USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 716 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc=-0.00687 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=-0.0056) USER MOD Single : A 17 HIS : no HD1:sc= -1.76! X(o=-1.8!,f=-2) USER MOD Single : A 21 GLN : amide:sc= -0.0524 X(o=-0.052,f=0) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=-0.004) USER MOD Single : A 55 ASN : amide:sc= -3.32 X(o=-3.3,f=-3.4!) USER MOD Single : A 57 GLN : amide:sc= -0.0226 X(o=-0.023,f=-0.17) USER MOD Single : A 58 SER OG : rot 31:sc= 0.393 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.183 USER MOD Single : A 64 HIS : no HD1:sc= -1.13 K(o=-1.1,f=-5.9!) USER MOD Single : A 72 THR OG1 : rot 83:sc= 0.497 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HE2:sc= -0.103 X(o=-0.1,f=-0.45) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 33:sc= 1.29 USER MOD Single : A 83 MET CE :methyl 174:sc= -3.44! (180deg=-3.69!) USER MOD Single : A 87 THR OG1 : rot 175:sc= -0.516 USER MOD Single : A 88 TYR OH : rot 30:sc= -0.164 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.220 15.280 -7.799 1.00 0.00 N ATOM 2 CA GLY A 1 -8.674 15.993 -8.978 1.00 0.00 C ATOM 3 C GLY A 1 -10.183 15.969 -9.125 1.00 0.00 C ATOM 4 O GLY A 1 -10.902 16.555 -8.316 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.182 15.326 -7.744 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.631 15.717 -6.949 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.520 14.286 -7.857 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.333 17.027 -8.927 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.219 15.551 -9.864 1.00 0.00 H new ATOM 8 N SER A 2 -10.664 15.290 -10.162 1.00 0.00 N ATOM 9 CA SER A 2 -12.097 15.197 -10.416 1.00 0.00 C ATOM 10 C SER A 2 -12.669 13.909 -9.831 1.00 0.00 C ATOM 11 O SER A 2 -11.951 12.928 -9.641 1.00 0.00 O ATOM 12 CB SER A 2 -12.375 15.256 -11.919 1.00 0.00 C ATOM 13 OG SER A 2 -12.201 16.570 -12.419 1.00 0.00 O ATOM 0 H SER A 2 -10.083 14.797 -10.839 1.00 0.00 H new ATOM 0 HA SER A 2 -12.583 16.043 -9.931 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.706 14.573 -12.443 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.393 14.920 -12.117 1.00 0.00 H new ATOM 0 HG SER A 2 -12.383 16.580 -13.382 1.00 0.00 H new ATOM 19 N SER A 3 -13.968 13.921 -9.549 1.00 0.00 N ATOM 20 CA SER A 3 -14.637 12.756 -8.982 1.00 0.00 C ATOM 21 C SER A 3 -15.024 11.766 -10.077 1.00 0.00 C ATOM 22 O SER A 3 -15.736 12.111 -11.019 1.00 0.00 O ATOM 23 CB SER A 3 -15.883 13.185 -8.204 1.00 0.00 C ATOM 24 OG SER A 3 -15.570 14.192 -7.257 1.00 0.00 O ATOM 0 H SER A 3 -14.578 14.724 -9.704 1.00 0.00 H new ATOM 0 HA SER A 3 -13.943 12.265 -8.300 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.639 13.555 -8.897 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.312 12.323 -7.694 1.00 0.00 H new ATOM 0 HG SER A 3 -16.382 14.451 -6.774 1.00 0.00 H new ATOM 30 N GLY A 4 -14.549 10.531 -9.944 1.00 0.00 N ATOM 31 CA GLY A 4 -14.854 9.509 -10.928 1.00 0.00 C ATOM 32 C GLY A 4 -13.703 8.546 -11.140 1.00 0.00 C ATOM 33 O GLY A 4 -13.336 7.797 -10.235 1.00 0.00 O ATOM 0 H GLY A 4 -13.959 10.220 -9.172 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.735 8.952 -10.608 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.105 9.985 -11.876 1.00 0.00 H new ATOM 37 N SER A 5 -13.132 8.564 -12.340 1.00 0.00 N ATOM 38 CA SER A 5 -12.019 7.682 -12.671 1.00 0.00 C ATOM 39 C SER A 5 -10.689 8.310 -12.265 1.00 0.00 C ATOM 40 O SER A 5 -10.562 9.532 -12.199 1.00 0.00 O ATOM 41 CB SER A 5 -12.013 7.373 -14.169 1.00 0.00 C ATOM 42 OG SER A 5 -11.730 8.535 -14.929 1.00 0.00 O ATOM 0 H SER A 5 -13.422 9.180 -13.100 1.00 0.00 H new ATOM 0 HA SER A 5 -12.147 6.753 -12.116 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.269 6.605 -14.382 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.981 6.969 -14.464 1.00 0.00 H new ATOM 0 HG SER A 5 -11.730 8.310 -15.883 1.00 0.00 H new ATOM 48 N SER A 6 -9.701 7.463 -11.993 1.00 0.00 N ATOM 49 CA SER A 6 -8.381 7.934 -11.590 1.00 0.00 C ATOM 50 C SER A 6 -7.303 6.926 -11.977 1.00 0.00 C ATOM 51 O SER A 6 -7.368 5.756 -11.602 1.00 0.00 O ATOM 52 CB SER A 6 -8.344 8.181 -10.080 1.00 0.00 C ATOM 53 OG SER A 6 -9.238 9.218 -9.712 1.00 0.00 O ATOM 0 H SER A 6 -9.790 6.448 -12.044 1.00 0.00 H new ATOM 0 HA SER A 6 -8.182 8.871 -12.110 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.607 7.265 -9.552 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.331 8.445 -9.776 1.00 0.00 H new ATOM 0 HG SER A 6 -9.198 9.356 -8.743 1.00 0.00 H new ATOM 59 N GLY A 7 -6.312 7.390 -12.732 1.00 0.00 N ATOM 60 CA GLY A 7 -5.233 6.517 -13.159 1.00 0.00 C ATOM 61 C GLY A 7 -4.701 5.658 -12.029 1.00 0.00 C ATOM 62 O GLY A 7 -4.917 4.446 -12.007 1.00 0.00 O ATOM 0 H GLY A 7 -6.237 8.354 -13.056 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.587 5.874 -13.965 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.421 7.120 -13.566 1.00 0.00 H new ATOM 66 N VAL A 8 -4.002 6.286 -11.089 1.00 0.00 N ATOM 67 CA VAL A 8 -3.437 5.570 -9.951 1.00 0.00 C ATOM 68 C VAL A 8 -4.128 5.970 -8.652 1.00 0.00 C ATOM 69 O VAL A 8 -4.235 7.155 -8.331 1.00 0.00 O ATOM 70 CB VAL A 8 -1.925 5.833 -9.818 1.00 0.00 C ATOM 71 CG1 VAL A 8 -1.363 5.112 -8.602 1.00 0.00 C ATOM 72 CG2 VAL A 8 -1.197 5.409 -11.084 1.00 0.00 C ATOM 0 H VAL A 8 -3.813 7.288 -11.093 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.599 4.508 -10.133 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.770 6.903 -9.679 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.294 5.309 -8.524 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.865 5.470 -7.703 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.527 4.040 -8.707 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.130 5.602 -10.972 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.357 4.345 -11.257 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.581 5.976 -11.932 1.00 0.00 H new ATOM 82 N THR A 9 -4.595 4.974 -7.906 1.00 0.00 N ATOM 83 CA THR A 9 -5.277 5.221 -6.641 1.00 0.00 C ATOM 84 C THR A 9 -4.278 5.401 -5.504 1.00 0.00 C ATOM 85 O THR A 9 -3.514 4.490 -5.184 1.00 0.00 O ATOM 86 CB THR A 9 -6.238 4.071 -6.287 1.00 0.00 C ATOM 87 OG1 THR A 9 -7.115 3.809 -7.389 1.00 0.00 O ATOM 88 CG2 THR A 9 -7.056 4.411 -5.051 1.00 0.00 C ATOM 0 H THR A 9 -4.514 3.988 -8.156 1.00 0.00 H new ATOM 0 HA THR A 9 -5.851 6.139 -6.766 1.00 0.00 H new ATOM 0 HB THR A 9 -5.644 3.182 -6.077 1.00 0.00 H new ATOM 0 HG1 THR A 9 -7.722 3.075 -7.157 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.728 3.584 -4.820 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.387 4.581 -4.207 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.641 5.312 -5.238 1.00 0.00 H new ATOM 96 N THR A 10 -4.288 6.583 -4.895 1.00 0.00 N ATOM 97 CA THR A 10 -3.382 6.883 -3.793 1.00 0.00 C ATOM 98 C THR A 10 -4.107 6.822 -2.454 1.00 0.00 C ATOM 99 O THR A 10 -5.208 7.352 -2.309 1.00 0.00 O ATOM 100 CB THR A 10 -2.741 8.274 -3.955 1.00 0.00 C ATOM 101 OG1 THR A 10 -2.158 8.396 -5.257 1.00 0.00 O ATOM 102 CG2 THR A 10 -1.677 8.507 -2.894 1.00 0.00 C ATOM 0 H THR A 10 -4.914 7.348 -5.147 1.00 0.00 H new ATOM 0 HA THR A 10 -2.598 6.126 -3.813 1.00 0.00 H new ATOM 0 HB THR A 10 -3.522 9.025 -3.835 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.754 9.284 -5.353 1.00 0.00 H new ATOM 0 HG21 THR A 10 -1.239 9.496 -3.029 1.00 0.00 H new ATOM 0 HG22 THR A 10 -2.130 8.443 -1.905 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.899 7.750 -2.987 1.00 0.00 H new ATOM 110 N ALA A 11 -3.481 6.174 -1.476 1.00 0.00 N ATOM 111 CA ALA A 11 -4.066 6.048 -0.147 1.00 0.00 C ATOM 112 C ALA A 11 -3.073 6.465 0.932 1.00 0.00 C ATOM 113 O ALA A 11 -1.863 6.297 0.773 1.00 0.00 O ATOM 114 CB ALA A 11 -4.536 4.620 0.089 1.00 0.00 C ATOM 0 H ALA A 11 -2.569 5.729 -1.580 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.925 6.716 -0.090 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -4.971 4.540 1.085 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.286 4.356 -0.656 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.688 3.940 0.007 1.00 0.00 H new ATOM 120 N ILE A 12 -3.590 7.009 2.028 1.00 0.00 N ATOM 121 CA ILE A 12 -2.748 7.449 3.133 1.00 0.00 C ATOM 122 C ILE A 12 -3.176 6.798 4.444 1.00 0.00 C ATOM 123 O ILE A 12 -4.342 6.870 4.833 1.00 0.00 O ATOM 124 CB ILE A 12 -2.788 8.980 3.296 1.00 0.00 C ATOM 125 CG1 ILE A 12 -2.328 9.664 2.007 1.00 0.00 C ATOM 126 CG2 ILE A 12 -1.921 9.410 4.470 1.00 0.00 C ATOM 127 CD1 ILE A 12 -2.744 11.115 1.912 1.00 0.00 C ATOM 0 H ILE A 12 -4.589 7.156 2.175 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.729 7.143 2.894 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.815 9.283 3.498 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.242 9.601 1.939 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.733 9.122 1.153 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.959 10.494 4.573 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.290 8.946 5.384 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.891 9.098 4.295 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.384 11.536 0.973 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.831 11.185 1.948 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.317 11.671 2.746 1.00 0.00 H new ATOM 139 N ILE A 13 -2.224 6.164 5.121 1.00 0.00 N ATOM 140 CA ILE A 13 -2.502 5.502 6.389 1.00 0.00 C ATOM 141 C ILE A 13 -1.944 6.303 7.561 1.00 0.00 C ATOM 142 O ILE A 13 -1.023 7.104 7.396 1.00 0.00 O ATOM 143 CB ILE A 13 -1.909 4.081 6.425 1.00 0.00 C ATOM 144 CG1 ILE A 13 -2.423 3.261 5.240 1.00 0.00 C ATOM 145 CG2 ILE A 13 -2.254 3.397 7.739 1.00 0.00 C ATOM 146 CD1 ILE A 13 -3.882 2.879 5.356 1.00 0.00 C ATOM 0 H ILE A 13 -1.254 6.095 4.812 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.586 5.437 6.479 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.824 4.153 6.349 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.277 3.832 4.323 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.825 2.354 5.149 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -1.828 2.394 7.750 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.844 3.974 8.568 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.337 3.333 7.842 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -4.177 2.300 4.481 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.031 2.281 6.255 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.491 3.781 5.416 1.00 0.00 H new ATOM 158 N HIS A 14 -2.506 6.081 8.745 1.00 0.00 N ATOM 159 CA HIS A 14 -2.062 6.780 9.945 1.00 0.00 C ATOM 160 C HIS A 14 -1.689 5.790 11.044 1.00 0.00 C ATOM 161 O HIS A 14 -2.559 5.173 11.659 1.00 0.00 O ATOM 162 CB HIS A 14 -3.156 7.725 10.444 1.00 0.00 C ATOM 163 CG HIS A 14 -3.070 9.102 9.862 1.00 0.00 C ATOM 164 ND1 HIS A 14 -3.160 9.355 8.510 1.00 0.00 N ATOM 165 CD2 HIS A 14 -2.901 10.306 10.458 1.00 0.00 C ATOM 166 CE1 HIS A 14 -3.049 10.654 8.299 1.00 0.00 C ATOM 167 NE2 HIS A 14 -2.892 11.254 9.465 1.00 0.00 N ATOM 0 H HIS A 14 -3.270 5.423 8.899 1.00 0.00 H new ATOM 0 HA HIS A 14 -1.177 7.363 9.690 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -4.130 7.298 10.204 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.097 7.794 11.530 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -2.793 10.487 11.517 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -3.081 11.143 7.336 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -2.782 12.258 9.605 1.00 0.00 H new ATOM 175 N ARG A 15 -0.390 5.642 11.285 1.00 0.00 N ATOM 176 CA ARG A 15 0.098 4.726 12.308 1.00 0.00 C ATOM 177 C ARG A 15 0.808 5.485 13.425 1.00 0.00 C ATOM 178 O ARG A 15 2.007 5.756 13.360 1.00 0.00 O ATOM 179 CB ARG A 15 1.050 3.699 11.690 1.00 0.00 C ATOM 180 CG ARG A 15 0.513 3.057 10.421 1.00 0.00 C ATOM 181 CD ARG A 15 0.930 3.836 9.184 1.00 0.00 C ATOM 182 NE ARG A 15 1.073 2.972 8.015 1.00 0.00 N ATOM 183 CZ ARG A 15 2.011 2.039 7.902 1.00 0.00 C ATOM 184 NH1 ARG A 15 2.885 1.850 8.881 1.00 0.00 N ATOM 185 NH2 ARG A 15 2.077 1.292 6.807 1.00 0.00 N ATOM 0 H ARG A 15 0.343 6.145 10.785 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.760 4.207 12.734 1.00 0.00 H new ATOM 0 HB2 ARG A 15 2.000 4.185 11.467 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.255 2.919 12.423 1.00 0.00 H new ATOM 0 HG2 ARG A 15 0.878 2.033 10.348 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -0.575 3.005 10.470 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.190 4.608 8.975 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.875 4.344 9.377 1.00 0.00 H new ATOM 0 HE ARG A 15 0.417 3.092 7.244 1.00 0.00 H new ATOM 0 HH11 ARG A 15 2.838 2.422 9.724 1.00 0.00 H new ATOM 0 HH12 ARG A 15 3.604 1.132 8.791 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.407 1.434 6.051 1.00 0.00 H new ATOM 0 HH22 ARG A 15 2.798 0.576 6.721 1.00 0.00 H new ATOM 199 N PRO A 16 0.050 5.839 14.474 1.00 0.00 N ATOM 200 CA PRO A 16 0.586 6.572 15.625 1.00 0.00 C ATOM 201 C PRO A 16 1.528 5.721 16.468 1.00 0.00 C ATOM 202 O PRO A 16 2.300 6.242 17.273 1.00 0.00 O ATOM 203 CB PRO A 16 -0.667 6.937 16.426 1.00 0.00 C ATOM 204 CG PRO A 16 -1.671 5.903 16.051 1.00 0.00 C ATOM 205 CD PRO A 16 -1.386 5.550 14.617 1.00 0.00 C ATOM 0 HA PRO A 16 1.180 7.433 15.319 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.469 6.926 17.498 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.018 7.938 16.177 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.587 5.026 16.693 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.686 6.285 16.165 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.608 4.503 14.409 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.986 6.146 13.929 1.00 0.00 H new ATOM 213 N HIS A 17 1.462 4.407 16.277 1.00 0.00 N ATOM 214 CA HIS A 17 2.311 3.482 17.019 1.00 0.00 C ATOM 215 C HIS A 17 2.874 2.404 16.099 1.00 0.00 C ATOM 216 O HIS A 17 2.224 1.990 15.140 1.00 0.00 O ATOM 217 CB HIS A 17 1.523 2.836 18.159 1.00 0.00 C ATOM 218 CG HIS A 17 2.358 2.521 19.362 1.00 0.00 C ATOM 219 ND1 HIS A 17 2.698 1.236 19.727 1.00 0.00 N ATOM 220 CD2 HIS A 17 2.923 3.335 20.284 1.00 0.00 C ATOM 221 CE1 HIS A 17 3.435 1.272 20.822 1.00 0.00 C ATOM 222 NE2 HIS A 17 3.587 2.534 21.181 1.00 0.00 N ATOM 0 H HIS A 17 0.829 3.959 15.614 1.00 0.00 H new ATOM 0 HA HIS A 17 3.143 4.048 17.438 1.00 0.00 H new ATOM 0 HB2 HIS A 17 0.713 3.504 18.454 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.062 1.917 17.796 1.00 0.00 H new ATOM 0 HD2 HIS A 17 2.863 4.413 20.310 1.00 0.00 H new ATOM 0 HE1 HIS A 17 3.844 0.415 21.337 1.00 0.00 H new ATOM 0 HE2 HIS A 17 4.112 2.861 21.992 1.00 0.00 H new ATOM 230 N ALA A 18 4.088 1.953 16.398 1.00 0.00 N ATOM 231 CA ALA A 18 4.739 0.922 15.598 1.00 0.00 C ATOM 232 C ALA A 18 4.354 -0.472 16.082 1.00 0.00 C ATOM 233 O ALA A 18 4.276 -1.414 15.293 1.00 0.00 O ATOM 234 CB ALA A 18 6.250 1.098 15.638 1.00 0.00 C ATOM 0 H ALA A 18 4.641 2.285 17.188 1.00 0.00 H new ATOM 0 HA ALA A 18 4.399 1.028 14.568 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.723 0.322 15.037 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.513 2.077 15.238 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.598 1.021 16.668 1.00 0.00 H new ATOM 240 N ARG A 19 4.116 -0.597 17.384 1.00 0.00 N ATOM 241 CA ARG A 19 3.742 -1.877 17.973 1.00 0.00 C ATOM 242 C ARG A 19 2.241 -2.120 17.836 1.00 0.00 C ATOM 243 O ARG A 19 1.636 -2.800 18.663 1.00 0.00 O ATOM 244 CB ARG A 19 4.144 -1.921 19.448 1.00 0.00 C ATOM 245 CG ARG A 19 5.596 -2.310 19.672 1.00 0.00 C ATOM 246 CD ARG A 19 6.105 -1.814 21.016 1.00 0.00 C ATOM 247 NE ARG A 19 7.394 -2.405 21.365 1.00 0.00 N ATOM 248 CZ ARG A 19 7.550 -3.677 21.712 1.00 0.00 C ATOM 249 NH1 ARG A 19 6.502 -4.489 21.756 1.00 0.00 N ATOM 250 NH2 ARG A 19 8.755 -4.141 22.016 1.00 0.00 N ATOM 0 H ARG A 19 4.176 0.173 18.051 1.00 0.00 H new ATOM 0 HA ARG A 19 4.271 -2.664 17.436 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.966 -0.942 19.894 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.502 -2.631 19.970 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.695 -3.394 19.622 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.212 -1.896 18.873 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.199 -0.728 20.990 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.376 -2.052 21.790 1.00 0.00 H new ATOM 0 HE ARG A 19 8.220 -1.807 21.341 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.574 -4.137 21.523 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.625 -5.466 22.023 1.00 0.00 H new ATOM 0 HH21 ARG A 19 9.564 -3.520 21.983 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.873 -5.119 22.282 1.00 0.00 H new ATOM 264 N GLU A 20 1.649 -1.559 16.786 1.00 0.00 N ATOM 265 CA GLU A 20 0.220 -1.714 16.543 1.00 0.00 C ATOM 266 C GLU A 20 -0.036 -2.295 15.155 1.00 0.00 C ATOM 267 O GLU A 20 0.591 -1.889 14.177 1.00 0.00 O ATOM 268 CB GLU A 20 -0.493 -0.368 16.684 1.00 0.00 C ATOM 269 CG GLU A 20 -0.542 0.148 18.112 1.00 0.00 C ATOM 270 CD GLU A 20 -1.504 -0.635 18.984 1.00 0.00 C ATOM 271 OE1 GLU A 20 -2.728 -0.520 18.769 1.00 0.00 O ATOM 272 OE2 GLU A 20 -1.031 -1.364 19.881 1.00 0.00 O ATOM 0 H GLU A 20 2.137 -0.994 16.091 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.176 -2.406 17.286 1.00 0.00 H new ATOM 0 HB2 GLU A 20 0.011 0.368 16.058 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.511 -0.464 16.306 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.457 0.100 18.546 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.836 1.198 18.105 1.00 0.00 H new ATOM 279 N GLN A 21 -0.960 -3.247 15.079 1.00 0.00 N ATOM 280 CA GLN A 21 -1.298 -3.884 13.812 1.00 0.00 C ATOM 281 C GLN A 21 -1.573 -2.841 12.734 1.00 0.00 C ATOM 282 O GLN A 21 -1.654 -1.645 13.019 1.00 0.00 O ATOM 283 CB GLN A 21 -2.516 -4.793 13.983 1.00 0.00 C ATOM 284 CG GLN A 21 -2.191 -6.133 14.622 1.00 0.00 C ATOM 285 CD GLN A 21 -1.669 -7.146 13.623 1.00 0.00 C ATOM 286 OE1 GLN A 21 -0.528 -7.599 13.719 1.00 0.00 O ATOM 287 NE2 GLN A 21 -2.503 -7.507 12.655 1.00 0.00 N ATOM 0 H GLN A 21 -1.488 -3.594 15.880 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.446 -4.487 13.498 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.259 -4.280 14.593 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -2.970 -4.966 13.007 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -1.448 -5.986 15.406 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -3.086 -6.529 15.101 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -3.440 -7.106 12.613 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -2.207 -8.185 11.953 1.00 0.00 H new ATOM 296 N LEU A 22 -1.716 -3.300 11.496 1.00 0.00 N ATOM 297 CA LEU A 22 -1.983 -2.406 10.375 1.00 0.00 C ATOM 298 C LEU A 22 -3.423 -2.550 9.894 1.00 0.00 C ATOM 299 O LEU A 22 -4.119 -1.558 9.679 1.00 0.00 O ATOM 300 CB LEU A 22 -1.018 -2.697 9.224 1.00 0.00 C ATOM 301 CG LEU A 22 0.351 -2.022 9.309 1.00 0.00 C ATOM 302 CD1 LEU A 22 1.131 -2.231 8.020 1.00 0.00 C ATOM 303 CD2 LEU A 22 0.196 -0.537 9.605 1.00 0.00 C ATOM 0 H LEU A 22 -1.652 -4.286 11.243 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.834 -1.382 10.716 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.866 -3.775 9.167 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.494 -2.392 8.292 1.00 0.00 H new ATOM 0 HG LEU A 22 0.910 -2.479 10.126 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.103 -1.743 8.100 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.273 -3.298 7.850 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.577 -1.801 7.186 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.181 -0.073 9.662 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.382 -0.066 8.810 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.322 -0.408 10.555 1.00 0.00 H new ATOM 315 N GLY A 23 -3.866 -3.793 9.729 1.00 0.00 N ATOM 316 CA GLY A 23 -5.222 -4.044 9.277 1.00 0.00 C ATOM 317 C GLY A 23 -5.267 -4.649 7.888 1.00 0.00 C ATOM 318 O GLY A 23 -5.991 -5.615 7.646 1.00 0.00 O ATOM 0 H GLY A 23 -3.310 -4.631 9.900 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.717 -4.715 9.979 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -5.782 -3.109 9.281 1.00 0.00 H new ATOM 322 N PHE A 24 -4.493 -4.078 6.970 1.00 0.00 N ATOM 323 CA PHE A 24 -4.450 -4.565 5.596 1.00 0.00 C ATOM 324 C PHE A 24 -3.414 -5.676 5.445 1.00 0.00 C ATOM 325 O PHE A 24 -2.292 -5.564 5.940 1.00 0.00 O ATOM 326 CB PHE A 24 -4.128 -3.418 4.636 1.00 0.00 C ATOM 327 CG PHE A 24 -2.759 -2.834 4.838 1.00 0.00 C ATOM 328 CD1 PHE A 24 -2.529 -1.904 5.840 1.00 0.00 C ATOM 329 CD2 PHE A 24 -1.702 -3.214 4.027 1.00 0.00 C ATOM 330 CE1 PHE A 24 -1.270 -1.365 6.027 1.00 0.00 C ATOM 331 CE2 PHE A 24 -0.441 -2.678 4.210 1.00 0.00 C ATOM 332 CZ PHE A 24 -0.225 -1.753 5.212 1.00 0.00 C ATOM 0 H PHE A 24 -3.887 -3.278 7.153 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.431 -4.971 5.350 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.213 -3.778 3.611 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.872 -2.631 4.760 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.342 -1.597 6.481 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.865 -3.938 3.242 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -1.104 -0.640 6.810 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.374 -2.982 3.570 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.759 -1.334 5.358 1.00 0.00 H new ATOM 342 N CYS A 25 -3.800 -6.746 4.760 1.00 0.00 N ATOM 343 CA CYS A 25 -2.906 -7.879 4.544 1.00 0.00 C ATOM 344 C CYS A 25 -2.327 -7.853 3.133 1.00 0.00 C ATOM 345 O CYS A 25 -3.065 -7.849 2.148 1.00 0.00 O ATOM 346 CB CYS A 25 -3.650 -9.194 4.779 1.00 0.00 C ATOM 347 SG CYS A 25 -3.704 -9.712 6.511 1.00 0.00 S ATOM 0 H CYS A 25 -4.725 -6.854 4.345 1.00 0.00 H new ATOM 0 HA CYS A 25 -2.084 -7.803 5.256 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -4.670 -9.093 4.409 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -3.174 -9.979 4.191 1.00 0.00 H new ATOM 0 HG CYS A 25 -4.356 -10.833 6.609 1.00 0.00 H new ATOM 353 N VAL A 26 -1.001 -7.834 3.044 1.00 0.00 N ATOM 354 CA VAL A 26 -0.322 -7.808 1.754 1.00 0.00 C ATOM 355 C VAL A 26 0.346 -9.146 1.457 1.00 0.00 C ATOM 356 O VAL A 26 0.997 -9.731 2.322 1.00 0.00 O ATOM 357 CB VAL A 26 0.740 -6.694 1.701 1.00 0.00 C ATOM 358 CG1 VAL A 26 1.489 -6.732 0.377 1.00 0.00 C ATOM 359 CG2 VAL A 26 0.095 -5.333 1.919 1.00 0.00 C ATOM 0 H VAL A 26 -0.376 -7.836 3.850 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.084 -7.610 1.000 1.00 0.00 H new ATOM 0 HB VAL A 26 1.459 -6.863 2.503 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.235 -5.938 0.358 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.984 -7.697 0.266 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.786 -6.589 -0.443 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.860 -4.557 1.878 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.646 -5.153 1.141 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.391 -5.313 2.894 1.00 0.00 H new ATOM 369 N GLU A 27 0.180 -9.625 0.228 1.00 0.00 N ATOM 370 CA GLU A 27 0.767 -10.895 -0.182 1.00 0.00 C ATOM 371 C GLU A 27 1.591 -10.727 -1.456 1.00 0.00 C ATOM 372 O GLU A 27 1.059 -10.381 -2.511 1.00 0.00 O ATOM 373 CB GLU A 27 -0.328 -11.940 -0.404 1.00 0.00 C ATOM 374 CG GLU A 27 -1.087 -12.305 0.861 1.00 0.00 C ATOM 375 CD GLU A 27 -0.371 -13.355 1.688 1.00 0.00 C ATOM 376 OE1 GLU A 27 0.534 -12.983 2.464 1.00 0.00 O ATOM 377 OE2 GLU A 27 -0.715 -14.548 1.559 1.00 0.00 O ATOM 0 H GLU A 27 -0.356 -9.153 -0.500 1.00 0.00 H new ATOM 0 HA GLU A 27 1.428 -11.235 0.615 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.033 -11.563 -1.145 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.121 -12.841 -0.821 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.232 -11.409 1.465 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.078 -12.672 0.593 1.00 0.00 H new ATOM 384 N ASP A 28 2.892 -10.975 -1.348 1.00 0.00 N ATOM 385 CA ASP A 28 3.790 -10.852 -2.490 1.00 0.00 C ATOM 386 C ASP A 28 3.696 -9.461 -3.109 1.00 0.00 C ATOM 387 O ASP A 28 3.978 -9.276 -4.292 1.00 0.00 O ATOM 388 CB ASP A 28 3.462 -11.914 -3.541 1.00 0.00 C ATOM 389 CG ASP A 28 4.139 -13.240 -3.254 1.00 0.00 C ATOM 390 OD1 ASP A 28 3.619 -14.001 -2.410 1.00 0.00 O ATOM 391 OD2 ASP A 28 5.186 -13.518 -3.874 1.00 0.00 O ATOM 0 H ASP A 28 3.348 -11.262 -0.482 1.00 0.00 H new ATOM 0 HA ASP A 28 4.810 -11.004 -2.136 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.383 -12.061 -3.580 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.771 -11.557 -4.523 1.00 0.00 H new ATOM 396 N GLY A 29 3.296 -8.484 -2.300 1.00 0.00 N ATOM 397 CA GLY A 29 3.170 -7.123 -2.786 1.00 0.00 C ATOM 398 C GLY A 29 1.790 -6.830 -3.339 1.00 0.00 C ATOM 399 O GLY A 29 1.612 -5.892 -4.117 1.00 0.00 O ATOM 0 H GLY A 29 3.057 -8.612 -1.317 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.387 -6.429 -1.974 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.914 -6.948 -3.563 1.00 0.00 H new ATOM 403 N ILE A 30 0.811 -7.634 -2.938 1.00 0.00 N ATOM 404 CA ILE A 30 -0.560 -7.456 -3.400 1.00 0.00 C ATOM 405 C ILE A 30 -1.555 -7.663 -2.262 1.00 0.00 C ATOM 406 O ILE A 30 -1.685 -8.767 -1.732 1.00 0.00 O ATOM 407 CB ILE A 30 -0.899 -8.427 -4.546 1.00 0.00 C ATOM 408 CG1 ILE A 30 0.162 -8.342 -5.646 1.00 0.00 C ATOM 409 CG2 ILE A 30 -2.279 -8.121 -5.109 1.00 0.00 C ATOM 410 CD1 ILE A 30 -0.075 -9.303 -6.789 1.00 0.00 C ATOM 0 H ILE A 30 0.942 -8.415 -2.295 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.639 -6.433 -3.767 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.906 -9.443 -4.152 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.188 -7.325 -6.037 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.141 -8.542 -5.211 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.504 -8.816 -5.918 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.025 -8.227 -4.321 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.298 -7.100 -5.491 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.715 -9.188 -7.531 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.072 -10.325 -6.411 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.040 -9.090 -7.250 1.00 0.00 H new ATOM 422 N ILE A 31 -2.255 -6.596 -1.894 1.00 0.00 N ATOM 423 CA ILE A 31 -3.240 -6.662 -0.821 1.00 0.00 C ATOM 424 C ILE A 31 -4.361 -7.637 -1.164 1.00 0.00 C ATOM 425 O ILE A 31 -4.832 -7.683 -2.301 1.00 0.00 O ATOM 426 CB ILE A 31 -3.850 -5.278 -0.531 1.00 0.00 C ATOM 427 CG1 ILE A 31 -2.743 -4.243 -0.317 1.00 0.00 C ATOM 428 CG2 ILE A 31 -4.762 -5.345 0.684 1.00 0.00 C ATOM 429 CD1 ILE A 31 -3.158 -2.832 -0.672 1.00 0.00 C ATOM 0 H ILE A 31 -2.159 -5.675 -2.323 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.716 -7.012 0.068 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.446 -4.973 -1.391 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.429 -4.269 0.727 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.877 -4.520 -0.917 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.185 -4.359 0.876 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.567 -6.055 0.496 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.188 -5.669 1.552 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.324 -2.152 -0.496 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.444 -2.790 -1.723 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.005 -2.535 -0.053 1.00 0.00 H new ATOM 441 N CYS A 32 -4.784 -8.414 -0.173 1.00 0.00 N ATOM 442 CA CYS A 32 -5.851 -9.389 -0.369 1.00 0.00 C ATOM 443 C CYS A 32 -7.014 -9.120 0.581 1.00 0.00 C ATOM 444 O CYS A 32 -8.175 -9.120 0.172 1.00 0.00 O ATOM 445 CB CYS A 32 -5.320 -10.807 -0.155 1.00 0.00 C ATOM 446 SG CYS A 32 -6.199 -12.075 -1.098 1.00 0.00 S ATOM 0 H CYS A 32 -4.405 -8.388 0.774 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.212 -9.295 -1.393 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.265 -10.833 -0.427 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.382 -11.050 0.906 1.00 0.00 H new ATOM 0 HG CYS A 32 -5.676 -13.239 -0.852 1.00 0.00 H new ATOM 452 N SER A 33 -6.694 -8.892 1.851 1.00 0.00 N ATOM 453 CA SER A 33 -7.713 -8.627 2.860 1.00 0.00 C ATOM 454 C SER A 33 -7.466 -7.284 3.541 1.00 0.00 C ATOM 455 O SER A 33 -6.342 -6.781 3.559 1.00 0.00 O ATOM 456 CB SER A 33 -7.731 -9.745 3.903 1.00 0.00 C ATOM 457 OG SER A 33 -7.696 -11.020 3.285 1.00 0.00 O ATOM 0 H SER A 33 -5.738 -8.885 2.205 1.00 0.00 H new ATOM 0 HA SER A 33 -8.682 -8.590 2.362 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.876 -9.637 4.571 1.00 0.00 H new ATOM 0 HB3 SER A 33 -8.628 -9.659 4.517 1.00 0.00 H new ATOM 0 HG SER A 33 -7.707 -11.718 3.973 1.00 0.00 H new ATOM 463 N LEU A 34 -8.525 -6.709 4.101 1.00 0.00 N ATOM 464 CA LEU A 34 -8.425 -5.424 4.784 1.00 0.00 C ATOM 465 C LEU A 34 -9.234 -5.431 6.077 1.00 0.00 C ATOM 466 O LEU A 34 -10.418 -5.770 6.079 1.00 0.00 O ATOM 467 CB LEU A 34 -8.913 -4.299 3.870 1.00 0.00 C ATOM 468 CG LEU A 34 -8.407 -2.895 4.204 1.00 0.00 C ATOM 469 CD1 LEU A 34 -9.100 -1.856 3.337 1.00 0.00 C ATOM 470 CD2 LEU A 34 -8.620 -2.589 5.680 1.00 0.00 C ATOM 0 H LEU A 34 -9.462 -7.112 4.095 1.00 0.00 H new ATOM 0 HA LEU A 34 -7.378 -5.253 5.033 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.619 -4.536 2.847 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.003 -4.286 3.894 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.338 -2.856 3.995 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.727 -0.864 3.590 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.896 -2.064 2.287 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -10.175 -1.894 3.512 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.254 -1.586 5.900 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -9.683 -2.647 5.914 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.075 -3.315 6.284 1.00 0.00 H new ATOM 482 N LEU A 35 -8.589 -5.052 7.175 1.00 0.00 N ATOM 483 CA LEU A 35 -9.249 -5.011 8.475 1.00 0.00 C ATOM 484 C LEU A 35 -10.315 -3.921 8.511 1.00 0.00 C ATOM 485 O LEU A 35 -10.018 -2.758 8.787 1.00 0.00 O ATOM 486 CB LEU A 35 -8.222 -4.773 9.583 1.00 0.00 C ATOM 487 CG LEU A 35 -8.769 -4.741 11.010 1.00 0.00 C ATOM 488 CD1 LEU A 35 -8.974 -6.154 11.535 1.00 0.00 C ATOM 489 CD2 LEU A 35 -7.834 -3.962 11.923 1.00 0.00 C ATOM 0 H LEU A 35 -7.609 -4.769 7.191 1.00 0.00 H new ATOM 0 HA LEU A 35 -9.735 -5.973 8.639 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.465 -5.555 9.523 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.719 -3.826 9.387 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.735 -4.236 10.997 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.364 -6.111 12.552 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.683 -6.680 10.896 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -8.022 -6.684 11.533 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -8.240 -3.950 12.935 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.853 -4.438 11.931 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.738 -2.939 11.558 1.00 0.00 H new ATOM 501 N ARG A 36 -11.556 -4.305 8.232 1.00 0.00 N ATOM 502 CA ARG A 36 -12.666 -3.360 8.234 1.00 0.00 C ATOM 503 C ARG A 36 -12.864 -2.756 9.621 1.00 0.00 C ATOM 504 O ARG A 36 -13.226 -3.454 10.567 1.00 0.00 O ATOM 505 CB ARG A 36 -13.953 -4.051 7.779 1.00 0.00 C ATOM 506 CG ARG A 36 -14.970 -3.102 7.165 1.00 0.00 C ATOM 507 CD ARG A 36 -16.365 -3.707 7.162 1.00 0.00 C ATOM 508 NE ARG A 36 -16.609 -4.515 5.970 1.00 0.00 N ATOM 509 CZ ARG A 36 -16.718 -4.008 4.748 1.00 0.00 C ATOM 510 NH1 ARG A 36 -16.606 -2.701 4.556 1.00 0.00 N ATOM 511 NH2 ARG A 36 -16.941 -4.809 3.713 1.00 0.00 N ATOM 0 H ARG A 36 -11.818 -5.263 8.002 1.00 0.00 H new ATOM 0 HA ARG A 36 -12.427 -2.556 7.537 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -13.703 -4.823 7.051 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -14.407 -4.554 8.633 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -14.979 -2.166 7.723 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -14.674 -2.861 6.144 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -16.494 -4.324 8.051 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -17.106 -2.910 7.217 1.00 0.00 H new ATOM 0 HE ARG A 36 -16.701 -5.525 6.083 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -16.436 -2.082 5.348 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.690 -2.315 3.616 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -17.029 -5.815 3.856 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -17.025 -4.418 2.774 1.00 0.00 H new ATOM 525 N GLY A 37 -12.624 -1.453 9.734 1.00 0.00 N ATOM 526 CA GLY A 37 -12.780 -0.778 11.009 1.00 0.00 C ATOM 527 C GLY A 37 -11.457 -0.316 11.587 1.00 0.00 C ATOM 528 O GLY A 37 -11.425 0.480 12.524 1.00 0.00 O ATOM 0 H GLY A 37 -12.324 -0.853 8.965 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -13.438 0.082 10.883 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -13.266 -1.451 11.715 1.00 0.00 H new ATOM 532 N GLY A 38 -10.361 -0.820 11.028 1.00 0.00 N ATOM 533 CA GLY A 38 -9.044 -0.444 11.508 1.00 0.00 C ATOM 534 C GLY A 38 -8.577 0.883 10.942 1.00 0.00 C ATOM 535 O GLY A 38 -9.374 1.806 10.770 1.00 0.00 O ATOM 0 H GLY A 38 -10.362 -1.482 10.252 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.060 -0.386 12.596 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.328 -1.221 11.241 1.00 0.00 H new ATOM 539 N ILE A 39 -7.283 0.979 10.655 1.00 0.00 N ATOM 540 CA ILE A 39 -6.713 2.204 10.107 1.00 0.00 C ATOM 541 C ILE A 39 -6.768 2.201 8.583 1.00 0.00 C ATOM 542 O ILE A 39 -7.061 3.222 7.961 1.00 0.00 O ATOM 543 CB ILE A 39 -5.252 2.394 10.556 1.00 0.00 C ATOM 544 CG1 ILE A 39 -5.094 2.010 12.029 1.00 0.00 C ATOM 545 CG2 ILE A 39 -4.811 3.832 10.328 1.00 0.00 C ATOM 546 CD1 ILE A 39 -3.685 2.181 12.550 1.00 0.00 C ATOM 0 H ILE A 39 -6.610 0.225 10.793 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.313 3.030 10.489 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.616 1.740 9.959 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.771 2.618 12.629 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.398 0.971 12.160 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.776 3.951 10.650 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.891 4.073 9.268 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.449 4.504 10.902 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.647 1.890 13.600 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.006 1.552 11.975 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.385 3.224 12.451 1.00 0.00 H new ATOM 558 N ALA A 40 -6.485 1.047 7.988 1.00 0.00 N ATOM 559 CA ALA A 40 -6.506 0.911 6.537 1.00 0.00 C ATOM 560 C ALA A 40 -7.824 1.412 5.957 1.00 0.00 C ATOM 561 O ALA A 40 -7.847 2.361 5.175 1.00 0.00 O ATOM 562 CB ALA A 40 -6.269 -0.539 6.140 1.00 0.00 C ATOM 0 H ALA A 40 -6.239 0.193 8.488 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.703 1.525 6.128 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.287 -0.626 5.054 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.298 -0.865 6.514 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.051 -1.166 6.568 1.00 0.00 H new ATOM 568 N GLU A 41 -8.920 0.767 6.347 1.00 0.00 N ATOM 569 CA GLU A 41 -10.242 1.148 5.864 1.00 0.00 C ATOM 570 C GLU A 41 -10.438 2.658 5.950 1.00 0.00 C ATOM 571 O GLU A 41 -10.967 3.280 5.028 1.00 0.00 O ATOM 572 CB GLU A 41 -11.329 0.434 6.670 1.00 0.00 C ATOM 573 CG GLU A 41 -12.730 0.639 6.118 1.00 0.00 C ATOM 574 CD GLU A 41 -13.135 2.100 6.083 1.00 0.00 C ATOM 575 OE1 GLU A 41 -12.856 2.816 7.068 1.00 0.00 O ATOM 576 OE2 GLU A 41 -13.732 2.527 5.073 1.00 0.00 O ATOM 0 H GLU A 41 -8.918 -0.021 6.995 1.00 0.00 H new ATOM 0 HA GLU A 41 -10.319 0.848 4.819 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.110 -0.633 6.694 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.298 0.789 7.700 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -12.783 0.227 5.110 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -13.442 0.083 6.728 1.00 0.00 H new ATOM 583 N ARG A 42 -10.009 3.243 7.063 1.00 0.00 N ATOM 584 CA ARG A 42 -10.139 4.680 7.271 1.00 0.00 C ATOM 585 C ARG A 42 -9.157 5.447 6.391 1.00 0.00 C ATOM 586 O ARG A 42 -9.358 6.626 6.101 1.00 0.00 O ATOM 587 CB ARG A 42 -9.901 5.027 8.742 1.00 0.00 C ATOM 588 CG ARG A 42 -11.133 4.855 9.616 1.00 0.00 C ATOM 589 CD ARG A 42 -10.807 5.065 11.086 1.00 0.00 C ATOM 590 NE ARG A 42 -11.987 5.441 11.860 1.00 0.00 N ATOM 591 CZ ARG A 42 -11.931 6.101 13.012 1.00 0.00 C ATOM 592 NH1 ARG A 42 -10.759 6.455 13.520 1.00 0.00 N ATOM 593 NH2 ARG A 42 -13.049 6.407 13.657 1.00 0.00 N ATOM 0 H ARG A 42 -9.568 2.744 7.835 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.152 4.972 6.995 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -9.100 4.398 9.130 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.558 6.059 8.812 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -11.901 5.564 9.308 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.545 3.856 9.473 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.380 4.150 11.497 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.048 5.842 11.182 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.904 5.183 11.496 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -9.898 6.221 13.026 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.719 6.962 14.404 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.952 6.136 13.269 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.005 6.914 14.541 1.00 0.00 H new ATOM 607 N GLY A 43 -8.094 4.770 5.969 1.00 0.00 N ATOM 608 CA GLY A 43 -7.097 5.404 5.127 1.00 0.00 C ATOM 609 C GLY A 43 -7.526 5.478 3.675 1.00 0.00 C ATOM 610 O GLY A 43 -7.406 6.523 3.037 1.00 0.00 O ATOM 0 H GLY A 43 -7.905 3.793 6.195 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -6.901 6.411 5.496 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.161 4.850 5.198 1.00 0.00 H new ATOM 614 N GLY A 44 -8.027 4.364 3.150 1.00 0.00 N ATOM 615 CA GLY A 44 -8.466 4.327 1.767 1.00 0.00 C ATOM 616 C GLY A 44 -7.853 3.177 0.994 1.00 0.00 C ATOM 617 O GLY A 44 -7.813 3.198 -0.236 1.00 0.00 O ATOM 0 H GLY A 44 -8.137 3.486 3.658 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.552 4.243 1.736 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.205 5.267 1.281 1.00 0.00 H new ATOM 621 N ILE A 45 -7.373 2.170 1.717 1.00 0.00 N ATOM 622 CA ILE A 45 -6.758 1.006 1.090 1.00 0.00 C ATOM 623 C ILE A 45 -7.811 0.097 0.467 1.00 0.00 C ATOM 624 O ILE A 45 -8.907 -0.061 1.006 1.00 0.00 O ATOM 625 CB ILE A 45 -5.929 0.194 2.103 1.00 0.00 C ATOM 626 CG1 ILE A 45 -4.756 1.028 2.621 1.00 0.00 C ATOM 627 CG2 ILE A 45 -5.430 -1.095 1.467 1.00 0.00 C ATOM 628 CD1 ILE A 45 -3.633 1.179 1.618 1.00 0.00 C ATOM 0 H ILE A 45 -7.398 2.137 2.736 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.097 1.380 0.309 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.567 -0.064 2.948 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.119 2.017 2.900 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.364 0.566 3.527 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.846 -1.658 2.195 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.281 -1.694 1.143 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.805 -0.858 0.606 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.836 1.782 2.053 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -3.243 0.195 1.357 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.010 1.669 0.721 1.00 0.00 H new ATOM 640 N ARG A 46 -7.471 -0.500 -0.671 1.00 0.00 N ATOM 641 CA ARG A 46 -8.388 -1.395 -1.368 1.00 0.00 C ATOM 642 C ARG A 46 -7.706 -2.718 -1.703 1.00 0.00 C ATOM 643 O ARG A 46 -6.604 -2.739 -2.253 1.00 0.00 O ATOM 644 CB ARG A 46 -8.903 -0.735 -2.648 1.00 0.00 C ATOM 645 CG ARG A 46 -10.109 0.163 -2.427 1.00 0.00 C ATOM 646 CD ARG A 46 -11.407 -0.630 -2.455 1.00 0.00 C ATOM 647 NE ARG A 46 -12.547 0.199 -2.836 1.00 0.00 N ATOM 648 CZ ARG A 46 -13.203 0.981 -1.986 1.00 0.00 C ATOM 649 NH1 ARG A 46 -12.834 1.040 -0.714 1.00 0.00 N ATOM 650 NH2 ARG A 46 -14.231 1.706 -2.409 1.00 0.00 N ATOM 0 H ARG A 46 -6.568 -0.380 -1.130 1.00 0.00 H new ATOM 0 HA ARG A 46 -9.231 -1.598 -0.708 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.100 -0.147 -3.092 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -9.165 -1.511 -3.367 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.014 0.673 -1.468 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.136 0.934 -3.197 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -11.311 -1.458 -3.157 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -11.587 -1.065 -1.472 1.00 0.00 H new ATOM 0 HE ARG A 46 -12.856 0.176 -3.808 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -12.044 0.484 -0.386 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -13.340 1.641 -0.064 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -14.517 1.663 -3.387 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -14.735 2.306 -1.756 1.00 0.00 H new ATOM 664 N VAL A 47 -8.367 -3.821 -1.368 1.00 0.00 N ATOM 665 CA VAL A 47 -7.826 -5.148 -1.634 1.00 0.00 C ATOM 666 C VAL A 47 -7.789 -5.437 -3.131 1.00 0.00 C ATOM 667 O VAL A 47 -8.454 -4.766 -3.920 1.00 0.00 O ATOM 668 CB VAL A 47 -8.652 -6.242 -0.932 1.00 0.00 C ATOM 669 CG1 VAL A 47 -8.707 -5.990 0.567 1.00 0.00 C ATOM 670 CG2 VAL A 47 -10.052 -6.313 -1.522 1.00 0.00 C ATOM 0 H VAL A 47 -9.279 -3.822 -0.911 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.810 -5.160 -1.239 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.165 -7.203 -1.096 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.295 -6.773 1.046 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.696 -5.995 0.974 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.170 -5.022 0.756 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.622 -7.091 -1.014 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.551 -5.353 -1.390 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.988 -6.546 -2.585 1.00 0.00 H new ATOM 680 N GLY A 48 -7.006 -6.440 -3.516 1.00 0.00 N ATOM 681 CA GLY A 48 -6.897 -6.801 -4.917 1.00 0.00 C ATOM 682 C GLY A 48 -5.938 -5.903 -5.674 1.00 0.00 C ATOM 683 O GLY A 48 -5.493 -6.242 -6.771 1.00 0.00 O ATOM 0 H GLY A 48 -6.445 -7.009 -2.882 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.562 -7.835 -4.998 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -7.882 -6.748 -5.380 1.00 0.00 H new ATOM 687 N HIS A 49 -5.619 -4.753 -5.088 1.00 0.00 N ATOM 688 CA HIS A 49 -4.708 -3.803 -5.715 1.00 0.00 C ATOM 689 C HIS A 49 -3.259 -4.124 -5.359 1.00 0.00 C ATOM 690 O HIS A 49 -2.967 -4.569 -4.249 1.00 0.00 O ATOM 691 CB HIS A 49 -5.047 -2.376 -5.282 1.00 0.00 C ATOM 692 CG HIS A 49 -6.170 -1.765 -6.062 1.00 0.00 C ATOM 693 ND1 HIS A 49 -6.155 -0.458 -6.504 1.00 0.00 N ATOM 694 CD2 HIS A 49 -7.346 -2.289 -6.480 1.00 0.00 C ATOM 695 CE1 HIS A 49 -7.274 -0.205 -7.159 1.00 0.00 C ATOM 696 NE2 HIS A 49 -8.014 -1.300 -7.159 1.00 0.00 N ATOM 0 H HIS A 49 -5.978 -4.457 -4.180 1.00 0.00 H new ATOM 0 HA HIS A 49 -4.825 -3.884 -6.796 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -5.309 -2.379 -4.224 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -4.160 -1.752 -5.389 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -7.694 -3.297 -6.311 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -7.539 0.737 -7.617 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -8.932 -1.395 -7.593 1.00 0.00 H new ATOM 704 N ARG A 50 -2.357 -3.896 -6.308 1.00 0.00 N ATOM 705 CA ARG A 50 -0.940 -4.163 -6.095 1.00 0.00 C ATOM 706 C ARG A 50 -0.184 -2.873 -5.788 1.00 0.00 C ATOM 707 O ARG A 50 -0.465 -1.824 -6.368 1.00 0.00 O ATOM 708 CB ARG A 50 -0.336 -4.840 -7.326 1.00 0.00 C ATOM 709 CG ARG A 50 1.181 -4.937 -7.286 1.00 0.00 C ATOM 710 CD ARG A 50 1.684 -6.128 -8.086 1.00 0.00 C ATOM 711 NE ARG A 50 1.743 -5.841 -9.517 1.00 0.00 N ATOM 712 CZ ARG A 50 2.360 -6.620 -10.398 1.00 0.00 C ATOM 713 NH1 ARG A 50 2.968 -7.728 -9.996 1.00 0.00 N ATOM 714 NH2 ARG A 50 2.370 -6.292 -11.683 1.00 0.00 N ATOM 0 H ARG A 50 -2.583 -3.527 -7.232 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.847 -4.831 -5.239 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.753 -5.843 -7.420 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.633 -4.286 -8.217 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.616 -4.020 -7.684 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.514 -5.025 -6.252 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.676 -6.410 -7.732 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.029 -6.982 -7.914 1.00 0.00 H new ATOM 0 HE ARG A 50 1.285 -4.996 -9.858 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.962 -7.983 -9.008 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.441 -8.325 -10.674 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.903 -5.441 -11.996 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.844 -6.891 -12.359 1.00 0.00 H new ATOM 728 N ILE A 51 0.776 -2.960 -4.873 1.00 0.00 N ATOM 729 CA ILE A 51 1.572 -1.800 -4.490 1.00 0.00 C ATOM 730 C ILE A 51 2.717 -1.571 -5.472 1.00 0.00 C ATOM 731 O ILE A 51 3.430 -2.506 -5.838 1.00 0.00 O ATOM 732 CB ILE A 51 2.151 -1.958 -3.072 1.00 0.00 C ATOM 733 CG1 ILE A 51 1.058 -2.402 -2.098 1.00 0.00 C ATOM 734 CG2 ILE A 51 2.783 -0.654 -2.610 1.00 0.00 C ATOM 735 CD1 ILE A 51 -0.168 -1.516 -2.122 1.00 0.00 C ATOM 0 H ILE A 51 1.021 -3.821 -4.384 1.00 0.00 H new ATOM 0 HA ILE A 51 0.904 -0.939 -4.507 1.00 0.00 H new ATOM 0 HB ILE A 51 2.925 -2.726 -3.094 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.763 -3.424 -2.337 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.467 -2.416 -1.088 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.188 -0.782 -1.606 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.586 -0.377 -3.293 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.028 0.132 -2.600 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.901 -1.890 -1.407 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.114 -0.498 -1.854 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.601 -1.521 -3.122 1.00 0.00 H new ATOM 747 N ILE A 52 2.887 -0.322 -5.892 1.00 0.00 N ATOM 748 CA ILE A 52 3.947 0.030 -6.829 1.00 0.00 C ATOM 749 C ILE A 52 4.881 1.078 -6.233 1.00 0.00 C ATOM 750 O ILE A 52 5.966 1.326 -6.758 1.00 0.00 O ATOM 751 CB ILE A 52 3.373 0.565 -8.154 1.00 0.00 C ATOM 752 CG1 ILE A 52 2.478 1.778 -7.894 1.00 0.00 C ATOM 753 CG2 ILE A 52 2.597 -0.528 -8.874 1.00 0.00 C ATOM 754 CD1 ILE A 52 2.034 2.483 -9.157 1.00 0.00 C ATOM 0 H ILE A 52 2.305 0.463 -5.599 1.00 0.00 H new ATOM 0 HA ILE A 52 4.508 -0.883 -7.028 1.00 0.00 H new ATOM 0 HB ILE A 52 4.200 0.877 -8.792 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.597 1.457 -7.338 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.014 2.486 -7.262 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.197 -0.135 -9.809 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.261 -1.366 -9.087 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.776 -0.867 -8.243 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.403 3.333 -8.897 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.909 2.835 -9.704 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.470 1.790 -9.781 1.00 0.00 H new ATOM 766 N GLU A 53 4.452 1.688 -5.133 1.00 0.00 N ATOM 767 CA GLU A 53 5.252 2.709 -4.465 1.00 0.00 C ATOM 768 C GLU A 53 4.813 2.880 -3.014 1.00 0.00 C ATOM 769 O GLU A 53 3.647 2.671 -2.678 1.00 0.00 O ATOM 770 CB GLU A 53 5.137 4.043 -5.206 1.00 0.00 C ATOM 771 CG GLU A 53 6.365 4.926 -5.062 1.00 0.00 C ATOM 772 CD GLU A 53 6.277 6.188 -5.899 1.00 0.00 C ATOM 773 OE1 GLU A 53 5.223 6.856 -5.855 1.00 0.00 O ATOM 774 OE2 GLU A 53 7.262 6.507 -6.597 1.00 0.00 O ATOM 0 H GLU A 53 3.556 1.494 -4.686 1.00 0.00 H new ATOM 0 HA GLU A 53 6.293 2.385 -4.475 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.962 3.848 -6.264 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.266 4.582 -4.833 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.492 5.198 -4.014 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.250 4.361 -5.354 1.00 0.00 H new ATOM 781 N ILE A 54 5.755 3.262 -2.158 1.00 0.00 N ATOM 782 CA ILE A 54 5.466 3.462 -0.744 1.00 0.00 C ATOM 783 C ILE A 54 6.357 4.548 -0.149 1.00 0.00 C ATOM 784 O ILE A 54 7.566 4.565 -0.374 1.00 0.00 O ATOM 785 CB ILE A 54 5.655 2.162 0.059 1.00 0.00 C ATOM 786 CG1 ILE A 54 7.141 1.813 0.164 1.00 0.00 C ATOM 787 CG2 ILE A 54 4.883 1.022 -0.589 1.00 0.00 C ATOM 788 CD1 ILE A 54 7.832 2.462 1.343 1.00 0.00 C ATOM 0 H ILE A 54 6.725 3.439 -2.420 1.00 0.00 H new ATOM 0 HA ILE A 54 4.423 3.773 -0.676 1.00 0.00 H new ATOM 0 HB ILE A 54 5.264 2.314 1.065 1.00 0.00 H new ATOM 0 HG12 ILE A 54 7.247 0.731 0.241 1.00 0.00 H new ATOM 0 HG13 ILE A 54 7.643 2.118 -0.754 1.00 0.00 H new ATOM 0 HG21 ILE A 54 5.027 0.110 -0.010 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.822 1.271 -0.617 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.247 0.868 -1.605 1.00 0.00 H new ATOM 0 HD11 ILE A 54 8.882 2.171 1.355 1.00 0.00 H new ATOM 0 HD12 ILE A 54 7.757 3.546 1.257 1.00 0.00 H new ATOM 0 HD13 ILE A 54 7.355 2.138 2.268 1.00 0.00 H new ATOM 800 N ASN A 55 5.750 5.452 0.613 1.00 0.00 N ATOM 801 CA ASN A 55 6.488 6.541 1.242 1.00 0.00 C ATOM 802 C ASN A 55 7.497 7.146 0.271 1.00 0.00 C ATOM 803 O ASN A 55 8.569 7.597 0.674 1.00 0.00 O ATOM 804 CB ASN A 55 7.207 6.040 2.496 1.00 0.00 C ATOM 805 CG ASN A 55 6.241 5.610 3.583 1.00 0.00 C ATOM 806 OD1 ASN A 55 5.422 6.401 4.050 1.00 0.00 O ATOM 807 ND2 ASN A 55 6.333 4.349 3.991 1.00 0.00 N ATOM 0 H ASN A 55 4.749 5.452 0.810 1.00 0.00 H new ATOM 0 HA ASN A 55 5.774 7.315 1.525 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.850 5.200 2.232 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.854 6.829 2.880 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.709 4.002 4.720 1.00 0.00 H new ATOM 0 HD22 ASN A 55 7.027 3.728 3.576 1.00 0.00 H new ATOM 814 N GLY A 56 7.146 7.153 -1.012 1.00 0.00 N ATOM 815 CA GLY A 56 8.032 7.705 -2.020 1.00 0.00 C ATOM 816 C GLY A 56 9.141 6.746 -2.406 1.00 0.00 C ATOM 817 O GLY A 56 10.251 7.169 -2.726 1.00 0.00 O ATOM 0 H GLY A 56 6.264 6.786 -1.371 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.453 7.962 -2.907 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.470 8.631 -1.647 1.00 0.00 H new ATOM 821 N GLN A 57 8.840 5.452 -2.373 1.00 0.00 N ATOM 822 CA GLN A 57 9.822 4.431 -2.720 1.00 0.00 C ATOM 823 C GLN A 57 9.217 3.390 -3.656 1.00 0.00 C ATOM 824 O GLN A 57 8.225 2.742 -3.322 1.00 0.00 O ATOM 825 CB GLN A 57 10.351 3.752 -1.456 1.00 0.00 C ATOM 826 CG GLN A 57 11.430 4.551 -0.743 1.00 0.00 C ATOM 827 CD GLN A 57 12.033 3.801 0.429 1.00 0.00 C ATOM 828 OE1 GLN A 57 11.804 4.149 1.588 1.00 0.00 O ATOM 829 NE2 GLN A 57 12.809 2.765 0.133 1.00 0.00 N ATOM 0 H GLN A 57 7.925 5.086 -2.110 1.00 0.00 H new ATOM 0 HA GLN A 57 10.650 4.919 -3.235 1.00 0.00 H new ATOM 0 HB2 GLN A 57 9.521 3.584 -0.769 1.00 0.00 H new ATOM 0 HB3 GLN A 57 10.750 2.772 -1.719 1.00 0.00 H new ATOM 0 HG2 GLN A 57 12.218 4.804 -1.452 1.00 0.00 H new ATOM 0 HG3 GLN A 57 11.007 5.491 -0.389 1.00 0.00 H new ATOM 0 HE21 GLN A 57 12.972 2.512 -0.842 1.00 0.00 H new ATOM 0 HE22 GLN A 57 13.242 2.222 0.880 1.00 0.00 H new ATOM 838 N SER A 58 9.821 3.233 -4.829 1.00 0.00 N ATOM 839 CA SER A 58 9.340 2.273 -5.815 1.00 0.00 C ATOM 840 C SER A 58 9.381 0.854 -5.257 1.00 0.00 C ATOM 841 O SER A 58 10.449 0.329 -4.942 1.00 0.00 O ATOM 842 CB SER A 58 10.179 2.356 -7.091 1.00 0.00 C ATOM 843 OG SER A 58 11.551 2.131 -6.815 1.00 0.00 O ATOM 0 H SER A 58 10.645 3.759 -5.120 1.00 0.00 H new ATOM 0 HA SER A 58 8.306 2.521 -6.052 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.824 1.619 -7.812 1.00 0.00 H new ATOM 0 HB3 SER A 58 10.053 3.337 -7.550 1.00 0.00 H new ATOM 0 HG SER A 58 11.636 1.523 -6.051 1.00 0.00 H new ATOM 849 N VAL A 59 8.210 0.238 -5.137 1.00 0.00 N ATOM 850 CA VAL A 59 8.110 -1.121 -4.618 1.00 0.00 C ATOM 851 C VAL A 59 7.752 -2.107 -5.724 1.00 0.00 C ATOM 852 O VAL A 59 7.720 -3.318 -5.505 1.00 0.00 O ATOM 853 CB VAL A 59 7.057 -1.219 -3.498 1.00 0.00 C ATOM 854 CG1 VAL A 59 7.447 -0.338 -2.321 1.00 0.00 C ATOM 855 CG2 VAL A 59 5.682 -0.840 -4.026 1.00 0.00 C ATOM 0 H VAL A 59 7.316 0.658 -5.392 1.00 0.00 H new ATOM 0 HA VAL A 59 9.088 -1.376 -4.210 1.00 0.00 H new ATOM 0 HB VAL A 59 7.015 -2.251 -3.150 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.692 -0.420 -1.539 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.411 -0.661 -1.929 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.518 0.699 -2.650 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.950 -0.915 -3.222 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.706 0.183 -4.401 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.403 -1.516 -4.834 1.00 0.00 H new ATOM 865 N VAL A 60 7.484 -1.581 -6.915 1.00 0.00 N ATOM 866 CA VAL A 60 7.130 -2.415 -8.057 1.00 0.00 C ATOM 867 C VAL A 60 8.151 -3.528 -8.263 1.00 0.00 C ATOM 868 O VAL A 60 7.853 -4.552 -8.876 1.00 0.00 O ATOM 869 CB VAL A 60 7.027 -1.582 -9.349 1.00 0.00 C ATOM 870 CG1 VAL A 60 8.186 -0.602 -9.447 1.00 0.00 C ATOM 871 CG2 VAL A 60 6.983 -2.493 -10.567 1.00 0.00 C ATOM 0 H VAL A 60 7.505 -0.581 -7.114 1.00 0.00 H new ATOM 0 HA VAL A 60 6.157 -2.855 -7.838 1.00 0.00 H new ATOM 0 HB VAL A 60 6.100 -1.009 -9.319 1.00 0.00 H new ATOM 0 HG11 VAL A 60 8.096 -0.023 -10.366 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.166 0.071 -8.590 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.127 -1.151 -9.455 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.910 -1.888 -11.471 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.891 -3.094 -10.605 1.00 0.00 H new ATOM 0 HG23 VAL A 60 6.116 -3.150 -10.499 1.00 0.00 H new ATOM 881 N ALA A 61 9.357 -3.319 -7.746 1.00 0.00 N ATOM 882 CA ALA A 61 10.423 -4.306 -7.870 1.00 0.00 C ATOM 883 C ALA A 61 10.899 -4.776 -6.500 1.00 0.00 C ATOM 884 O ALA A 61 11.363 -5.906 -6.345 1.00 0.00 O ATOM 885 CB ALA A 61 11.585 -3.731 -8.666 1.00 0.00 C ATOM 0 H ALA A 61 9.621 -2.475 -7.237 1.00 0.00 H new ATOM 0 HA ALA A 61 10.024 -5.169 -8.402 1.00 0.00 H new ATOM 0 HB1 ALA A 61 12.373 -4.479 -8.751 1.00 0.00 H new ATOM 0 HB2 ALA A 61 11.241 -3.452 -9.662 1.00 0.00 H new ATOM 0 HB3 ALA A 61 11.974 -2.849 -8.157 1.00 0.00 H new ATOM 891 N THR A 62 10.783 -3.900 -5.506 1.00 0.00 N ATOM 892 CA THR A 62 11.203 -4.225 -4.149 1.00 0.00 C ATOM 893 C THR A 62 10.663 -5.583 -3.715 1.00 0.00 C ATOM 894 O THR A 62 9.517 -5.938 -3.990 1.00 0.00 O ATOM 895 CB THR A 62 10.735 -3.155 -3.145 1.00 0.00 C ATOM 896 OG1 THR A 62 11.335 -1.893 -3.458 1.00 0.00 O ATOM 897 CG2 THR A 62 11.094 -3.554 -1.721 1.00 0.00 C ATOM 0 H THR A 62 10.402 -2.960 -5.616 1.00 0.00 H new ATOM 0 HA THR A 62 12.293 -4.256 -4.155 1.00 0.00 H new ATOM 0 HB THR A 62 9.651 -3.069 -3.219 1.00 0.00 H new ATOM 0 HG1 THR A 62 11.031 -1.218 -2.816 1.00 0.00 H new ATOM 0 HG21 THR A 62 10.753 -2.783 -1.030 1.00 0.00 H new ATOM 0 HG22 THR A 62 10.611 -4.500 -1.476 1.00 0.00 H new ATOM 0 HG23 THR A 62 12.175 -3.665 -1.636 1.00 0.00 H new ATOM 905 N PRO A 63 11.506 -6.362 -3.021 1.00 0.00 N ATOM 906 CA PRO A 63 11.133 -7.693 -2.534 1.00 0.00 C ATOM 907 C PRO A 63 10.107 -7.633 -1.408 1.00 0.00 C ATOM 908 O PRO A 63 10.178 -6.767 -0.535 1.00 0.00 O ATOM 909 CB PRO A 63 12.457 -8.266 -2.020 1.00 0.00 C ATOM 910 CG PRO A 63 13.278 -7.071 -1.675 1.00 0.00 C ATOM 911 CD PRO A 63 12.887 -6.002 -2.657 1.00 0.00 C ATOM 0 HA PRO A 63 10.665 -8.295 -3.313 1.00 0.00 H new ATOM 0 HB2 PRO A 63 12.301 -8.904 -1.150 1.00 0.00 H new ATOM 0 HB3 PRO A 63 12.946 -8.876 -2.779 1.00 0.00 H new ATOM 0 HG2 PRO A 63 13.087 -6.749 -0.651 1.00 0.00 H new ATOM 0 HG3 PRO A 63 14.342 -7.295 -1.746 1.00 0.00 H new ATOM 0 HD2 PRO A 63 12.939 -5.009 -2.212 1.00 0.00 H new ATOM 0 HD3 PRO A 63 13.543 -5.996 -3.527 1.00 0.00 H new ATOM 919 N HIS A 64 9.152 -8.557 -1.433 1.00 0.00 N ATOM 920 CA HIS A 64 8.111 -8.609 -0.413 1.00 0.00 C ATOM 921 C HIS A 64 8.668 -8.218 0.952 1.00 0.00 C ATOM 922 O HIS A 64 8.138 -7.329 1.617 1.00 0.00 O ATOM 923 CB HIS A 64 7.502 -10.010 -0.347 1.00 0.00 C ATOM 924 CG HIS A 64 6.436 -10.151 0.696 1.00 0.00 C ATOM 925 ND1 HIS A 64 5.089 -10.151 0.400 1.00 0.00 N ATOM 926 CD2 HIS A 64 6.525 -10.300 2.038 1.00 0.00 C ATOM 927 CE1 HIS A 64 4.396 -10.291 1.516 1.00 0.00 C ATOM 928 NE2 HIS A 64 5.244 -10.384 2.525 1.00 0.00 N ATOM 0 H HIS A 64 9.078 -9.280 -2.149 1.00 0.00 H new ATOM 0 HA HIS A 64 7.333 -7.896 -0.686 1.00 0.00 H new ATOM 0 HB2 HIS A 64 7.081 -10.261 -1.321 1.00 0.00 H new ATOM 0 HB3 HIS A 64 8.293 -10.732 -0.146 1.00 0.00 H new ATOM 0 HD2 HIS A 64 7.435 -10.345 2.618 1.00 0.00 H new ATOM 0 HE1 HIS A 64 3.319 -10.324 1.591 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.989 -10.499 3.506 1.00 0.00 H new ATOM 936 N ALA A 65 9.738 -8.890 1.364 1.00 0.00 N ATOM 937 CA ALA A 65 10.367 -8.612 2.649 1.00 0.00 C ATOM 938 C ALA A 65 10.434 -7.112 2.914 1.00 0.00 C ATOM 939 O ALA A 65 9.780 -6.603 3.824 1.00 0.00 O ATOM 940 CB ALA A 65 11.760 -9.221 2.697 1.00 0.00 C ATOM 0 H ALA A 65 10.187 -9.631 0.826 1.00 0.00 H new ATOM 0 HA ALA A 65 9.757 -9.066 3.430 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.218 -9.006 3.662 1.00 0.00 H new ATOM 0 HB2 ALA A 65 11.690 -10.300 2.561 1.00 0.00 H new ATOM 0 HB3 ALA A 65 12.371 -8.794 1.902 1.00 0.00 H new ATOM 946 N ARG A 66 11.230 -6.409 2.114 1.00 0.00 N ATOM 947 CA ARG A 66 11.384 -4.967 2.264 1.00 0.00 C ATOM 948 C ARG A 66 10.024 -4.285 2.385 1.00 0.00 C ATOM 949 O ARG A 66 9.753 -3.589 3.364 1.00 0.00 O ATOM 950 CB ARG A 66 12.152 -4.388 1.074 1.00 0.00 C ATOM 951 CG ARG A 66 13.659 -4.377 1.270 1.00 0.00 C ATOM 952 CD ARG A 66 14.054 -3.588 2.509 1.00 0.00 C ATOM 953 NE ARG A 66 15.381 -2.993 2.379 1.00 0.00 N ATOM 954 CZ ARG A 66 15.660 -1.991 1.553 1.00 0.00 C ATOM 955 NH1 ARG A 66 14.708 -1.474 0.788 1.00 0.00 N ATOM 956 NH2 ARG A 66 16.892 -1.503 1.491 1.00 0.00 N ATOM 0 H ARG A 66 11.778 -6.815 1.356 1.00 0.00 H new ATOM 0 HA ARG A 66 11.948 -4.780 3.178 1.00 0.00 H new ATOM 0 HB2 ARG A 66 11.914 -4.968 0.182 1.00 0.00 H new ATOM 0 HB3 ARG A 66 11.810 -3.369 0.893 1.00 0.00 H new ATOM 0 HG2 ARG A 66 14.023 -5.401 1.358 1.00 0.00 H new ATOM 0 HG3 ARG A 66 14.138 -3.942 0.393 1.00 0.00 H new ATOM 0 HD2 ARG A 66 13.320 -2.802 2.687 1.00 0.00 H new ATOM 0 HD3 ARG A 66 14.035 -4.245 3.378 1.00 0.00 H new ATOM 0 HE ARG A 66 16.135 -3.368 2.954 1.00 0.00 H new ATOM 0 HH11 ARG A 66 13.759 -1.846 0.833 1.00 0.00 H new ATOM 0 HH12 ARG A 66 14.925 -0.705 0.154 1.00 0.00 H new ATOM 0 HH21 ARG A 66 17.627 -1.897 2.078 1.00 0.00 H new ATOM 0 HH22 ARG A 66 17.104 -0.734 0.856 1.00 0.00 H new ATOM 970 N ILE A 67 9.174 -4.489 1.385 1.00 0.00 N ATOM 971 CA ILE A 67 7.843 -3.895 1.380 1.00 0.00 C ATOM 972 C ILE A 67 7.217 -3.938 2.770 1.00 0.00 C ATOM 973 O ILE A 67 6.520 -3.008 3.177 1.00 0.00 O ATOM 974 CB ILE A 67 6.910 -4.611 0.386 1.00 0.00 C ATOM 975 CG1 ILE A 67 7.447 -4.476 -1.040 1.00 0.00 C ATOM 976 CG2 ILE A 67 5.500 -4.047 0.483 1.00 0.00 C ATOM 977 CD1 ILE A 67 6.792 -5.419 -2.024 1.00 0.00 C ATOM 0 H ILE A 67 9.383 -5.061 0.567 1.00 0.00 H new ATOM 0 HA ILE A 67 7.962 -2.857 1.070 1.00 0.00 H new ATOM 0 HB ILE A 67 6.875 -5.670 0.642 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.300 -3.451 -1.379 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.521 -4.659 -1.034 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.852 -4.563 -0.226 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.119 -4.191 1.494 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.517 -2.982 0.250 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.222 -5.268 -3.014 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.961 -6.449 -1.709 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.721 -5.221 -2.059 1.00 0.00 H new ATOM 989 N ILE A 68 7.471 -5.023 3.494 1.00 0.00 N ATOM 990 CA ILE A 68 6.935 -5.186 4.840 1.00 0.00 C ATOM 991 C ILE A 68 7.696 -4.325 5.842 1.00 0.00 C ATOM 992 O ILE A 68 7.099 -3.538 6.577 1.00 0.00 O ATOM 993 CB ILE A 68 6.993 -6.656 5.294 1.00 0.00 C ATOM 994 CG1 ILE A 68 6.313 -7.559 4.263 1.00 0.00 C ATOM 995 CG2 ILE A 68 6.338 -6.815 6.658 1.00 0.00 C ATOM 996 CD1 ILE A 68 4.814 -7.655 4.438 1.00 0.00 C ATOM 0 H ILE A 68 8.045 -5.802 3.171 1.00 0.00 H new ATOM 0 HA ILE A 68 5.894 -4.866 4.807 1.00 0.00 H new ATOM 0 HB ILE A 68 8.038 -6.954 5.377 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.530 -7.183 3.263 1.00 0.00 H new ATOM 0 HG13 ILE A 68 6.743 -8.559 4.328 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.387 -7.860 6.966 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.862 -6.197 7.387 1.00 0.00 H new ATOM 0 HG23 ILE A 68 5.295 -6.502 6.600 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.400 -8.311 3.673 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.588 -8.060 5.424 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.372 -6.663 4.343 1.00 0.00 H new ATOM 1008 N GLU A 69 9.016 -4.479 5.865 1.00 0.00 N ATOM 1009 CA GLU A 69 9.858 -3.714 6.778 1.00 0.00 C ATOM 1010 C GLU A 69 9.654 -2.215 6.579 1.00 0.00 C ATOM 1011 O GLU A 69 9.296 -1.496 7.512 1.00 0.00 O ATOM 1012 CB GLU A 69 11.331 -4.073 6.569 1.00 0.00 C ATOM 1013 CG GLU A 69 11.793 -5.257 7.400 1.00 0.00 C ATOM 1014 CD GLU A 69 13.248 -5.608 7.158 1.00 0.00 C ATOM 1015 OE1 GLU A 69 13.747 -5.337 6.045 1.00 0.00 O ATOM 1016 OE2 GLU A 69 13.888 -6.154 8.081 1.00 0.00 O ATOM 0 H GLU A 69 9.525 -5.126 5.263 1.00 0.00 H new ATOM 0 HA GLU A 69 9.571 -3.969 7.798 1.00 0.00 H new ATOM 0 HB2 GLU A 69 11.496 -4.294 5.514 1.00 0.00 H new ATOM 0 HB3 GLU A 69 11.946 -3.207 6.813 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.648 -5.033 8.457 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.171 -6.122 7.170 1.00 0.00 H new ATOM 1023 N LEU A 70 9.886 -1.750 5.356 1.00 0.00 N ATOM 1024 CA LEU A 70 9.729 -0.336 5.033 1.00 0.00 C ATOM 1025 C LEU A 70 8.410 0.203 5.576 1.00 0.00 C ATOM 1026 O LEU A 70 8.394 1.059 6.461 1.00 0.00 O ATOM 1027 CB LEU A 70 9.793 -0.129 3.519 1.00 0.00 C ATOM 1028 CG LEU A 70 11.191 0.043 2.923 1.00 0.00 C ATOM 1029 CD1 LEU A 70 11.111 0.223 1.415 1.00 0.00 C ATOM 1030 CD2 LEU A 70 11.904 1.223 3.566 1.00 0.00 C ATOM 0 H LEU A 70 10.183 -2.331 4.572 1.00 0.00 H new ATOM 0 HA LEU A 70 10.545 0.212 5.503 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.316 -0.982 3.035 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.202 0.752 3.268 1.00 0.00 H new ATOM 0 HG LEU A 70 11.766 -0.860 3.130 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.115 0.344 1.009 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.642 -0.654 0.968 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.518 1.108 1.185 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.897 1.330 3.129 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.331 2.134 3.391 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.996 1.052 4.639 1.00 0.00 H new ATOM 1042 N LEU A 71 7.304 -0.304 5.042 1.00 0.00 N ATOM 1043 CA LEU A 71 5.979 0.125 5.475 1.00 0.00 C ATOM 1044 C LEU A 71 5.901 0.200 6.996 1.00 0.00 C ATOM 1045 O LEU A 71 5.748 1.279 7.569 1.00 0.00 O ATOM 1046 CB LEU A 71 4.912 -0.835 4.944 1.00 0.00 C ATOM 1047 CG LEU A 71 4.369 -0.529 3.548 1.00 0.00 C ATOM 1048 CD1 LEU A 71 3.669 -1.749 2.969 1.00 0.00 C ATOM 1049 CD2 LEU A 71 3.421 0.660 3.593 1.00 0.00 C ATOM 0 H LEU A 71 7.299 -1.013 4.308 1.00 0.00 H new ATOM 0 HA LEU A 71 5.796 1.121 5.071 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.329 -1.842 4.937 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.076 -0.841 5.644 1.00 0.00 H new ATOM 0 HG LEU A 71 5.208 -0.275 2.900 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.289 -1.513 1.975 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.376 -2.576 2.900 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.840 -2.034 3.616 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.044 0.863 2.591 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.586 0.434 4.256 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.953 1.536 3.965 1.00 0.00 H new ATOM 1061 N THR A 72 6.008 -0.954 7.647 1.00 0.00 N ATOM 1062 CA THR A 72 5.951 -1.020 9.102 1.00 0.00 C ATOM 1063 C THR A 72 6.803 0.074 9.735 1.00 0.00 C ATOM 1064 O THR A 72 6.361 0.762 10.655 1.00 0.00 O ATOM 1065 CB THR A 72 6.424 -2.390 9.622 1.00 0.00 C ATOM 1066 OG1 THR A 72 5.596 -3.430 9.089 1.00 0.00 O ATOM 1067 CG2 THR A 72 6.388 -2.435 11.142 1.00 0.00 C ATOM 0 H THR A 72 6.135 -1.857 7.189 1.00 0.00 H new ATOM 0 HA THR A 72 4.908 -0.874 9.384 1.00 0.00 H new ATOM 0 HB THR A 72 7.453 -2.542 9.295 1.00 0.00 H new ATOM 0 HG1 THR A 72 5.907 -3.667 8.190 1.00 0.00 H new ATOM 0 HG21 THR A 72 6.726 -3.413 11.485 1.00 0.00 H new ATOM 0 HG22 THR A 72 7.043 -1.662 11.544 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.369 -2.262 11.487 1.00 0.00 H new ATOM 1075 N GLU A 73 8.026 0.228 9.237 1.00 0.00 N ATOM 1076 CA GLU A 73 8.939 1.239 9.757 1.00 0.00 C ATOM 1077 C GLU A 73 8.330 2.633 9.641 1.00 0.00 C ATOM 1078 O GLU A 73 8.571 3.499 10.482 1.00 0.00 O ATOM 1079 CB GLU A 73 10.271 1.189 9.005 1.00 0.00 C ATOM 1080 CG GLU A 73 11.161 0.029 9.420 1.00 0.00 C ATOM 1081 CD GLU A 73 12.463 -0.014 8.645 1.00 0.00 C ATOM 1082 OE1 GLU A 73 12.432 -0.381 7.451 1.00 0.00 O ATOM 1083 OE2 GLU A 73 13.514 0.320 9.232 1.00 0.00 O ATOM 0 H GLU A 73 8.407 -0.334 8.475 1.00 0.00 H new ATOM 0 HA GLU A 73 9.116 1.025 10.811 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.072 1.119 7.936 1.00 0.00 H new ATOM 0 HB3 GLU A 73 10.807 2.124 9.169 1.00 0.00 H new ATOM 0 HG2 GLU A 73 11.379 0.106 10.485 1.00 0.00 H new ATOM 0 HG3 GLU A 73 10.623 -0.908 9.272 1.00 0.00 H new ATOM 1090 N ALA A 74 7.540 2.843 8.593 1.00 0.00 N ATOM 1091 CA ALA A 74 6.895 4.130 8.368 1.00 0.00 C ATOM 1092 C ALA A 74 5.852 4.417 9.443 1.00 0.00 C ATOM 1093 O ALA A 74 4.871 3.687 9.581 1.00 0.00 O ATOM 1094 CB ALA A 74 6.256 4.166 6.988 1.00 0.00 C ATOM 0 H ALA A 74 7.332 2.138 7.886 1.00 0.00 H new ATOM 0 HA ALA A 74 7.659 4.906 8.423 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.778 5.133 6.834 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.023 4.015 6.228 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.509 3.376 6.912 1.00 0.00 H new ATOM 1100 N TYR A 75 6.072 5.484 10.203 1.00 0.00 N ATOM 1101 CA TYR A 75 5.153 5.866 11.269 1.00 0.00 C ATOM 1102 C TYR A 75 4.287 7.049 10.844 1.00 0.00 C ATOM 1103 O TYR A 75 4.519 7.660 9.801 1.00 0.00 O ATOM 1104 CB TYR A 75 5.929 6.218 12.539 1.00 0.00 C ATOM 1105 CG TYR A 75 7.231 5.463 12.682 1.00 0.00 C ATOM 1106 CD1 TYR A 75 8.396 5.926 12.084 1.00 0.00 C ATOM 1107 CD2 TYR A 75 7.296 4.285 13.417 1.00 0.00 C ATOM 1108 CE1 TYR A 75 9.587 5.239 12.211 1.00 0.00 C ATOM 1109 CE2 TYR A 75 8.483 3.592 13.551 1.00 0.00 C ATOM 1110 CZ TYR A 75 9.625 4.072 12.946 1.00 0.00 C ATOM 1111 OH TYR A 75 10.810 3.385 13.077 1.00 0.00 O ATOM 0 H TYR A 75 6.879 6.100 10.101 1.00 0.00 H new ATOM 0 HA TYR A 75 4.501 5.017 11.474 1.00 0.00 H new ATOM 0 HB2 TYR A 75 6.137 7.288 12.543 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.302 6.012 13.407 1.00 0.00 H new ATOM 0 HD1 TYR A 75 8.370 6.840 11.509 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.403 3.905 13.891 1.00 0.00 H new ATOM 0 HE1 TYR A 75 10.483 5.613 11.738 1.00 0.00 H new ATOM 0 HE2 TYR A 75 8.516 2.679 14.127 1.00 0.00 H new ATOM 0 HH TYR A 75 10.666 2.586 13.626 1.00 0.00 H new ATOM 1121 N GLY A 76 3.288 7.366 11.661 1.00 0.00 N ATOM 1122 CA GLY A 76 2.402 8.474 11.355 1.00 0.00 C ATOM 1123 C GLY A 76 1.827 8.386 9.955 1.00 0.00 C ATOM 1124 O GLY A 76 1.171 7.405 9.608 1.00 0.00 O ATOM 0 H GLY A 76 3.076 6.875 12.530 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.587 8.494 12.079 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.947 9.412 11.462 1.00 0.00 H new ATOM 1128 N GLU A 77 2.071 9.416 9.151 1.00 0.00 N ATOM 1129 CA GLU A 77 1.570 9.451 7.782 1.00 0.00 C ATOM 1130 C GLU A 77 2.351 8.489 6.891 1.00 0.00 C ATOM 1131 O GLU A 77 3.582 8.503 6.873 1.00 0.00 O ATOM 1132 CB GLU A 77 1.658 10.871 7.219 1.00 0.00 C ATOM 1133 CG GLU A 77 1.344 10.958 5.735 1.00 0.00 C ATOM 1134 CD GLU A 77 1.216 12.388 5.248 1.00 0.00 C ATOM 1135 OE1 GLU A 77 2.259 13.055 5.084 1.00 0.00 O ATOM 1136 OE2 GLU A 77 0.072 12.841 5.032 1.00 0.00 O ATOM 0 H GLU A 77 2.612 10.237 9.424 1.00 0.00 H new ATOM 0 HA GLU A 77 0.526 9.138 7.797 1.00 0.00 H new ATOM 0 HB2 GLU A 77 0.968 11.513 7.766 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.661 11.260 7.393 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.130 10.455 5.171 1.00 0.00 H new ATOM 0 HG3 GLU A 77 0.415 10.425 5.532 1.00 0.00 H new ATOM 1143 N VAL A 78 1.626 7.653 6.154 1.00 0.00 N ATOM 1144 CA VAL A 78 2.250 6.684 5.261 1.00 0.00 C ATOM 1145 C VAL A 78 1.581 6.690 3.891 1.00 0.00 C ATOM 1146 O VAL A 78 0.469 6.184 3.729 1.00 0.00 O ATOM 1147 CB VAL A 78 2.187 5.260 5.845 1.00 0.00 C ATOM 1148 CG1 VAL A 78 2.888 4.274 4.924 1.00 0.00 C ATOM 1149 CG2 VAL A 78 2.798 5.229 7.238 1.00 0.00 C ATOM 0 H VAL A 78 0.606 7.627 6.158 1.00 0.00 H new ATOM 0 HA VAL A 78 3.294 6.978 5.154 1.00 0.00 H new ATOM 0 HB VAL A 78 1.141 4.964 5.925 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.833 3.273 5.353 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.401 4.278 3.949 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.933 4.563 4.809 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.745 4.216 7.636 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.840 5.544 7.185 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.247 5.905 7.892 1.00 0.00 H new ATOM 1159 N HIS A 79 2.265 7.264 2.907 1.00 0.00 N ATOM 1160 CA HIS A 79 1.737 7.334 1.549 1.00 0.00 C ATOM 1161 C HIS A 79 1.882 5.991 0.839 1.00 0.00 C ATOM 1162 O HIS A 79 2.995 5.531 0.583 1.00 0.00 O ATOM 1163 CB HIS A 79 2.458 8.424 0.755 1.00 0.00 C ATOM 1164 CG HIS A 79 1.999 9.811 1.088 1.00 0.00 C ATOM 1165 ND1 HIS A 79 1.824 10.794 0.138 1.00 0.00 N ATOM 1166 CD2 HIS A 79 1.678 10.375 2.276 1.00 0.00 C ATOM 1167 CE1 HIS A 79 1.417 11.904 0.727 1.00 0.00 C ATOM 1168 NE2 HIS A 79 1.319 11.676 2.024 1.00 0.00 N ATOM 0 H HIS A 79 3.186 7.687 3.024 1.00 0.00 H new ATOM 0 HA HIS A 79 0.677 7.580 1.610 1.00 0.00 H new ATOM 0 HB2 HIS A 79 3.529 8.350 0.942 1.00 0.00 H new ATOM 0 HB3 HIS A 79 2.307 8.246 -0.310 1.00 0.00 H new ATOM 0 HD1 HIS A 79 1.984 10.682 -0.863 1.00 0.00 H new ATOM 0 HD2 HIS A 79 1.700 9.892 3.242 1.00 0.00 H new ATOM 0 HE1 HIS A 79 1.201 12.839 0.232 1.00 0.00 H new ATOM 1176 N ILE A 80 0.751 5.368 0.526 1.00 0.00 N ATOM 1177 CA ILE A 80 0.753 4.079 -0.154 1.00 0.00 C ATOM 1178 C ILE A 80 0.103 4.181 -1.529 1.00 0.00 C ATOM 1179 O ILE A 80 -1.108 4.372 -1.643 1.00 0.00 O ATOM 1180 CB ILE A 80 0.017 3.006 0.671 1.00 0.00 C ATOM 1181 CG1 ILE A 80 0.702 2.815 2.026 1.00 0.00 C ATOM 1182 CG2 ILE A 80 -0.032 1.692 -0.093 1.00 0.00 C ATOM 1183 CD1 ILE A 80 -0.027 1.857 2.941 1.00 0.00 C ATOM 0 H ILE A 80 -0.178 5.735 0.732 1.00 0.00 H new ATOM 0 HA ILE A 80 1.796 3.785 -0.269 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.006 3.341 0.845 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.716 2.449 1.863 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.788 3.783 2.520 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.555 0.944 0.503 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.559 1.839 -1.036 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.983 1.350 -0.295 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.515 1.770 3.883 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.032 2.232 3.134 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.090 0.878 2.467 1.00 0.00 H new ATOM 1195 N LYS A 81 0.915 4.052 -2.573 1.00 0.00 N ATOM 1196 CA LYS A 81 0.420 4.127 -3.942 1.00 0.00 C ATOM 1197 C LYS A 81 -0.095 2.769 -4.409 1.00 0.00 C ATOM 1198 O LYS A 81 0.687 1.856 -4.679 1.00 0.00 O ATOM 1199 CB LYS A 81 1.526 4.616 -4.880 1.00 0.00 C ATOM 1200 CG LYS A 81 1.008 5.392 -6.079 1.00 0.00 C ATOM 1201 CD LYS A 81 2.026 6.410 -6.566 1.00 0.00 C ATOM 1202 CE LYS A 81 1.350 7.597 -7.234 1.00 0.00 C ATOM 1203 NZ LYS A 81 2.211 8.204 -8.287 1.00 0.00 N ATOM 0 H LYS A 81 1.920 3.895 -2.497 1.00 0.00 H new ATOM 0 HA LYS A 81 -0.407 4.837 -3.965 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.214 5.248 -4.318 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.098 3.758 -5.233 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.769 4.700 -6.886 1.00 0.00 H new ATOM 0 HG3 LYS A 81 0.082 5.901 -5.812 1.00 0.00 H new ATOM 0 HD2 LYS A 81 2.626 6.757 -5.725 1.00 0.00 H new ATOM 0 HD3 LYS A 81 2.709 5.935 -7.270 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.407 7.276 -7.676 1.00 0.00 H new ATOM 0 HE3 LYS A 81 1.110 8.349 -6.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 1.715 9.010 -8.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 3.101 8.533 -7.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 2.419 7.494 -9.018 1.00 0.00 H new ATOM 1217 N THR A 82 -1.415 2.642 -4.505 1.00 0.00 N ATOM 1218 CA THR A 82 -2.033 1.397 -4.940 1.00 0.00 C ATOM 1219 C THR A 82 -2.357 1.434 -6.429 1.00 0.00 C ATOM 1220 O THR A 82 -2.703 2.483 -6.972 1.00 0.00 O ATOM 1221 CB THR A 82 -3.325 1.106 -4.153 1.00 0.00 C ATOM 1222 OG1 THR A 82 -4.106 2.301 -4.035 1.00 0.00 O ATOM 1223 CG2 THR A 82 -3.005 0.565 -2.768 1.00 0.00 C ATOM 0 H THR A 82 -2.076 3.387 -4.287 1.00 0.00 H new ATOM 0 HA THR A 82 -1.312 0.603 -4.747 1.00 0.00 H new ATOM 0 HB THR A 82 -3.894 0.352 -4.697 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.983 2.853 -4.836 1.00 0.00 H new ATOM 0 HG21 THR A 82 -3.933 0.367 -2.231 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.435 -0.360 -2.861 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.417 1.299 -2.217 1.00 0.00 H new ATOM 1231 N MET A 83 -2.242 0.283 -7.084 1.00 0.00 N ATOM 1232 CA MET A 83 -2.525 0.185 -8.511 1.00 0.00 C ATOM 1233 C MET A 83 -2.958 -1.229 -8.884 1.00 0.00 C ATOM 1234 O MET A 83 -2.419 -2.220 -8.389 1.00 0.00 O ATOM 1235 CB MET A 83 -1.292 0.585 -9.325 1.00 0.00 C ATOM 1236 CG MET A 83 -1.627 1.145 -10.698 1.00 0.00 C ATOM 1237 SD MET A 83 -0.211 1.932 -11.491 1.00 0.00 S ATOM 1238 CE MET A 83 -0.992 2.669 -12.925 1.00 0.00 C ATOM 0 H MET A 83 -1.955 -0.594 -6.649 1.00 0.00 H new ATOM 0 HA MET A 83 -3.342 0.868 -8.742 1.00 0.00 H new ATOM 0 HB2 MET A 83 -0.724 1.329 -8.767 1.00 0.00 H new ATOM 0 HB3 MET A 83 -0.647 -0.286 -9.444 1.00 0.00 H new ATOM 0 HG2 MET A 83 -1.994 0.340 -11.335 1.00 0.00 H new ATOM 0 HG3 MET A 83 -2.435 1.870 -10.603 1.00 0.00 H new ATOM 0 HE1 MET A 83 -0.266 3.281 -13.460 1.00 0.00 H new ATOM 0 HE2 MET A 83 -1.359 1.882 -13.584 1.00 0.00 H new ATOM 0 HE3 MET A 83 -1.827 3.292 -12.605 1.00 0.00 H new ATOM 1248 N PRO A 84 -3.954 -1.328 -9.776 1.00 0.00 N ATOM 1249 CA PRO A 84 -4.481 -2.617 -10.235 1.00 0.00 C ATOM 1250 C PRO A 84 -3.488 -3.370 -11.113 1.00 0.00 C ATOM 1251 O PRO A 84 -2.877 -2.792 -12.011 1.00 0.00 O ATOM 1252 CB PRO A 84 -5.721 -2.226 -11.043 1.00 0.00 C ATOM 1253 CG PRO A 84 -5.452 -0.833 -11.499 1.00 0.00 C ATOM 1254 CD PRO A 84 -4.642 -0.190 -10.407 1.00 0.00 C ATOM 0 HA PRO A 84 -4.692 -3.290 -9.404 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -5.871 -2.897 -11.889 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -6.623 -2.276 -10.433 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -4.907 -0.830 -12.443 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -6.382 -0.290 -11.666 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -3.934 0.536 -10.807 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -5.276 0.341 -9.696 1.00 0.00 H new ATOM 1262 N ALA A 85 -3.332 -4.663 -10.848 1.00 0.00 N ATOM 1263 CA ALA A 85 -2.414 -5.495 -11.616 1.00 0.00 C ATOM 1264 C ALA A 85 -2.755 -5.460 -13.102 1.00 0.00 C ATOM 1265 O ALA A 85 -1.866 -5.413 -13.952 1.00 0.00 O ATOM 1266 CB ALA A 85 -2.442 -6.926 -11.100 1.00 0.00 C ATOM 0 H ALA A 85 -3.830 -5.157 -10.107 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.408 -5.095 -11.491 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.752 -7.536 -11.682 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.143 -6.941 -10.052 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.451 -7.328 -11.196 1.00 0.00 H new ATOM 1272 N ALA A 86 -4.048 -5.485 -13.409 1.00 0.00 N ATOM 1273 CA ALA A 86 -4.506 -5.455 -14.792 1.00 0.00 C ATOM 1274 C ALA A 86 -3.926 -4.257 -15.537 1.00 0.00 C ATOM 1275 O ALA A 86 -3.172 -4.415 -16.498 1.00 0.00 O ATOM 1276 CB ALA A 86 -6.026 -5.425 -14.845 1.00 0.00 C ATOM 0 H ALA A 86 -4.797 -5.526 -12.718 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.154 -6.362 -15.284 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.353 -5.403 -15.884 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.425 -6.315 -14.358 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.391 -4.536 -14.331 1.00 0.00 H new ATOM 1282 N THR A 87 -4.282 -3.057 -15.087 1.00 0.00 N ATOM 1283 CA THR A 87 -3.798 -1.833 -15.712 1.00 0.00 C ATOM 1284 C THR A 87 -2.276 -1.825 -15.801 1.00 0.00 C ATOM 1285 O THR A 87 -1.708 -1.913 -16.890 1.00 0.00 O ATOM 1286 CB THR A 87 -4.261 -0.585 -14.936 1.00 0.00 C ATOM 1287 OG1 THR A 87 -5.654 -0.694 -14.620 1.00 0.00 O ATOM 1288 CG2 THR A 87 -4.018 0.678 -15.747 1.00 0.00 C ATOM 0 H THR A 87 -4.904 -2.908 -14.292 1.00 0.00 H new ATOM 0 HA THR A 87 -4.218 -1.804 -16.717 1.00 0.00 H new ATOM 0 HB THR A 87 -3.683 -0.522 -14.014 1.00 0.00 H new ATOM 0 HG1 THR A 87 -5.922 0.062 -14.058 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.353 1.546 -15.178 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.954 0.774 -15.961 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.573 0.622 -16.683 1.00 0.00 H new ATOM 1296 N TYR A 88 -1.621 -1.720 -14.650 1.00 0.00 N ATOM 1297 CA TYR A 88 -0.164 -1.699 -14.599 1.00 0.00 C ATOM 1298 C TYR A 88 0.431 -2.656 -15.627 1.00 0.00 C ATOM 1299 O TYR A 88 1.266 -2.267 -16.444 1.00 0.00 O ATOM 1300 CB TYR A 88 0.323 -2.071 -13.198 1.00 0.00 C ATOM 1301 CG TYR A 88 1.690 -1.517 -12.865 1.00 0.00 C ATOM 1302 CD1 TYR A 88 1.948 -0.154 -12.949 1.00 0.00 C ATOM 1303 CD2 TYR A 88 2.724 -2.356 -12.469 1.00 0.00 C ATOM 1304 CE1 TYR A 88 3.196 0.356 -12.647 1.00 0.00 C ATOM 1305 CE2 TYR A 88 3.974 -1.854 -12.163 1.00 0.00 C ATOM 1306 CZ TYR A 88 4.206 -0.498 -12.254 1.00 0.00 C ATOM 1307 OH TYR A 88 5.450 0.006 -11.952 1.00 0.00 O ATOM 0 H TYR A 88 -2.076 -1.648 -13.740 1.00 0.00 H new ATOM 0 HA TYR A 88 0.168 -0.688 -14.836 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.396 -1.707 -12.464 1.00 0.00 H new ATOM 0 HB3 TYR A 88 0.348 -3.157 -13.108 1.00 0.00 H new ATOM 0 HD1 TYR A 88 1.160 0.518 -13.255 1.00 0.00 H new ATOM 0 HD2 TYR A 88 2.547 -3.419 -12.399 1.00 0.00 H new ATOM 0 HE1 TYR A 88 3.380 1.418 -12.718 1.00 0.00 H new ATOM 0 HE2 TYR A 88 4.766 -2.520 -11.854 1.00 0.00 H new ATOM 0 HH TYR A 88 5.358 0.917 -11.602 1.00 0.00 H new ATOM 1317 N ARG A 89 -0.007 -3.910 -15.581 1.00 0.00 N ATOM 1318 CA ARG A 89 0.482 -4.925 -16.507 1.00 0.00 C ATOM 1319 C ARG A 89 0.237 -4.503 -17.953 1.00 0.00 C ATOM 1320 O ARG A 89 1.086 -4.708 -18.823 1.00 0.00 O ATOM 1321 CB ARG A 89 -0.200 -6.266 -16.234 1.00 0.00 C ATOM 1322 CG ARG A 89 0.351 -6.994 -15.018 1.00 0.00 C ATOM 1323 CD ARG A 89 1.742 -7.547 -15.285 1.00 0.00 C ATOM 1324 NE ARG A 89 2.162 -8.492 -14.253 1.00 0.00 N ATOM 1325 CZ ARG A 89 1.682 -9.727 -14.149 1.00 0.00 C ATOM 1326 NH1 ARG A 89 0.772 -10.163 -15.009 1.00 0.00 N ATOM 1327 NH2 ARG A 89 2.114 -10.528 -13.184 1.00 0.00 N ATOM 0 H ARG A 89 -0.699 -4.248 -14.912 1.00 0.00 H new ATOM 0 HA ARG A 89 1.556 -5.034 -16.354 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.268 -6.099 -16.094 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.090 -6.905 -17.110 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.386 -6.312 -14.169 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.320 -7.809 -14.745 1.00 0.00 H new ATOM 0 HD2 ARG A 89 1.755 -8.041 -16.256 1.00 0.00 H new ATOM 0 HD3 ARG A 89 2.456 -6.725 -15.336 1.00 0.00 H new ATOM 0 HE ARG A 89 2.861 -8.188 -13.576 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.438 -9.550 -15.753 1.00 0.00 H new ATOM 0 HH12 ARG A 89 0.406 -11.111 -14.927 1.00 0.00 H new ATOM 0 HH21 ARG A 89 2.815 -10.196 -12.521 1.00 0.00 H new ATOM 0 HH22 ARG A 89 1.745 -11.476 -13.105 1.00 0.00 H new ATOM 1341 N LEU A 90 -0.927 -3.914 -18.204 1.00 0.00 N ATOM 1342 CA LEU A 90 -1.283 -3.464 -19.545 1.00 0.00 C ATOM 1343 C LEU A 90 -0.413 -2.287 -19.974 1.00 0.00 C ATOM 1344 O LEU A 90 -0.183 -2.073 -21.165 1.00 0.00 O ATOM 1345 CB LEU A 90 -2.760 -3.066 -19.594 1.00 0.00 C ATOM 1346 CG LEU A 90 -3.753 -4.200 -19.849 1.00 0.00 C ATOM 1347 CD1 LEU A 90 -5.164 -3.766 -19.483 1.00 0.00 C ATOM 1348 CD2 LEU A 90 -3.690 -4.648 -21.302 1.00 0.00 C ATOM 0 H LEU A 90 -1.640 -3.737 -17.497 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.111 -4.289 -20.236 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.019 -2.589 -18.648 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.888 -2.316 -20.374 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.480 -5.045 -19.218 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.857 -4.586 -19.671 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.199 -3.496 -18.428 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.448 -2.905 -20.088 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.404 -5.456 -21.465 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.937 -3.809 -21.952 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.684 -5.001 -21.531 1.00 0.00 H new ATOM 1360 N LEU A 91 0.071 -1.529 -18.996 1.00 0.00 N ATOM 1361 CA LEU A 91 0.920 -0.375 -19.272 1.00 0.00 C ATOM 1362 C LEU A 91 2.331 -0.814 -19.647 1.00 0.00 C ATOM 1363 O LEU A 91 2.896 -0.348 -20.638 1.00 0.00 O ATOM 1364 CB LEU A 91 0.967 0.550 -18.055 1.00 0.00 C ATOM 1365 CG LEU A 91 -0.385 0.975 -17.481 1.00 0.00 C ATOM 1366 CD1 LEU A 91 -0.247 1.355 -16.015 1.00 0.00 C ATOM 1367 CD2 LEU A 91 -0.964 2.132 -18.282 1.00 0.00 C ATOM 0 H LEU A 91 -0.110 -1.693 -18.006 1.00 0.00 H new ATOM 0 HA LEU A 91 0.492 0.166 -20.116 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.533 0.052 -17.267 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.522 1.448 -18.328 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.070 0.131 -17.553 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.219 1.655 -15.624 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.123 0.499 -15.451 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.454 2.184 -15.918 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.926 2.421 -17.860 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.280 2.980 -18.242 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.101 1.824 -19.319 1.00 0.00 H new ATOM 1379 N THR A 92 2.897 -1.715 -18.851 1.00 0.00 N ATOM 1380 CA THR A 92 4.242 -2.218 -19.099 1.00 0.00 C ATOM 1381 C THR A 92 4.263 -3.166 -20.293 1.00 0.00 C ATOM 1382 O THR A 92 5.327 -3.530 -20.791 1.00 0.00 O ATOM 1383 CB THR A 92 4.804 -2.952 -17.867 1.00 0.00 C ATOM 1384 OG1 THR A 92 3.938 -4.033 -17.503 1.00 0.00 O ATOM 1385 CG2 THR A 92 4.954 -1.998 -16.691 1.00 0.00 C ATOM 0 H THR A 92 2.444 -2.112 -18.028 1.00 0.00 H new ATOM 0 HA THR A 92 4.868 -1.352 -19.314 1.00 0.00 H new ATOM 0 HB THR A 92 5.788 -3.346 -18.123 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.303 -4.495 -16.720 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.352 -2.539 -15.832 1.00 0.00 H new ATOM 0 HG22 THR A 92 5.636 -1.192 -16.961 1.00 0.00 H new ATOM 0 HG23 THR A 92 3.981 -1.579 -16.436 1.00 0.00 H new ATOM 1393 N GLY A 93 3.078 -3.561 -20.750 1.00 0.00 N ATOM 1394 CA GLY A 93 2.983 -4.462 -21.884 1.00 0.00 C ATOM 1395 C GLY A 93 2.452 -3.777 -23.127 1.00 0.00 C ATOM 1396 O GLY A 93 1.295 -3.967 -23.501 1.00 0.00 O ATOM 0 H GLY A 93 2.183 -3.273 -20.355 1.00 0.00 H new ATOM 0 HA2 GLY A 93 3.967 -4.879 -22.096 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.331 -5.297 -21.627 1.00 0.00 H new ATOM 1400 N GLN A 94 3.298 -2.976 -23.766 1.00 0.00 N ATOM 1401 CA GLN A 94 2.906 -2.258 -24.973 1.00 0.00 C ATOM 1402 C GLN A 94 3.772 -2.671 -26.159 1.00 0.00 C ATOM 1403 O GLN A 94 4.676 -3.496 -26.023 1.00 0.00 O ATOM 1404 CB GLN A 94 3.011 -0.748 -24.751 1.00 0.00 C ATOM 1405 CG GLN A 94 4.402 -0.289 -24.344 1.00 0.00 C ATOM 1406 CD GLN A 94 4.467 1.200 -24.067 1.00 0.00 C ATOM 1407 OE1 GLN A 94 3.556 1.773 -23.469 1.00 0.00 O ATOM 1408 NE2 GLN A 94 5.549 1.836 -24.503 1.00 0.00 N ATOM 0 H GLN A 94 4.259 -2.808 -23.468 1.00 0.00 H new ATOM 0 HA GLN A 94 1.870 -2.514 -25.197 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.721 -0.233 -25.667 1.00 0.00 H new ATOM 0 HB3 GLN A 94 2.300 -0.452 -23.980 1.00 0.00 H new ATOM 0 HG2 GLN A 94 4.714 -0.834 -23.453 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.109 -0.539 -25.135 1.00 0.00 H new ATOM 0 HE21 GLN A 94 6.280 1.321 -24.994 1.00 0.00 H new ATOM 0 HE22 GLN A 94 5.649 2.839 -24.346 1.00 0.00 H new TER 1417 GLN A 94