USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 608 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 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 21 MET CE :methyl 167:sc= -1.97 (180deg=-0.0568) USER MOD Set 2.2: A 35 HIS : no HD1:sc= -6.73! C(o=-8.7!,f=-9.7!) USER MOD Single : A 1 MET CE :methyl -162:sc= -0.0489 (180deg=-0.503) USER MOD Single : A 1 MET N :NH3+ 174:sc= -0.589 (180deg=-0.679) USER MOD Single : A 3 LYS NZ :NH3+ 163:sc=-0.00725 (180deg=-0.22) USER MOD Single : A 4 LYS NZ :NH3+ -133:sc= -1.88 (180deg=-4.13!) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0162 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.186 X(o=-0.19,f=-0.033) USER MOD Single : A 23 LYS NZ :NH3+ 143:sc= -0.803 (180deg=-2.17!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.65! X(o=-0.65!,f=-1.1) USER MOD Single : A 30 HIS : no HD1:sc= -3.52! C(o=-3.5!,f=-4.3!) USER MOD Single : A 34 CYS SG : rot 12:sc= -2.46! USER MOD Single : A 37 SER OG : rot -160:sc= -0.217 USER MOD Single : A 39 LYS NZ :NH3+ -97:sc= -0.453 (180deg=-1.79!) USER MOD Single : A 42 MET CE :methyl -163:sc= -0.155 (180deg=-0.81) USER MOD Single : A 43 ASN : amide:sc= -0.302 X(o=-0.3,f=-0.052) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0.0165 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -16:sc= 0.766 USER MOD Single : A 72 LYS NZ :NH3+ 165:sc= -0.344 (180deg=-1.11) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.235 4.764 20.947 1.00 0.00 N ATOM 2 CA MET A 1 5.341 3.878 20.512 1.00 0.00 C ATOM 3 C MET A 1 6.190 4.579 19.463 1.00 0.00 C ATOM 4 O MET A 1 6.841 3.941 18.660 1.00 0.00 O ATOM 5 CB MET A 1 4.770 2.591 19.900 1.00 0.00 C ATOM 6 CG MET A 1 4.208 1.714 21.018 1.00 0.00 C ATOM 7 SD MET A 1 5.395 0.974 22.167 1.00 0.00 S ATOM 8 CE MET A 1 6.207 -0.123 20.977 1.00 0.00 C ATOM 0 H1 MET A 1 3.603 4.242 21.586 1.00 0.00 H new ATOM 0 H2 MET A 1 4.626 5.589 21.445 1.00 0.00 H new ATOM 0 H3 MET A 1 3.699 5.084 20.115 1.00 0.00 H new ATOM 0 HA MET A 1 5.953 3.637 21.381 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.987 2.832 19.181 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.548 2.055 19.357 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.506 2.314 21.597 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.635 0.908 20.559 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.752 -0.901 21.512 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.456 -0.583 20.335 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.903 0.453 20.367 1.00 0.00 H new ATOM 17 N ALA A 2 6.169 5.883 19.487 1.00 0.00 N ATOM 18 CA ALA A 2 6.971 6.639 18.498 1.00 0.00 C ATOM 19 C ALA A 2 8.385 6.858 19.012 1.00 0.00 C ATOM 20 O ALA A 2 9.335 6.834 18.256 1.00 0.00 O ATOM 21 CB ALA A 2 6.304 8.004 18.275 1.00 0.00 C ATOM 0 H ALA A 2 5.634 6.450 20.145 1.00 0.00 H new ATOM 0 HA ALA A 2 7.021 6.074 17.567 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.881 8.576 17.549 1.00 0.00 H new ATOM 0 HB2 ALA A 2 5.291 7.857 17.900 1.00 0.00 H new ATOM 0 HB3 ALA A 2 6.266 8.549 19.218 1.00 0.00 H new ATOM 27 N LYS A 3 8.499 7.068 20.295 1.00 0.00 N ATOM 28 CA LYS A 3 9.842 7.291 20.878 1.00 0.00 C ATOM 29 C LYS A 3 10.472 5.968 21.297 1.00 0.00 C ATOM 30 O LYS A 3 11.313 5.431 20.605 1.00 0.00 O ATOM 31 CB LYS A 3 9.687 8.180 22.122 1.00 0.00 C ATOM 32 CG LYS A 3 9.419 9.619 21.679 1.00 0.00 C ATOM 33 CD LYS A 3 10.678 10.457 21.903 1.00 0.00 C ATOM 34 CE LYS A 3 10.369 11.921 21.584 1.00 0.00 C ATOM 35 NZ LYS A 3 9.503 12.516 22.642 1.00 0.00 N ATOM 0 H LYS A 3 7.723 7.094 20.957 1.00 0.00 H new ATOM 0 HA LYS A 3 10.482 7.765 20.134 1.00 0.00 H new ATOM 0 HB2 LYS A 3 8.867 7.819 22.742 1.00 0.00 H new ATOM 0 HB3 LYS A 3 10.590 8.136 22.730 1.00 0.00 H new ATOM 0 HG2 LYS A 3 9.135 9.641 20.627 1.00 0.00 H new ATOM 0 HG3 LYS A 3 8.585 10.036 22.243 1.00 0.00 H new ATOM 0 HD2 LYS A 3 11.015 10.360 22.935 1.00 0.00 H new ATOM 0 HD3 LYS A 3 11.487 10.097 21.268 1.00 0.00 H new ATOM 0 HE2 LYS A 3 11.298 12.486 21.506 1.00 0.00 H new ATOM 0 HE3 LYS A 3 9.871 11.991 20.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 9.537 13.553 22.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 8.523 12.192 22.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 9.844 12.218 23.578 1.00 0.00 H new ATOM 49 N LYS A 4 10.050 5.467 22.426 1.00 0.00 N ATOM 50 CA LYS A 4 10.609 4.181 22.907 1.00 0.00 C ATOM 51 C LYS A 4 9.552 3.388 23.665 1.00 0.00 C ATOM 52 O LYS A 4 8.408 3.792 23.744 1.00 0.00 O ATOM 53 CB LYS A 4 11.782 4.483 23.855 1.00 0.00 C ATOM 54 CG LYS A 4 12.990 3.639 23.440 1.00 0.00 C ATOM 55 CD LYS A 4 14.244 4.174 24.137 1.00 0.00 C ATOM 56 CE LYS A 4 14.015 4.182 25.650 1.00 0.00 C ATOM 57 NZ LYS A 4 13.311 5.427 26.065 1.00 0.00 N ATOM 0 H LYS A 4 9.347 5.893 23.030 1.00 0.00 H new ATOM 0 HA LYS A 4 10.943 3.593 22.052 1.00 0.00 H new ATOM 0 HB2 LYS A 4 12.033 5.543 23.817 1.00 0.00 H new ATOM 0 HB3 LYS A 4 11.502 4.258 24.884 1.00 0.00 H new ATOM 0 HG2 LYS A 4 12.828 2.595 23.708 1.00 0.00 H new ATOM 0 HG3 LYS A 4 13.118 3.674 22.358 1.00 0.00 H new ATOM 0 HD2 LYS A 4 15.105 3.552 23.891 1.00 0.00 H new ATOM 0 HD3 LYS A 4 14.468 5.181 23.786 1.00 0.00 H new ATOM 0 HE2 LYS A 4 13.427 3.311 25.939 1.00 0.00 H new ATOM 0 HE3 LYS A 4 14.971 4.108 26.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 13.790 5.838 26.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 13.325 6.111 25.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 12.326 5.203 26.312 1.00 0.00 H new ATOM 71 N ASP A 5 9.949 2.270 24.207 1.00 0.00 N ATOM 72 CA ASP A 5 8.977 1.443 24.961 1.00 0.00 C ATOM 73 C ASP A 5 8.851 1.938 26.395 1.00 0.00 C ATOM 74 O ASP A 5 9.761 1.795 27.187 1.00 0.00 O ATOM 75 CB ASP A 5 9.482 -0.009 24.979 1.00 0.00 C ATOM 76 CG ASP A 5 11.008 -0.013 25.098 1.00 0.00 C ATOM 77 OD1 ASP A 5 11.463 -0.163 26.221 1.00 0.00 O ATOM 78 OD2 ASP A 5 11.631 0.136 24.061 1.00 0.00 O ATOM 0 H ASP A 5 10.898 1.899 24.159 1.00 0.00 H new ATOM 0 HA ASP A 5 8.001 1.509 24.479 1.00 0.00 H new ATOM 0 HB2 ASP A 5 9.039 -0.550 25.815 1.00 0.00 H new ATOM 0 HB3 ASP A 5 9.175 -0.524 24.069 1.00 0.00 H new ATOM 83 N VAL A 6 7.724 2.519 26.703 1.00 0.00 N ATOM 84 CA VAL A 6 7.520 3.031 28.081 1.00 0.00 C ATOM 85 C VAL A 6 6.049 2.976 28.467 1.00 0.00 C ATOM 86 O VAL A 6 5.189 2.844 27.619 1.00 0.00 O ATOM 87 CB VAL A 6 7.985 4.498 28.126 1.00 0.00 C ATOM 88 CG1 VAL A 6 9.500 4.544 28.332 1.00 0.00 C ATOM 89 CG2 VAL A 6 7.635 5.180 26.801 1.00 0.00 C ATOM 0 H VAL A 6 6.942 2.659 26.063 1.00 0.00 H new ATOM 0 HA VAL A 6 8.088 2.414 28.777 1.00 0.00 H new ATOM 0 HB VAL A 6 7.488 5.014 28.948 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.831 5.582 28.364 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.755 4.052 29.271 1.00 0.00 H new ATOM 0 HG13 VAL A 6 9.995 4.030 27.508 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.963 6.219 26.829 1.00 0.00 H new ATOM 0 HG22 VAL A 6 8.136 4.663 25.982 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.557 5.144 26.647 1.00 0.00 H new ATOM 99 N ILE A 7 5.786 3.081 29.745 1.00 0.00 N ATOM 100 CA ILE A 7 4.374 3.039 30.210 1.00 0.00 C ATOM 101 C ILE A 7 3.845 4.449 30.433 1.00 0.00 C ATOM 102 O ILE A 7 4.172 5.090 31.411 1.00 0.00 O ATOM 103 CB ILE A 7 4.320 2.278 31.537 1.00 0.00 C ATOM 104 CG1 ILE A 7 5.194 1.033 31.460 1.00 0.00 C ATOM 105 CG2 ILE A 7 2.864 1.841 31.793 1.00 0.00 C ATOM 106 CD1 ILE A 7 4.862 0.258 30.183 1.00 0.00 C ATOM 0 H ILE A 7 6.485 3.193 30.479 1.00 0.00 H new ATOM 0 HA ILE A 7 3.763 2.546 29.454 1.00 0.00 H new ATOM 0 HB ILE A 7 4.678 2.923 32.340 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.247 1.314 31.465 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.028 0.404 32.334 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.808 1.297 32.736 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.223 2.721 31.844 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.530 1.195 30.981 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.486 -0.634 30.126 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.812 -0.035 30.198 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.051 0.889 29.315 1.00 0.00 H new ATOM 118 N GLU A 8 3.036 4.907 29.519 1.00 0.00 N ATOM 119 CA GLU A 8 2.475 6.272 29.659 1.00 0.00 C ATOM 120 C GLU A 8 1.410 6.315 30.746 1.00 0.00 C ATOM 121 O GLU A 8 0.355 5.727 30.607 1.00 0.00 O ATOM 122 CB GLU A 8 1.833 6.672 28.321 1.00 0.00 C ATOM 123 CG GLU A 8 2.832 6.419 27.189 1.00 0.00 C ATOM 124 CD GLU A 8 3.808 7.592 27.106 1.00 0.00 C ATOM 125 OE1 GLU A 8 4.626 7.554 26.201 1.00 0.00 O ATOM 126 OE2 GLU A 8 3.682 8.462 27.951 1.00 0.00 O ATOM 0 H GLU A 8 2.742 4.396 28.687 1.00 0.00 H new ATOM 0 HA GLU A 8 3.277 6.958 29.931 1.00 0.00 H new ATOM 0 HB2 GLU A 8 0.922 6.097 28.154 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.546 7.723 28.341 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.375 5.491 27.368 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.305 6.302 26.242 1.00 0.00 H new ATOM 133 N LEU A 9 1.713 7.011 31.811 1.00 0.00 N ATOM 134 CA LEU A 9 0.740 7.114 32.929 1.00 0.00 C ATOM 135 C LEU A 9 0.681 8.542 33.449 1.00 0.00 C ATOM 136 O LEU A 9 1.700 9.180 33.623 1.00 0.00 O ATOM 137 CB LEU A 9 1.211 6.197 34.067 1.00 0.00 C ATOM 138 CG LEU A 9 0.452 4.873 33.992 1.00 0.00 C ATOM 139 CD1 LEU A 9 1.249 3.794 34.726 1.00 0.00 C ATOM 140 CD2 LEU A 9 -0.911 5.037 34.664 1.00 0.00 C ATOM 0 H LEU A 9 2.591 7.510 31.951 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.249 6.822 32.575 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.284 6.020 33.987 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.038 6.675 35.031 1.00 0.00 H new ATOM 0 HG LEU A 9 0.316 4.584 32.950 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.712 2.847 34.675 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.227 3.682 34.257 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.378 4.083 35.769 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.457 4.095 34.613 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.771 5.320 35.707 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.478 5.813 34.151 1.00 0.00 H new ATOM 152 N GLU A 10 -0.508 9.020 33.687 1.00 0.00 N ATOM 153 CA GLU A 10 -0.643 10.391 34.190 1.00 0.00 C ATOM 154 C GLU A 10 -0.655 10.402 35.708 1.00 0.00 C ATOM 155 O GLU A 10 -1.243 9.539 36.327 1.00 0.00 O ATOM 156 CB GLU A 10 -1.965 10.960 33.670 1.00 0.00 C ATOM 157 CG GLU A 10 -2.289 12.218 34.448 1.00 0.00 C ATOM 158 CD GLU A 10 -3.504 12.906 33.822 1.00 0.00 C ATOM 159 OE1 GLU A 10 -4.581 12.359 33.988 1.00 0.00 O ATOM 160 OE2 GLU A 10 -3.286 13.941 33.214 1.00 0.00 O ATOM 0 H GLU A 10 -1.383 8.513 33.552 1.00 0.00 H new ATOM 0 HA GLU A 10 0.200 10.992 33.847 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.888 11.183 32.606 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.764 10.227 33.786 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.494 11.971 35.490 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.433 12.893 34.443 1.00 0.00 H new ATOM 167 N GLY A 11 -0.008 11.388 36.287 1.00 0.00 N ATOM 168 CA GLY A 11 0.025 11.463 37.773 1.00 0.00 C ATOM 169 C GLY A 11 -0.087 12.910 38.224 1.00 0.00 C ATOM 170 O GLY A 11 -0.422 13.779 37.441 1.00 0.00 O ATOM 0 H GLY A 11 0.490 12.131 35.798 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -0.794 10.878 38.193 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.952 11.028 38.147 1.00 0.00 H new ATOM 174 N THR A 12 0.192 13.141 39.478 1.00 0.00 N ATOM 175 CA THR A 12 0.110 14.523 40.003 1.00 0.00 C ATOM 176 C THR A 12 1.289 14.819 40.903 1.00 0.00 C ATOM 177 O THR A 12 1.573 14.079 41.821 1.00 0.00 O ATOM 178 CB THR A 12 -1.180 14.665 40.812 1.00 0.00 C ATOM 179 OG1 THR A 12 -2.217 14.276 39.935 1.00 0.00 O ATOM 180 CG2 THR A 12 -1.469 16.140 41.124 1.00 0.00 C ATOM 0 H THR A 12 0.472 12.432 40.156 1.00 0.00 H new ATOM 0 HA THR A 12 0.119 15.223 39.168 1.00 0.00 H new ATOM 0 HB THR A 12 -1.103 14.088 41.734 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.079 14.343 40.397 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.391 16.216 41.700 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.645 16.558 41.702 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.577 16.695 40.192 1.00 0.00 H new ATOM 188 N VAL A 13 1.948 15.909 40.635 1.00 0.00 N ATOM 189 CA VAL A 13 3.125 16.272 41.473 1.00 0.00 C ATOM 190 C VAL A 13 2.738 16.446 42.928 1.00 0.00 C ATOM 191 O VAL A 13 1.791 17.144 43.243 1.00 0.00 O ATOM 192 CB VAL A 13 3.711 17.586 40.955 1.00 0.00 C ATOM 193 CG1 VAL A 13 4.869 18.015 41.860 1.00 0.00 C ATOM 194 CG2 VAL A 13 4.235 17.369 39.540 1.00 0.00 C ATOM 0 H VAL A 13 1.727 16.559 39.881 1.00 0.00 H new ATOM 0 HA VAL A 13 3.856 15.466 41.408 1.00 0.00 H new ATOM 0 HB VAL A 13 2.943 18.359 40.953 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.289 18.952 41.494 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.503 18.155 42.877 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.640 17.245 41.854 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.655 18.300 39.161 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.008 16.601 39.552 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.417 17.051 38.894 1.00 0.00 H new ATOM 204 N SER A 14 3.493 15.799 43.794 1.00 0.00 N ATOM 205 CA SER A 14 3.203 15.897 45.251 1.00 0.00 C ATOM 206 C SER A 14 4.391 16.463 46.040 1.00 0.00 C ATOM 207 O SER A 14 4.196 17.141 47.031 1.00 0.00 O ATOM 208 CB SER A 14 2.907 14.482 45.769 1.00 0.00 C ATOM 209 OG SER A 14 2.710 14.655 47.164 1.00 0.00 O ATOM 0 H SER A 14 4.291 15.213 43.548 1.00 0.00 H new ATOM 0 HA SER A 14 2.357 16.571 45.389 1.00 0.00 H new ATOM 0 HB2 SER A 14 2.023 14.060 45.291 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.734 13.802 45.565 1.00 0.00 H new ATOM 0 HG SER A 14 2.512 13.788 47.576 1.00 0.00 H new ATOM 215 N GLU A 15 5.601 16.181 45.594 1.00 0.00 N ATOM 216 CA GLU A 15 6.789 16.711 46.332 1.00 0.00 C ATOM 217 C GLU A 15 7.891 17.154 45.376 1.00 0.00 C ATOM 218 O GLU A 15 7.979 16.684 44.259 1.00 0.00 O ATOM 219 CB GLU A 15 7.338 15.590 47.228 1.00 0.00 C ATOM 220 CG GLU A 15 8.326 16.185 48.231 1.00 0.00 C ATOM 221 CD GLU A 15 8.546 15.188 49.371 1.00 0.00 C ATOM 222 OE1 GLU A 15 7.604 14.466 49.647 1.00 0.00 O ATOM 223 OE2 GLU A 15 9.646 15.206 49.900 1.00 0.00 O ATOM 0 H GLU A 15 5.809 15.619 44.769 1.00 0.00 H new ATOM 0 HA GLU A 15 6.477 17.576 46.918 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.521 15.096 47.754 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.831 14.831 46.620 1.00 0.00 H new ATOM 0 HG2 GLU A 15 9.273 16.408 47.739 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.942 17.126 48.624 1.00 0.00 H new ATOM 230 N ALA A 16 8.722 18.056 45.841 1.00 0.00 N ATOM 231 CA ALA A 16 9.829 18.549 44.983 1.00 0.00 C ATOM 232 C ALA A 16 11.109 17.761 45.238 1.00 0.00 C ATOM 233 O ALA A 16 11.551 17.648 46.365 1.00 0.00 O ATOM 234 CB ALA A 16 10.079 20.028 45.322 1.00 0.00 C ATOM 0 H ALA A 16 8.677 18.466 46.774 1.00 0.00 H new ATOM 0 HA ALA A 16 9.551 18.427 43.936 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.890 20.411 44.702 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.173 20.603 45.131 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.352 20.119 46.373 1.00 0.00 H new ATOM 240 N LEU A 17 11.685 17.233 44.176 1.00 0.00 N ATOM 241 CA LEU A 17 12.943 16.442 44.330 1.00 0.00 C ATOM 242 C LEU A 17 14.135 17.140 43.637 1.00 0.00 C ATOM 243 O LEU A 17 13.980 17.758 42.605 1.00 0.00 O ATOM 244 CB LEU A 17 12.729 15.076 43.657 1.00 0.00 C ATOM 245 CG LEU A 17 11.641 14.310 44.411 1.00 0.00 C ATOM 246 CD1 LEU A 17 11.335 13.003 43.672 1.00 0.00 C ATOM 247 CD2 LEU A 17 12.138 13.988 45.820 1.00 0.00 C ATOM 0 H LEU A 17 11.338 17.318 43.221 1.00 0.00 H new ATOM 0 HA LEU A 17 13.168 16.342 45.392 1.00 0.00 H new ATOM 0 HB2 LEU A 17 12.439 15.212 42.615 1.00 0.00 H new ATOM 0 HB3 LEU A 17 13.659 14.507 43.658 1.00 0.00 H new ATOM 0 HG LEU A 17 10.738 14.917 44.469 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.560 12.455 44.208 1.00 0.00 H new ATOM 0 HD12 LEU A 17 10.989 13.228 42.663 1.00 0.00 H new ATOM 0 HD13 LEU A 17 12.238 12.395 43.619 1.00 0.00 H new ATOM 0 HD21 LEU A 17 11.366 13.442 46.362 1.00 0.00 H new ATOM 0 HD22 LEU A 17 13.039 13.377 45.757 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.364 14.915 46.347 1.00 0.00 H new ATOM 259 N PRO A 18 15.314 17.030 44.234 1.00 0.00 N ATOM 260 CA PRO A 18 16.516 17.646 43.673 1.00 0.00 C ATOM 261 C PRO A 18 16.891 17.024 42.331 1.00 0.00 C ATOM 262 O PRO A 18 16.414 15.964 41.979 1.00 0.00 O ATOM 263 CB PRO A 18 17.632 17.338 44.694 1.00 0.00 C ATOM 264 CG PRO A 18 17.026 16.383 45.766 1.00 0.00 C ATOM 265 CD PRO A 18 15.515 16.313 45.505 1.00 0.00 C ATOM 0 HA PRO A 18 16.364 18.712 43.501 1.00 0.00 H new ATOM 0 HB2 PRO A 18 18.485 16.872 44.202 1.00 0.00 H new ATOM 0 HB3 PRO A 18 17.994 18.256 45.157 1.00 0.00 H new ATOM 0 HG2 PRO A 18 17.475 15.392 45.697 1.00 0.00 H new ATOM 0 HG3 PRO A 18 17.227 16.755 46.771 1.00 0.00 H new ATOM 0 HD2 PRO A 18 15.174 15.280 45.434 1.00 0.00 H new ATOM 0 HD3 PRO A 18 14.953 16.779 46.314 1.00 0.00 H new ATOM 273 N ASN A 19 17.743 17.705 41.612 1.00 0.00 N ATOM 274 CA ASN A 19 18.183 17.194 40.286 1.00 0.00 C ATOM 275 C ASN A 19 17.115 17.390 39.205 1.00 0.00 C ATOM 276 O ASN A 19 16.984 16.581 38.308 1.00 0.00 O ATOM 277 CB ASN A 19 18.495 15.697 40.417 1.00 0.00 C ATOM 278 CG ASN A 19 19.771 15.376 39.635 1.00 0.00 C ATOM 279 OD1 ASN A 19 19.794 14.500 38.796 1.00 0.00 O ATOM 280 ND2 ASN A 19 20.852 16.065 39.880 1.00 0.00 N ATOM 0 H ASN A 19 18.153 18.597 41.889 1.00 0.00 H new ATOM 0 HA ASN A 19 19.066 17.757 39.983 1.00 0.00 H new ATOM 0 HB2 ASN A 19 18.621 15.431 41.466 1.00 0.00 H new ATOM 0 HB3 ASN A 19 17.663 15.106 40.036 1.00 0.00 H new ATOM 0 HD21 ASN A 19 21.711 15.866 39.367 1.00 0.00 H new ATOM 0 HD22 ASN A 19 20.838 16.803 40.584 1.00 0.00 H new ATOM 287 N ALA A 20 16.381 18.463 39.310 1.00 0.00 N ATOM 288 CA ALA A 20 15.315 18.741 38.299 1.00 0.00 C ATOM 289 C ALA A 20 14.291 17.608 38.209 1.00 0.00 C ATOM 290 O ALA A 20 14.124 17.001 37.166 1.00 0.00 O ATOM 291 CB ALA A 20 15.982 18.911 36.922 1.00 0.00 C ATOM 0 H ALA A 20 16.471 19.160 40.049 1.00 0.00 H new ATOM 0 HA ALA A 20 14.787 19.644 38.606 1.00 0.00 H new ATOM 0 HB1 ALA A 20 15.219 19.115 36.171 1.00 0.00 H new ATOM 0 HB2 ALA A 20 16.686 19.742 36.959 1.00 0.00 H new ATOM 0 HB3 ALA A 20 16.514 17.996 36.660 1.00 0.00 H new ATOM 297 N MET A 21 13.619 17.351 39.299 1.00 0.00 N ATOM 298 CA MET A 21 12.609 16.280 39.304 1.00 0.00 C ATOM 299 C MET A 21 11.689 16.454 40.497 1.00 0.00 C ATOM 300 O MET A 21 11.888 17.322 41.316 1.00 0.00 O ATOM 301 CB MET A 21 13.300 14.899 39.398 1.00 0.00 C ATOM 302 CG MET A 21 14.528 14.980 40.309 1.00 0.00 C ATOM 303 SD MET A 21 15.712 13.604 40.236 1.00 0.00 S ATOM 304 CE MET A 21 14.590 12.272 40.727 1.00 0.00 C ATOM 0 H MET A 21 13.734 17.844 40.184 1.00 0.00 H new ATOM 0 HA MET A 21 12.033 16.335 38.380 1.00 0.00 H new ATOM 0 HB2 MET A 21 12.599 14.160 39.786 1.00 0.00 H new ATOM 0 HB3 MET A 21 13.598 14.565 38.404 1.00 0.00 H new ATOM 0 HG2 MET A 21 15.064 15.899 40.072 1.00 0.00 H new ATOM 0 HG3 MET A 21 14.179 15.071 41.338 1.00 0.00 H new ATOM 0 HE1 MET A 21 15.058 11.309 40.524 1.00 0.00 H new ATOM 0 HE2 MET A 21 14.373 12.353 41.792 1.00 0.00 H new ATOM 0 HE3 MET A 21 13.662 12.351 40.161 1.00 0.00 H new ATOM 314 N PHE A 22 10.696 15.644 40.563 1.00 0.00 N ATOM 315 CA PHE A 22 9.751 15.749 41.696 1.00 0.00 C ATOM 316 C PHE A 22 8.936 14.473 41.870 1.00 0.00 C ATOM 317 O PHE A 22 8.847 13.657 40.976 1.00 0.00 O ATOM 318 CB PHE A 22 8.776 16.910 41.424 1.00 0.00 C ATOM 319 CG PHE A 22 8.722 17.234 39.927 1.00 0.00 C ATOM 320 CD1 PHE A 22 8.839 16.240 38.967 1.00 0.00 C ATOM 321 CD2 PHE A 22 8.531 18.541 39.515 1.00 0.00 C ATOM 322 CE1 PHE A 22 8.767 16.555 37.631 1.00 0.00 C ATOM 323 CE2 PHE A 22 8.456 18.848 38.178 1.00 0.00 C ATOM 324 CZ PHE A 22 8.571 17.858 37.237 1.00 0.00 C ATOM 0 H PHE A 22 10.490 14.910 39.885 1.00 0.00 H new ATOM 0 HA PHE A 22 10.330 15.918 42.604 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.780 16.646 41.780 1.00 0.00 H new ATOM 0 HB3 PHE A 22 9.090 17.793 41.981 1.00 0.00 H new ATOM 0 HD1 PHE A 22 8.987 15.214 39.270 1.00 0.00 H new ATOM 0 HD2 PHE A 22 8.440 19.326 40.251 1.00 0.00 H new ATOM 0 HE1 PHE A 22 8.865 15.777 36.888 1.00 0.00 H new ATOM 0 HE2 PHE A 22 8.306 19.872 37.868 1.00 0.00 H new ATOM 0 HZ PHE A 22 8.508 18.101 36.187 1.00 0.00 H new ATOM 334 N LYS A 23 8.363 14.317 43.032 1.00 0.00 N ATOM 335 CA LYS A 23 7.555 13.110 43.279 1.00 0.00 C ATOM 336 C LYS A 23 6.147 13.327 42.760 1.00 0.00 C ATOM 337 O LYS A 23 5.587 14.394 42.930 1.00 0.00 O ATOM 338 CB LYS A 23 7.492 12.854 44.790 1.00 0.00 C ATOM 339 CG LYS A 23 7.061 11.407 45.030 1.00 0.00 C ATOM 340 CD LYS A 23 6.839 11.191 46.529 1.00 0.00 C ATOM 341 CE LYS A 23 8.190 11.216 47.246 1.00 0.00 C ATOM 342 NZ LYS A 23 8.408 12.538 47.899 1.00 0.00 N ATOM 0 H LYS A 23 8.424 14.973 43.811 1.00 0.00 H new ATOM 0 HA LYS A 23 8.006 12.258 42.770 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.466 13.037 45.244 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.787 13.540 45.259 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.145 11.192 44.480 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.824 10.722 44.660 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.188 11.968 46.928 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.340 10.237 46.701 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.227 10.424 47.994 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.991 11.019 46.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.897 12.400 48.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.989 13.139 47.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.490 12.998 48.066 1.00 0.00 H new ATOM 356 N VAL A 24 5.603 12.317 42.135 1.00 0.00 N ATOM 357 CA VAL A 24 4.222 12.445 41.591 1.00 0.00 C ATOM 358 C VAL A 24 3.335 11.308 42.071 1.00 0.00 C ATOM 359 O VAL A 24 3.708 10.153 42.002 1.00 0.00 O ATOM 360 CB VAL A 24 4.308 12.394 40.049 1.00 0.00 C ATOM 361 CG1 VAL A 24 3.048 11.725 39.476 1.00 0.00 C ATOM 362 CG2 VAL A 24 4.408 13.817 39.499 1.00 0.00 C ATOM 0 H VAL A 24 6.053 11.415 41.979 1.00 0.00 H new ATOM 0 HA VAL A 24 3.790 13.385 41.935 1.00 0.00 H new ATOM 0 HB VAL A 24 5.188 11.819 39.760 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.116 11.693 38.389 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.966 10.710 39.865 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.167 12.297 39.768 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.469 13.783 38.411 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.526 14.385 39.796 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.301 14.299 39.897 1.00 0.00 H new ATOM 372 N LYS A 25 2.172 11.662 42.549 1.00 0.00 N ATOM 373 CA LYS A 25 1.240 10.617 43.038 1.00 0.00 C ATOM 374 C LYS A 25 0.233 10.274 41.956 1.00 0.00 C ATOM 375 O LYS A 25 -0.468 11.134 41.460 1.00 0.00 O ATOM 376 CB LYS A 25 0.476 11.148 44.255 1.00 0.00 C ATOM 377 CG LYS A 25 1.362 11.056 45.494 1.00 0.00 C ATOM 378 CD LYS A 25 0.475 11.065 46.740 1.00 0.00 C ATOM 379 CE LYS A 25 1.280 10.559 47.935 1.00 0.00 C ATOM 380 NZ LYS A 25 0.582 10.892 49.209 1.00 0.00 N ATOM 0 H LYS A 25 1.833 12.621 42.620 1.00 0.00 H new ATOM 0 HA LYS A 25 1.814 9.730 43.305 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.176 12.182 44.086 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.437 10.571 44.404 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.959 10.145 45.463 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.059 11.893 45.522 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.110 12.074 46.933 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.400 10.434 46.583 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.417 9.480 47.859 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.273 11.008 47.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.141 10.542 50.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.473 11.923 49.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.356 10.443 49.218 1.00 0.00 H new ATOM 394 N LEU A 26 0.174 9.029 41.608 1.00 0.00 N ATOM 395 CA LEU A 26 -0.773 8.613 40.566 1.00 0.00 C ATOM 396 C LEU A 26 -2.201 8.598 41.088 1.00 0.00 C ATOM 397 O LEU A 26 -2.436 8.467 42.273 1.00 0.00 O ATOM 398 CB LEU A 26 -0.382 7.205 40.113 1.00 0.00 C ATOM 399 CG LEU A 26 0.829 7.315 39.187 1.00 0.00 C ATOM 400 CD1 LEU A 26 1.434 5.937 38.968 1.00 0.00 C ATOM 401 CD2 LEU A 26 0.381 7.878 37.850 1.00 0.00 C ATOM 0 H LEU A 26 0.745 8.282 42.004 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.731 9.321 39.738 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.145 6.581 40.975 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.214 6.729 39.594 1.00 0.00 H new ATOM 0 HG LEU A 26 1.573 7.971 39.639 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.297 6.019 38.307 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.748 5.521 39.925 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.691 5.281 38.514 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.240 7.960 37.183 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.361 7.215 37.406 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.058 8.865 37.999 1.00 0.00 H new ATOM 413 N GLU A 27 -3.128 8.727 40.186 1.00 0.00 N ATOM 414 CA GLU A 27 -4.554 8.727 40.591 1.00 0.00 C ATOM 415 C GLU A 27 -4.847 7.584 41.543 1.00 0.00 C ATOM 416 O GLU A 27 -5.581 7.741 42.499 1.00 0.00 O ATOM 417 CB GLU A 27 -5.416 8.550 39.332 1.00 0.00 C ATOM 418 CG GLU A 27 -5.049 7.229 38.650 1.00 0.00 C ATOM 419 CD GLU A 27 -5.768 7.138 37.302 1.00 0.00 C ATOM 420 OE1 GLU A 27 -5.325 7.834 36.403 1.00 0.00 O ATOM 421 OE2 GLU A 27 -6.720 6.377 37.247 1.00 0.00 O ATOM 0 H GLU A 27 -2.959 8.832 39.186 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.779 9.668 41.094 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.473 8.554 39.597 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.256 9.383 38.647 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.970 7.169 38.504 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.332 6.389 39.284 1.00 0.00 H new ATOM 428 N ASN A 28 -4.273 6.453 41.270 1.00 0.00 N ATOM 429 CA ASN A 28 -4.514 5.296 42.154 1.00 0.00 C ATOM 430 C ASN A 28 -3.890 5.533 43.523 1.00 0.00 C ATOM 431 O ASN A 28 -4.217 4.859 44.480 1.00 0.00 O ATOM 432 CB ASN A 28 -3.877 4.061 41.518 1.00 0.00 C ATOM 433 CG ASN A 28 -4.637 2.813 41.973 1.00 0.00 C ATOM 434 OD1 ASN A 28 -4.755 1.844 41.249 1.00 0.00 O ATOM 435 ND2 ASN A 28 -5.166 2.794 43.167 1.00 0.00 N ATOM 0 H ASN A 28 -3.652 6.283 40.479 1.00 0.00 H new ATOM 0 HA ASN A 28 -5.587 5.153 42.280 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -3.904 4.142 40.431 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.828 3.988 41.806 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -5.674 1.969 43.487 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -5.071 3.604 43.780 1.00 0.00 H new ATOM 442 N GLY A 29 -2.996 6.495 43.587 1.00 0.00 N ATOM 443 CA GLY A 29 -2.329 6.805 44.889 1.00 0.00 C ATOM 444 C GLY A 29 -0.858 6.367 44.881 1.00 0.00 C ATOM 445 O GLY A 29 -0.151 6.575 45.847 1.00 0.00 O ATOM 0 H GLY A 29 -2.703 7.073 42.799 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.391 7.875 45.086 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -2.856 6.301 45.699 1.00 0.00 H new ATOM 449 N HIS A 30 -0.417 5.775 43.799 1.00 0.00 N ATOM 450 CA HIS A 30 1.005 5.336 43.757 1.00 0.00 C ATOM 451 C HIS A 30 1.945 6.509 43.549 1.00 0.00 C ATOM 452 O HIS A 30 1.684 7.390 42.757 1.00 0.00 O ATOM 453 CB HIS A 30 1.176 4.345 42.604 1.00 0.00 C ATOM 454 CG HIS A 30 0.210 3.195 42.814 1.00 0.00 C ATOM 455 ND1 HIS A 30 -0.874 3.074 42.229 1.00 0.00 N ATOM 456 CD2 HIS A 30 0.286 2.123 43.681 1.00 0.00 C ATOM 457 CE1 HIS A 30 -1.503 2.056 42.623 1.00 0.00 C ATOM 458 NE2 HIS A 30 -0.840 1.377 43.557 1.00 0.00 N ATOM 0 H HIS A 30 -0.968 5.581 42.963 1.00 0.00 H new ATOM 0 HA HIS A 30 1.253 4.871 44.711 1.00 0.00 H new ATOM 0 HB2 HIS A 30 0.980 4.835 41.650 1.00 0.00 H new ATOM 0 HB3 HIS A 30 2.202 3.977 42.569 1.00 0.00 H new ATOM 0 HD2 HIS A 30 1.108 1.913 44.349 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -2.472 1.766 42.245 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -1.107 0.524 44.048 1.00 0.00 H new ATOM 466 N GLU A 31 3.035 6.488 44.273 1.00 0.00 N ATOM 467 CA GLU A 31 4.021 7.576 44.156 1.00 0.00 C ATOM 468 C GLU A 31 5.196 7.166 43.279 1.00 0.00 C ATOM 469 O GLU A 31 5.689 6.059 43.371 1.00 0.00 O ATOM 470 CB GLU A 31 4.549 7.894 45.561 1.00 0.00 C ATOM 471 CG GLU A 31 3.369 8.218 46.480 1.00 0.00 C ATOM 472 CD GLU A 31 3.418 7.307 47.711 1.00 0.00 C ATOM 473 OE1 GLU A 31 4.114 7.687 48.638 1.00 0.00 O ATOM 474 OE2 GLU A 31 2.755 6.285 47.655 1.00 0.00 O ATOM 0 H GLU A 31 3.275 5.755 44.940 1.00 0.00 H new ATOM 0 HA GLU A 31 3.538 8.442 43.703 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.108 7.045 45.953 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.237 8.738 45.522 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.408 9.263 46.786 1.00 0.00 H new ATOM 0 HG3 GLU A 31 2.429 8.077 45.947 1.00 0.00 H new ATOM 481 N ILE A 32 5.622 8.069 42.441 1.00 0.00 N ATOM 482 CA ILE A 32 6.766 7.752 41.547 1.00 0.00 C ATOM 483 C ILE A 32 7.610 8.986 41.287 1.00 0.00 C ATOM 484 O ILE A 32 7.128 10.099 41.360 1.00 0.00 O ATOM 485 CB ILE A 32 6.233 7.243 40.231 1.00 0.00 C ATOM 486 CG1 ILE A 32 5.251 6.106 40.478 1.00 0.00 C ATOM 487 CG2 ILE A 32 7.413 6.711 39.398 1.00 0.00 C ATOM 488 CD1 ILE A 32 4.819 5.509 39.135 1.00 0.00 C ATOM 0 H ILE A 32 5.230 9.005 42.338 1.00 0.00 H new ATOM 0 HA ILE A 32 7.387 6.998 42.031 1.00 0.00 H new ATOM 0 HB ILE A 32 5.725 8.050 39.703 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.714 5.338 41.098 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.381 6.473 41.022 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.045 6.339 38.442 1.00 0.00 H new ATOM 0 HG22 ILE A 32 8.127 7.516 39.223 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.904 5.901 39.938 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.116 4.694 39.308 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.340 6.280 38.531 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.694 5.127 38.608 1.00 0.00 H new ATOM 500 N LEU A 33 8.859 8.768 40.987 1.00 0.00 N ATOM 501 CA LEU A 33 9.748 9.906 40.720 1.00 0.00 C ATOM 502 C LEU A 33 9.743 10.244 39.240 1.00 0.00 C ATOM 503 O LEU A 33 9.847 9.369 38.404 1.00 0.00 O ATOM 504 CB LEU A 33 11.170 9.512 41.143 1.00 0.00 C ATOM 505 CG LEU A 33 11.253 9.511 42.672 1.00 0.00 C ATOM 506 CD1 LEU A 33 10.185 8.568 43.236 1.00 0.00 C ATOM 507 CD2 LEU A 33 12.635 9.015 43.100 1.00 0.00 C ATOM 0 H LEU A 33 9.293 7.847 40.918 1.00 0.00 H new ATOM 0 HA LEU A 33 9.406 10.778 41.278 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.419 8.526 40.752 1.00 0.00 H new ATOM 0 HB3 LEU A 33 11.894 10.212 40.727 1.00 0.00 H new ATOM 0 HG LEU A 33 11.089 10.521 43.049 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.241 8.565 44.325 1.00 0.00 H new ATOM 0 HD12 LEU A 33 9.198 8.909 42.924 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.356 7.559 42.861 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.700 9.012 44.188 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.791 8.004 42.725 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.401 9.675 42.693 1.00 0.00 H new ATOM 519 N CYS A 34 9.618 11.512 38.944 1.00 0.00 N ATOM 520 CA CYS A 34 9.602 11.939 37.521 1.00 0.00 C ATOM 521 C CYS A 34 10.512 13.134 37.301 1.00 0.00 C ATOM 522 O CYS A 34 10.629 13.987 38.158 1.00 0.00 O ATOM 523 CB CYS A 34 8.173 12.357 37.163 1.00 0.00 C ATOM 524 SG CYS A 34 7.201 13.184 38.447 1.00 0.00 S ATOM 0 H CYS A 34 9.527 12.265 39.626 1.00 0.00 H new ATOM 0 HA CYS A 34 9.948 11.112 36.901 1.00 0.00 H new ATOM 0 HB2 CYS A 34 8.222 13.019 36.299 1.00 0.00 H new ATOM 0 HB3 CYS A 34 7.629 11.465 36.851 1.00 0.00 H new ATOM 0 HG CYS A 34 7.979 13.514 39.435 1.00 0.00 H new ATOM 530 N HIS A 35 11.144 13.173 36.153 1.00 0.00 N ATOM 531 CA HIS A 35 12.058 14.310 35.852 1.00 0.00 C ATOM 532 C HIS A 35 11.456 15.226 34.795 1.00 0.00 C ATOM 533 O HIS A 35 10.382 14.964 34.286 1.00 0.00 O ATOM 534 CB HIS A 35 13.381 13.744 35.320 1.00 0.00 C ATOM 535 CG HIS A 35 14.019 12.854 36.390 1.00 0.00 C ATOM 536 ND1 HIS A 35 15.180 12.990 36.829 1.00 0.00 N ATOM 537 CD2 HIS A 35 13.494 11.768 37.068 1.00 0.00 C ATOM 538 CE1 HIS A 35 15.452 12.116 37.705 1.00 0.00 C ATOM 539 NE2 HIS A 35 14.432 11.285 37.929 1.00 0.00 N ATOM 0 H HIS A 35 11.065 12.470 35.418 1.00 0.00 H new ATOM 0 HA HIS A 35 12.217 14.887 36.763 1.00 0.00 H new ATOM 0 HB2 HIS A 35 13.204 13.169 34.411 1.00 0.00 H new ATOM 0 HB3 HIS A 35 14.058 14.557 35.056 1.00 0.00 H new ATOM 0 HD2 HIS A 35 12.500 11.368 36.936 1.00 0.00 H new ATOM 0 HE1 HIS A 35 16.403 12.051 38.213 1.00 0.00 H new ATOM 0 HE2 HIS A 35 14.371 10.497 38.574 1.00 0.00 H new ATOM 547 N ILE A 36 12.170 16.285 34.482 1.00 0.00 N ATOM 548 CA ILE A 36 11.673 17.246 33.463 1.00 0.00 C ATOM 549 C ILE A 36 12.526 17.225 32.204 1.00 0.00 C ATOM 550 O ILE A 36 13.684 16.851 32.239 1.00 0.00 O ATOM 551 CB ILE A 36 11.736 18.637 34.078 1.00 0.00 C ATOM 552 CG1 ILE A 36 10.616 18.781 35.077 1.00 0.00 C ATOM 553 CG2 ILE A 36 11.548 19.689 32.975 1.00 0.00 C ATOM 554 CD1 ILE A 36 10.908 19.978 35.986 1.00 0.00 C ATOM 0 H ILE A 36 13.074 16.518 34.893 1.00 0.00 H new ATOM 0 HA ILE A 36 10.657 16.971 33.179 1.00 0.00 H new ATOM 0 HB ILE A 36 12.700 18.779 34.567 1.00 0.00 H new ATOM 0 HG12 ILE A 36 9.667 18.924 34.560 1.00 0.00 H new ATOM 0 HG13 ILE A 36 10.522 17.872 35.671 1.00 0.00 H new ATOM 0 HG21 ILE A 36 11.593 20.686 33.412 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.339 19.583 32.232 1.00 0.00 H new ATOM 0 HG23 ILE A 36 10.579 19.545 32.497 1.00 0.00 H new ATOM 0 HD11 ILE A 36 10.102 20.089 36.712 1.00 0.00 H new ATOM 0 HD12 ILE A 36 11.849 19.815 36.511 1.00 0.00 H new ATOM 0 HD13 ILE A 36 10.981 20.883 35.383 1.00 0.00 H new ATOM 566 N SER A 37 11.926 17.640 31.110 1.00 0.00 N ATOM 567 CA SER A 37 12.660 17.663 29.828 1.00 0.00 C ATOM 568 C SER A 37 12.996 19.094 29.431 1.00 0.00 C ATOM 569 O SER A 37 12.338 20.027 29.848 1.00 0.00 O ATOM 570 CB SER A 37 11.761 17.045 28.744 1.00 0.00 C ATOM 571 OG SER A 37 11.924 15.644 28.916 1.00 0.00 O ATOM 0 H SER A 37 10.959 17.961 31.063 1.00 0.00 H new ATOM 0 HA SER A 37 13.587 17.100 29.933 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.720 17.344 28.871 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.064 17.362 27.746 1.00 0.00 H new ATOM 0 HG SER A 37 11.654 15.180 28.096 1.00 0.00 H new ATOM 577 N GLY A 38 14.015 19.244 28.637 1.00 0.00 N ATOM 578 CA GLY A 38 14.409 20.612 28.203 1.00 0.00 C ATOM 579 C GLY A 38 13.484 21.116 27.090 1.00 0.00 C ATOM 580 O GLY A 38 13.569 22.258 26.682 1.00 0.00 O ATOM 0 H GLY A 38 14.590 18.485 28.271 1.00 0.00 H new ATOM 0 HA2 GLY A 38 14.369 21.294 29.052 1.00 0.00 H new ATOM 0 HA3 GLY A 38 15.440 20.604 27.850 1.00 0.00 H new ATOM 584 N LYS A 39 12.617 20.257 26.619 1.00 0.00 N ATOM 585 CA LYS A 39 11.698 20.683 25.543 1.00 0.00 C ATOM 586 C LYS A 39 10.612 21.589 26.082 1.00 0.00 C ATOM 587 O LYS A 39 10.471 22.716 25.645 1.00 0.00 O ATOM 588 CB LYS A 39 11.049 19.435 24.923 1.00 0.00 C ATOM 589 CG LYS A 39 12.049 18.767 23.974 1.00 0.00 C ATOM 590 CD LYS A 39 11.279 17.998 22.901 1.00 0.00 C ATOM 591 CE LYS A 39 10.330 17.010 23.581 1.00 0.00 C ATOM 592 NZ LYS A 39 8.956 17.578 23.661 1.00 0.00 N ATOM 0 H LYS A 39 12.512 19.292 26.934 1.00 0.00 H new ATOM 0 HA LYS A 39 12.267 21.234 24.795 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.751 18.738 25.706 1.00 0.00 H new ATOM 0 HB3 LYS A 39 10.144 19.712 24.382 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.689 19.518 23.512 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.700 18.091 24.528 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.716 18.689 22.273 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.972 17.466 22.249 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.311 16.073 23.024 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.693 16.778 24.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.810 18.003 24.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.839 18.307 22.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.258 16.821 23.511 1.00 0.00 H new ATOM 606 N LEU A 40 9.856 21.094 27.010 1.00 0.00 N ATOM 607 CA LEU A 40 8.789 21.937 27.567 1.00 0.00 C ATOM 608 C LEU A 40 9.379 23.243 28.057 1.00 0.00 C ATOM 609 O LEU A 40 8.682 24.226 28.209 1.00 0.00 O ATOM 610 CB LEU A 40 8.113 21.183 28.730 1.00 0.00 C ATOM 611 CG LEU A 40 8.997 21.245 29.967 1.00 0.00 C ATOM 612 CD1 LEU A 40 8.544 22.406 30.860 1.00 0.00 C ATOM 613 CD2 LEU A 40 8.855 19.934 30.744 1.00 0.00 C ATOM 0 H LEU A 40 9.932 20.154 27.400 1.00 0.00 H new ATOM 0 HA LEU A 40 8.046 22.157 26.800 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.140 21.624 28.945 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.937 20.145 28.449 1.00 0.00 H new ATOM 0 HG LEU A 40 10.035 21.395 29.670 1.00 0.00 H new ATOM 0 HD11 LEU A 40 9.177 22.451 31.747 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.625 23.342 30.308 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.508 22.251 31.161 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.485 19.968 31.633 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.815 19.798 31.041 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.164 19.101 30.112 1.00 0.00 H new ATOM 625 N ARG A 41 10.662 23.231 28.296 1.00 0.00 N ATOM 626 CA ARG A 41 11.315 24.460 28.771 1.00 0.00 C ATOM 627 C ARG A 41 11.359 25.450 27.628 1.00 0.00 C ATOM 628 O ARG A 41 10.969 26.592 27.765 1.00 0.00 O ATOM 629 CB ARG A 41 12.751 24.092 29.238 1.00 0.00 C ATOM 630 CG ARG A 41 13.764 25.173 28.820 1.00 0.00 C ATOM 631 CD ARG A 41 13.486 26.472 29.588 1.00 0.00 C ATOM 632 NE ARG A 41 14.783 27.155 29.881 1.00 0.00 N ATOM 633 CZ ARG A 41 15.592 26.653 30.775 1.00 0.00 C ATOM 634 NH1 ARG A 41 16.849 26.487 30.464 1.00 0.00 N ATOM 635 NH2 ARG A 41 15.121 26.343 31.953 1.00 0.00 N ATOM 0 H ARG A 41 11.274 22.423 28.181 1.00 0.00 H new ATOM 0 HA ARG A 41 10.771 24.907 29.603 1.00 0.00 H new ATOM 0 HB2 ARG A 41 12.766 23.975 30.322 1.00 0.00 H new ATOM 0 HB3 ARG A 41 13.041 23.132 28.810 1.00 0.00 H new ATOM 0 HG2 ARG A 41 14.779 24.831 29.022 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.696 25.353 27.747 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.841 27.126 29.000 1.00 0.00 H new ATOM 0 HD3 ARG A 41 12.958 26.254 30.516 1.00 0.00 H new ATOM 0 HE ARG A 41 15.035 28.010 29.385 1.00 0.00 H new ATOM 0 HH11 ARG A 41 17.184 26.748 29.536 1.00 0.00 H new ATOM 0 HH12 ARG A 41 17.496 26.096 31.149 1.00 0.00 H new ATOM 0 HH21 ARG A 41 14.134 26.494 32.164 1.00 0.00 H new ATOM 0 HH22 ARG A 41 15.740 25.950 32.662 1.00 0.00 H new ATOM 649 N MET A 42 11.815 24.978 26.502 1.00 0.00 N ATOM 650 CA MET A 42 11.898 25.860 25.325 1.00 0.00 C ATOM 651 C MET A 42 10.536 26.479 25.021 1.00 0.00 C ATOM 652 O MET A 42 10.454 27.613 24.594 1.00 0.00 O ATOM 653 CB MET A 42 12.348 25.014 24.123 1.00 0.00 C ATOM 654 CG MET A 42 12.554 25.922 22.908 1.00 0.00 C ATOM 655 SD MET A 42 12.596 25.129 21.284 1.00 0.00 S ATOM 656 CE MET A 42 13.411 23.600 21.806 1.00 0.00 C ATOM 0 H MET A 42 12.131 24.020 26.354 1.00 0.00 H new ATOM 0 HA MET A 42 12.607 26.664 25.522 1.00 0.00 H new ATOM 0 HB2 MET A 42 13.274 24.490 24.360 1.00 0.00 H new ATOM 0 HB3 MET A 42 11.600 24.254 23.899 1.00 0.00 H new ATOM 0 HG2 MET A 42 11.756 26.664 22.901 1.00 0.00 H new ATOM 0 HG3 MET A 42 13.491 26.462 23.045 1.00 0.00 H new ATOM 0 HE1 MET A 42 13.812 23.085 20.933 1.00 0.00 H new ATOM 0 HE2 MET A 42 14.224 23.837 22.492 1.00 0.00 H new ATOM 0 HE3 MET A 42 12.689 22.956 22.308 1.00 0.00 H new ATOM 666 N ASN A 43 9.484 25.729 25.252 1.00 0.00 N ATOM 667 CA ASN A 43 8.141 26.287 24.972 1.00 0.00 C ATOM 668 C ASN A 43 7.767 27.349 26.005 1.00 0.00 C ATOM 669 O ASN A 43 6.626 27.754 26.100 1.00 0.00 O ATOM 670 CB ASN A 43 7.117 25.145 25.027 1.00 0.00 C ATOM 671 CG ASN A 43 7.066 24.454 23.663 1.00 0.00 C ATOM 672 OD1 ASN A 43 7.217 23.254 23.557 1.00 0.00 O ATOM 673 ND2 ASN A 43 6.858 25.176 22.592 1.00 0.00 N ATOM 0 H ASN A 43 9.503 24.776 25.615 1.00 0.00 H new ATOM 0 HA ASN A 43 8.147 26.753 23.987 1.00 0.00 H new ATOM 0 HB2 ASN A 43 7.393 24.429 25.801 1.00 0.00 H new ATOM 0 HB3 ASN A 43 6.133 25.534 25.289 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.823 24.730 21.675 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.730 26.185 22.674 1.00 0.00 H new ATOM 680 N PHE A 44 8.744 27.777 26.766 1.00 0.00 N ATOM 681 CA PHE A 44 8.472 28.812 27.798 1.00 0.00 C ATOM 682 C PHE A 44 7.375 28.360 28.762 1.00 0.00 C ATOM 683 O PHE A 44 6.596 29.160 29.244 1.00 0.00 O ATOM 684 CB PHE A 44 8.017 30.097 27.074 1.00 0.00 C ATOM 685 CG PHE A 44 8.781 31.299 27.637 1.00 0.00 C ATOM 686 CD1 PHE A 44 8.927 31.463 29.003 1.00 0.00 C ATOM 687 CD2 PHE A 44 9.333 32.240 26.785 1.00 0.00 C ATOM 688 CE1 PHE A 44 9.613 32.549 29.505 1.00 0.00 C ATOM 689 CE2 PHE A 44 10.017 33.325 27.291 1.00 0.00 C ATOM 690 CZ PHE A 44 10.157 33.478 28.650 1.00 0.00 C ATOM 0 H PHE A 44 9.710 27.454 26.715 1.00 0.00 H new ATOM 0 HA PHE A 44 9.377 28.986 28.379 1.00 0.00 H new ATOM 0 HB2 PHE A 44 8.198 30.007 26.003 1.00 0.00 H new ATOM 0 HB3 PHE A 44 6.944 30.241 27.205 1.00 0.00 H new ATOM 0 HD1 PHE A 44 8.502 30.737 29.680 1.00 0.00 H new ATOM 0 HD2 PHE A 44 9.227 32.124 25.717 1.00 0.00 H new ATOM 0 HE1 PHE A 44 9.723 32.670 30.573 1.00 0.00 H new ATOM 0 HE2 PHE A 44 10.443 34.055 26.619 1.00 0.00 H new ATOM 0 HZ PHE A 44 10.694 34.327 29.046 1.00 0.00 H new ATOM 700 N ILE A 45 7.349 27.084 29.038 1.00 0.00 N ATOM 701 CA ILE A 45 6.318 26.555 29.964 1.00 0.00 C ATOM 702 C ILE A 45 6.873 26.389 31.370 1.00 0.00 C ATOM 703 O ILE A 45 8.060 26.518 31.594 1.00 0.00 O ATOM 704 CB ILE A 45 5.869 25.186 29.459 1.00 0.00 C ATOM 705 CG1 ILE A 45 5.538 25.269 27.978 1.00 0.00 C ATOM 706 CG2 ILE A 45 4.600 24.773 30.225 1.00 0.00 C ATOM 707 CD1 ILE A 45 4.496 26.366 27.755 1.00 0.00 C ATOM 0 H ILE A 45 7.996 26.391 28.662 1.00 0.00 H new ATOM 0 HA ILE A 45 5.487 27.259 29.997 1.00 0.00 H new ATOM 0 HB ILE A 45 6.666 24.459 29.614 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.439 25.485 27.404 1.00 0.00 H new ATOM 0 HG13 ILE A 45 5.156 24.311 27.624 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.266 23.796 29.876 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.819 24.722 31.291 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.815 25.509 30.051 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.256 26.429 26.694 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.593 26.130 28.318 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.896 27.322 28.094 1.00 0.00 H new ATOM 719 N ARG A 46 5.998 26.107 32.295 1.00 0.00 N ATOM 720 CA ARG A 46 6.442 25.927 33.687 1.00 0.00 C ATOM 721 C ARG A 46 5.547 24.929 34.410 1.00 0.00 C ATOM 722 O ARG A 46 4.399 24.751 34.051 1.00 0.00 O ATOM 723 CB ARG A 46 6.357 27.280 34.400 1.00 0.00 C ATOM 724 CG ARG A 46 5.025 27.945 34.055 1.00 0.00 C ATOM 725 CD ARG A 46 4.682 28.966 35.141 1.00 0.00 C ATOM 726 NE ARG A 46 5.944 29.422 35.788 1.00 0.00 N ATOM 727 CZ ARG A 46 5.995 30.606 36.332 1.00 0.00 C ATOM 728 NH1 ARG A 46 5.216 30.867 37.346 1.00 0.00 N ATOM 729 NH2 ARG A 46 6.821 31.491 35.844 1.00 0.00 N ATOM 0 H ARG A 46 4.996 25.995 32.138 1.00 0.00 H new ATOM 0 HA ARG A 46 7.464 25.548 33.693 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.440 27.143 35.478 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.186 27.918 34.095 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.090 28.436 33.084 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.238 27.195 33.981 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.152 29.814 34.708 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.018 28.520 35.882 1.00 0.00 H new ATOM 0 HE ARG A 46 6.762 28.813 35.805 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.582 30.151 37.700 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.241 31.787 37.785 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.414 31.252 35.049 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.874 32.422 36.257 1.00 0.00 H new ATOM 743 N ILE A 47 6.096 24.292 35.415 1.00 0.00 N ATOM 744 CA ILE A 47 5.304 23.296 36.184 1.00 0.00 C ATOM 745 C ILE A 47 5.454 23.529 37.682 1.00 0.00 C ATOM 746 O ILE A 47 6.509 23.911 38.149 1.00 0.00 O ATOM 747 CB ILE A 47 5.832 21.905 35.846 1.00 0.00 C ATOM 748 CG1 ILE A 47 5.839 21.709 34.334 1.00 0.00 C ATOM 749 CG2 ILE A 47 4.897 20.857 36.471 1.00 0.00 C ATOM 750 CD1 ILE A 47 6.278 20.278 34.013 1.00 0.00 C ATOM 0 H ILE A 47 7.057 24.422 35.732 1.00 0.00 H new ATOM 0 HA ILE A 47 4.251 23.392 35.920 1.00 0.00 H new ATOM 0 HB ILE A 47 6.845 21.797 36.234 1.00 0.00 H new ATOM 0 HG12 ILE A 47 4.846 21.897 33.926 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.516 22.423 33.866 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.263 19.857 36.237 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.872 20.990 37.553 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.892 20.979 36.067 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.285 20.133 32.933 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.279 20.107 34.408 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.583 19.573 34.469 1.00 0.00 H new ATOM 762 N LEU A 48 4.385 23.296 38.406 1.00 0.00 N ATOM 763 CA LEU A 48 4.426 23.492 39.882 1.00 0.00 C ATOM 764 C LEU A 48 3.820 22.290 40.597 1.00 0.00 C ATOM 765 O LEU A 48 3.249 21.417 39.976 1.00 0.00 O ATOM 766 CB LEU A 48 3.598 24.740 40.226 1.00 0.00 C ATOM 767 CG LEU A 48 4.211 25.963 39.531 1.00 0.00 C ATOM 768 CD1 LEU A 48 3.126 27.022 39.322 1.00 0.00 C ATOM 769 CD2 LEU A 48 5.315 26.546 40.416 1.00 0.00 C ATOM 0 H LEU A 48 3.489 22.979 38.035 1.00 0.00 H new ATOM 0 HA LEU A 48 5.461 23.608 40.202 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.565 24.605 39.905 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.579 24.892 41.305 1.00 0.00 H new ATOM 0 HG LEU A 48 4.627 25.666 38.568 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.558 27.893 38.828 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.330 26.610 38.701 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.716 27.318 40.288 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.753 27.415 39.926 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.892 26.845 41.375 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.087 25.793 40.578 1.00 0.00 H new ATOM 781 N GLU A 49 3.954 22.265 41.895 1.00 0.00 N ATOM 782 CA GLU A 49 3.398 21.140 42.659 1.00 0.00 C ATOM 783 C GLU A 49 1.881 21.115 42.576 1.00 0.00 C ATOM 784 O GLU A 49 1.250 22.137 42.397 1.00 0.00 O ATOM 785 CB GLU A 49 3.813 21.298 44.130 1.00 0.00 C ATOM 786 CG GLU A 49 3.564 22.742 44.570 1.00 0.00 C ATOM 787 CD GLU A 49 2.769 22.747 45.877 1.00 0.00 C ATOM 788 OE1 GLU A 49 3.164 23.506 46.747 1.00 0.00 O ATOM 789 OE2 GLU A 49 1.813 21.991 45.933 1.00 0.00 O ATOM 0 H GLU A 49 4.426 22.980 42.449 1.00 0.00 H new ATOM 0 HA GLU A 49 3.780 20.209 42.241 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.244 20.611 44.757 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.866 21.044 44.253 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.513 23.260 44.707 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.016 23.280 43.796 1.00 0.00 H new ATOM 796 N GLY A 50 1.320 19.942 42.704 1.00 0.00 N ATOM 797 CA GLY A 50 -0.162 19.832 42.634 1.00 0.00 C ATOM 798 C GLY A 50 -0.622 19.819 41.179 1.00 0.00 C ATOM 799 O GLY A 50 -1.754 19.488 40.884 1.00 0.00 O ATOM 0 H GLY A 50 1.819 19.065 42.852 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.490 18.921 43.135 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.621 20.669 43.161 1.00 0.00 H new ATOM 803 N ASP A 51 0.266 20.182 40.297 1.00 0.00 N ATOM 804 CA ASP A 51 -0.100 20.198 38.865 1.00 0.00 C ATOM 805 C ASP A 51 -0.024 18.794 38.277 1.00 0.00 C ATOM 806 O ASP A 51 0.918 18.068 38.524 1.00 0.00 O ATOM 807 CB ASP A 51 0.891 21.111 38.127 1.00 0.00 C ATOM 808 CG ASP A 51 0.885 22.490 38.788 1.00 0.00 C ATOM 809 OD1 ASP A 51 0.685 23.442 38.053 1.00 0.00 O ATOM 810 OD2 ASP A 51 1.078 22.514 39.993 1.00 0.00 O ATOM 0 H ASP A 51 1.222 20.466 40.509 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.121 20.564 38.754 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.893 20.683 38.159 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.614 21.196 37.076 1.00 0.00 H new ATOM 815 N LYS A 52 -1.017 18.434 37.508 1.00 0.00 N ATOM 816 CA LYS A 52 -1.012 17.096 36.908 1.00 0.00 C ATOM 817 C LYS A 52 -0.042 17.021 35.771 1.00 0.00 C ATOM 818 O LYS A 52 0.212 17.996 35.097 1.00 0.00 O ATOM 819 CB LYS A 52 -2.423 16.772 36.391 1.00 0.00 C ATOM 820 CG LYS A 52 -3.442 17.026 37.505 1.00 0.00 C ATOM 821 CD LYS A 52 -4.832 17.199 36.882 1.00 0.00 C ATOM 822 CE LYS A 52 -5.807 17.702 37.950 1.00 0.00 C ATOM 823 NZ LYS A 52 -7.211 17.593 37.463 1.00 0.00 N ATOM 0 H LYS A 52 -1.823 19.016 37.278 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.710 16.375 37.668 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.655 17.389 35.523 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.474 15.733 36.066 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.446 16.193 38.208 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.169 17.918 38.069 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.786 17.906 36.053 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.180 16.251 36.473 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.686 17.121 38.864 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.581 18.739 38.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.861 17.938 38.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.326 18.166 36.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.428 16.599 37.248 1.00 0.00 H new ATOM 837 N VAL A 53 0.486 15.855 35.572 1.00 0.00 N ATOM 838 CA VAL A 53 1.454 15.690 34.479 1.00 0.00 C ATOM 839 C VAL A 53 1.469 14.283 33.930 1.00 0.00 C ATOM 840 O VAL A 53 0.941 13.371 34.538 1.00 0.00 O ATOM 841 CB VAL A 53 2.811 15.956 35.085 1.00 0.00 C ATOM 842 CG1 VAL A 53 2.880 17.421 35.509 1.00 0.00 C ATOM 843 CG2 VAL A 53 2.974 15.052 36.324 1.00 0.00 C ATOM 0 H VAL A 53 0.288 15.016 36.118 1.00 0.00 H new ATOM 0 HA VAL A 53 1.193 16.362 33.662 1.00 0.00 H new ATOM 0 HB VAL A 53 3.603 15.747 34.366 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.856 17.627 35.949 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.733 18.059 34.638 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.101 17.624 36.244 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.949 15.229 36.778 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.191 15.281 37.047 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.897 14.007 36.024 1.00 0.00 H new ATOM 853 N ASN A 54 2.091 14.125 32.785 1.00 0.00 N ATOM 854 CA ASN A 54 2.156 12.783 32.181 1.00 0.00 C ATOM 855 C ASN A 54 3.476 12.149 32.550 1.00 0.00 C ATOM 856 O ASN A 54 4.509 12.676 32.231 1.00 0.00 O ATOM 857 CB ASN A 54 2.060 12.920 30.656 1.00 0.00 C ATOM 858 CG ASN A 54 0.729 12.347 30.177 1.00 0.00 C ATOM 859 OD1 ASN A 54 0.685 11.400 29.415 1.00 0.00 O ATOM 860 ND2 ASN A 54 -0.382 12.890 30.595 1.00 0.00 N ATOM 0 H ASN A 54 2.548 14.868 32.257 1.00 0.00 H new ATOM 0 HA ASN A 54 1.336 12.163 32.544 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.142 13.968 30.368 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.887 12.394 30.180 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.280 12.520 30.283 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.352 13.684 31.234 1.00 0.00 H new ATOM 867 N VAL A 55 3.421 11.017 33.204 1.00 0.00 N ATOM 868 CA VAL A 55 4.680 10.347 33.602 1.00 0.00 C ATOM 869 C VAL A 55 5.010 9.141 32.741 1.00 0.00 C ATOM 870 O VAL A 55 4.231 8.215 32.628 1.00 0.00 O ATOM 871 CB VAL A 55 4.510 9.854 35.045 1.00 0.00 C ATOM 872 CG1 VAL A 55 5.771 9.104 35.470 1.00 0.00 C ATOM 873 CG2 VAL A 55 4.298 11.055 35.972 1.00 0.00 C ATOM 0 H VAL A 55 2.563 10.536 33.475 1.00 0.00 H new ATOM 0 HA VAL A 55 5.489 11.069 33.488 1.00 0.00 H new ATOM 0 HB VAL A 55 3.648 9.190 35.107 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.656 8.751 36.495 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.928 8.252 34.808 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.630 9.773 35.411 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.177 10.706 36.998 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.162 11.717 35.913 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.404 11.598 35.666 1.00 0.00 H new ATOM 883 N GLU A 56 6.176 9.180 32.152 1.00 0.00 N ATOM 884 CA GLU A 56 6.609 8.058 31.293 1.00 0.00 C ATOM 885 C GLU A 56 7.578 7.187 32.078 1.00 0.00 C ATOM 886 O GLU A 56 8.710 7.566 32.302 1.00 0.00 O ATOM 887 CB GLU A 56 7.339 8.633 30.067 1.00 0.00 C ATOM 888 CG GLU A 56 6.349 8.775 28.912 1.00 0.00 C ATOM 889 CD GLU A 56 7.108 9.176 27.645 1.00 0.00 C ATOM 890 OE1 GLU A 56 6.484 9.117 26.600 1.00 0.00 O ATOM 891 OE2 GLU A 56 8.269 9.519 27.797 1.00 0.00 O ATOM 0 H GLU A 56 6.844 9.947 32.234 1.00 0.00 H new ATOM 0 HA GLU A 56 5.748 7.469 30.977 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.774 9.602 30.310 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.161 7.978 29.778 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.821 7.835 28.752 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.596 9.526 29.153 1.00 0.00 H new ATOM 898 N LEU A 57 7.116 6.038 32.489 1.00 0.00 N ATOM 899 CA LEU A 57 8.000 5.129 33.266 1.00 0.00 C ATOM 900 C LEU A 57 8.930 4.329 32.353 1.00 0.00 C ATOM 901 O LEU A 57 8.570 3.989 31.242 1.00 0.00 O ATOM 902 CB LEU A 57 7.103 4.158 34.046 1.00 0.00 C ATOM 903 CG LEU A 57 6.031 4.962 34.797 1.00 0.00 C ATOM 904 CD1 LEU A 57 4.936 4.014 35.289 1.00 0.00 C ATOM 905 CD2 LEU A 57 6.671 5.649 36.001 1.00 0.00 C ATOM 0 H LEU A 57 6.171 5.692 32.321 1.00 0.00 H new ATOM 0 HA LEU A 57 8.623 5.724 33.934 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.633 3.449 33.364 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.699 3.577 34.749 1.00 0.00 H new ATOM 0 HG LEU A 57 5.600 5.707 34.129 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.175 4.583 35.822 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.481 3.510 34.436 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.371 3.273 35.960 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.915 6.221 36.538 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.096 4.897 36.665 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.460 6.320 35.660 1.00 0.00 H new ATOM 917 N SER A 58 10.121 4.040 32.847 1.00 0.00 N ATOM 918 CA SER A 58 11.095 3.261 32.020 1.00 0.00 C ATOM 919 C SER A 58 11.083 1.754 32.396 1.00 0.00 C ATOM 920 O SER A 58 11.031 1.409 33.561 1.00 0.00 O ATOM 921 CB SER A 58 12.504 3.816 32.295 1.00 0.00 C ATOM 922 OG SER A 58 12.638 3.742 33.707 1.00 0.00 O ATOM 0 H SER A 58 10.451 4.308 33.774 1.00 0.00 H new ATOM 0 HA SER A 58 10.818 3.357 30.970 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.270 3.226 31.791 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.605 4.841 31.939 1.00 0.00 H new ATOM 0 HG SER A 58 13.520 4.079 33.970 1.00 0.00 H new ATOM 928 N PRO A 59 11.135 0.879 31.381 1.00 0.00 N ATOM 929 CA PRO A 59 11.131 -0.574 31.611 1.00 0.00 C ATOM 930 C PRO A 59 12.380 -1.041 32.367 1.00 0.00 C ATOM 931 O PRO A 59 12.455 -2.174 32.799 1.00 0.00 O ATOM 932 CB PRO A 59 11.138 -1.200 30.199 1.00 0.00 C ATOM 933 CG PRO A 59 11.275 -0.035 29.174 1.00 0.00 C ATOM 934 CD PRO A 59 11.176 1.281 29.965 1.00 0.00 C ATOM 0 HA PRO A 59 10.271 -0.864 32.215 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.965 -1.902 30.095 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.220 -1.760 30.023 1.00 0.00 H new ATOM 0 HG2 PRO A 59 12.227 -0.096 28.647 1.00 0.00 H new ATOM 0 HG3 PRO A 59 10.489 -0.091 28.421 1.00 0.00 H new ATOM 0 HD2 PRO A 59 12.031 1.927 29.764 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.282 1.840 29.688 1.00 0.00 H new ATOM 942 N TYR A 60 13.331 -0.159 32.518 1.00 0.00 N ATOM 943 CA TYR A 60 14.554 -0.528 33.226 1.00 0.00 C ATOM 944 C TYR A 60 14.395 -0.224 34.689 1.00 0.00 C ATOM 945 O TYR A 60 15.072 -0.782 35.530 1.00 0.00 O ATOM 946 CB TYR A 60 15.718 0.302 32.665 1.00 0.00 C ATOM 947 CG TYR A 60 15.840 0.048 31.162 1.00 0.00 C ATOM 948 CD1 TYR A 60 16.634 -0.975 30.685 1.00 0.00 C ATOM 949 CD2 TYR A 60 15.156 0.838 30.261 1.00 0.00 C ATOM 950 CE1 TYR A 60 16.743 -1.204 29.328 1.00 0.00 C ATOM 951 CE2 TYR A 60 15.263 0.609 28.905 1.00 0.00 C ATOM 952 CZ TYR A 60 16.059 -0.413 28.427 1.00 0.00 C ATOM 953 OH TYR A 60 16.167 -0.641 27.071 1.00 0.00 O ATOM 0 H TYR A 60 13.298 0.801 32.174 1.00 0.00 H new ATOM 0 HA TYR A 60 14.752 -1.592 33.094 1.00 0.00 H new ATOM 0 HB2 TYR A 60 15.548 1.362 32.854 1.00 0.00 H new ATOM 0 HB3 TYR A 60 16.647 0.033 33.168 1.00 0.00 H new ATOM 0 HD1 TYR A 60 17.175 -1.602 31.379 1.00 0.00 H new ATOM 0 HD2 TYR A 60 14.532 1.642 30.621 1.00 0.00 H new ATOM 0 HE1 TYR A 60 17.368 -2.008 28.969 1.00 0.00 H new ATOM 0 HE2 TYR A 60 14.720 1.234 28.212 1.00 0.00 H new ATOM 0 HH TYR A 60 15.617 0.009 26.585 1.00 0.00 H new ATOM 963 N ASP A 61 13.496 0.667 34.968 1.00 0.00 N ATOM 964 CA ASP A 61 13.258 1.038 36.361 1.00 0.00 C ATOM 965 C ASP A 61 11.836 1.539 36.539 1.00 0.00 C ATOM 966 O ASP A 61 11.572 2.720 36.422 1.00 0.00 O ATOM 967 CB ASP A 61 14.239 2.155 36.751 1.00 0.00 C ATOM 968 CG ASP A 61 15.652 1.577 36.847 1.00 0.00 C ATOM 969 OD1 ASP A 61 16.380 1.769 35.888 1.00 0.00 O ATOM 970 OD2 ASP A 61 15.923 0.978 37.875 1.00 0.00 O ATOM 0 H ASP A 61 12.918 1.151 34.281 1.00 0.00 H new ATOM 0 HA ASP A 61 13.406 0.164 36.995 1.00 0.00 H new ATOM 0 HB2 ASP A 61 14.210 2.955 36.011 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.948 2.594 37.705 1.00 0.00 H new ATOM 975 N LEU A 62 10.941 0.634 36.822 1.00 0.00 N ATOM 976 CA LEU A 62 9.531 1.042 37.010 1.00 0.00 C ATOM 977 C LEU A 62 9.379 1.849 38.278 1.00 0.00 C ATOM 978 O LEU A 62 8.296 1.976 38.819 1.00 0.00 O ATOM 979 CB LEU A 62 8.667 -0.219 37.107 1.00 0.00 C ATOM 980 CG LEU A 62 8.855 -1.048 35.836 1.00 0.00 C ATOM 981 CD1 LEU A 62 8.734 -2.530 36.183 1.00 0.00 C ATOM 982 CD2 LEU A 62 7.770 -0.677 34.824 1.00 0.00 C ATOM 0 H LEU A 62 11.128 -0.363 36.930 1.00 0.00 H new ATOM 0 HA LEU A 62 9.218 1.657 36.166 1.00 0.00 H new ATOM 0 HB2 LEU A 62 8.950 -0.803 37.983 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.618 0.051 37.229 1.00 0.00 H new ATOM 0 HG LEU A 62 9.837 -0.848 35.408 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.867 -3.127 35.281 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.500 -2.797 36.911 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.748 -2.726 36.605 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.902 -1.267 33.917 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.788 -0.883 35.251 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.845 0.383 34.582 1.00 0.00 H new ATOM 994 N THR A 63 10.475 2.383 38.725 1.00 0.00 N ATOM 995 CA THR A 63 10.461 3.201 39.963 1.00 0.00 C ATOM 996 C THR A 63 10.666 4.674 39.632 1.00 0.00 C ATOM 997 O THR A 63 10.514 5.530 40.480 1.00 0.00 O ATOM 998 CB THR A 63 11.612 2.737 40.856 1.00 0.00 C ATOM 999 OG1 THR A 63 11.307 1.400 41.197 1.00 0.00 O ATOM 1000 CG2 THR A 63 11.604 3.491 42.194 1.00 0.00 C ATOM 0 H THR A 63 11.389 2.287 38.282 1.00 0.00 H new ATOM 0 HA THR A 63 9.500 3.081 40.464 1.00 0.00 H new ATOM 0 HB THR A 63 12.561 2.885 40.341 1.00 0.00 H new ATOM 0 HG1 THR A 63 12.014 1.040 41.773 1.00 0.00 H new ATOM 0 HG21 THR A 63 12.432 3.144 42.812 1.00 0.00 H new ATOM 0 HG22 THR A 63 11.712 4.560 42.010 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.662 3.305 42.711 1.00 0.00 H new ATOM 1008 N ARG A 64 11.013 4.938 38.394 1.00 0.00 N ATOM 1009 CA ARG A 64 11.237 6.347 37.974 1.00 0.00 C ATOM 1010 C ARG A 64 10.640 6.607 36.591 1.00 0.00 C ATOM 1011 O ARG A 64 10.592 5.722 35.748 1.00 0.00 O ATOM 1012 CB ARG A 64 12.754 6.588 37.907 1.00 0.00 C ATOM 1013 CG ARG A 64 13.319 6.647 39.329 1.00 0.00 C ATOM 1014 CD ARG A 64 14.833 6.428 39.280 1.00 0.00 C ATOM 1015 NE ARG A 64 15.508 7.551 39.995 1.00 0.00 N ATOM 1016 CZ ARG A 64 16.742 7.855 39.692 1.00 0.00 C ATOM 1017 NH1 ARG A 64 17.634 7.900 40.645 1.00 0.00 N ATOM 1018 NH2 ARG A 64 17.041 8.111 38.448 1.00 0.00 N ATOM 0 H ARG A 64 11.149 4.239 37.664 1.00 0.00 H new ATOM 0 HA ARG A 64 10.758 7.014 38.690 1.00 0.00 H new ATOM 0 HB2 ARG A 64 13.237 5.789 37.344 1.00 0.00 H new ATOM 0 HB3 ARG A 64 12.963 7.519 37.381 1.00 0.00 H new ATOM 0 HG2 ARG A 64 13.094 7.612 39.783 1.00 0.00 H new ATOM 0 HG3 ARG A 64 12.850 5.885 39.951 1.00 0.00 H new ATOM 0 HD2 ARG A 64 15.091 5.476 39.744 1.00 0.00 H new ATOM 0 HD3 ARG A 64 15.174 6.381 38.246 1.00 0.00 H new ATOM 0 HE ARG A 64 15.010 8.076 40.714 1.00 0.00 H new ATOM 0 HH11 ARG A 64 17.362 7.700 41.608 1.00 0.00 H new ATOM 0 HH12 ARG A 64 18.602 8.136 40.427 1.00 0.00 H new ATOM 0 HH21 ARG A 64 16.317 8.072 37.731 1.00 0.00 H new ATOM 0 HH22 ARG A 64 17.999 8.350 38.193 1.00 0.00 H new ATOM 1032 N GLY A 65 10.193 7.821 36.387 1.00 0.00 N ATOM 1033 CA GLY A 65 9.590 8.182 35.070 1.00 0.00 C ATOM 1034 C GLY A 65 10.062 9.576 34.641 1.00 0.00 C ATOM 1035 O GLY A 65 11.053 10.078 35.136 1.00 0.00 O ATOM 0 H GLY A 65 10.220 8.575 37.074 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.873 7.446 34.317 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.503 8.163 35.141 1.00 0.00 H new ATOM 1039 N ARG A 66 9.354 10.171 33.718 1.00 0.00 N ATOM 1040 CA ARG A 66 9.767 11.527 33.267 1.00 0.00 C ATOM 1041 C ARG A 66 8.601 12.307 32.663 1.00 0.00 C ATOM 1042 O ARG A 66 7.874 11.804 31.829 1.00 0.00 O ATOM 1043 CB ARG A 66 10.862 11.384 32.203 1.00 0.00 C ATOM 1044 CG ARG A 66 10.436 10.339 31.169 1.00 0.00 C ATOM 1045 CD ARG A 66 11.667 9.873 30.393 1.00 0.00 C ATOM 1046 NE ARG A 66 11.223 9.227 29.128 1.00 0.00 N ATOM 1047 CZ ARG A 66 11.917 9.408 28.038 1.00 0.00 C ATOM 1048 NH1 ARG A 66 11.361 10.026 27.032 1.00 0.00 N ATOM 1049 NH2 ARG A 66 13.142 8.963 27.989 1.00 0.00 N ATOM 0 H ARG A 66 8.525 9.785 33.266 1.00 0.00 H new ATOM 0 HA ARG A 66 10.129 12.074 34.137 1.00 0.00 H new ATOM 0 HB2 ARG A 66 11.038 12.343 31.715 1.00 0.00 H new ATOM 0 HB3 ARG A 66 11.801 11.087 32.670 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.961 9.492 31.664 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.700 10.764 30.487 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.318 10.720 30.176 1.00 0.00 H new ATOM 0 HD3 ARG A 66 12.247 9.170 30.992 1.00 0.00 H new ATOM 0 HE ARG A 66 10.384 8.648 29.113 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.400 10.358 27.106 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.888 10.177 26.172 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.543 8.482 28.795 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.699 9.096 27.145 1.00 0.00 H new ATOM 1063 N ILE A 67 8.449 13.527 33.111 1.00 0.00 N ATOM 1064 CA ILE A 67 7.346 14.385 32.595 1.00 0.00 C ATOM 1065 C ILE A 67 7.815 15.277 31.476 1.00 0.00 C ATOM 1066 O ILE A 67 8.808 15.965 31.614 1.00 0.00 O ATOM 1067 CB ILE A 67 6.885 15.280 33.705 1.00 0.00 C ATOM 1068 CG1 ILE A 67 6.125 14.467 34.718 1.00 0.00 C ATOM 1069 CG2 ILE A 67 5.940 16.345 33.116 1.00 0.00 C ATOM 1070 CD1 ILE A 67 5.984 15.287 35.978 1.00 0.00 C ATOM 0 H ILE A 67 9.044 13.965 33.814 1.00 0.00 H new ATOM 0 HA ILE A 67 6.554 13.732 32.229 1.00 0.00 H new ATOM 0 HB ILE A 67 7.744 15.753 34.182 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.143 14.198 34.329 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.651 13.536 34.928 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.595 17.005 33.912 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.473 16.929 32.365 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.083 15.855 32.654 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.435 14.714 36.725 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.973 15.534 36.364 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.442 16.206 35.755 1.00 0.00 H new ATOM 1082 N THR A 68 7.096 15.258 30.393 1.00 0.00 N ATOM 1083 CA THR A 68 7.480 16.105 29.248 1.00 0.00 C ATOM 1084 C THR A 68 6.301 16.943 28.788 1.00 0.00 C ATOM 1085 O THR A 68 6.374 17.610 27.776 1.00 0.00 O ATOM 1086 CB THR A 68 7.925 15.203 28.094 1.00 0.00 C ATOM 1087 OG1 THR A 68 6.763 14.505 27.697 1.00 0.00 O ATOM 1088 CG2 THR A 68 8.881 14.110 28.592 1.00 0.00 C ATOM 0 H THR A 68 6.260 14.691 30.256 1.00 0.00 H new ATOM 0 HA THR A 68 8.290 16.768 29.552 1.00 0.00 H new ATOM 0 HB THR A 68 8.402 15.803 27.319 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.080 14.583 28.395 1.00 0.00 H new ATOM 0 HG21 THR A 68 9.183 13.482 27.754 1.00 0.00 H new ATOM 0 HG22 THR A 68 9.763 14.572 29.036 1.00 0.00 H new ATOM 0 HG23 THR A 68 8.377 13.499 29.340 1.00 0.00 H new ATOM 1096 N TRP A 69 5.227 16.902 29.536 1.00 0.00 N ATOM 1097 CA TRP A 69 4.050 17.695 29.132 1.00 0.00 C ATOM 1098 C TRP A 69 2.999 17.772 30.237 1.00 0.00 C ATOM 1099 O TRP A 69 2.372 16.786 30.567 1.00 0.00 O ATOM 1100 CB TRP A 69 3.414 16.994 27.922 1.00 0.00 C ATOM 1101 CG TRP A 69 3.648 15.467 28.020 1.00 0.00 C ATOM 1102 CD1 TRP A 69 3.993 14.816 29.134 1.00 0.00 C ATOM 1103 CD2 TRP A 69 3.552 14.644 27.011 1.00 0.00 C ATOM 1104 NE1 TRP A 69 4.109 13.543 28.731 1.00 0.00 N ATOM 1105 CE2 TRP A 69 3.839 13.345 27.386 1.00 0.00 C ATOM 1106 CE3 TRP A 69 3.202 14.926 25.707 1.00 0.00 C ATOM 1107 CZ2 TRP A 69 3.773 12.329 26.454 1.00 0.00 C ATOM 1108 CZ3 TRP A 69 3.137 13.910 24.777 1.00 0.00 C ATOM 1109 CH2 TRP A 69 3.422 12.612 25.149 1.00 0.00 C ATOM 0 H TRP A 69 5.124 16.360 30.394 1.00 0.00 H new ATOM 0 HA TRP A 69 4.378 18.710 28.906 1.00 0.00 H new ATOM 0 HB2 TRP A 69 2.345 17.206 27.887 1.00 0.00 H new ATOM 0 HB3 TRP A 69 3.846 17.379 26.998 1.00 0.00 H new ATOM 0 HD1 TRP A 69 4.143 15.220 30.124 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.373 12.785 29.360 1.00 0.00 H new ATOM 0 HE3 TRP A 69 2.979 15.942 25.415 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 3.996 11.313 26.745 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 2.863 14.130 23.756 1.00 0.00 H new ATOM 0 HH2 TRP A 69 3.370 11.817 24.419 1.00 0.00 H new ATOM 1120 N ARG A 70 2.820 18.941 30.784 1.00 0.00 N ATOM 1121 CA ARG A 70 1.825 19.084 31.845 1.00 0.00 C ATOM 1122 C ARG A 70 0.426 19.029 31.241 1.00 0.00 C ATOM 1123 O ARG A 70 0.238 19.383 30.095 1.00 0.00 O ATOM 1124 CB ARG A 70 2.026 20.443 32.536 1.00 0.00 C ATOM 1125 CG ARG A 70 2.143 21.533 31.475 1.00 0.00 C ATOM 1126 CD ARG A 70 1.410 22.785 31.968 1.00 0.00 C ATOM 1127 NE ARG A 70 1.773 23.941 31.098 1.00 0.00 N ATOM 1128 CZ ARG A 70 1.192 25.094 31.295 1.00 0.00 C ATOM 1129 NH1 ARG A 70 1.663 25.890 32.218 1.00 0.00 N ATOM 1130 NH2 ARG A 70 0.159 25.414 30.565 1.00 0.00 N ATOM 0 H ARG A 70 3.324 19.792 30.534 1.00 0.00 H new ATOM 0 HA ARG A 70 1.939 18.277 32.569 1.00 0.00 H new ATOM 0 HB2 ARG A 70 1.188 20.654 33.200 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.924 20.421 33.153 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.191 21.761 31.283 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.713 21.191 30.534 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.332 22.622 31.946 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.680 22.995 33.003 1.00 0.00 H new ATOM 0 HE ARG A 70 2.467 23.832 30.358 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.472 25.607 32.771 1.00 0.00 H new ATOM 0 HH12 ARG A 70 1.222 26.794 32.385 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.183 24.768 29.854 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.307 26.310 30.706 1.00 0.00 H new ATOM 1144 N LYS A 71 -0.533 18.584 32.007 1.00 0.00 N ATOM 1145 CA LYS A 71 -1.915 18.512 31.461 1.00 0.00 C ATOM 1146 C LYS A 71 -2.261 19.778 30.687 1.00 0.00 C ATOM 1147 O LYS A 71 -2.400 20.839 31.261 1.00 0.00 O ATOM 1148 CB LYS A 71 -2.905 18.365 32.623 1.00 0.00 C ATOM 1149 CG LYS A 71 -4.328 18.360 32.059 1.00 0.00 C ATOM 1150 CD LYS A 71 -5.178 17.355 32.835 1.00 0.00 C ATOM 1151 CE LYS A 71 -6.655 17.682 32.617 1.00 0.00 C ATOM 1152 NZ LYS A 71 -7.509 16.881 33.538 1.00 0.00 N ATOM 0 H LYS A 71 -0.421 18.272 32.972 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.976 17.657 30.788 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.712 17.442 33.169 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -2.782 19.185 33.330 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.764 19.356 32.134 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.311 18.098 31.001 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.963 16.341 32.499 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.936 17.397 33.897 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.827 18.745 32.785 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.931 17.474 31.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.509 17.116 33.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.358 15.868 33.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.257 17.099 34.523 1.00 0.00 H new ATOM 1166 N LYS A 72 -2.399 19.641 29.392 1.00 0.00 N ATOM 1167 CA LYS A 72 -2.736 20.824 28.560 1.00 0.00 C ATOM 1168 C LYS A 72 -4.233 20.879 28.278 1.00 0.00 C ATOM 1169 O LYS A 72 -4.785 19.809 28.075 1.00 0.00 O ATOM 1170 CB LYS A 72 -1.988 20.704 27.223 1.00 0.00 C ATOM 1171 CG LYS A 72 -0.635 21.412 27.340 1.00 0.00 C ATOM 1172 CD LYS A 72 -0.734 22.793 26.687 1.00 0.00 C ATOM 1173 CE LYS A 72 0.443 23.655 27.150 1.00 0.00 C ATOM 1174 NZ LYS A 72 1.615 22.801 27.497 1.00 0.00 N ATOM 0 H LYS A 72 -2.293 18.764 28.882 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.446 21.729 29.094 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.842 19.655 26.967 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.577 21.149 26.421 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.352 21.511 28.388 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.142 20.821 26.854 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.724 22.696 25.601 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.677 23.269 26.956 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.718 24.357 26.363 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.148 24.247 28.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.468 23.392 27.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.447 22.335 28.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.749 22.079 26.760 1.00 0.00 H new TER 1188 LYS A 72