863 1.00 60.02 C ATOM 0 H ILE A 18 -4.756 -3.816 1.871 1.00 33.04 H new ATOM 0 HA ILE A 18 -5.152 -1.048 1.904 1.00 11.20 H new ATOM 0 HB ILE A 18 -7.227 -3.286 1.954 1.00 3.52 H new ATOM 0 HG12 ILE A 18 -5.974 -1.814 -0.415 1.00 44.11 H new ATOM 0 HG13 ILE A 18 -5.579 -3.450 0.074 1.00 44.11 H new ATOM 0 HG21 ILE A 18 -8.776 -1.644 0.907 1.00 50.34 H new ATOM 0 HG22 ILE A 18 -8.273 -1.140 2.538 1.00 50.34 H new ATOM 0 HG23 ILE A 18 -7.548 -0.371 1.106 1.00 50.34 H new ATOM 0 HD11 ILE A 18 -7.087 -3.452 -1.856 1.00 60.02 H new ATOM 0 HD12 ILE A 18 -7.889 -4.176 -0.441 1.00 60.02 H new ATOM 0 HD13 ILE A 18 -8.290 -2.515 -0.938 1.00 60.02 H new ATOM 286 N ARG A 19 -6.112 -2.658 4.663 1.00 11.31 N ATOM 287 CA ARG A 19 -6.517 -2.502 6.067 1.00 65.13 C ATOM 288 C ARG A 19 -5.439 -1.741 6.871 1.00 31.31 C ATOM 289 O ARG A 19 -5.776 -0.821 7.621 1.00 5.34 O ATOM 290 CB ARG A 19 -6.845 -3.871 6.729 1.00 25.13 C ATOM 291 CG ARG A 19 -7.378 -3.728 8.171 1.00 52.15 C ATOM 292 CD ARG A 19 -7.758 -5.046 8.858 1.00 2.52 C ATOM 293 NE ARG A 19 -8.181 -4.788 10.250 1.00 54.22 N ATOM 294 CZ ARG A 19 -8.978 -5.569 10.997 1.00 73.22 C ATOM 295 NH1 ARG A 19 -9.489 -6.700 10.518 1.00 11.43 N ATOM 296 NH2 ARG A 19 -9.290 -5.188 12.223 1.00 33.30 N ATOM 0 H ARG A 19 -5.916 -3.622 4.393 1.00 11.31 H new ATOM 0 HA ARG A 19 -7.432 -1.910 6.078 1.00 65.13 H new ATOM 0 HB2 ARG A 19 -7.585 -4.394 6.123 1.00 25.13 H new ATOM 0 HB3 ARG A 19 -5.947 -4.489 6.738 1.00 25.13 H new ATOM 0 HG2 ARG A 19 -6.620 -3.227 8.774 1.00 52.15 H new ATOM 0 HG3 ARG A 19 -8.253 -3.079 8.156 1.00 52.15 H new ATOM 0 HD2 ARG A 19 -8.564 -5.532 8.309 1.00 2.52 H new ATOM 0 HD3 ARG A 19 -6.908 -5.729 8.848 1.00 2.52 H new ATOM 0 HE ARG A 19 -7.834 -3.934 10.686 1.00 54.22 H new ATOM 0 HH11 ARG A 19 -9.278 -6.991 9.563 1.00 11.43 H new ATOM 0 HH12 ARG A 19 -10.092 -7.276 11.105 1.00 11.43 H new ATOM 0 HH21 ARG A 19 -8.926 -4.309 12.592 1.00 33.30 H new ATOM 0 HH22 ARG A 19 -9.895 -5.772 12.800 1.00 33.30 H new ATOM 310 N GLU A 20 -4.146 -2.108 6.668 1.00 52.14 N ATOM 311 CA GLU A 20 -3.008 -1.458 7.361 1.00 72.22 C ATOM 312 C GLU A 20 -2.992 0.052 7.093 1.00 42.01 C ATOM 313 O GLU A 20 -2.921 0.870 8.022 1.00 35.31 O ATOM 314 CB GLU A 20 -1.641 -2.055 6.907 1.00 32.42 C ATOM 315 CG GLU A 20 -1.469 -3.564 7.127 1.00 42.52 C ATOM 316 CD GLU A 20 -1.690 -4.010 8.585 1.00 44.24 C ATOM 317 OE1 GLU A 20 -0.792 -3.803 9.426 1.00 2.43 O ATOM 318 OE2 GLU A 20 -2.761 -4.568 8.903 1.00 51.32 O ATOM 0 H GLU A 20 -3.868 -2.852 6.028 1.00 52.14 H new ATOM 0 HA GLU A 20 -3.144 -1.644 8.426 1.00 72.22 H new ATOM 0 HB2 GLU A 20 -1.507 -1.843 5.846 1.00 32.42 H new ATOM 0 HB3 GLU A 20 -0.844 -1.536 7.439 1.00 32.42 H new ATOM 0 HG2 GLU A 20 -2.169 -4.097 6.484 1.00 42.52 H new ATOM 0 HG3 GLU A 20 -0.466 -3.855 6.816 1.00 42.52 H new ATOM 325 N ILE A 21 -3.080 0.387 5.798 1.00 65.24 N ATOM 326 CA ILE A 21 -3.007 1.759 5.321 1.00 10.31 C ATOM 327 C ILE A 21 -4.197 2.583 5.840 1.00 1.25 C ATOM 328 O ILE A 21 -4.008 3.694 6.297 1.00 71.12 O ATOM 329 CB ILE A 21 -2.944 1.820 3.751 1.00 15.23 C ATOM 330 CG1 ILE A 21 -1.695 1.046 3.206 1.00 24.30 C ATOM 331 CG2 ILE A 21 -2.952 3.282 3.241 1.00 60.14 C ATOM 332 CD1 ILE A 21 -0.348 1.540 3.714 1.00 63.53 C ATOM 0 H ILE A 21 -3.205 -0.298 5.053 1.00 65.24 H new ATOM 0 HA ILE A 21 -2.086 2.192 5.712 1.00 10.31 H new ATOM 0 HB ILE A 21 -3.839 1.330 3.368 1.00 15.23 H new ATOM 0 HG12 ILE A 21 -1.799 -0.007 3.467 1.00 24.30 H new ATOM 0 HG13 ILE A 21 -1.698 1.106 2.118 1.00 24.30 H new ATOM 0 HG21 ILE A 21 -2.908 3.288 2.152 1.00 60.14 H new ATOM 0 HG22 ILE A 21 -3.866 3.777 3.569 1.00 60.14 H new ATOM 0 HG23 ILE A 21 -2.088 3.812 3.642 1.00 60.14 H new ATOM 0 HD11 ILE A 21 0.449 0.938 3.277 1.00 63.53 H new ATOM 0 HD12 ILE A 21 -0.212 2.583 3.429 1.00 63.53 H new ATOM 0 HD13 ILE A 21 -0.315 1.453 4.800 1.00 63.53 H new ATOM 344 N ARG A 22 -5.415 2.016 5.794 1.00 10.21 N ATOM 345 CA ARG A 22 -6.641 2.761 6.151 1.00 3.54 C ATOM 346 C ARG A 22 -6.883 2.840 7.673 1.00 52.12 C ATOM 347 O ARG A 22 -7.724 3.620 8.115 1.00 15.44 O ATOM 348 CB ARG A 22 -7.879 2.221 5.401 1.00 20.52 C ATOM 349 CG ARG A 22 -7.743 2.285 3.854 1.00 52.34 C ATOM 350 CD ARG A 22 -9.094 2.279 3.124 1.00 42.11 C ATOM 351 NE ARG A 22 -9.812 3.558 3.314 1.00 53.40 N ATOM 352 CZ ARG A 22 -11.142 3.713 3.340 1.00 11.23 C ATOM 353 NH1 ARG A 22 -11.962 2.674 3.190 1.00 71.42 N ATOM 354 NH2 ARG A 22 -11.649 4.925 3.489 1.00 75.31 N ATOM 0 H ARG A 22 -5.579 1.049 5.515 1.00 10.21 H new ATOM 0 HA ARG A 22 -6.476 3.786 5.820 1.00 3.54 H new ATOM 0 HB2 ARG A 22 -8.053 1.187 5.700 1.00 20.52 H new ATOM 0 HB3 ARG A 22 -8.756 2.793 5.705 1.00 20.52 H new ATOM 0 HG2 ARG A 22 -7.195 3.187 3.582 1.00 52.34 H new ATOM 0 HG3 ARG A 22 -7.150 1.436 3.513 1.00 52.34 H new ATOM 0 HD2 ARG A 22 -8.934 2.103 2.060 1.00 42.11 H new ATOM 0 HD3 ARG A 22 -9.706 1.457 3.494 1.00 42.11 H new ATOM 0 HE ARG A 22 -9.244 4.396 3.436 1.00 53.40 H new ATOM 0 HH11 ARG A 22 -11.580 1.738 3.052 1.00 71.42 H new ATOM 0 HH12 ARG A 22 -12.972 2.814 3.213 1.00 71.42 H new ATOM 0 HH21 ARG A 22 -11.029 5.729 3.583 1.00 75.31 H new ATOM 0 HH22 ARG A 22 -12.660 5.056 3.510 1.00 75.31 H new ATOM 368 N GLU A 23 -6.173 2.024 8.475 1.00 11.31 N ATOM 369 CA GLU A 23 -6.201 2.159 9.953 1.00 13.52 C ATOM 370 C GLU A 23 -5.451 3.435 10.392 1.00 32.03 C ATOM 371 O GLU A 23 -5.914 4.167 11.273 1.00 43.31 O ATOM 372 CB GLU A 23 -5.608 0.906 10.652 1.00 23.15 C ATOM 373 CG GLU A 23 -6.563 -0.305 10.702 1.00 15.10 C ATOM 374 CD GLU A 23 -6.002 -1.505 11.482 1.00 54.25 C ATOM 375 OE1 GLU A 23 -5.521 -1.314 12.621 1.00 41.41 O ATOM 376 OE2 GLU A 23 -6.074 -2.649 10.990 1.00 62.30 O ATOM 0 H GLU A 23 -5.577 1.270 8.134 1.00 11.31 H new ATOM 0 HA GLU A 23 -7.243 2.243 10.260 1.00 13.52 H new ATOM 0 HB2 GLU A 23 -4.695 0.613 10.133 1.00 23.15 H new ATOM 0 HB3 GLU A 23 -5.324 1.172 11.670 1.00 23.15 H new ATOM 0 HG2 GLU A 23 -7.504 0.005 11.157 1.00 15.10 H new ATOM 0 HG3 GLU A 23 -6.790 -0.619 9.683 1.00 15.10 H new ATOM 383 N GLN A 24 -4.302 3.692 9.753 1.00 12.52 N ATOM 384 CA GLN A 24 -3.432 4.840 10.089 1.00 61.51 C ATOM 385 C GLN A 24 -3.839 6.079 9.257 1.00 55.54 C ATOM 386 O GLN A 24 -3.753 7.218 9.725 1.00 4.54 O ATOM 387 CB GLN A 24 -1.947 4.469 9.836 1.00 52.01 C ATOM 388 CG GLN A 24 -1.518 3.131 10.470 1.00 22.10 C ATOM 389 CD GLN A 24 -0.042 2.804 10.254 1.00 63.25 C ATOM 390 OE1 GLN A 24 0.336 2.197 9.252 1.00 45.03 O ATOM 391 NE2 GLN A 24 0.802 3.191 11.196 1.00 22.32 N ATOM 0 H GLN A 24 -3.945 3.116 8.991 1.00 12.52 H new ATOM 0 HA GLN A 24 -3.552 5.084 11.145 1.00 61.51 H new ATOM 0 HB2 GLN A 24 -1.773 4.422 8.761 1.00 52.01 H new ATOM 0 HB3 GLN A 24 -1.313 5.264 10.227 1.00 52.01 H new ATOM 0 HG2 GLN A 24 -1.723 3.162 11.540 1.00 22.10 H new ATOM 0 HG3 GLN A 24 -2.125 2.328 10.052 1.00 22.10 H new ATOM 0 HE21 GLN A 24 0.458 3.692 12.015 1.00 22.32 H new ATOM 0 HE22 GLN A 24 1.797 2.988 11.104 1.00 22.32 H new ATOM 400 N TRP A 25 -4.299 5.810 8.027 1.00 50.31 N ATOM 401 CA TRP A 25 -4.728 6.841 7.040 1.00 2.32 C ATOM 402 C TRP A 25 -6.100 6.450 6.419 1.00 71.43 C ATOM 403 O TRP A 25 -6.143 5.920 5.297 1.00 22.42 O ATOM 404 CB TRP A 25 -3.671 6.995 5.904 1.00 25.33 C ATOM 405 CG TRP A 25 -2.255 7.276 6.345 1.00 23.43 C ATOM 406 CD1 TRP A 25 -1.713 8.487 6.661 1.00 5.01 C ATOM 407 CD2 TRP A 25 -1.191 6.318 6.481 1.00 42.51 C ATOM 408 NE1 TRP A 25 -0.401 8.333 7.017 1.00 63.33 N ATOM 409 CE2 TRP A 25 -0.057 7.017 6.917 1.00 54.32 C ATOM 410 CE3 TRP A 25 -1.098 4.933 6.297 1.00 60.32 C ATOM 411 CZ2 TRP A 25 1.155 6.390 7.167 1.00 41.34 C ATOM 412 CZ3 TRP A 25 0.106 4.307 6.539 1.00 74.11 C ATOM 413 CH2 TRP A 25 1.216 5.035 6.978 1.00 13.11 C ATOM 0 H TRP A 25 -4.389 4.858 7.673 1.00 50.31 H new ATOM 0 HA TRP A 25 -4.823 7.792 7.564 1.00 2.32 H new ATOM 0 HB2 TRP A 25 -3.670 6.081 5.311 1.00 25.33 H new ATOM 0 HB3 TRP A 25 -3.991 7.802 5.245 1.00 25.33 H new ATOM 0 HD1 TRP A 25 -2.241 9.428 6.634 1.00 5.01 H new ATOM 0 HE1 TRP A 25 0.222 9.085 7.311 1.00 63.33 H new ATOM 0 HE3 TRP A 25 -1.956 4.364 5.971 1.00 60.32 H new ATOM 0 HZ2 TRP A 25 2.018 6.949 7.498 1.00 41.34 H new ATOM 0 HZ3 TRP A 25 0.193 3.241 6.388 1.00 74.11 H new ATOM 0 HH2 TRP A 25 2.143 4.517 7.173 1.00 13.11 H new ATOM 424 N PRO A 26 -7.251 6.659 7.145 1.00 62.01 N ATOM 425 CA PRO A 26 -8.612 6.401 6.590 1.00 64.10 C ATOM 426 C PRO A 26 -8.966 7.305 5.388 1.00 4.35 C ATOM 427 O PRO A 26 -9.817 6.952 4.568 1.00 14.02 O ATOM 428 CB PRO A 26 -9.562 6.675 7.790 1.00 42.35 C ATOM 429 CG PRO A 26 -8.687 6.626 9.009 1.00 32.31 C ATOM 430 CD PRO A 26 -7.321 7.106 8.560 1.00 11.21 C ATOM 0 HA PRO A 26 -8.690 5.389 6.194 1.00 64.10 H new ATOM 0 HB2 PRO A 26 -10.047 7.646 7.693 1.00 42.35 H new ATOM 0 HB3 PRO A 26 -10.353 5.927 7.844 1.00 42.35 H new ATOM 0 HG2 PRO A 26 -9.084 7.262 9.800 1.00 32.31 H new ATOM 0 HG3 PRO A 26 -8.633 5.614 9.410 1.00 32.31 H new ATOM 0 HD2 PRO A 26 -7.227 8.189 8.645 1.00 11.21 H new ATOM 0 HD3 PRO A 26 -6.523 6.668 9.160 1.00 11.21 H new ATOM 438 N LYS A 27 -8.305 8.471 5.315 1.00 54.14 N ATOM 439 CA LYS A 27 -8.547 9.497 4.280 1.00 23.52 C ATOM 440 C LYS A 27 -7.462 9.455 3.176 1.00 20.01 C ATOM 441 O LYS A 27 -7.228 10.457 2.486 1.00 52.14 O ATOM 442 CB LYS A 27 -8.612 10.898 4.942 1.00 73.23 C ATOM 443 CG LYS A 27 -9.678 11.041 6.061 1.00 4.31 C ATOM 444 CD LYS A 27 -9.820 12.496 6.576 1.00 14.21 C ATOM 445 CE LYS A 27 -8.500 13.068 7.127 1.00 62.53 C ATOM 446 NZ LYS A 27 -8.646 14.478 7.571 1.00 64.42 N ATOM 0 H LYS A 27 -7.578 8.734 5.980 1.00 54.14 H new ATOM 0 HA LYS A 27 -9.502 9.286 3.799 1.00 23.52 H new ATOM 0 HB2 LYS A 27 -7.633 11.132 5.360 1.00 73.23 H new ATOM 0 HB3 LYS A 27 -8.815 11.640 4.170 1.00 73.23 H new ATOM 0 HG2 LYS A 27 -10.642 10.699 5.684 1.00 4.31 H new ATOM 0 HG3 LYS A 27 -9.412 10.390 6.894 1.00 4.31 H new ATOM 0 HD2 LYS A 27 -10.174 13.131 5.764 1.00 14.21 H new ATOM 0 HD3 LYS A 27 -10.578 12.527 7.358 1.00 14.21 H new ATOM 0 HE2 LYS A 27 -8.162 12.458 7.964 1.00 62.53 H new ATOM 0 HE3 LYS A 27 -7.730 13.008 6.358 1.00 62.53 H new ATOM 0 HZ1 LYS A 27 -7.735 14.824 7.934 1.00 64.42 H new ATOM 0 HZ2 LYS A 27 -8.943 15.066 6.767 1.00 64.42 H new ATOM 0 HZ3 LYS A 27 -9.362 14.533 8.323 1.00 64.42 H new ATOM 460 N ALA A 28 -6.834 8.280 2.980 1.00 45.02 N ATOM 461 CA ALA A 28 -5.766 8.105 1.969 1.00 3.41 C ATOM 462 C ALA A 28 -6.366 7.257 0.852 1.00 12.20 C ATOM 463 O ALA A 28 -6.762 6.112 1.125 1.00 5.40 O ATOM 464 CB ALA A 28 -4.525 7.423 2.560 1.00 64.41 C ATOM 0 H ALA A 28 -7.046 7.434 3.509 1.00 45.02 H new ATOM 0 HA ALA A 28 -5.430 9.074 1.600 1.00 3.41 H new ATOM 0 HB1 ALA A 28 -3.766 7.314 1.785 1.00 64.41 H new ATOM 0 HB2 ALA A 28 -4.128 8.031 3.373 1.00 64.41 H new ATOM 0 HB3 ALA A 28 -4.798 6.439 2.942 1.00 64.41 H new ATOM 470 N THR A 29 -6.493 7.801 -0.377 1.00 65.41 N ATOM 471 CA THR A 29 -7.152 7.089 -1.480 1.00 61.41 C ATOM 472 C THR A 29 -6.382 5.800 -1.848 1.00 50.12 C ATOM 473 O THR A 29 -5.310 5.847 -2.469 1.00 60.50 O ATOM 474 CB THR A 29 -7.308 8.014 -2.741 1.00 20.23 C ATOM 475 OG1 THR A 29 -6.041 8.593 -3.082 1.00 23.42 O ATOM 476 CG2 THR A 29 -8.334 9.140 -2.512 1.00 31.34 C ATOM 0 H THR A 29 -6.147 8.728 -0.625 1.00 65.41 H new ATOM 0 HA THR A 29 -8.148 6.807 -1.140 1.00 61.41 H new ATOM 0 HB THR A 29 -7.670 7.389 -3.557 1.00 20.23 H new ATOM 0 HG1 THR A 29 -6.145 9.167 -3.870 1.00 23.42 H new ATOM 0 HG21 THR A 29 -8.408 9.753 -3.410 1.00 31.34 H new ATOM 0 HG22 THR A 29 -9.308 8.705 -2.289 1.00 31.34 H new ATOM 0 HG23 THR A 29 -8.013 9.760 -1.675 1.00 31.34 H new ATOM 484 N VAL A 30 -6.932 4.657 -1.397 1.00 42.45 N ATOM 485 CA VAL A 30 -6.446 3.321 -1.754 1.00 25.41 C ATOM 486 C VAL A 30 -7.304 2.801 -2.916 1.00 35.42 C ATOM 487 O VAL A 30 -8.519 3.039 -2.954 1.00 55.41 O ATOM 488 CB VAL A 30 -6.521 2.312 -0.544 1.00 33.31 C ATOM 489 CG1 VAL A 30 -5.908 0.935 -0.912 1.00 23.11 C ATOM 490 CG2 VAL A 30 -5.843 2.895 0.717 1.00 45.21 C ATOM 0 H VAL A 30 -7.735 4.641 -0.768 1.00 42.45 H new ATOM 0 HA VAL A 30 -5.396 3.396 -2.038 1.00 25.41 H new ATOM 0 HB VAL A 30 -7.576 2.157 -0.318 1.00 33.31 H new ATOM 0 HG11 VAL A 30 -5.977 0.265 -0.055 1.00 23.11 H new ATOM 0 HG12 VAL A 30 -6.454 0.506 -1.752 1.00 23.11 H new ATOM 0 HG13 VAL A 30 -4.861 1.065 -1.188 1.00 23.11 H new ATOM 0 HG21 VAL A 30 -5.912 2.175 1.533 1.00 45.21 H new ATOM 0 HG22 VAL A 30 -4.794 3.102 0.503 1.00 45.21 H new ATOM 0 HG23 VAL A 30 -6.344 3.819 1.005 1.00 45.21 H new ATOM 500 N THR A 31 -6.663 2.107 -3.852 1.00 2.15 N ATOM 501 CA THR A 31 -7.294 1.571 -5.051 1.00 31.41 C ATOM 502 C THR A 31 -6.815 0.123 -5.224 1.00 3.33 C ATOM 503 O THR A 31 -5.607 -0.137 -5.200 1.00 23.21 O ATOM 504 CB THR A 31 -6.910 2.417 -6.313 1.00 11.01 C ATOM 505 OG1 THR A 31 -7.106 3.822 -6.046 1.00 4.44 O ATOM 506 CG2 THR A 31 -7.727 2.009 -7.552 1.00 43.35 C ATOM 0 H THR A 31 -5.666 1.897 -3.795 1.00 2.15 H new ATOM 0 HA THR A 31 -8.378 1.610 -4.947 1.00 31.41 H new ATOM 0 HB THR A 31 -5.859 2.223 -6.527 1.00 11.01 H new ATOM 0 HG1 THR A 31 -6.862 4.343 -6.839 1.00 4.44 H new ATOM 0 HG21 THR A 31 -7.428 2.621 -8.403 1.00 43.35 H new ATOM 0 HG22 THR A 31 -7.544 0.959 -7.779 1.00 43.35 H new ATOM 0 HG23 THR A 31 -8.788 2.158 -7.353 1.00 43.35 H new ATOM 514 N ARG A 32 -7.754 -0.809 -5.375 1.00 55.13 N ATOM 515 CA ARG A 32 -7.447 -2.227 -5.560 1.00 0.52 C ATOM 516 C ARG A 32 -7.418 -2.532 -7.063 1.00 34.14 C ATOM 517 O ARG A 32 -8.394 -2.270 -7.777 1.00 74.41 O ATOM 518 CB ARG A 32 -8.506 -3.093 -4.840 1.00 32.45 C ATOM 519 CG ARG A 32 -8.274 -4.611 -4.968 1.00 13.33 C ATOM 520 CD ARG A 32 -9.373 -5.436 -4.288 1.00 21.13 C ATOM 521 NE ARG A 32 -9.165 -6.878 -4.475 1.00 75.34 N ATOM 522 CZ ARG A 32 -9.867 -7.840 -3.866 1.00 34.01 C ATOM 523 NH1 ARG A 32 -10.843 -7.543 -3.012 1.00 64.35 N ATOM 524 NH2 ARG A 32 -9.590 -9.105 -4.117 1.00 23.01 N ATOM 0 H ARG A 32 -8.753 -0.602 -5.373 1.00 55.13 H new ATOM 0 HA ARG A 32 -6.473 -2.461 -5.129 1.00 0.52 H new ATOM 0 HB2 ARG A 32 -8.519 -2.827 -3.783 1.00 32.45 H new ATOM 0 HB3 ARG A 32 -9.490 -2.852 -5.242 1.00 32.45 H new ATOM 0 HG2 ARG A 32 -8.224 -4.879 -6.023 1.00 13.33 H new ATOM 0 HG3 ARG A 32 -7.310 -4.866 -4.529 1.00 13.33 H new ATOM 0 HD2 ARG A 32 -9.394 -5.207 -3.223 1.00 21.13 H new ATOM 0 HD3 ARG A 32 -10.344 -5.153 -4.694 1.00 21.13 H new ATOM 0 HE ARG A 32 -8.429 -7.168 -5.119 1.00 75.34 H new ATOM 0 HH11 ARG A 32 -11.067 -6.568 -2.812 1.00 64.35 H new ATOM 0 HH12 ARG A 32 -11.368 -8.290 -2.557 1.00 64.35 H new ATOM 0 HH21 ARG A 32 -8.845 -9.344 -4.771 1.00 23.01 H new ATOM 0 HH22 ARG A 32 -10.121 -9.844 -3.657 1.00 23.01 H new ATOM 538 N THR A 33 -6.285 -3.058 -7.531 1.00 71.23 N ATOM 539 CA THR A 33 -6.051 -3.383 -8.938 1.00 4.42 C ATOM 540 C THR A 33 -5.352 -4.745 -8.963 1.00 23.23 C ATOM 541 O THR A 33 -4.161 -4.783 -8.725 1.00 53.50 O ATOM 542 CB THR A 33 -5.165 -2.287 -9.635 1.00 11.44 C ATOM 543 OG1 THR A 33 -5.765 -0.989 -9.464 1.00 60.23 O ATOM 544 CG2 THR A 33 -4.970 -2.568 -11.135 1.00 33.32 C ATOM 0 H THR A 33 -5.489 -3.274 -6.931 1.00 71.23 H new ATOM 0 HA THR A 33 -6.992 -3.415 -9.487 1.00 4.42 H new ATOM 0 HB THR A 33 -4.184 -2.312 -9.160 1.00 11.44 H new ATOM 0 HG1 THR A 33 -6.108 -0.671 -10.325 1.00 60.23 H new ATOM 0 HG21 THR A 33 -4.352 -1.785 -11.574 1.00 33.32 H new ATOM 0 HG22 THR A 33 -4.479 -3.533 -11.264 1.00 33.32 H new ATOM 0 HG23 THR A 33 -5.940 -2.585 -11.631 1.00 33.32 H new ATOM 552 N ASN A 34 -6.102 -5.838 -9.224 1.00 42.12 N ATOM 553 CA ASN A 34 -5.628 -7.249 -9.058 1.00 61.45 C ATOM 554 C ASN A 34 -4.194 -7.477 -9.607 1.00 42.42 C ATOM 555 O ASN A 34 -3.968 -7.451 -10.825 1.00 4.12 O ATOM 556 CB ASN A 34 -6.639 -8.222 -9.728 1.00 33.52 C ATOM 557 CG ASN A 34 -7.958 -8.354 -8.963 1.00 51.22 C ATOM 558 OD1 ASN A 34 -8.347 -7.471 -8.199 1.00 12.34 O ATOM 559 ND2 ASN A 34 -8.663 -9.448 -9.183 1.00 2.21 N ATOM 0 H ASN A 34 -7.063 -5.776 -9.559 1.00 42.12 H new ATOM 0 HA ASN A 34 -5.577 -7.451 -7.988 1.00 61.45 H new ATOM 0 HB2 ASN A 34 -6.848 -7.876 -10.740 1.00 33.52 H new ATOM 0 HB3 ASN A 34 -6.179 -9.206 -9.817 1.00 33.52 H new ATOM 0 HD21 ASN A 34 -9.559 -9.580 -8.714 1.00 2.21 H new ATOM 0 HD22 ASN A 34 -8.312 -10.161 -9.822 1.00 2.21 H new ATOM 566 N GLY A 35 -3.249 -7.697 -8.667 1.00 63.42 N ATOM 567 CA GLY A 35 -1.810 -7.787 -8.958 1.00 74.32 C ATOM 568 C GLY A 35 -1.015 -6.706 -8.238 1.00 41.31 C ATOM 569 O GLY A 35 0.194 -6.844 -8.043 1.00 55.42 O ATOM 0 H GLY A 35 -3.470 -7.817 -7.679 1.00 63.42 H new ATOM 0 HA2 GLY A 35 -1.440 -8.768 -8.660 1.00 74.32 H new ATOM 0 HA3 GLY A 35 -1.651 -7.699 -10.033 1.00 74.32 H new ATOM 573 N ASP A 36 -1.716 -5.628 -7.834 1.00 11.35 N ATOM 574 CA ASP A 36 -1.128 -4.433 -7.194 1.00 42.52 C ATOM 575 C ASP A 36 -2.078 -3.821 -6.140 1.00 3.53 C ATOM 576 O ASP A 36 -3.304 -3.979 -6.196 1.00 34.22 O ATOM 577 CB ASP A 36 -0.790 -3.319 -8.229 1.00 62.44 C ATOM 578 CG ASP A 36 0.389 -3.659 -9.152 1.00 23.42 C ATOM 579 OD1 ASP A 36 1.558 -3.452 -8.750 1.00 54.15 O ATOM 580 OD2 ASP A 36 0.155 -4.119 -10.295 1.00 53.13 O ATOM 0 H ASP A 36 -2.728 -5.562 -7.946 1.00 11.35 H new ATOM 0 HA ASP A 36 -0.212 -4.781 -6.716 1.00 42.52 H new ATOM 0 HB2 ASP A 36 -1.672 -3.126 -8.840 1.00 62.44 H new ATOM 0 HB3 ASP A 36 -0.564 -2.397 -7.694 1.00 62.44 H new ATOM 585 N ILE A 37 -1.467 -3.122 -5.173 1.00 50.43 N ATOM 586 CA ILE A 37 -2.122 -2.090 -4.355 1.00 34.25 C ATOM 587 C ILE A 37 -1.702 -0.720 -4.897 1.00 2.11 C ATOM 588 O ILE A 37 -0.532 -0.331 -4.805 1.00 31.54 O ATOM 589 CB ILE A 37 -1.767 -2.214 -2.820 1.00 41.51 C ATOM 590 CG1 ILE A 37 -2.396 -3.514 -2.238 1.00 15.33 C ATOM 591 CG2 ILE A 37 -2.214 -0.966 -1.995 1.00 14.33 C ATOM 592 CD1 ILE A 37 -3.902 -3.607 -2.408 1.00 34.04 C ATOM 0 H ILE A 37 -0.485 -3.260 -4.933 1.00 50.43 H new ATOM 0 HA ILE A 37 -3.202 -2.221 -4.425 1.00 34.25 H new ATOM 0 HB ILE A 37 -0.681 -2.265 -2.738 1.00 41.51 H new ATOM 0 HG12 ILE A 37 -1.933 -4.375 -2.720 1.00 15.33 H new ATOM 0 HG13 ILE A 37 -2.157 -3.576 -1.176 1.00 15.33 H new ATOM 0 HG21 ILE A 37 -1.945 -1.106 -0.948 1.00 14.33 H new ATOM 0 HG22 ILE A 37 -1.716 -0.077 -2.382 1.00 14.33 H new ATOM 0 HG23 ILE A 37 -3.294 -0.842 -2.079 1.00 14.33 H new ATOM 0 HD11 ILE A 37 -4.260 -4.542 -1.976 1.00 34.04 H new ATOM 0 HD12 ILE A 37 -4.378 -2.767 -1.901 1.00 34.04 H new ATOM 0 HD13 ILE A 37 -4.151 -3.579 -3.469 1.00 34.04 H new ATOM 604 N LYS A 38 -2.659 -0.023 -5.510 1.00 74.00 N ATOM 605 CA LYS A 38 -2.461 1.324 -6.029 1.00 33.13 C ATOM 606 C LYS A 38 -2.871 2.326 -4.933 1.00 73.22 C ATOM 607 O LYS A 38 -4.053 2.511 -4.656 1.00 53.14 O ATOM 608 CB LYS A 38 -3.300 1.481 -7.316 1.00 11.52 C ATOM 609 CG LYS A 38 -3.202 2.856 -8.011 1.00 32.24 C ATOM 610 CD LYS A 38 -4.006 2.921 -9.338 1.00 21.50 C ATOM 611 CE LYS A 38 -3.385 2.105 -10.498 1.00 22.04 C ATOM 612 NZ LYS A 38 -3.458 0.631 -10.300 1.00 73.31 N ATOM 0 H LYS A 38 -3.601 -0.384 -5.660 1.00 74.00 H new ATOM 0 HA LYS A 38 -1.419 1.514 -6.287 1.00 33.13 H new ATOM 0 HB2 LYS A 38 -2.992 0.712 -8.025 1.00 11.52 H new ATOM 0 HB3 LYS A 38 -4.345 1.290 -7.073 1.00 11.52 H new ATOM 0 HG2 LYS A 38 -3.567 3.627 -7.333 1.00 32.24 H new ATOM 0 HG3 LYS A 38 -2.155 3.081 -8.215 1.00 32.24 H new ATOM 0 HD2 LYS A 38 -5.018 2.559 -9.155 1.00 21.50 H new ATOM 0 HD3 LYS A 38 -4.092 3.963 -9.647 1.00 21.50 H new ATOM 0 HE2 LYS A 38 -3.895 2.364 -11.426 1.00 22.04 H new ATOM 0 HE3 LYS A 38 -2.341 2.395 -10.616 1.00 22.04 H new ATOM 0 HZ1 LYS A 38 -3.451 0.156 -11.225 1.00 73.31 H new ATOM 0 HZ2 LYS A 38 -2.639 0.315 -9.742 1.00 73.31 H new ATOM 0 HZ3 LYS A 38 -4.335 0.392 -9.794 1.00 73.31 H new ATOM 626 N LEU A 39 -1.878 2.945 -4.309 1.00 31.32 N ATOM 627 CA LEU A 39 -2.059 3.873 -3.185 1.00 34.34 C ATOM 628 C LEU A 39 -1.552 5.260 -3.596 1.00 51.05 C ATOM 629 O LEU A 39 -0.650 5.373 -4.424 1.00 15.40 O ATOM 630 CB LEU A 39 -1.292 3.329 -1.945 1.00 33.42 C ATOM 631 CG LEU A 39 -1.268 4.239 -0.672 1.00 14.10 C ATOM 632 CD1 LEU A 39 -2.690 4.597 -0.182 1.00 32.31 C ATOM 633 CD2 LEU A 39 -0.437 3.585 0.442 1.00 62.30 C ATOM 0 H LEU A 39 -0.900 2.818 -4.571 1.00 31.32 H new ATOM 0 HA LEU A 39 -3.113 3.958 -2.922 1.00 34.34 H new ATOM 0 HB2 LEU A 39 -1.731 2.370 -1.668 1.00 33.42 H new ATOM 0 HB3 LEU A 39 -0.262 3.134 -2.242 1.00 33.42 H new ATOM 0 HG LEU A 39 -0.791 5.179 -0.949 1.00 14.10 H new ATOM 0 HD11 LEU A 39 -2.621 5.229 0.703 1.00 32.31 H new ATOM 0 HD12 LEU A 39 -3.222 5.131 -0.969 1.00 32.31 H new ATOM 0 HD13 LEU A 39 -3.230 3.683 0.066 1.00 32.31 H new ATOM 0 HD21 LEU A 39 -0.431 4.232 1.319 1.00 62.30 H new ATOM 0 HD22 LEU A 39 -0.874 2.622 0.704 1.00 62.30 H new ATOM 0 HD23 LEU A 39 0.585 3.437 0.094 1.00 62.30 H new ATOM 645 N ASP A 40 -2.155 6.311 -3.026 1.00 54.04 N ATOM 646 CA ASP A 40 -1.712 7.694 -3.228 1.00 33.04 C ATOM 647 C ASP A 40 -1.368 8.313 -1.864 1.00 12.42 C ATOM 648 O ASP A 40 -2.217 8.362 -0.969 1.00 40.20 O ATOM 649 CB ASP A 40 -2.795 8.525 -3.946 1.00 31.12 C ATOM 650 CG ASP A 40 -2.311 9.955 -4.250 1.00 65.40 C ATOM 651 OD1 ASP A 40 -1.490 10.135 -5.178 1.00 65.11 O ATOM 652 OD2 ASP A 40 -2.717 10.903 -3.550 1.00 65.23 O ATOM 0 H ASP A 40 -2.964 6.225 -2.411 1.00 54.04 H new ATOM 0 HA ASP A 40 -0.826 7.696 -3.863 1.00 33.04 H new ATOM 0 HB2 ASP A 40 -3.075 8.031 -4.876 1.00 31.12 H new ATOM 0 HB3 ASP A 40 -3.690 8.568 -3.326 1.00 31.12 H new ATOM 657 N ALA A 41 -0.106 8.715 -1.719 1.00 53.12 N ATOM 658 CA ALA A 41 0.402 9.484 -0.573 1.00 13.42 C ATOM 659 C ALA A 41 0.410 10.984 -0.899 1.00 14.13 C ATOM 660 O ALA A 41 0.351 11.373 -2.076 1.00 62.11 O ATOM 661 CB ALA A 41 1.811 9.006 -0.215 1.00 60.13 C ATOM 0 H ALA A 41 0.614 8.512 -2.412 1.00 53.12 H new ATOM 0 HA ALA A 41 -0.254 9.324 0.283 1.00 13.42 H new ATOM 0 HB1 ALA A 41 2.184 9.578 0.634 1.00 60.13 H new ATOM 0 HB2 ALA A 41 1.781 7.948 0.045 1.00 60.13 H new ATOM 0 HB3 ALA A 41 2.472 9.151 -1.069 1.00 60.13 H new ATOM 667 N GLN A 42 0.487 11.824 0.150 1.00 14.20 N ATOM 668 CA GLN A 42 0.519 13.288 -0.010 1.00 12.11 C ATOM 669 C GLN A 42 1.939 13.753 -0.371 1.00 51.23 C ATOM 670 O GLN A 42 2.159 14.387 -1.406 1.00 40.52 O ATOM 671 CB GLN A 42 0.030 13.988 1.291 1.00 2.42 C ATOM 672 CG GLN A 42 -0.165 15.517 1.140 1.00 31.02 C ATOM 673 CD GLN A 42 -1.270 15.895 0.143 1.00 34.31 C ATOM 674 OE1 GLN A 42 -2.264 15.183 -0.004 1.00 42.10 O ATOM 675 NE2 GLN A 42 -1.108 17.009 -0.558 1.00 73.30 N ATOM 0 H GLN A 42 0.528 11.511 1.120 1.00 14.20 H new ATOM 0 HA GLN A 42 -0.154 13.564 -0.822 1.00 12.11 H new ATOM 0 HB2 GLN A 42 -0.914 13.539 1.602 1.00 2.42 H new ATOM 0 HB3 GLN A 42 0.750 13.799 2.087 1.00 2.42 H new ATOM 0 HG2 GLN A 42 -0.404 15.943 2.114 1.00 31.02 H new ATOM 0 HG3 GLN A 42 0.774 15.966 0.817 1.00 31.02 H new ATOM 0 HE21 GLN A 42 -0.276 17.583 -0.419 1.00 73.30 H new ATOM 0 HE22 GLN A 42 -1.815 17.292 -1.236 1.00 73.30 H new ATOM 684 N THR A 43 2.893 13.407 0.497 1.00 72.11 N ATOM 685 CA THR A 43 4.320 13.687 0.305 1.00 51.12 C ATOM 686 C THR A 43 5.086 12.358 0.223 1.00 51.52 C ATOM 687 O THR A 43 4.493 11.273 0.347 1.00 61.03 O ATOM 688 CB THR A 43 4.885 14.575 1.467 1.00 42.33 C ATOM 689 OG1 THR A 43 4.705 13.903 2.723 1.00 71.32 O ATOM 690 CG2 THR A 43 4.217 15.968 1.518 1.00 25.11 C ATOM 0 H THR A 43 2.693 12.916 1.368 1.00 72.11 H new ATOM 0 HA THR A 43 4.449 14.243 -0.624 1.00 51.12 H new ATOM 0 HB THR A 43 5.947 14.729 1.274 1.00 42.33 H new ATOM 0 HG1 THR A 43 5.061 14.460 3.446 1.00 71.32 H new ATOM 0 HG21 THR A 43 4.642 16.545 2.339 1.00 25.11 H new ATOM 0 HG22 THR A 43 4.393 16.491 0.578 1.00 25.11 H new ATOM 0 HG23 THR A 43 3.144 15.852 1.673 1.00 25.11 H new ATOM 698 N GLU A 44 6.401 12.450 -0.013 1.00 62.43 N ATOM 699 CA GLU A 44 7.280 11.278 -0.177 1.00 64.45 C ATOM 700 C GLU A 44 7.591 10.681 1.199 1.00 35.42 C ATOM 701 O GLU A 44 7.784 9.478 1.320 1.00 45.24 O ATOM 702 CB GLU A 44 8.617 11.628 -0.914 1.00 14.40 C ATOM 703 CG GLU A 44 8.461 12.409 -2.243 1.00 3.24 C ATOM 704 CD GLU A 44 8.098 13.886 -2.034 1.00 44.00 C ATOM 705 OE1 GLU A 44 8.937 14.632 -1.489 1.00 30.12 O ATOM 706 OE2 GLU A 44 6.967 14.298 -2.351 1.00 14.22 O ATOM 0 H GLU A 44 6.890 13.341 -0.096 1.00 62.43 H new ATOM 0 HA GLU A 44 6.750 10.555 -0.797 1.00 64.45 H new ATOM 0 HB2 GLU A 44 9.241 12.214 -0.239 1.00 14.40 H new ATOM 0 HB3 GLU A 44 9.152 10.701 -1.118 1.00 14.40 H new ATOM 0 HG2 GLU A 44 9.392 12.346 -2.806 1.00 3.24 H new ATOM 0 HG3 GLU A 44 7.689 11.934 -2.849 1.00 3.24 H new ATOM 713 N LYS A 45 7.629 11.555 2.225 1.00 22.44 N ATOM 714 CA LYS A 45 7.840 11.158 3.626 1.00 35.44 C ATOM 715 C LYS A 45 6.596 10.415 4.143 1.00 43.50 C ATOM 716 O LYS A 45 6.701 9.440 4.901 1.00 63.04 O ATOM 717 CB LYS A 45 8.138 12.411 4.503 1.00 51.15 C ATOM 718 CG LYS A 45 8.657 12.094 5.929 1.00 42.44 C ATOM 719 CD LYS A 45 10.003 11.320 5.917 1.00 14.05 C ATOM 720 CE LYS A 45 11.135 12.113 5.231 1.00 33.55 C ATOM 721 NZ LYS A 45 12.376 11.316 5.082 1.00 43.34 N ATOM 0 H LYS A 45 7.513 12.561 2.101 1.00 22.44 H new ATOM 0 HA LYS A 45 8.699 10.490 3.686 1.00 35.44 H new ATOM 0 HB2 LYS A 45 8.876 13.029 3.991 1.00 51.15 H new ATOM 0 HB3 LYS A 45 7.228 13.005 4.586 1.00 51.15 H new ATOM 0 HG2 LYS A 45 8.783 13.025 6.481 1.00 42.44 H new ATOM 0 HG3 LYS A 45 7.909 11.506 6.461 1.00 42.44 H new ATOM 0 HD2 LYS A 45 10.295 11.089 6.942 1.00 14.05 H new ATOM 0 HD3 LYS A 45 9.867 10.369 5.402 1.00 14.05 H new ATOM 0 HE2 LYS A 45 10.799 12.443 4.248 1.00 33.55 H new ATOM 0 HE3 LYS A 45 11.350 13.010 5.812 1.00 33.55 H new ATOM 0 HZ1 LYS A 45 13.144 11.930 4.742 1.00 43.34 H new ATOM 0 HZ2 LYS A 45 12.640 10.909 6.002 1.00 43.34 H new ATOM 0 HZ3 LYS A 45 12.216 10.550 4.397 1.00 43.34 H new ATOM 735 N GLU A 46 5.416 10.928 3.730 1.00 30.33 N ATOM 736 CA GLU A 46 4.121 10.256 3.917 1.00 71.23 C ATOM 737 C GLU A 46 4.173 8.840 3.307 1.00 70.01 C ATOM 738 O GLU A 46 3.829 7.849 3.964 1.00 51.44 O ATOM 739 CB GLU A 46 2.986 11.081 3.243 1.00 54.34 C ATOM 740 CG GLU A 46 1.555 10.656 3.626 1.00 73.53 C ATOM 741 CD GLU A 46 1.118 11.184 5.003 1.00 14.50 C ATOM 742 OE1 GLU A 46 0.663 12.345 5.090 1.00 42.35 O ATOM 743 OE2 GLU A 46 1.238 10.457 6.006 1.00 64.21 O ATOM 0 H GLU A 46 5.340 11.827 3.254 1.00 30.33 H new ATOM 0 HA GLU A 46 3.914 10.179 4.984 1.00 71.23 H new ATOM 0 HB2 GLU A 46 3.118 12.131 3.502 1.00 54.34 H new ATOM 0 HB3 GLU A 46 3.094 11.003 2.161 1.00 54.34 H new ATOM 0 HG2 GLU A 46 0.860 11.017 2.868 1.00 73.53 H new ATOM 0 HG3 GLU A 46 1.493 9.568 3.624 1.00 73.53 H new ATOM 750 N ALA A 47 4.650 8.785 2.041 1.00 3.22 N ATOM 751 CA ALA A 47 4.804 7.548 1.260 1.00 52.45 C ATOM 752 C ALA A 47 5.743 6.531 1.927 1.00 3.33 C ATOM 753 O ALA A 47 5.498 5.335 1.834 1.00 15.51 O ATOM 754 CB ALA A 47 5.313 7.873 -0.151 1.00 24.24 C ATOM 0 H ALA A 47 4.942 9.618 1.530 1.00 3.22 H new ATOM 0 HA ALA A 47 3.817 7.088 1.206 1.00 52.45 H new ATOM 0 HB1 ALA A 47 5.423 6.950 -0.720 1.00 24.24 H new ATOM 0 HB2 ALA A 47 4.600 8.526 -0.654 1.00 24.24 H new ATOM 0 HB3 ALA A 47 6.278 8.375 -0.083 1.00 24.24 H new ATOM 760 N GLU A 48 6.815 7.031 2.581 1.00 1.11 N ATOM 761 CA GLU A 48 7.828 6.178 3.239 1.00 65.31 C ATOM 762 C GLU A 48 7.231 5.397 4.421 1.00 51.31 C ATOM 763 O GLU A 48 7.644 4.274 4.693 1.00 51.25 O ATOM 764 CB GLU A 48 9.060 7.011 3.684 1.00 63.25 C ATOM 765 CG GLU A 48 9.951 7.470 2.517 1.00 1.21 C ATOM 766 CD GLU A 48 11.141 8.313 2.987 1.00 72.42 C ATOM 767 OE1 GLU A 48 12.197 7.738 3.323 1.00 53.13 O ATOM 768 OE2 GLU A 48 11.023 9.550 3.044 1.00 22.12 O ATOM 0 H GLU A 48 7.001 8.030 2.667 1.00 1.11 H new ATOM 0 HA GLU A 48 8.165 5.448 2.503 1.00 65.31 H new ATOM 0 HB2 GLU A 48 8.716 7.887 4.233 1.00 63.25 H new ATOM 0 HB3 GLU A 48 9.659 6.417 4.375 1.00 63.25 H new ATOM 0 HG2 GLU A 48 10.318 6.596 1.979 1.00 1.21 H new ATOM 0 HG3 GLU A 48 9.354 8.050 1.814 1.00 1.21 H new ATOM 775 N LYS A 49 6.266 5.990 5.125 1.00 22.42 N ATOM 776 CA LYS A 49 5.557 5.302 6.222 1.00 61.50 C ATOM 777 C LYS A 49 4.562 4.276 5.632 1.00 45.44 C ATOM 778 O LYS A 49 4.464 3.141 6.097 1.00 34.20 O ATOM 779 CB LYS A 49 4.810 6.338 7.089 1.00 14.12 C ATOM 780 CG LYS A 49 5.706 7.448 7.677 1.00 24.10 C ATOM 781 CD LYS A 49 4.884 8.533 8.409 1.00 13.24 C ATOM 782 CE LYS A 49 3.911 9.272 7.482 1.00 61.42 C ATOM 783 NZ LYS A 49 3.082 10.255 8.221 1.00 21.31 N ATOM 0 H LYS A 49 5.952 6.946 4.960 1.00 22.42 H new ATOM 0 HA LYS A 49 6.277 4.775 6.848 1.00 61.50 H new ATOM 0 HB2 LYS A 49 4.029 6.801 6.486 1.00 14.12 H new ATOM 0 HB3 LYS A 49 4.314 5.817 7.908 1.00 14.12 H new ATOM 0 HG2 LYS A 49 6.421 7.006 8.371 1.00 24.10 H new ATOM 0 HG3 LYS A 49 6.283 7.910 6.876 1.00 24.10 H new ATOM 0 HD2 LYS A 49 4.323 8.070 9.221 1.00 13.24 H new ATOM 0 HD3 LYS A 49 5.565 9.254 8.862 1.00 13.24 H new ATOM 0 HE2 LYS A 49 4.472 9.785 6.701 1.00 61.42 H new ATOM 0 HE3 LYS A 49 3.262 8.550 6.986 1.00 61.42 H new ATOM 0 HZ1 LYS A 49 2.269 10.533 7.636 1.00 21.31 H new ATOM 0 HZ2 LYS A 49 2.742 9.827 9.106 1.00 21.31 H new ATOM 0 HZ3 LYS A 49 3.654 11.096 8.441 1.00 21.31 H new ATOM 797 N MET A 50 3.817 4.754 4.621 1.00 3.02 N ATOM 798 CA MET A 50 2.823 3.951 3.873 1.00 31.52 C ATOM 799 C MET A 50 3.416 2.606 3.365 1.00 14.54 C ATOM 800 O MET A 50 2.924 1.539 3.728 1.00 13.32 O ATOM 801 CB MET A 50 2.192 4.784 2.720 1.00 43.21 C ATOM 802 CG MET A 50 1.242 5.891 3.204 1.00 75.23 C ATOM 803 SD MET A 50 0.390 6.731 1.855 1.00 71.52 S ATOM 804 CE MET A 50 -0.762 7.770 2.753 1.00 45.34 C ATOM 0 H MET A 50 3.885 5.718 4.294 1.00 3.02 H new ATOM 0 HA MET A 50 2.025 3.688 4.567 1.00 31.52 H new ATOM 0 HB2 MET A 50 2.990 5.235 2.131 1.00 43.21 H new ATOM 0 HB3 MET A 50 1.646 4.114 2.056 1.00 43.21 H new ATOM 0 HG2 MET A 50 0.503 5.458 3.879 1.00 75.23 H new ATOM 0 HG3 MET A 50 1.809 6.623 3.779 1.00 75.23 H new ATOM 0 HE1 MET A 50 -1.028 8.632 2.141 1.00 45.34 H new ATOM 0 HE2 MET A 50 -1.661 7.199 2.986 1.00 45.34 H new ATOM 0 HE3 MET A 50 -0.299 8.111 3.679 1.00 45.34 H new ATOM 814 N GLU A 51 4.475 2.681 2.546 1.00 55.31 N ATOM 815 CA GLU A 51 5.176 1.501 1.974 1.00 3.21 C ATOM 816 C GLU A 51 5.785 0.556 3.053 1.00 73.24 C ATOM 817 O GLU A 51 5.966 -0.642 2.804 1.00 31.23 O ATOM 818 CB GLU A 51 6.280 1.987 1.010 1.00 61.21 C ATOM 819 CG GLU A 51 7.418 2.766 1.682 1.00 1.40 C ATOM 820 CD GLU A 51 8.483 3.271 0.705 1.00 51.34 C ATOM 821 OE1 GLU A 51 8.139 4.074 -0.180 1.00 50.21 O ATOM 822 OE2 GLU A 51 9.668 2.879 0.827 1.00 22.31 O ATOM 0 H GLU A 51 4.881 3.570 2.253 1.00 55.31 H new ATOM 0 HA GLU A 51 4.430 0.911 1.442 1.00 3.21 H new ATOM 0 HB2 GLU A 51 6.702 1.123 0.497 1.00 61.21 H new ATOM 0 HB3 GLU A 51 5.825 2.619 0.247 1.00 61.21 H new ATOM 0 HG2 GLU A 51 6.997 3.617 2.217 1.00 1.40 H new ATOM 0 HG3 GLU A 51 7.894 2.126 2.425 1.00 1.40 H new ATOM 829 N LYS A 52 6.107 1.118 4.229 1.00 61.12 N ATOM 830 CA LYS A 52 6.644 0.346 5.379 1.00 14.44 C ATOM 831 C LYS A 52 5.498 -0.404 6.081 1.00 61.30 C ATOM 832 O LYS A 52 5.691 -1.512 6.599 1.00 2.20 O ATOM 833 CB LYS A 52 7.416 1.277 6.373 1.00 15.44 C ATOM 834 CG LYS A 52 8.947 1.348 6.166 1.00 44.34 C ATOM 835 CD LYS A 52 9.358 1.714 4.720 1.00 12.23 C ATOM 836 CE LYS A 52 10.842 2.063 4.595 1.00 21.24 C ATOM 837 NZ LYS A 52 11.178 2.500 3.221 1.00 1.12 N ATOM 0 H LYS A 52 6.006 2.115 4.417 1.00 61.12 H new ATOM 0 HA LYS A 52 7.361 -0.387 5.008 1.00 14.44 H new ATOM 0 HB2 LYS A 52 7.009 2.285 6.290 1.00 15.44 H new ATOM 0 HB3 LYS A 52 7.220 0.936 7.390 1.00 15.44 H new ATOM 0 HG2 LYS A 52 9.365 2.085 6.852 1.00 44.34 H new ATOM 0 HG3 LYS A 52 9.386 0.385 6.427 1.00 44.34 H new ATOM 0 HD2 LYS A 52 9.129 0.877 4.060 1.00 12.23 H new ATOM 0 HD3 LYS A 52 8.761 2.560 4.381 1.00 12.23 H new ATOM 0 HE2 LYS A 52 11.093 2.854 5.302 1.00 21.24 H new ATOM 0 HE3 LYS A 52 11.446 1.195 4.861 1.00 21.24 H new ATOM 0 HZ1 LYS A 52 11.882 1.852 2.813 1.00 1.12 H new ATOM 0 HZ2 LYS A 52 10.319 2.492 2.634 1.00 1.12 H new ATOM 0 HZ3 LYS A 52 11.569 3.463 3.249 1.00 1.12 H new ATOM 851 N ALA A 53 4.307 0.231 6.093 1.00 14.22 N ATOM 852 CA ALA A 53 3.074 -0.358 6.644 1.00 52.13 C ATOM 853 C ALA A 53 2.622 -1.552 5.788 1.00 12.31 C ATOM 854 O ALA A 53 2.061 -2.527 6.306 1.00 31.12 O ATOM 855 CB ALA A 53 1.970 0.709 6.752 1.00 25.04 C ATOM 0 H ALA A 53 4.176 1.171 5.718 1.00 14.22 H new ATOM 0 HA ALA A 53 3.278 -0.727 7.649 1.00 52.13 H new ATOM 0 HB1 ALA A 53 1.066 0.257 7.161 1.00 25.04 H new ATOM 0 HB2 ALA A 53 2.303 1.512 7.409 1.00 25.04 H new ATOM 0 HB3 ALA A 53 1.758 1.114 5.763 1.00 25.04 H new ATOM 861 N VAL A 54 2.859 -1.445 4.468 1.00 30.54 N ATOM 862 CA VAL A 54 2.698 -2.553 3.518 1.00 63.54 C ATOM 863 C VAL A 54 3.612 -3.746 3.895 1.00 71.24 C ATOM 864 O VAL A 54 3.146 -4.878 4.089 1.00 24.44 O ATOM 865 CB VAL A 54 3.042 -2.078 2.055 1.00 52.04 C ATOM 866 CG1 VAL A 54 2.910 -3.234 1.047 1.00 13.21 C ATOM 867 CG2 VAL A 54 2.178 -0.862 1.636 1.00 63.33 C ATOM 0 H VAL A 54 3.170 -0.578 4.030 1.00 30.54 H new ATOM 0 HA VAL A 54 1.658 -2.877 3.561 1.00 63.54 H new ATOM 0 HB VAL A 54 4.083 -1.755 2.051 1.00 52.04 H new ATOM 0 HG11 VAL A 54 3.154 -2.875 0.047 1.00 13.21 H new ATOM 0 HG12 VAL A 54 3.595 -4.036 1.321 1.00 13.21 H new ATOM 0 HG13 VAL A 54 1.887 -3.611 1.058 1.00 13.21 H new ATOM 0 HG21 VAL A 54 2.441 -0.561 0.622 1.00 63.33 H new ATOM 0 HG22 VAL A 54 1.123 -1.136 1.671 1.00 63.33 H new ATOM 0 HG23 VAL A 54 2.361 -0.033 2.320 1.00 63.33 H new ATOM 877 N LYS A 55 4.927 -3.452 3.990 1.00 44.42 N ATOM 878 CA LYS A 55 5.986 -4.458 4.244 1.00 4.34 C ATOM 879 C LYS A 55 5.843 -5.220 5.585 1.00 31.24 C ATOM 880 O LYS A 55 6.561 -6.205 5.796 1.00 63.53 O ATOM 881 CB LYS A 55 7.399 -3.811 4.117 1.00 21.23 C ATOM 882 CG LYS A 55 7.816 -3.509 2.659 1.00 73.12 C ATOM 883 CD LYS A 55 9.249 -2.937 2.553 1.00 64.52 C ATOM 884 CE LYS A 55 9.740 -2.817 1.102 1.00 55.30 C ATOM 885 NZ LYS A 55 9.844 -4.137 0.423 1.00 62.23 N ATOM 0 H LYS A 55 5.288 -2.503 3.892 1.00 44.42 H new ATOM 0 HA LYS A 55 5.860 -5.216 3.471 1.00 4.34 H new ATOM 0 HB2 LYS A 55 7.417 -2.884 4.690 1.00 21.23 H new ATOM 0 HB3 LYS A 55 8.136 -4.478 4.566 1.00 21.23 H new ATOM 0 HG2 LYS A 55 7.750 -4.424 2.070 1.00 73.12 H new ATOM 0 HG3 LYS A 55 7.113 -2.799 2.224 1.00 73.12 H new ATOM 0 HD2 LYS A 55 9.278 -1.954 3.023 1.00 64.52 H new ATOM 0 HD3 LYS A 55 9.932 -3.577 3.111 1.00 64.52 H new ATOM 0 HE2 LYS A 55 9.057 -2.178 0.543 1.00 55.30 H new ATOM 0 HE3 LYS A 55 10.715 -2.329 1.091 1.00 55.30 H new ATOM 0 HZ1 LYS A 55 10.819 -4.281 0.092 1.00 62.23 H new ATOM 0 HZ2 LYS A 55 9.590 -4.892 1.091 1.00 62.23 H new ATOM 0 HZ3 LYS A 55 9.196 -4.161 -0.390 1.00 62.23 H new ATOM 899 N LYS A 56 4.927 -4.780 6.471 1.00 52.35 N ATOM 900 CA LYS A 56 4.614 -5.508 7.721 1.00 10.05 C ATOM 901 C LYS A 56 3.960 -6.876 7.424 1.00 63.11 C ATOM 902 O LYS A 56 4.332 -7.893 8.021 1.00 42.40 O ATOM 903 CB LYS A 56 3.687 -4.669 8.645 1.00 60.21 C ATOM 904 CG LYS A 56 4.303 -3.338 9.131 1.00 22.11 C ATOM 905 CD LYS A 56 3.420 -2.602 10.168 1.00 52.31 C ATOM 906 CE LYS A 56 2.016 -2.284 9.631 1.00 41.22 C ATOM 907 NZ LYS A 56 1.157 -1.634 10.643 1.00 60.23 N ATOM 0 H LYS A 56 4.389 -3.923 6.345 1.00 52.35 H new ATOM 0 HA LYS A 56 5.558 -5.679 8.238 1.00 10.05 H new ATOM 0 HB2 LYS A 56 2.762 -4.453 8.111 1.00 60.21 H new ATOM 0 HB3 LYS A 56 3.421 -5.270 9.514 1.00 60.21 H new ATOM 0 HG2 LYS A 56 5.280 -3.536 9.571 1.00 22.11 H new ATOM 0 HG3 LYS A 56 4.466 -2.685 8.273 1.00 22.11 H new ATOM 0 HD2 LYS A 56 3.331 -3.216 11.065 1.00 52.31 H new ATOM 0 HD3 LYS A 56 3.910 -1.674 10.464 1.00 52.31 H new ATOM 0 HE2 LYS A 56 2.102 -1.634 8.760 1.00 41.22 H new ATOM 0 HE3 LYS A 56 1.542 -3.206 9.295 1.00 41.22 H new ATOM 0 HZ1 LYS A 56 0.215 -2.074 10.633 1.00 60.23 H new ATOM 0 HZ2 LYS A 56 1.583 -1.748 11.585 1.00 60.23 H new ATOM 0 HZ3 LYS A 56 1.068 -0.621 10.424 1.00 60.23 H new ATOM 921 N VAL A 57 2.982 -6.885 6.497 1.00 64.24 N ATOM 922 CA VAL A 57 2.223 -8.107 6.148 1.00 62.03 C ATOM 923 C VAL A 57 2.948 -8.923 5.059 1.00 62.53 C ATOM 924 O VAL A 57 2.842 -10.157 5.025 1.00 24.11 O ATOM 925 CB VAL A 57 0.766 -7.775 5.651 1.00 43.22 C ATOM 926 CG1 VAL A 57 -0.059 -9.068 5.423 1.00 40.34 C ATOM 927 CG2 VAL A 57 0.039 -6.822 6.626 1.00 63.00 C ATOM 0 H VAL A 57 2.697 -6.057 5.973 1.00 64.24 H new ATOM 0 HA VAL A 57 2.156 -8.697 7.062 1.00 62.03 H new ATOM 0 HB VAL A 57 0.859 -7.263 4.693 1.00 43.22 H new ATOM 0 HG11 VAL A 57 -1.060 -8.805 5.080 1.00 40.34 H new ATOM 0 HG12 VAL A 57 0.432 -9.685 4.670 1.00 40.34 H new ATOM 0 HG13 VAL A 57 -0.130 -9.624 6.358 1.00 40.34 H new ATOM 0 HG21 VAL A 57 -0.963 -6.614 6.252 1.00 63.00 H new ATOM 0 HG22 VAL A 57 -0.030 -7.290 7.608 1.00 63.00 H new ATOM 0 HG23 VAL A 57 0.597 -5.889 6.707 1.00 63.00 H new ATOM 937 N LYS A 58 3.737 -8.241 4.208 1.00 43.10 N ATOM 938 CA LYS A 58 4.291 -8.862 2.992 1.00 4.43 C ATOM 939 C LYS A 58 5.761 -8.404 2.767 1.00 61.04 C ATOM 940 O LYS A 58 6.021 -7.229 2.471 1.00 15.41 O ATOM 941 CB LYS A 58 3.376 -8.595 1.758 1.00 20.35 C ATOM 942 CG LYS A 58 3.317 -7.140 1.223 1.00 64.12 C ATOM 943 CD LYS A 58 2.376 -6.974 0.009 1.00 55.23 C ATOM 944 CE LYS A 58 2.626 -8.008 -1.102 1.00 22.11 C ATOM 945 NZ LYS A 58 4.003 -7.974 -1.645 1.00 54.32 N ATOM 0 H LYS A 58 4.004 -7.265 4.339 1.00 43.10 H new ATOM 0 HA LYS A 58 4.313 -9.943 3.127 1.00 4.43 H new ATOM 0 HB2 LYS A 58 3.708 -9.241 0.945 1.00 20.35 H new ATOM 0 HB3 LYS A 58 2.362 -8.902 2.016 1.00 20.35 H new ATOM 0 HG2 LYS A 58 2.986 -6.479 2.024 1.00 64.12 H new ATOM 0 HG3 LYS A 58 4.321 -6.822 0.942 1.00 64.12 H new ATOM 0 HD2 LYS A 58 1.343 -7.056 0.346 1.00 55.23 H new ATOM 0 HD3 LYS A 58 2.499 -5.972 -0.403 1.00 55.23 H new ATOM 0 HE2 LYS A 58 2.423 -9.005 -0.711 1.00 22.11 H new ATOM 0 HE3 LYS A 58 1.920 -7.834 -1.914 1.00 22.11 H new ATOM 0 HZ1 LYS A 58 4.316 -8.942 -1.859 1.00 54.32 H new ATOM 0 HZ2 LYS A 58 4.019 -7.405 -2.515 1.00 54.32 H new ATOM 0 HZ3 LYS A 58 4.643 -7.551 -0.943 1.00 54.32 H new ATOM 959 N PRO A 59 6.761 -9.321 2.955 1.00 60.14 N ATOM 960 CA PRO A 59 8.193 -9.003 2.722 1.00 4.25 C ATOM 961 C PRO A 59 8.515 -8.797 1.222 1.00 44.05 C ATOM 962 O PRO A 59 9.399 -8.007 0.876 1.00 41.14 O ATOM 963 CB PRO A 59 8.934 -10.232 3.312 1.00 62.32 C ATOM 964 CG PRO A 59 7.946 -11.357 3.224 1.00 50.42 C ATOM 965 CD PRO A 59 6.586 -10.726 3.444 1.00 64.23 C ATOM 0 HA PRO A 59 8.493 -8.064 3.187 1.00 4.25 H new ATOM 0 HB2 PRO A 59 9.839 -10.456 2.748 1.00 62.32 H new ATOM 0 HB3 PRO A 59 9.238 -10.053 4.343 1.00 62.32 H new ATOM 0 HG2 PRO A 59 7.997 -11.848 2.252 1.00 50.42 H new ATOM 0 HG3 PRO A 59 8.151 -12.118 3.977 1.00 50.42 H new ATOM 0 HD2 PRO A 59 5.808 -11.249 2.888 1.00 64.23 H new ATOM 0 HD3 PRO A 59 6.299 -10.751 4.495 1.00 64.23 H new ATOM 973 N ASN A 60 7.754 -9.464 0.330 1.00 34.32 N ATOM 974 CA ASN A 60 8.005 -9.426 -1.133 1.00 4.45 C ATOM 975 C ASN A 60 7.227 -8.261 -1.790 1.00 33.52 C ATOM 976 O ASN A 60 6.782 -8.343 -2.936 1.00 74.21 O ATOM 977 CB ASN A 60 7.657 -10.817 -1.747 1.00 41.01 C ATOM 978 CG ASN A 60 8.161 -11.019 -3.183 1.00 33.24 C ATOM 979 OD1 ASN A 60 7.434 -10.822 -4.154 1.00 64.20 O ATOM 980 ND2 ASN A 60 9.418 -11.397 -3.328 1.00 51.53 N ATOM 0 H ASN A 60 6.955 -10.040 0.596 1.00 34.32 H new ATOM 0 HA ASN A 60 9.059 -9.232 -1.330 1.00 4.45 H new ATOM 0 HB2 ASN A 60 8.080 -11.597 -1.113 1.00 41.01 H new ATOM 0 HB3 ASN A 60 6.575 -10.947 -1.733 1.00 41.01 H new ATOM 0 HD21 ASN A 60 9.806 -11.532 -4.262 1.00 51.53 H new ATOM 0 HD22 ASN A 60 10.001 -11.554 -2.506 1.00 51.53 H new ATOM 987 N ALA A 61 7.039 -7.162 -1.030 1.00 14.30 N ATOM 988 CA ALA A 61 6.490 -5.916 -1.571 1.00 12.22 C ATOM 989 C ALA A 61 7.511 -5.243 -2.509 1.00 24.11 C ATOM 990 O ALA A 61 8.570 -4.791 -2.058 1.00 45.11 O ATOM 991 CB ALA A 61 6.091 -4.982 -0.417 1.00 71.12 C ATOM 0 H ALA A 61 7.263 -7.120 -0.036 1.00 14.30 H new ATOM 0 HA ALA A 61 5.598 -6.138 -2.157 1.00 12.22 H new ATOM 0 HB1 ALA A 61 5.683 -4.056 -0.823 1.00 71.12 H new ATOM 0 HB2 ALA A 61 5.338 -5.470 0.202 1.00 71.12 H new ATOM 0 HB3 ALA A 61 6.969 -4.757 0.189 1.00 71.12 H new ATOM 997 N THR A 62 7.179 -5.203 -3.809 1.00 43.04 N ATOM 998 CA THR A 62 7.936 -4.445 -4.816 1.00 13.34 C ATOM 999 C THR A 62 7.163 -3.153 -5.092 1.00 71.22 C ATOM 1000 O THR A 62 6.129 -3.172 -5.767 1.00 71.23 O ATOM 1001 CB THR A 62 8.134 -5.272 -6.126 1.00 34.04 C ATOM 1002 OG1 THR A 62 8.771 -6.516 -5.802 1.00 42.22 O ATOM 1003 CG2 THR A 62 8.986 -4.525 -7.170 1.00 72.01 C ATOM 0 H THR A 62 6.374 -5.698 -4.192 1.00 43.04 H new ATOM 0 HA THR A 62 8.935 -4.220 -4.442 1.00 13.34 H new ATOM 0 HB THR A 62 7.150 -5.439 -6.564 1.00 34.04 H new ATOM 0 HG1 THR A 62 8.897 -7.042 -6.619 1.00 42.22 H new ATOM 0 HG21 THR A 62 9.093 -5.143 -8.061 1.00 72.01 H new ATOM 0 HG22 THR A 62 8.497 -3.588 -7.435 1.00 72.01 H new ATOM 0 HG23 THR A 62 9.971 -4.315 -6.753 1.00 72.01 H new ATOM 1011 N ILE A 63 7.650 -2.045 -4.524 1.00 34.34 N ATOM 1012 CA ILE A 63 6.908 -0.777 -4.436 1.00 51.21 C ATOM 1013 C ILE A 63 7.522 0.249 -5.400 1.00 24.31 C ATOM 1014 O ILE A 63 8.732 0.499 -5.359 1.00 1.43 O ATOM 1015 CB ILE A 63 6.938 -0.261 -2.945 1.00 21.10 C ATOM 1016 CG1 ILE A 63 6.481 -1.421 -1.989 1.00 33.34 C ATOM 1017 CG2 ILE A 63 6.064 1.009 -2.762 1.00 34.22 C ATOM 1018 CD1 ILE A 63 6.687 -1.186 -0.513 1.00 41.24 C ATOM 0 H ILE A 63 8.580 -2.000 -4.107 1.00 34.34 H new ATOM 0 HA ILE A 63 5.868 -0.927 -4.726 1.00 51.21 H new ATOM 0 HB ILE A 63 7.958 0.028 -2.690 1.00 21.10 H new ATOM 0 HG12 ILE A 63 5.421 -1.610 -2.161 1.00 33.34 H new ATOM 0 HG13 ILE A 63 7.017 -2.328 -2.270 1.00 33.34 H new ATOM 0 HG21 ILE A 63 6.109 1.335 -1.723 1.00 34.22 H new ATOM 0 HG22 ILE A 63 6.437 1.804 -3.408 1.00 34.22 H new ATOM 0 HG23 ILE A 63 5.031 0.781 -3.026 1.00 34.22 H new ATOM 0 HD11 ILE A 63 6.335 -2.053 0.046 1.00 41.24 H new ATOM 0 HD12 ILE A 63 7.747 -1.032 -0.314 1.00 41.24 H new ATOM 0 HD13 ILE A 63 6.128 -0.303 -0.204 1.00 41.24 H new ATOM 1030 N ARG A 64 6.674 0.835 -6.264 1.00 62.14 N ATOM 1031 CA ARG A 64 7.088 1.748 -7.338 1.00 43.13 C ATOM 1032 C ARG A 64 6.671 3.175 -6.958 1.00 41.13 C ATOM 1033 O ARG A 64 5.485 3.525 -7.050 1.00 24.11 O ATOM 1034 CB ARG A 64 6.429 1.314 -8.677 1.00 54.55 C ATOM 1035 CG ARG A 64 6.808 -0.104 -9.153 1.00 52.13 C ATOM 1036 CD ARG A 64 6.045 -0.516 -10.426 1.00 63.44 C ATOM 1037 NE ARG A 64 6.276 0.422 -11.547 1.00 73.01 N ATOM 1038 CZ ARG A 64 5.401 0.688 -12.534 1.00 53.11 C ATOM 1039 NH1 ARG A 64 4.212 0.102 -12.569 1.00 73.33 N ATOM 1040 NH2 ARG A 64 5.730 1.542 -13.493 1.00 54.21 N ATOM 0 H ARG A 64 5.666 0.683 -6.233 1.00 62.14 H new ATOM 0 HA ARG A 64 8.170 1.716 -7.468 1.00 43.13 H new ATOM 0 HB2 ARG A 64 5.346 1.368 -8.567 1.00 54.55 H new ATOM 0 HB3 ARG A 64 6.707 2.029 -9.451 1.00 54.55 H new ATOM 0 HG2 ARG A 64 7.880 -0.146 -9.345 1.00 52.13 H new ATOM 0 HG3 ARG A 64 6.598 -0.820 -8.358 1.00 52.13 H new ATOM 0 HD2 ARG A 64 6.354 -1.518 -10.724 1.00 63.44 H new ATOM 0 HD3 ARG A 64 4.978 -0.563 -10.208 1.00 63.44 H new ATOM 0 HE ARG A 64 7.173 0.907 -11.574 1.00 73.01 H new ATOM 0 HH11 ARG A 64 3.949 -0.562 -11.841 1.00 73.33 H new ATOM 0 HH12 ARG A 64 3.561 0.315 -13.324 1.00 73.33 H new ATOM 0 HH21 ARG A 64 6.644 1.995 -13.481 1.00 54.21 H new ATOM 0 HH22 ARG A 64 5.069 1.746 -14.243 1.00 54.21 H new ATOM 1054 N LYS A 65 7.647 3.975 -6.502 1.00 22.45 N ATOM 1055 CA LYS A 65 7.419 5.359 -6.047 1.00 51.35 C ATOM 1056 C LYS A 65 7.634 6.348 -7.203 1.00 74.32 C ATOM 1057 O LYS A 65 8.691 6.348 -7.833 1.00 32.14 O ATOM 1058 CB LYS A 65 8.367 5.733 -4.868 1.00 55.31 C ATOM 1059 CG LYS A 65 8.106 7.146 -4.274 1.00 40.13 C ATOM 1060 CD LYS A 65 9.110 7.603 -3.183 1.00 61.11 C ATOM 1061 CE LYS A 65 9.041 6.793 -1.868 1.00 40.23 C ATOM 1062 NZ LYS A 65 9.744 5.484 -1.954 1.00 21.44 N ATOM 0 H LYS A 65 8.621 3.681 -6.437 1.00 22.45 H new ATOM 0 HA LYS A 65 6.388 5.422 -5.699 1.00 51.35 H new ATOM 0 HB2 LYS A 65 8.257 4.991 -4.077 1.00 55.31 H new ATOM 0 HB3 LYS A 65 9.399 5.680 -5.214 1.00 55.31 H new ATOM 0 HG2 LYS A 65 8.123 7.872 -5.087 1.00 40.13 H new ATOM 0 HG3 LYS A 65 7.102 7.164 -3.851 1.00 40.13 H new ATOM 0 HD2 LYS A 65 10.121 7.533 -3.585 1.00 61.11 H new ATOM 0 HD3 LYS A 65 8.929 8.654 -2.957 1.00 61.11 H new ATOM 0 HE2 LYS A 65 9.478 7.382 -1.062 1.00 40.23 H new ATOM 0 HE3 LYS A 65 7.997 6.622 -1.607 1.00 40.23 H new ATOM 0 HZ1 LYS A 65 9.129 4.734 -1.579 1.00 21.44 H new ATOM 0 HZ2 LYS A 65 9.974 5.278 -2.947 1.00 21.44 H new ATOM 0 HZ3 LYS A 65 10.621 5.524 -1.396 1.00 21.44 H new ATOM 1076 N THR A 66 6.622 7.181 -7.458 1.00 73.52 N ATOM 1077 CA THR A 66 6.720 8.349 -8.352 1.00 21.24 C ATOM 1078 C THR A 66 5.950 9.514 -7.712 1.00 31.12 C ATOM 1079 O THR A 66 5.089 9.288 -6.857 1.00 11.11 O ATOM 1080 CB THR A 66 6.180 8.045 -9.795 1.00 1.14 C ATOM 1081 OG1 THR A 66 6.283 9.220 -10.619 1.00 30.23 O ATOM 1082 CG2 THR A 66 4.722 7.549 -9.792 1.00 2.41 C ATOM 0 H THR A 66 5.696 7.066 -7.046 1.00 73.52 H new ATOM 0 HA THR A 66 7.771 8.611 -8.472 1.00 21.24 H new ATOM 0 HB THR A 66 6.798 7.244 -10.200 1.00 1.14 H new ATOM 0 HG1 THR A 66 5.946 9.020 -11.517 1.00 30.23 H new ATOM 0 HG21 THR A 66 4.402 7.355 -10.816 1.00 2.41 H new ATOM 0 HG22 THR A 66 4.651 6.631 -9.209 1.00 2.41 H new ATOM 0 HG23 THR A 66 4.080 8.310 -9.349 1.00 2.41 H new ATOM 1090 N GLY A 67 6.263 10.749 -8.127 1.00 43.22 N ATOM 1091 CA GLY A 67 5.701 11.954 -7.512 1.00 22.34 C ATOM 1092 C GLY A 67 6.702 12.618 -6.581 1.00 35.02 C ATOM 1093 O GLY A 67 6.453 12.756 -5.383 1.00 33.21 O ATOM 0 H GLY A 67 6.909 10.938 -8.894 1.00 43.22 H new ATOM 0 HA2 GLY A 67 5.403 12.657 -8.290 1.00 22.34 H new ATOM 0 HA3 GLY A 67 4.800 11.694 -6.955 1.00 22.34 H new ATOM 1097 N GLY A 68 7.868 12.987 -7.134 1.00 62.33 N ATOM 1098 CA GLY A 68 8.896 13.742 -6.409 1.00 44.11 C ATOM 1099 C GLY A 68 9.082 15.111 -7.032 1.00 0.13 C ATOM 1100 O GLY A 68 9.569 15.208 -8.163 1.00 14.41 O ATOM 0 H GLY A 68 8.123 12.769 -8.097 1.00 62.33 H new ATOM 0 HA2 GLY A 68 8.609 13.847 -5.363 1.00 44.11 H new ATOM 0 HA3 GLY A 68 9.839 13.196 -6.428 1.00 44.11 H new ATOM 1104 N SER A 69 8.644 16.163 -6.320 1.00 2.34 N ATOM 1105 CA SER A 69 8.736 17.558 -6.791 1.00 4.42 C ATOM 1106 C SER A 69 10.205 18.016 -6.820 1.00 15.34 C ATOM 1107 O SER A 69 10.939 17.815 -5.848 1.00 2.11 O ATOM 1108 CB SER A 69 7.895 18.484 -5.873 1.00 1.54 C ATOM 1109 OG SER A 69 6.533 18.079 -5.830 1.00 75.11 O ATOM 0 H SER A 69 8.215 16.071 -5.399 1.00 2.34 H new ATOM 0 HA SER A 69 8.338 17.616 -7.804 1.00 4.42 H new ATOM 0 HB2 SER A 69 8.311 18.474 -4.865 1.00 1.54 H new ATOM 0 HB3 SER A 69 7.959 19.511 -6.234 1.00 1.54 H new ATOM 0 HG SER A 69 6.031 18.681 -5.242 1.00 75.11 H new ATOM 1115 N LEU A 70 10.627 18.604 -7.953 1.00 54.22 N ATOM 1116 CA LEU A 70 11.985 19.157 -8.112 1.00 64.42 C ATOM 1117 C LEU A 70 12.115 20.430 -7.246 1.00 4.11 C ATOM 1118 O LEU A 70 11.796 21.541 -7.689 1.00 34.44 O ATOM 1119 CB LEU A 70 12.283 19.450 -9.611 1.00 52.31 C ATOM 1120 CG LEU A 70 13.713 20.003 -9.942 1.00 45.53 C ATOM 1121 CD1 LEU A 70 14.824 18.998 -9.552 1.00 43.14 C ATOM 1122 CD2 LEU A 70 13.811 20.402 -11.429 1.00 5.11 C ATOM 0 H LEU A 70 10.040 18.709 -8.781 1.00 54.22 H new ATOM 0 HA LEU A 70 12.722 18.429 -7.775 1.00 64.42 H new ATOM 0 HB2 LEU A 70 12.133 18.530 -10.175 1.00 52.31 H new ATOM 0 HB3 LEU A 70 11.547 20.168 -9.972 1.00 52.31 H new ATOM 0 HG LEU A 70 13.870 20.897 -9.339 1.00 45.53 H new ATOM 0 HD11 LEU A 70 15.799 19.420 -9.798 1.00 43.14 H new ATOM 0 HD12 LEU A 70 14.775 18.798 -8.482 1.00 43.14 H new ATOM 0 HD13 LEU A 70 14.682 18.067 -10.102 1.00 43.14 H new ATOM 0 HD21 LEU A 70 14.811 20.783 -11.638 1.00 5.11 H new ATOM 0 HD22 LEU A 70 13.617 19.530 -12.053 1.00 5.11 H new ATOM 0 HD23 LEU A 70 13.075 21.175 -11.647 1.00 5.11 H new ATOM 1134 N GLU A 71 12.506 20.224 -5.979 1.00 75.03 N ATOM 1135 CA GLU A 71 12.655 21.292 -4.979 1.00 62.13 C ATOM 1136 C GLU A 71 14.000 21.998 -5.169 1.00 62.15 C ATOM 1137 O GLU A 71 15.047 21.427 -4.839 1.00 13.34 O ATOM 1138 CB GLU A 71 12.576 20.702 -3.546 1.00 35.03 C ATOM 1139 CG GLU A 71 11.280 19.932 -3.236 1.00 2.14 C ATOM 1140 CD GLU A 71 11.310 19.272 -1.851 1.00 1.54 C ATOM 1141 OE1 GLU A 71 11.228 19.997 -0.840 1.00 25.54 O ATOM 1142 OE2 GLU A 71 11.454 18.036 -1.760 1.00 64.53 O ATOM 0 H GLU A 71 12.731 19.298 -5.615 1.00 75.03 H new ATOM 0 HA GLU A 71 11.846 22.011 -5.112 1.00 62.13 H new ATOM 0 HB2 GLU A 71 13.424 20.034 -3.396 1.00 35.03 H new ATOM 0 HB3 GLU A 71 12.680 21.515 -2.827 1.00 35.03 H new ATOM 0 HG2 GLU A 71 10.432 20.615 -3.292 1.00 2.14 H new ATOM 0 HG3 GLU A 71 11.124 19.167 -3.997 1.00 2.14 H new ATOM 1149 N HIS A 72 13.976 23.218 -5.733 1.00 72.54 N ATOM 1150 CA HIS A 72 15.187 24.053 -5.853 1.00 22.21 C ATOM 1151 C HIS A 72 15.516 24.677 -4.487 1.00 11.23 C ATOM 1152 O HIS A 72 14.609 25.145 -3.779 1.00 25.41 O ATOM 1153 CB HIS A 72 15.023 25.159 -6.939 1.00 64.23 C ATOM 1154 CG HIS A 72 13.972 26.208 -6.641 1.00 54.23 C ATOM 1155 ND1 HIS A 72 12.632 26.016 -6.884 1.00 75.41 N ATOM 1156 CD2 HIS A 72 14.075 27.457 -6.118 1.00 63.43 C ATOM 1157 CE1 HIS A 72 11.960 27.089 -6.521 1.00 51.12 C ATOM 1158 NE2 HIS A 72 12.813 27.977 -6.054 1.00 5.03 N ATOM 0 H HIS A 72 13.133 23.649 -6.113 1.00 72.54 H new ATOM 0 HA HIS A 72 16.012 23.416 -6.170 1.00 22.21 H new ATOM 0 HB2 HIS A 72 15.983 25.658 -7.074 1.00 64.23 H new ATOM 0 HB3 HIS A 72 14.777 24.681 -7.887 1.00 64.23 H new ATOM 0 HD2 HIS A 72 14.986 27.948 -5.810 1.00 63.43 H new ATOM 0 HE1 HIS A 72 10.890 27.219 -6.594 1.00 51.12 H new ATOM 0 HE2 HIS A 72 12.571 28.903 -5.702 1.00 5.03 H new ATOM 1167 N HIS A 73 16.804 24.658 -4.110 1.00 1.45 N ATOM 1168 CA HIS A 73 17.280 25.319 -2.892 1.00 73.23 C ATOM 1169 C HIS A 73 17.375 26.832 -3.153 1.00 21.23 C ATOM 1170 O HIS A 73 17.849 27.255 -4.215 1.00 13.42 O ATOM 1171 CB HIS A 73 18.654 24.750 -2.445 1.00 15.22 C ATOM 1172 CG HIS A 73 19.154 25.357 -1.158 1.00 45.03 C ATOM 1173 ND1 HIS A 73 20.037 26.413 -1.118 1.00 4.44 N ATOM 1174 CD2 HIS A 73 18.850 25.082 0.135 1.00 12.22 C ATOM 1175 CE1 HIS A 73 20.248 26.760 0.130 1.00 4.33 C ATOM 1176 NE2 HIS A 73 19.541 25.970 0.907 1.00 43.45 N ATOM 0 H HIS A 73 17.538 24.187 -4.639 1.00 1.45 H new ATOM 0 HA HIS A 73 16.574 25.131 -2.083 1.00 73.23 H new ATOM 0 HB2 HIS A 73 18.571 23.670 -2.323 1.00 15.22 H new ATOM 0 HB3 HIS A 73 19.387 24.926 -3.232 1.00 15.22 H new ATOM 0 HD2 HIS A 73 18.186 24.306 0.487 1.00 12.22 H new ATOM 0 HE1 HIS A 73 20.893 27.560 0.462 1.00 4.33 H new ATOM 0 HE2 HIS A 73 19.513 26.014 1.926 1.00 43.45 H new ATOM 1185 N HIS A 74 16.892 27.634 -2.196 1.00 42.24 N ATOM 1186 CA HIS A 74 16.976 29.102 -2.236 1.00 71.41 C ATOM 1187 C HIS A 74 17.959 29.559 -1.148 1.00 51.21 C ATOM 1188 O HIS A 74 17.779 29.233 0.026 1.00 14.11 O ATOM 1189 CB HIS A 74 15.573 29.721 -2.006 1.00 22.31 C ATOM 1190 CG HIS A 74 15.496 31.217 -2.216 1.00 2.12 C ATOM 1191 ND1 HIS A 74 14.988 31.783 -3.366 1.00 42.20 N ATOM 1192 CD2 HIS A 74 15.837 32.260 -1.414 1.00 32.25 C ATOM 1193 CE1 HIS A 74 15.022 33.095 -3.263 1.00 44.02 C ATOM 1194 NE2 HIS A 74 15.532 33.408 -2.091 1.00 63.21 N ATOM 0 H HIS A 74 16.426 27.279 -1.361 1.00 42.24 H new ATOM 0 HA HIS A 74 17.331 29.434 -3.211 1.00 71.41 H new ATOM 0 HB2 HIS A 74 14.864 29.237 -2.678 1.00 22.31 H new ATOM 0 HB3 HIS A 74 15.254 29.494 -0.989 1.00 22.31 H new ATOM 0 HD2 HIS A 74 16.268 32.194 -0.426 1.00 32.25 H new ATOM 0 HE1 HIS A 74 14.688 33.796 -4.014 1.00 44.02 H new ATOM 0 HE2 HIS A 74 15.677 34.356 -1.743 1.00 63.21 H new ATOM 1203 N HIS A 75 19.009 30.285 -1.552 1.00 52.12 N ATOM 1204 CA HIS A 75 20.005 30.866 -0.637 1.00 4.13 C ATOM 1205 C HIS A 75 19.899 32.401 -0.668 1.00 14.13 C ATOM 1206 O HIS A 75 19.430 32.985 -1.657 1.00 53.40 O ATOM 1207 CB HIS A 75 21.429 30.403 -1.049 1.00 4.13 C ATOM 1208 CG HIS A 75 22.524 30.822 -0.097 1.00 11.21 C ATOM 1209 ND1 HIS A 75 23.387 31.871 -0.347 1.00 70.43 N ATOM 1210 CD2 HIS A 75 22.889 30.325 1.109 1.00 41.04 C ATOM 1211 CE1 HIS A 75 24.224 31.995 0.662 1.00 21.14 C ATOM 1212 NE2 HIS A 75 23.941 31.072 1.556 1.00 20.43 N ATOM 0 H HIS A 75 19.195 30.489 -2.534 1.00 52.12 H new ATOM 0 HA HIS A 75 19.813 30.524 0.380 1.00 4.13 H new ATOM 0 HB2 HIS A 75 21.434 29.316 -1.133 1.00 4.13 H new ATOM 0 HB3 HIS A 75 21.654 30.800 -2.039 1.00 4.13 H new ATOM 0 HD2 HIS A 75 22.432 29.492 1.622 1.00 41.04 H new ATOM 0 HE1 HIS A 75 25.011 32.731 0.742 1.00 21.14 H new ATOM 0 HE2 HIS A 75 24.429 30.936 2.441 1.00 20.43 H new ATOM 1221 N HIS A 76 20.316 33.038 0.431 1.00 42.12 N ATOM 1222 CA HIS A 76 20.452 34.498 0.527 1.00 64.04 C ATOM 1223 C HIS A 76 21.638 34.829 1.437 1.00 75.21 C ATOM 1224 O HIS A 76 22.509 35.615 1.054 1.00 65.53 O ATOM 1225 CB HIS A 76 19.150 35.148 1.066 1.00 3.04 C ATOM 1226 CG HIS A 76 19.247 36.646 1.297 1.00 42.05 C ATOM 1227 ND1 HIS A 76 19.470 37.211 2.541 1.00 24.31 N ATOM 1228 CD2 HIS A 76 19.161 37.691 0.433 1.00 13.14 C ATOM 1229 CE1 HIS A 76 19.512 38.527 2.421 1.00 52.52 C ATOM 1230 NE2 HIS A 76 19.329 38.840 1.159 1.00 12.12 N ATOM 0 H HIS A 76 20.572 32.550 1.289 1.00 42.12 H new ATOM 0 HA HIS A 76 20.630 34.905 -0.468 1.00 64.04 H new ATOM 0 HB2 HIS A 76 18.342 34.953 0.361 1.00 3.04 H new ATOM 0 HB3 HIS A 76 18.878 34.665 2.004 1.00 3.04 H new ATOM 0 HD2 HIS A 76 18.991 37.627 -0.632 1.00 13.14 H new ATOM 0 HE1 HIS A 76 19.670 39.228 3.227 1.00 52.52 H new ATOM 0 HE2 HIS A 76 19.314 39.787 0.780 1.00 12.12 H new ATOM 1239 N HIS A 77 21.645 34.180 2.626 1.00 31.12 N ATOM 1240 CA HIS A 77 22.565 34.457 3.749 1.00 2.15 C ATOM 1241 C HIS A 77 22.113 35.760 4.459 1.00 41.30 C ATOM 1242 O HIS A 77 22.446 36.868 3.985 1.00 23.13 O ATOM 1243 CB HIS A 77 24.065 34.494 3.306 1.00 11.13 C ATOM 1244 CG HIS A 77 25.066 34.714 4.413 1.00 22.24 C ATOM 1245 ND1 HIS A 77 25.592 33.684 5.161 1.00 12.03 N ATOM 1246 CD2 HIS A 77 25.663 35.841 4.872 1.00 13.54 C ATOM 1247 CE1 HIS A 77 26.459 34.169 6.026 1.00 3.04 C ATOM 1248 NE2 HIS A 77 26.523 35.474 5.872 1.00 23.14 N ATOM 1249 OXT HIS A 77 21.394 35.675 5.474 1.00 37.04 O ATOM 0 H HIS A 77 20.989 33.427 2.834 1.00 31.12 H new ATOM 0 HA HIS A 77 22.510 33.634 4.461 1.00 2.15 H new ATOM 0 HB2 HIS A 77 24.302 33.554 2.808 1.00 11.13 H new ATOM 0 HB3 HIS A 77 24.188 35.286 2.567 1.00 11.13 H new ATOM 0 HD2 HIS A 77 25.492 36.845 4.514 1.00 13.54 H new ATOM 0 HE1 HIS A 77 27.024 33.591 6.743 1.00 3.04 H new ATOM 0 HE2 HIS A 77 27.115 36.108 6.409 1.00 23.14 H new TER 1258 HIS A 77