USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 822 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 THR OG1 : rot -4:sc= 1.22 USER MOD Set 1.2: A 92 MET CE :methyl -173:sc= 0 (180deg=-0.0899) USER MOD Set 2.1: A 64 TYR OH : rot 180:sc= -0.439 USER MOD Set 2.2: A 72 MET CE :methyl -149:sc= -0.733 (180deg=-1.42!) USER MOD Set 3.1: A 56 LYS NZ :NH3+ -135:sc= -0.886 (180deg=-1.51) USER MOD Set 3.2: A 58 SER OG : rot 180:sc= 0.0979 USER MOD Single : A 1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 HIS N :NH3+ 156:sc= 1.23 (180deg=1.08) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -175:sc= -5.14 (180deg=-5.43) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 136:sc= 0.31 (180deg=-0.932) USER MOD Single : A 28 TYR OH : rot 30:sc= -1.94! USER MOD Single : A 31 TYR OH : rot -23:sc= -1.04 USER MOD Single : A 32 SER OG : rot 180:sc= 0.00647 USER MOD Single : A 36 LYS NZ :NH3+ -172:sc= 0.793 (180deg=0.783) USER MOD Single : A 40 THR OG1 : rot 85:sc= 1.26 USER MOD Single : A 41 MET CE :methyl 164:sc= -4.23! (180deg=-4.99!) USER MOD Single : A 43 LYS NZ :NH3+ 158:sc= -0.17 (180deg=-0.755) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot -31:sc= 0.915 USER MOD Single : A 50 SER OG : rot -160:sc= -0.211 USER MOD Single : A 55 TYR OH : rot 14:sc= 0.551 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 139:sc= -5.05! (180deg=-6.6!) USER MOD Single : A 81 MET CE :methyl 173:sc= -1.12 (180deg=-1.35) USER MOD Single : A 84 THR OG1 : rot 14:sc= 0.474 USER MOD Single : A 85 SER OG : rot 79:sc= 0.7 USER MOD Single : A 86 CYS SG : rot -90:sc= -2.46! USER MOD Single : A 87 LYS NZ :NH3+ -106:sc= 1.13 (180deg=0.189) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 137:sc= -0.747 USER MOD Single : A 98 LYS NZ :NH3+ 139:sc= -0.75 (180deg=-2.92!) USER MOD Single : A 102 CYS SG : rot 180:sc= -4.36! USER MOD Single : A 106 SER OG : rot -119:sc= 1.22 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 20.406 -9.796 -2.951 1.00 0.00 N ATOM 2 CA HIS A 1 19.010 -9.381 -2.684 1.00 0.00 C ATOM 3 C HIS A 1 18.650 -9.599 -1.225 1.00 0.00 C ATOM 4 O HIS A 1 18.414 -8.643 -0.493 1.00 0.00 O ATOM 5 CB HIS A 1 18.019 -10.142 -3.574 1.00 0.00 C ATOM 6 CG HIS A 1 18.063 -9.740 -5.017 1.00 0.00 C ATOM 7 ND1 HIS A 1 18.500 -10.578 -6.017 1.00 0.00 N ATOM 8 CD2 HIS A 1 17.706 -8.587 -5.628 1.00 0.00 C ATOM 9 CE1 HIS A 1 18.416 -9.959 -7.176 1.00 0.00 C ATOM 10 NE2 HIS A 1 17.936 -8.747 -6.972 1.00 0.00 N ATOM 0 H1 HIS A 1 20.512 -10.028 -3.959 1.00 0.00 H new ATOM 0 H2 HIS A 1 21.052 -9.019 -2.705 1.00 0.00 H new ATOM 0 H3 HIS A 1 20.635 -10.632 -2.377 1.00 0.00 H new ATOM 0 HA HIS A 1 18.941 -8.318 -2.915 1.00 0.00 H new ATOM 0 HB2 HIS A 1 18.224 -11.210 -3.498 1.00 0.00 H new ATOM 0 HB3 HIS A 1 17.010 -9.984 -3.194 1.00 0.00 H new ATOM 0 HD2 HIS A 1 17.313 -7.704 -5.147 1.00 0.00 H new ATOM 0 HE1 HIS A 1 18.694 -10.374 -8.134 1.00 0.00 H new ATOM 0 HE2 HIS A 1 17.764 -8.046 -7.693 1.00 0.00 H new ATOM 21 N GLU A 2 18.638 -10.853 -0.789 1.00 0.00 N ATOM 22 CA GLU A 2 18.175 -11.193 0.553 1.00 0.00 C ATOM 23 C GLU A 2 19.245 -10.912 1.598 1.00 0.00 C ATOM 24 O GLU A 2 19.672 -11.806 2.335 1.00 0.00 O ATOM 25 CB GLU A 2 17.749 -12.660 0.608 1.00 0.00 C ATOM 26 CG GLU A 2 16.740 -13.043 -0.464 1.00 0.00 C ATOM 27 CD GLU A 2 15.441 -12.276 -0.346 1.00 0.00 C ATOM 28 OE1 GLU A 2 14.591 -12.663 0.480 1.00 0.00 O ATOM 29 OE2 GLU A 2 15.259 -11.289 -1.087 1.00 0.00 O ATOM 0 H GLU A 2 18.943 -11.652 -1.345 1.00 0.00 H new ATOM 0 HA GLU A 2 17.315 -10.564 0.781 1.00 0.00 H new ATOM 0 HB2 GLU A 2 18.632 -13.290 0.505 1.00 0.00 H new ATOM 0 HB3 GLU A 2 17.321 -12.869 1.589 1.00 0.00 H new ATOM 0 HG2 GLU A 2 17.175 -12.863 -1.447 1.00 0.00 H new ATOM 0 HG3 GLU A 2 16.534 -14.111 -0.397 1.00 0.00 H new ATOM 36 N ALA A 3 19.636 -9.650 1.664 1.00 0.00 N ATOM 37 CA ALA A 3 20.661 -9.177 2.589 1.00 0.00 C ATOM 38 C ALA A 3 20.950 -7.708 2.349 1.00 0.00 C ATOM 39 O ALA A 3 20.900 -6.887 3.268 1.00 0.00 O ATOM 40 CB ALA A 3 21.948 -9.980 2.442 1.00 0.00 C ATOM 0 H ALA A 3 19.249 -8.915 1.072 1.00 0.00 H new ATOM 0 HA ALA A 3 20.282 -9.311 3.602 1.00 0.00 H new ATOM 0 HB1 ALA A 3 22.693 -9.605 3.144 1.00 0.00 H new ATOM 0 HB2 ALA A 3 21.748 -11.030 2.653 1.00 0.00 H new ATOM 0 HB3 ALA A 3 22.325 -9.880 1.424 1.00 0.00 H new ATOM 46 N ASP A 4 21.216 -7.387 1.096 1.00 0.00 N ATOM 47 CA ASP A 4 21.657 -6.049 0.705 1.00 0.00 C ATOM 48 C ASP A 4 20.489 -5.151 0.316 1.00 0.00 C ATOM 49 O ASP A 4 20.646 -4.213 -0.466 1.00 0.00 O ATOM 50 CB ASP A 4 22.648 -6.141 -0.458 1.00 0.00 C ATOM 51 CG ASP A 4 22.040 -6.785 -1.687 1.00 0.00 C ATOM 52 OD1 ASP A 4 21.871 -8.022 -1.690 1.00 0.00 O ATOM 53 OD2 ASP A 4 21.733 -6.066 -2.659 1.00 0.00 O ATOM 0 H ASP A 4 21.134 -8.041 0.318 1.00 0.00 H new ATOM 0 HA ASP A 4 22.145 -5.602 1.571 1.00 0.00 H new ATOM 0 HB2 ASP A 4 23.000 -5.141 -0.712 1.00 0.00 H new ATOM 0 HB3 ASP A 4 23.520 -6.715 -0.144 1.00 0.00 H new ATOM 58 N VAL A 5 19.325 -5.429 0.866 1.00 0.00 N ATOM 59 CA VAL A 5 18.158 -4.594 0.627 1.00 0.00 C ATOM 60 C VAL A 5 17.561 -4.140 1.951 1.00 0.00 C ATOM 61 O VAL A 5 17.727 -4.809 2.974 1.00 0.00 O ATOM 62 CB VAL A 5 17.070 -5.319 -0.196 1.00 0.00 C ATOM 63 CG1 VAL A 5 17.603 -5.744 -1.556 1.00 0.00 C ATOM 64 CG2 VAL A 5 16.516 -6.511 0.565 1.00 0.00 C ATOM 0 H VAL A 5 19.158 -6.225 1.482 1.00 0.00 H new ATOM 0 HA VAL A 5 18.498 -3.735 0.048 1.00 0.00 H new ATOM 0 HB VAL A 5 16.254 -4.615 -0.361 1.00 0.00 H new ATOM 0 HG11 VAL A 5 16.816 -6.252 -2.113 1.00 0.00 H new ATOM 0 HG12 VAL A 5 17.930 -4.864 -2.110 1.00 0.00 H new ATOM 0 HG13 VAL A 5 18.446 -6.421 -1.421 1.00 0.00 H new ATOM 0 HG21 VAL A 5 15.752 -7.004 -0.037 1.00 0.00 H new ATOM 0 HG22 VAL A 5 17.321 -7.215 0.776 1.00 0.00 H new ATOM 0 HG23 VAL A 5 16.076 -6.172 1.503 1.00 0.00 H new ATOM 74 N GLY A 6 16.893 -3.000 1.940 1.00 0.00 N ATOM 75 CA GLY A 6 16.240 -2.521 3.138 1.00 0.00 C ATOM 76 C GLY A 6 16.718 -1.146 3.540 1.00 0.00 C ATOM 77 O GLY A 6 17.525 -0.533 2.847 1.00 0.00 O ATOM 0 H GLY A 6 16.791 -2.397 1.124 1.00 0.00 H new ATOM 0 HA2 GLY A 6 15.162 -2.496 2.977 1.00 0.00 H new ATOM 0 HA3 GLY A 6 16.424 -3.220 3.954 1.00 0.00 H new ATOM 81 N GLY A 7 16.201 -0.659 4.653 1.00 0.00 N ATOM 82 CA GLY A 7 16.507 0.671 5.118 1.00 0.00 C ATOM 83 C GLY A 7 15.254 1.285 5.666 1.00 0.00 C ATOM 84 O GLY A 7 15.257 1.952 6.698 1.00 0.00 O ATOM 0 H GLY A 7 15.560 -1.176 5.255 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.279 0.635 5.887 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.899 1.277 4.301 1.00 0.00 H new ATOM 88 N ILE A 8 14.168 1.035 4.950 1.00 0.00 N ATOM 89 CA ILE A 8 12.843 1.357 5.420 1.00 0.00 C ATOM 90 C ILE A 8 11.982 0.105 5.379 1.00 0.00 C ATOM 91 O ILE A 8 11.616 -0.378 4.303 1.00 0.00 O ATOM 92 CB ILE A 8 12.176 2.476 4.598 1.00 0.00 C ATOM 93 CG1 ILE A 8 12.938 3.776 4.796 1.00 0.00 C ATOM 94 CG2 ILE A 8 10.722 2.654 5.004 1.00 0.00 C ATOM 95 CD1 ILE A 8 14.151 3.912 3.914 1.00 0.00 C ATOM 0 H ILE A 8 14.188 0.602 4.026 1.00 0.00 H new ATOM 0 HA ILE A 8 12.936 1.726 6.441 1.00 0.00 H new ATOM 0 HB ILE A 8 12.201 2.198 3.544 1.00 0.00 H new ATOM 0 HG12 ILE A 8 12.266 4.613 4.605 1.00 0.00 H new ATOM 0 HG13 ILE A 8 13.249 3.849 5.838 1.00 0.00 H new ATOM 0 HG21 ILE A 8 10.273 3.450 4.409 1.00 0.00 H new ATOM 0 HG22 ILE A 8 10.180 1.724 4.834 1.00 0.00 H new ATOM 0 HG23 ILE A 8 10.669 2.916 6.061 1.00 0.00 H new ATOM 0 HD11 ILE A 8 14.641 4.865 4.114 1.00 0.00 H new ATOM 0 HD12 ILE A 8 14.845 3.097 4.121 1.00 0.00 H new ATOM 0 HD13 ILE A 8 13.847 3.873 2.868 1.00 0.00 H new ATOM 107 N PHE A 9 11.694 -0.430 6.548 1.00 0.00 N ATOM 108 CA PHE A 9 10.935 -1.664 6.657 1.00 0.00 C ATOM 109 C PHE A 9 9.505 -1.375 7.062 1.00 0.00 C ATOM 110 O PHE A 9 9.248 -0.483 7.873 1.00 0.00 O ATOM 111 CB PHE A 9 11.592 -2.613 7.662 1.00 0.00 C ATOM 112 CG PHE A 9 12.946 -3.091 7.227 1.00 0.00 C ATOM 113 CD1 PHE A 9 13.062 -4.049 6.238 1.00 0.00 C ATOM 114 CD2 PHE A 9 14.100 -2.582 7.801 1.00 0.00 C ATOM 115 CE1 PHE A 9 14.301 -4.496 5.825 1.00 0.00 C ATOM 116 CE2 PHE A 9 15.345 -3.025 7.394 1.00 0.00 C ATOM 117 CZ PHE A 9 15.445 -3.983 6.404 1.00 0.00 C ATOM 0 H PHE A 9 11.975 -0.028 7.442 1.00 0.00 H new ATOM 0 HA PHE A 9 10.927 -2.147 5.680 1.00 0.00 H new ATOM 0 HB2 PHE A 9 11.684 -2.107 8.623 1.00 0.00 H new ATOM 0 HB3 PHE A 9 10.942 -3.474 7.817 1.00 0.00 H new ATOM 0 HD1 PHE A 9 12.171 -4.454 5.782 1.00 0.00 H new ATOM 0 HD2 PHE A 9 14.026 -1.832 8.574 1.00 0.00 H new ATOM 0 HE1 PHE A 9 14.376 -5.245 5.051 1.00 0.00 H new ATOM 0 HE2 PHE A 9 16.238 -2.623 7.849 1.00 0.00 H new ATOM 0 HZ PHE A 9 16.416 -4.330 6.083 1.00 0.00 H new ATOM 127 N VAL A 10 8.575 -2.114 6.483 1.00 0.00 N ATOM 128 CA VAL A 10 7.169 -1.921 6.770 1.00 0.00 C ATOM 129 C VAL A 10 6.515 -3.258 7.079 1.00 0.00 C ATOM 130 O VAL A 10 6.955 -4.308 6.609 1.00 0.00 O ATOM 131 CB VAL A 10 6.414 -1.279 5.590 1.00 0.00 C ATOM 132 CG1 VAL A 10 5.262 -0.422 6.082 1.00 0.00 C ATOM 133 CG2 VAL A 10 7.345 -0.468 4.702 1.00 0.00 C ATOM 0 H VAL A 10 8.771 -2.855 5.810 1.00 0.00 H new ATOM 0 HA VAL A 10 7.112 -1.250 7.627 1.00 0.00 H new ATOM 0 HB VAL A 10 6.005 -2.090 4.987 1.00 0.00 H new ATOM 0 HG11 VAL A 10 4.746 0.019 5.229 1.00 0.00 H new ATOM 0 HG12 VAL A 10 4.565 -1.040 6.648 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.647 0.371 6.723 1.00 0.00 H new ATOM 0 HG21 VAL A 10 6.776 -0.031 3.881 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.806 0.327 5.288 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.122 -1.118 4.299 1.00 0.00 H new ATOM 143 N LYS A 11 5.463 -3.212 7.861 1.00 0.00 N ATOM 144 CA LYS A 11 4.693 -4.397 8.177 1.00 0.00 C ATOM 145 C LYS A 11 3.279 -4.201 7.672 1.00 0.00 C ATOM 146 O LYS A 11 2.744 -3.100 7.761 1.00 0.00 O ATOM 147 CB LYS A 11 4.687 -4.660 9.683 1.00 0.00 C ATOM 148 CG LYS A 11 6.072 -4.850 10.280 1.00 0.00 C ATOM 149 CD LYS A 11 5.997 -5.081 11.779 1.00 0.00 C ATOM 150 CE LYS A 11 7.378 -5.253 12.389 1.00 0.00 C ATOM 151 NZ LYS A 11 7.308 -5.500 13.853 1.00 0.00 N ATOM 0 H LYS A 11 5.116 -2.357 8.296 1.00 0.00 H new ATOM 0 HA LYS A 11 5.146 -5.263 7.693 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.197 -3.826 10.186 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.090 -5.549 9.884 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.563 -5.698 9.803 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.683 -3.971 10.075 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.492 -4.239 12.252 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.396 -5.968 11.981 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.888 -6.085 11.904 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.973 -4.360 12.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.270 -5.612 14.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.843 -4.695 14.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.762 -6.366 14.033 1.00 0.00 H new ATOM 165 N VAL A 12 2.682 -5.257 7.142 1.00 0.00 N ATOM 166 CA VAL A 12 1.362 -5.148 6.525 1.00 0.00 C ATOM 167 C VAL A 12 0.376 -6.151 7.137 1.00 0.00 C ATOM 168 O VAL A 12 0.651 -7.353 7.235 1.00 0.00 O ATOM 169 CB VAL A 12 1.452 -5.308 4.971 1.00 0.00 C ATOM 170 CG1 VAL A 12 2.846 -5.731 4.556 1.00 0.00 C ATOM 171 CG2 VAL A 12 0.426 -6.293 4.423 1.00 0.00 C ATOM 0 H VAL A 12 3.084 -6.194 7.125 1.00 0.00 H new ATOM 0 HA VAL A 12 0.979 -4.149 6.732 1.00 0.00 H new ATOM 0 HB VAL A 12 1.227 -4.331 4.544 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.887 -5.836 3.472 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.565 -4.976 4.874 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.091 -6.685 5.023 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.533 -6.365 3.341 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.588 -7.274 4.870 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.578 -5.945 4.666 1.00 0.00 H new ATOM 181 N SER A 13 -0.758 -5.630 7.582 1.00 0.00 N ATOM 182 CA SER A 13 -1.806 -6.445 8.181 1.00 0.00 C ATOM 183 C SER A 13 -3.080 -6.369 7.346 1.00 0.00 C ATOM 184 O SER A 13 -3.293 -5.402 6.613 1.00 0.00 O ATOM 185 CB SER A 13 -2.085 -5.973 9.610 1.00 0.00 C ATOM 186 OG SER A 13 -0.916 -6.048 10.407 1.00 0.00 O ATOM 0 H SER A 13 -0.978 -4.635 7.539 1.00 0.00 H new ATOM 0 HA SER A 13 -1.469 -7.481 8.209 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.452 -4.947 9.593 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.871 -6.585 10.052 1.00 0.00 H new ATOM 0 HG SER A 13 -1.119 -5.740 11.315 1.00 0.00 H new ATOM 192 N MET A 14 -3.913 -7.393 7.458 1.00 0.00 N ATOM 193 CA MET A 14 -5.151 -7.467 6.697 1.00 0.00 C ATOM 194 C MET A 14 -6.343 -7.041 7.553 1.00 0.00 C ATOM 195 O MET A 14 -6.321 -7.171 8.778 1.00 0.00 O ATOM 196 CB MET A 14 -5.333 -8.891 6.154 1.00 0.00 C ATOM 197 CG MET A 14 -6.678 -9.159 5.490 1.00 0.00 C ATOM 198 SD MET A 14 -7.067 -7.993 4.181 1.00 0.00 S ATOM 199 CE MET A 14 -5.555 -8.075 3.236 1.00 0.00 C ATOM 0 H MET A 14 -3.752 -8.190 8.074 1.00 0.00 H new ATOM 0 HA MET A 14 -5.096 -6.777 5.855 1.00 0.00 H new ATOM 0 HB2 MET A 14 -4.542 -9.092 5.432 1.00 0.00 H new ATOM 0 HB3 MET A 14 -5.203 -9.596 6.975 1.00 0.00 H new ATOM 0 HG2 MET A 14 -6.678 -10.169 5.080 1.00 0.00 H new ATOM 0 HG3 MET A 14 -7.463 -9.122 6.246 1.00 0.00 H new ATOM 0 HE1 MET A 14 -5.590 -7.342 2.430 1.00 0.00 H new ATOM 0 HE2 MET A 14 -4.707 -7.859 3.886 1.00 0.00 H new ATOM 0 HE3 MET A 14 -5.444 -9.074 2.814 1.00 0.00 H new ATOM 209 N ASP A 15 -7.374 -6.517 6.901 1.00 0.00 N ATOM 210 CA ASP A 15 -8.561 -6.041 7.598 1.00 0.00 C ATOM 211 C ASP A 15 -9.787 -6.825 7.140 1.00 0.00 C ATOM 212 O ASP A 15 -10.089 -6.884 5.946 1.00 0.00 O ATOM 213 CB ASP A 15 -8.759 -4.547 7.341 1.00 0.00 C ATOM 214 CG ASP A 15 -9.616 -3.881 8.398 1.00 0.00 C ATOM 215 OD1 ASP A 15 -9.120 -3.683 9.528 1.00 0.00 O ATOM 216 OD2 ASP A 15 -10.781 -3.536 8.105 1.00 0.00 O ATOM 0 H ASP A 15 -7.411 -6.411 5.887 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.427 -6.195 8.669 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.786 -4.056 7.306 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.222 -4.409 6.364 1.00 0.00 H new ATOM 221 N GLY A 16 -10.462 -7.454 8.091 1.00 0.00 N ATOM 222 CA GLY A 16 -11.641 -8.248 7.792 1.00 0.00 C ATOM 223 C GLY A 16 -11.330 -9.730 7.804 1.00 0.00 C ATOM 224 O GLY A 16 -12.174 -10.556 8.152 1.00 0.00 O ATOM 0 H GLY A 16 -10.211 -7.429 9.079 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.421 -8.033 8.523 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.033 -7.965 6.815 1.00 0.00 H new ATOM 228 N ALA A 17 -10.109 -10.059 7.421 1.00 0.00 N ATOM 229 CA ALA A 17 -9.606 -11.421 7.499 1.00 0.00 C ATOM 230 C ALA A 17 -8.203 -11.400 8.090 1.00 0.00 C ATOM 231 O ALA A 17 -7.488 -10.418 7.929 1.00 0.00 O ATOM 232 CB ALA A 17 -9.598 -12.062 6.119 1.00 0.00 C ATOM 0 H ALA A 17 -9.437 -9.389 7.047 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.257 -12.014 8.141 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -9.219 -13.081 6.193 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -10.612 -12.080 5.720 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.957 -11.484 5.453 1.00 0.00 H new ATOM 238 N PRO A 18 -7.791 -12.443 8.813 1.00 0.00 N ATOM 239 CA PRO A 18 -6.438 -12.492 9.360 1.00 0.00 C ATOM 240 C PRO A 18 -5.400 -12.853 8.301 1.00 0.00 C ATOM 241 O PRO A 18 -5.465 -13.924 7.692 1.00 0.00 O ATOM 242 CB PRO A 18 -6.534 -13.597 10.412 1.00 0.00 C ATOM 243 CG PRO A 18 -7.624 -14.495 9.926 1.00 0.00 C ATOM 244 CD PRO A 18 -8.591 -13.625 9.170 1.00 0.00 C ATOM 0 HA PRO A 18 -6.116 -11.529 9.756 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -5.591 -14.135 10.507 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.768 -13.188 11.395 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.223 -15.278 9.283 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.119 -14.990 10.761 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -8.976 -14.130 8.284 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -9.451 -13.356 9.783 1.00 0.00 H new ATOM 252 N TYR A 19 -4.428 -11.968 8.115 1.00 0.00 N ATOM 253 CA TYR A 19 -3.306 -12.204 7.211 1.00 0.00 C ATOM 254 C TYR A 19 -2.104 -11.410 7.677 1.00 0.00 C ATOM 255 O TYR A 19 -2.242 -10.281 8.149 1.00 0.00 O ATOM 256 CB TYR A 19 -3.641 -11.823 5.760 1.00 0.00 C ATOM 257 CG TYR A 19 -4.501 -12.826 5.017 1.00 0.00 C ATOM 258 CD1 TYR A 19 -3.921 -13.875 4.317 1.00 0.00 C ATOM 259 CD2 TYR A 19 -5.886 -12.718 5.005 1.00 0.00 C ATOM 260 CE1 TYR A 19 -4.696 -14.788 3.630 1.00 0.00 C ATOM 261 CE2 TYR A 19 -6.667 -13.628 4.321 1.00 0.00 C ATOM 262 CZ TYR A 19 -6.068 -14.661 3.637 1.00 0.00 C ATOM 263 OH TYR A 19 -6.840 -15.572 2.956 1.00 0.00 O ATOM 0 H TYR A 19 -4.394 -11.064 8.587 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.086 -13.271 7.230 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -4.152 -10.860 5.762 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.709 -11.689 5.211 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.846 -13.979 4.310 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.360 -11.908 5.540 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.229 -15.598 3.090 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -7.743 -13.530 4.323 1.00 0.00 H new ATOM 0 HH TYR A 19 -7.787 -15.342 3.061 1.00 0.00 H new ATOM 273 N LEU A 20 -0.930 -11.993 7.536 1.00 0.00 N ATOM 274 CA LEU A 20 0.287 -11.365 8.011 1.00 0.00 C ATOM 275 C LEU A 20 1.353 -11.345 6.926 1.00 0.00 C ATOM 276 O LEU A 20 1.940 -12.373 6.592 1.00 0.00 O ATOM 277 CB LEU A 20 0.813 -12.097 9.249 1.00 0.00 C ATOM 278 CG LEU A 20 0.173 -11.715 10.594 1.00 0.00 C ATOM 279 CD1 LEU A 20 0.141 -10.203 10.776 1.00 0.00 C ATOM 280 CD2 LEU A 20 -1.223 -12.306 10.728 1.00 0.00 C ATOM 0 H LEU A 20 -0.793 -12.903 7.095 1.00 0.00 H new ATOM 0 HA LEU A 20 0.052 -10.335 8.278 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.675 -13.167 9.097 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.886 -11.921 9.319 1.00 0.00 H new ATOM 0 HG LEU A 20 0.792 -12.137 11.385 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.317 -9.962 11.735 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.158 -9.812 10.751 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.441 -9.752 9.973 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.649 -12.018 11.689 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.856 -11.931 9.924 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.165 -13.393 10.667 1.00 0.00 H new ATOM 292 N ARG A 21 1.588 -10.167 6.373 1.00 0.00 N ATOM 293 CA ARG A 21 2.642 -9.970 5.390 1.00 0.00 C ATOM 294 C ARG A 21 3.562 -8.844 5.839 1.00 0.00 C ATOM 295 O ARG A 21 3.162 -8.000 6.638 1.00 0.00 O ATOM 296 CB ARG A 21 2.043 -9.651 4.017 1.00 0.00 C ATOM 297 CG ARG A 21 1.412 -10.850 3.327 1.00 0.00 C ATOM 298 CD ARG A 21 2.463 -11.885 2.969 1.00 0.00 C ATOM 299 NE ARG A 21 1.899 -13.028 2.260 1.00 0.00 N ATOM 300 CZ ARG A 21 2.621 -14.062 1.835 1.00 0.00 C ATOM 301 NH1 ARG A 21 3.932 -14.092 2.056 1.00 0.00 N ATOM 302 NH2 ARG A 21 2.032 -15.065 1.198 1.00 0.00 N ATOM 0 H ARG A 21 1.057 -9.324 6.591 1.00 0.00 H new ATOM 0 HA ARG A 21 3.221 -10.890 5.306 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.289 -8.872 4.132 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.825 -9.245 3.376 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.663 -11.298 3.980 1.00 0.00 H new ATOM 0 HG3 ARG A 21 0.894 -10.524 2.425 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.231 -11.420 2.351 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.953 -12.231 3.879 1.00 0.00 H new ATOM 0 HE ARG A 21 0.895 -13.035 2.080 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.383 -13.323 2.551 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.486 -14.884 1.731 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.026 -15.044 1.034 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.585 -15.857 0.872 1.00 0.00 H new ATOM 316 N LYS A 22 4.796 -8.845 5.366 1.00 0.00 N ATOM 317 CA LYS A 22 5.736 -7.769 5.670 1.00 0.00 C ATOM 318 C LYS A 22 6.659 -7.555 4.484 1.00 0.00 C ATOM 319 O LYS A 22 7.131 -8.518 3.880 1.00 0.00 O ATOM 320 CB LYS A 22 6.583 -8.047 6.925 1.00 0.00 C ATOM 321 CG LYS A 22 5.807 -8.113 8.233 1.00 0.00 C ATOM 322 CD LYS A 22 5.185 -9.479 8.462 1.00 0.00 C ATOM 323 CE LYS A 22 4.186 -9.435 9.599 1.00 0.00 C ATOM 324 NZ LYS A 22 3.152 -8.384 9.382 1.00 0.00 N ATOM 0 H LYS A 22 5.176 -9.579 4.768 1.00 0.00 H new ATOM 0 HA LYS A 22 5.144 -6.876 5.870 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.109 -8.991 6.786 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.342 -7.269 7.011 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.474 -7.876 9.062 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.024 -7.355 8.227 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.690 -9.815 7.551 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.966 -10.205 8.687 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.702 -10.407 9.697 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.709 -9.244 10.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.214 -8.767 9.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.354 -7.567 9.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.165 -8.084 8.386 1.00 0.00 H new ATOM 338 N ILE A 23 6.907 -6.300 4.151 1.00 0.00 N ATOM 339 CA ILE A 23 7.715 -5.961 2.990 1.00 0.00 C ATOM 340 C ILE A 23 8.623 -4.777 3.260 1.00 0.00 C ATOM 341 O ILE A 23 8.572 -4.153 4.323 1.00 0.00 O ATOM 342 CB ILE A 23 6.853 -5.656 1.751 1.00 0.00 C ATOM 343 CG1 ILE A 23 5.665 -4.781 2.132 1.00 0.00 C ATOM 344 CG2 ILE A 23 6.400 -6.940 1.086 1.00 0.00 C ATOM 345 CD1 ILE A 23 4.622 -4.643 1.042 1.00 0.00 C ATOM 0 H ILE A 23 6.559 -5.494 4.671 1.00 0.00 H new ATOM 0 HA ILE A 23 8.325 -6.842 2.787 1.00 0.00 H new ATOM 0 HB ILE A 23 7.459 -5.105 1.032 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.192 -5.197 3.022 1.00 0.00 H new ATOM 0 HG13 ILE A 23 6.029 -3.789 2.399 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.792 -6.703 0.213 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.272 -7.516 0.776 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.810 -7.526 1.790 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.811 -4.005 1.393 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.077 -4.197 0.157 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.227 -5.627 0.790 1.00 0.00 H new ATOM 357 N ASP A 24 9.469 -4.492 2.293 1.00 0.00 N ATOM 358 CA ASP A 24 10.450 -3.429 2.411 1.00 0.00 C ATOM 359 C ASP A 24 10.104 -2.326 1.424 1.00 0.00 C ATOM 360 O ASP A 24 10.020 -2.560 0.225 1.00 0.00 O ATOM 361 CB ASP A 24 11.843 -3.975 2.097 1.00 0.00 C ATOM 362 CG ASP A 24 12.037 -5.405 2.560 1.00 0.00 C ATOM 363 OD1 ASP A 24 12.372 -5.618 3.737 1.00 0.00 O ATOM 364 OD2 ASP A 24 11.850 -6.331 1.741 1.00 0.00 O ATOM 0 H ASP A 24 9.498 -4.989 1.403 1.00 0.00 H new ATOM 0 HA ASP A 24 10.442 -3.034 3.427 1.00 0.00 H new ATOM 0 HB2 ASP A 24 12.015 -3.921 1.022 1.00 0.00 H new ATOM 0 HB3 ASP A 24 12.591 -3.341 2.572 1.00 0.00 H new ATOM 369 N LEU A 25 9.958 -1.113 1.937 1.00 0.00 N ATOM 370 CA LEU A 25 9.341 -0.026 1.187 1.00 0.00 C ATOM 371 C LEU A 25 10.232 0.486 0.058 1.00 0.00 C ATOM 372 O LEU A 25 9.777 0.688 -1.063 1.00 0.00 O ATOM 373 CB LEU A 25 9.031 1.122 2.148 1.00 0.00 C ATOM 374 CG LEU A 25 7.980 2.122 1.673 1.00 0.00 C ATOM 375 CD1 LEU A 25 6.591 1.515 1.758 1.00 0.00 C ATOM 376 CD2 LEU A 25 8.046 3.375 2.515 1.00 0.00 C ATOM 0 H LEU A 25 10.260 -0.855 2.876 1.00 0.00 H new ATOM 0 HA LEU A 25 8.430 -0.412 0.730 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.699 0.698 3.096 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.956 1.663 2.348 1.00 0.00 H new ATOM 0 HG LEU A 25 8.186 2.376 0.633 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.855 2.242 1.415 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.543 0.626 1.129 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.377 1.240 2.791 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.294 4.085 2.171 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.857 3.123 3.558 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.036 3.823 2.424 1.00 0.00 H new ATOM 388 N ARG A 26 11.503 0.690 0.363 1.00 0.00 N ATOM 389 CA ARG A 26 12.416 1.357 -0.562 1.00 0.00 C ATOM 390 C ARG A 26 12.940 0.433 -1.661 1.00 0.00 C ATOM 391 O ARG A 26 13.446 0.902 -2.681 1.00 0.00 O ATOM 392 CB ARG A 26 13.585 1.959 0.202 1.00 0.00 C ATOM 393 CG ARG A 26 14.525 0.923 0.785 1.00 0.00 C ATOM 394 CD ARG A 26 15.688 1.565 1.521 1.00 0.00 C ATOM 395 NE ARG A 26 16.493 2.414 0.650 1.00 0.00 N ATOM 396 CZ ARG A 26 17.818 2.317 0.519 1.00 0.00 C ATOM 397 NH1 ARG A 26 18.497 1.375 1.166 1.00 0.00 N ATOM 398 NH2 ARG A 26 18.464 3.157 -0.276 1.00 0.00 N ATOM 0 H ARG A 26 11.930 0.404 1.244 1.00 0.00 H new ATOM 0 HA ARG A 26 11.842 2.142 -1.054 1.00 0.00 H new ATOM 0 HB2 ARG A 26 14.147 2.613 -0.465 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.199 2.582 1.009 1.00 0.00 H new ATOM 0 HG2 ARG A 26 13.974 0.277 1.469 1.00 0.00 H new ATOM 0 HG3 ARG A 26 14.907 0.288 -0.015 1.00 0.00 H new ATOM 0 HD2 ARG A 26 15.306 2.159 2.352 1.00 0.00 H new ATOM 0 HD3 ARG A 26 16.319 0.786 1.949 1.00 0.00 H new ATOM 0 HE ARG A 26 16.012 3.129 0.105 1.00 0.00 H new ATOM 0 HH11 ARG A 26 18.006 0.716 1.770 1.00 0.00 H new ATOM 0 HH12 ARG A 26 19.509 1.311 1.058 1.00 0.00 H new ATOM 0 HH21 ARG A 26 17.949 3.875 -0.786 1.00 0.00 H new ATOM 0 HH22 ARG A 26 19.476 3.086 -0.378 1.00 0.00 H new ATOM 412 N VAL A 27 12.801 -0.871 -1.471 1.00 0.00 N ATOM 413 CA VAL A 27 13.468 -1.836 -2.343 1.00 0.00 C ATOM 414 C VAL A 27 12.784 -1.961 -3.698 1.00 0.00 C ATOM 415 O VAL A 27 13.227 -2.724 -4.554 1.00 0.00 O ATOM 416 CB VAL A 27 13.552 -3.230 -1.694 1.00 0.00 C ATOM 417 CG1 VAL A 27 14.245 -3.149 -0.345 1.00 0.00 C ATOM 418 CG2 VAL A 27 12.174 -3.855 -1.556 1.00 0.00 C ATOM 0 H VAL A 27 12.238 -1.286 -0.728 1.00 0.00 H new ATOM 0 HA VAL A 27 14.475 -1.449 -2.495 1.00 0.00 H new ATOM 0 HB VAL A 27 14.144 -3.871 -2.347 1.00 0.00 H new ATOM 0 HG11 VAL A 27 14.295 -4.143 0.099 1.00 0.00 H new ATOM 0 HG12 VAL A 27 15.254 -2.759 -0.477 1.00 0.00 H new ATOM 0 HG13 VAL A 27 13.684 -2.486 0.313 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.265 -4.838 -1.095 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.547 -3.218 -0.932 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.720 -3.957 -2.542 1.00 0.00 H new ATOM 428 N TYR A 28 11.707 -1.218 -3.893 1.00 0.00 N ATOM 429 CA TYR A 28 10.971 -1.281 -5.146 1.00 0.00 C ATOM 430 C TYR A 28 11.399 -0.172 -6.096 1.00 0.00 C ATOM 431 O TYR A 28 11.340 -0.326 -7.315 1.00 0.00 O ATOM 432 CB TYR A 28 9.476 -1.171 -4.877 1.00 0.00 C ATOM 433 CG TYR A 28 8.986 -2.157 -3.852 1.00 0.00 C ATOM 434 CD1 TYR A 28 9.169 -3.519 -4.037 1.00 0.00 C ATOM 435 CD2 TYR A 28 8.340 -1.729 -2.703 1.00 0.00 C ATOM 436 CE1 TYR A 28 8.724 -4.428 -3.105 1.00 0.00 C ATOM 437 CE2 TYR A 28 7.889 -2.634 -1.765 1.00 0.00 C ATOM 438 CZ TYR A 28 8.085 -3.982 -1.972 1.00 0.00 C ATOM 439 OH TYR A 28 7.643 -4.888 -1.043 1.00 0.00 O ATOM 0 H TYR A 28 11.325 -0.569 -3.206 1.00 0.00 H new ATOM 0 HA TYR A 28 11.192 -2.240 -5.616 1.00 0.00 H new ATOM 0 HB2 TYR A 28 9.247 -0.160 -4.538 1.00 0.00 H new ATOM 0 HB3 TYR A 28 8.933 -1.325 -5.809 1.00 0.00 H new ATOM 0 HD1 TYR A 28 9.669 -3.872 -4.927 1.00 0.00 H new ATOM 0 HD2 TYR A 28 8.188 -0.672 -2.540 1.00 0.00 H new ATOM 0 HE1 TYR A 28 8.876 -5.486 -3.262 1.00 0.00 H new ATOM 0 HE2 TYR A 28 7.386 -2.288 -0.874 1.00 0.00 H new ATOM 0 HH TYR A 28 8.224 -5.677 -1.054 1.00 0.00 H new ATOM 449 N GLY A 29 11.838 0.941 -5.511 1.00 0.00 N ATOM 450 CA GLY A 29 12.328 2.075 -6.284 1.00 0.00 C ATOM 451 C GLY A 29 11.312 2.635 -7.265 1.00 0.00 C ATOM 452 O GLY A 29 11.663 3.423 -8.143 1.00 0.00 O ATOM 0 H GLY A 29 11.863 1.079 -4.501 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.631 2.866 -5.598 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.219 1.770 -6.833 1.00 0.00 H new ATOM 456 N GLY A 30 10.055 2.247 -7.107 1.00 0.00 N ATOM 457 CA GLY A 30 9.022 2.679 -8.019 1.00 0.00 C ATOM 458 C GLY A 30 7.699 2.008 -7.730 1.00 0.00 C ATOM 459 O GLY A 30 7.644 1.034 -6.974 1.00 0.00 O ATOM 0 H GLY A 30 9.733 1.636 -6.357 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.904 3.760 -7.948 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.325 2.458 -9.042 1.00 0.00 H new ATOM 463 N TYR A 31 6.635 2.522 -8.333 1.00 0.00 N ATOM 464 CA TYR A 31 5.288 2.019 -8.088 1.00 0.00 C ATOM 465 C TYR A 31 5.090 0.623 -8.659 1.00 0.00 C ATOM 466 O TYR A 31 4.368 -0.181 -8.079 1.00 0.00 O ATOM 467 CB TYR A 31 4.242 2.963 -8.678 1.00 0.00 C ATOM 468 CG TYR A 31 4.315 4.357 -8.112 1.00 0.00 C ATOM 469 CD1 TYR A 31 4.361 4.561 -6.742 1.00 0.00 C ATOM 470 CD2 TYR A 31 4.346 5.464 -8.945 1.00 0.00 C ATOM 471 CE1 TYR A 31 4.439 5.832 -6.215 1.00 0.00 C ATOM 472 CE2 TYR A 31 4.420 6.742 -8.427 1.00 0.00 C ATOM 473 CZ TYR A 31 4.467 6.920 -7.062 1.00 0.00 C ATOM 474 OH TYR A 31 4.545 8.190 -6.542 1.00 0.00 O ATOM 0 H TYR A 31 6.679 3.292 -9.000 1.00 0.00 H new ATOM 0 HA TYR A 31 5.162 1.966 -7.007 1.00 0.00 H new ATOM 0 HB2 TYR A 31 4.372 3.009 -9.759 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.248 2.555 -8.494 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.335 3.711 -6.077 1.00 0.00 H new ATOM 0 HD2 TYR A 31 4.312 5.325 -10.015 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.478 5.975 -5.145 1.00 0.00 H new ATOM 0 HE2 TYR A 31 4.441 7.596 -9.088 1.00 0.00 H new ATOM 0 HH TYR A 31 4.209 8.188 -5.621 1.00 0.00 H new ATOM 484 N SER A 32 5.732 0.334 -9.786 1.00 0.00 N ATOM 485 CA SER A 32 5.548 -0.949 -10.450 1.00 0.00 C ATOM 486 C SER A 32 5.889 -2.102 -9.520 1.00 0.00 C ATOM 487 O SER A 32 5.056 -2.966 -9.266 1.00 0.00 O ATOM 488 CB SER A 32 6.413 -1.024 -11.706 1.00 0.00 C ATOM 489 OG SER A 32 7.721 -0.533 -11.454 1.00 0.00 O ATOM 0 H SER A 32 6.380 0.967 -10.255 1.00 0.00 H new ATOM 0 HA SER A 32 4.498 -1.033 -10.731 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.469 -2.056 -12.052 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.951 -0.444 -12.505 1.00 0.00 H new ATOM 0 HG SER A 32 8.256 -0.593 -12.273 1.00 0.00 H new ATOM 495 N GLU A 33 7.095 -2.083 -8.975 1.00 0.00 N ATOM 496 CA GLU A 33 7.539 -3.136 -8.081 1.00 0.00 C ATOM 497 C GLU A 33 6.803 -3.072 -6.751 1.00 0.00 C ATOM 498 O GLU A 33 6.602 -4.096 -6.101 1.00 0.00 O ATOM 499 CB GLU A 33 9.044 -3.058 -7.868 1.00 0.00 C ATOM 500 CG GLU A 33 9.839 -3.576 -9.051 1.00 0.00 C ATOM 501 CD GLU A 33 11.331 -3.524 -8.821 1.00 0.00 C ATOM 502 OE1 GLU A 33 11.813 -4.146 -7.853 1.00 0.00 O ATOM 503 OE2 GLU A 33 12.037 -2.880 -9.620 1.00 0.00 O ATOM 0 H GLU A 33 7.783 -1.348 -9.138 1.00 0.00 H new ATOM 0 HA GLU A 33 7.306 -4.094 -8.546 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.325 -2.023 -7.674 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.310 -3.632 -6.980 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.544 -4.604 -9.259 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.591 -2.988 -9.935 1.00 0.00 H new ATOM 510 N LEU A 34 6.408 -1.868 -6.354 1.00 0.00 N ATOM 511 CA LEU A 34 5.600 -1.686 -5.154 1.00 0.00 C ATOM 512 C LEU A 34 4.295 -2.462 -5.283 1.00 0.00 C ATOM 513 O LEU A 34 3.978 -3.315 -4.458 1.00 0.00 O ATOM 514 CB LEU A 34 5.282 -0.200 -4.949 1.00 0.00 C ATOM 515 CG LEU A 34 4.343 0.112 -3.781 1.00 0.00 C ATOM 516 CD1 LEU A 34 5.094 0.089 -2.459 1.00 0.00 C ATOM 517 CD2 LEU A 34 3.650 1.450 -3.994 1.00 0.00 C ATOM 0 H LEU A 34 6.634 -1.003 -6.845 1.00 0.00 H new ATOM 0 HA LEU A 34 6.164 -2.057 -4.298 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.218 0.337 -4.795 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.838 0.190 -5.865 1.00 0.00 H new ATOM 0 HG LEU A 34 3.578 -0.663 -3.742 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.405 0.314 -1.645 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.528 -0.899 -2.304 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.888 0.836 -2.479 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.987 1.654 -3.153 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.398 2.240 -4.066 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.068 1.416 -4.915 1.00 0.00 H new ATOM 529 N LEU A 35 3.568 -2.176 -6.353 1.00 0.00 N ATOM 530 CA LEU A 35 2.285 -2.798 -6.617 1.00 0.00 C ATOM 531 C LEU A 35 2.443 -4.285 -6.920 1.00 0.00 C ATOM 532 O LEU A 35 1.642 -5.112 -6.482 1.00 0.00 O ATOM 533 CB LEU A 35 1.612 -2.071 -7.783 1.00 0.00 C ATOM 534 CG LEU A 35 1.298 -0.593 -7.515 1.00 0.00 C ATOM 535 CD1 LEU A 35 0.965 0.137 -8.807 1.00 0.00 C ATOM 536 CD2 LEU A 35 0.149 -0.462 -6.525 1.00 0.00 C ATOM 0 H LEU A 35 3.855 -1.503 -7.064 1.00 0.00 H new ATOM 0 HA LEU A 35 1.659 -2.718 -5.728 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.258 -2.139 -8.659 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.684 -2.587 -8.030 1.00 0.00 H new ATOM 0 HG LEU A 35 2.187 -0.134 -7.083 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.747 1.182 -8.588 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.815 0.078 -9.487 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.095 -0.326 -9.273 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.060 0.593 -6.347 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.740 -0.944 -6.933 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.422 -0.941 -5.585 1.00 0.00 H new ATOM 548 N LYS A 36 3.503 -4.620 -7.640 1.00 0.00 N ATOM 549 CA LYS A 36 3.753 -5.995 -8.051 1.00 0.00 C ATOM 550 C LYS A 36 4.129 -6.876 -6.867 1.00 0.00 C ATOM 551 O LYS A 36 3.827 -8.067 -6.862 1.00 0.00 O ATOM 552 CB LYS A 36 4.824 -6.063 -9.147 1.00 0.00 C ATOM 553 CG LYS A 36 4.304 -5.675 -10.523 1.00 0.00 C ATOM 554 CD LYS A 36 3.163 -6.579 -10.960 1.00 0.00 C ATOM 555 CE LYS A 36 2.550 -6.123 -12.271 1.00 0.00 C ATOM 556 NZ LYS A 36 1.269 -6.824 -12.541 1.00 0.00 N ATOM 0 H LYS A 36 4.209 -3.954 -7.954 1.00 0.00 H new ATOM 0 HA LYS A 36 2.822 -6.381 -8.466 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.650 -5.404 -8.879 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.225 -7.075 -9.190 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.964 -4.640 -10.506 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.115 -5.733 -11.249 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.529 -7.600 -11.066 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.395 -6.595 -10.186 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.379 -5.047 -12.240 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.249 -6.311 -13.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.943 -6.594 -13.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.412 -7.851 -12.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.554 -6.518 -11.851 1.00 0.00 H new ATOM 570 N ALA A 37 4.795 -6.300 -5.874 1.00 0.00 N ATOM 571 CA ALA A 37 5.128 -7.035 -4.657 1.00 0.00 C ATOM 572 C ALA A 37 3.861 -7.513 -3.963 1.00 0.00 C ATOM 573 O ALA A 37 3.784 -8.646 -3.493 1.00 0.00 O ATOM 574 CB ALA A 37 5.942 -6.168 -3.716 1.00 0.00 C ATOM 0 H ALA A 37 5.114 -5.331 -5.885 1.00 0.00 H new ATOM 0 HA ALA A 37 5.726 -7.903 -4.934 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.180 -6.733 -2.815 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.866 -5.864 -4.209 1.00 0.00 H new ATOM 0 HB3 ALA A 37 5.366 -5.283 -3.447 1.00 0.00 H new ATOM 580 N LEU A 38 2.862 -6.644 -3.923 1.00 0.00 N ATOM 581 CA LEU A 38 1.571 -6.977 -3.333 1.00 0.00 C ATOM 582 C LEU A 38 0.935 -8.099 -4.129 1.00 0.00 C ATOM 583 O LEU A 38 0.570 -9.140 -3.584 1.00 0.00 O ATOM 584 CB LEU A 38 0.632 -5.778 -3.366 1.00 0.00 C ATOM 585 CG LEU A 38 1.302 -4.413 -3.457 1.00 0.00 C ATOM 586 CD1 LEU A 38 0.274 -3.367 -3.822 1.00 0.00 C ATOM 587 CD2 LEU A 38 1.989 -4.050 -2.153 1.00 0.00 C ATOM 0 H LEU A 38 2.920 -5.696 -4.295 1.00 0.00 H new ATOM 0 HA LEU A 38 1.735 -7.276 -2.298 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.039 -5.890 -4.217 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.014 -5.799 -2.468 1.00 0.00 H new ATOM 0 HG LEU A 38 2.067 -4.453 -4.233 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.755 -2.391 -3.887 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.172 -3.616 -4.785 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.503 -3.339 -3.058 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.458 -3.071 -2.249 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.253 -4.023 -1.349 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.750 -4.796 -1.923 1.00 0.00 H new ATOM 599 N GLU A 39 0.814 -7.868 -5.434 1.00 0.00 N ATOM 600 CA GLU A 39 0.291 -8.869 -6.358 1.00 0.00 C ATOM 601 C GLU A 39 1.033 -10.194 -6.204 1.00 0.00 C ATOM 602 O GLU A 39 0.467 -11.266 -6.423 1.00 0.00 O ATOM 603 CB GLU A 39 0.417 -8.376 -7.802 1.00 0.00 C ATOM 604 CG GLU A 39 -0.219 -7.018 -8.034 1.00 0.00 C ATOM 605 CD GLU A 39 -0.468 -6.728 -9.500 1.00 0.00 C ATOM 606 OE1 GLU A 39 -1.380 -7.347 -10.083 1.00 0.00 O ATOM 607 OE2 GLU A 39 0.242 -5.885 -10.079 1.00 0.00 O ATOM 0 H GLU A 39 1.074 -6.987 -5.878 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.761 -9.028 -6.121 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.472 -8.325 -8.070 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.046 -9.104 -8.468 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.164 -6.967 -7.493 1.00 0.00 H new ATOM 0 HG3 GLU A 39 0.427 -6.244 -7.620 1.00 0.00 H new ATOM 614 N THR A 40 2.296 -10.104 -5.813 1.00 0.00 N ATOM 615 CA THR A 40 3.120 -11.276 -5.582 1.00 0.00 C ATOM 616 C THR A 40 2.692 -12.011 -4.313 1.00 0.00 C ATOM 617 O THR A 40 2.609 -13.236 -4.294 1.00 0.00 O ATOM 618 CB THR A 40 4.603 -10.875 -5.457 1.00 0.00 C ATOM 619 OG1 THR A 40 5.100 -10.416 -6.721 1.00 0.00 O ATOM 620 CG2 THR A 40 5.443 -12.033 -4.955 1.00 0.00 C ATOM 0 H THR A 40 2.775 -9.219 -5.648 1.00 0.00 H new ATOM 0 HA THR A 40 2.991 -11.941 -6.436 1.00 0.00 H new ATOM 0 HB THR A 40 4.674 -10.065 -4.730 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.886 -9.466 -6.831 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.484 -11.720 -4.877 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.083 -12.345 -3.975 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.366 -12.867 -5.652 1.00 0.00 H new ATOM 628 N MET A 41 2.399 -11.250 -3.268 1.00 0.00 N ATOM 629 CA MET A 41 2.154 -11.821 -1.951 1.00 0.00 C ATOM 630 C MET A 41 0.884 -12.667 -1.911 1.00 0.00 C ATOM 631 O MET A 41 0.916 -13.835 -1.525 1.00 0.00 O ATOM 632 CB MET A 41 2.062 -10.713 -0.894 1.00 0.00 C ATOM 633 CG MET A 41 3.387 -10.026 -0.621 1.00 0.00 C ATOM 634 SD MET A 41 3.405 -9.049 0.897 1.00 0.00 S ATOM 635 CE MET A 41 2.520 -7.590 0.379 1.00 0.00 C ATOM 0 H MET A 41 2.325 -10.233 -3.307 1.00 0.00 H new ATOM 0 HA MET A 41 2.998 -12.474 -1.730 1.00 0.00 H new ATOM 0 HB2 MET A 41 1.336 -9.969 -1.222 1.00 0.00 H new ATOM 0 HB3 MET A 41 1.684 -11.139 0.036 1.00 0.00 H new ATOM 0 HG2 MET A 41 4.172 -10.781 -0.565 1.00 0.00 H new ATOM 0 HG3 MET A 41 3.629 -9.377 -1.462 1.00 0.00 H new ATOM 0 HE1 MET A 41 2.202 -7.027 1.256 1.00 0.00 H new ATOM 0 HE2 MET A 41 3.171 -6.968 -0.235 1.00 0.00 H new ATOM 0 HE3 MET A 41 1.645 -7.882 -0.201 1.00 0.00 H new ATOM 645 N PHE A 42 -0.232 -12.078 -2.307 1.00 0.00 N ATOM 646 CA PHE A 42 -1.530 -12.746 -2.181 1.00 0.00 C ATOM 647 C PHE A 42 -1.989 -13.349 -3.500 1.00 0.00 C ATOM 648 O PHE A 42 -3.133 -13.784 -3.638 1.00 0.00 O ATOM 649 CB PHE A 42 -2.582 -11.769 -1.640 1.00 0.00 C ATOM 650 CG PHE A 42 -1.965 -10.513 -1.109 1.00 0.00 C ATOM 651 CD1 PHE A 42 -1.385 -10.492 0.147 1.00 0.00 C ATOM 652 CD2 PHE A 42 -1.912 -9.371 -1.890 1.00 0.00 C ATOM 653 CE1 PHE A 42 -0.756 -9.360 0.607 1.00 0.00 C ATOM 654 CE2 PHE A 42 -1.297 -8.236 -1.426 1.00 0.00 C ATOM 655 CZ PHE A 42 -0.714 -8.235 -0.183 1.00 0.00 C ATOM 0 H PHE A 42 -0.273 -11.145 -2.717 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.410 -13.566 -1.473 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -3.286 -11.519 -2.434 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.153 -12.254 -0.849 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -1.427 -11.372 0.771 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.359 -9.374 -2.873 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -0.297 -9.354 1.584 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -1.271 -7.346 -2.037 1.00 0.00 H new ATOM 0 HZ PHE A 42 -0.219 -7.345 0.177 1.00 0.00 H new ATOM 665 N LYS A 43 -1.068 -13.366 -4.458 1.00 0.00 N ATOM 666 CA LYS A 43 -1.268 -14.009 -5.760 1.00 0.00 C ATOM 667 C LYS A 43 -2.517 -13.479 -6.464 1.00 0.00 C ATOM 668 O LYS A 43 -3.334 -14.252 -6.964 1.00 0.00 O ATOM 669 CB LYS A 43 -1.380 -15.536 -5.606 1.00 0.00 C ATOM 670 CG LYS A 43 -0.647 -16.117 -4.400 1.00 0.00 C ATOM 671 CD LYS A 43 0.812 -15.703 -4.349 1.00 0.00 C ATOM 672 CE LYS A 43 1.590 -16.533 -3.341 1.00 0.00 C ATOM 673 NZ LYS A 43 1.557 -17.983 -3.672 1.00 0.00 N ATOM 0 H LYS A 43 -0.151 -12.931 -4.355 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.397 -13.770 -6.370 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.434 -15.803 -5.535 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.992 -16.007 -6.509 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.145 -15.793 -3.486 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.711 -17.205 -4.430 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.258 -15.816 -5.337 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.883 -14.648 -4.086 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.625 -16.191 -3.311 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.174 -16.378 -2.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.363 -18.461 -3.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.669 -18.398 -3.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.616 -18.105 -4.703 1.00 0.00 H new ATOM 687 N LEU A 44 -2.661 -12.164 -6.508 1.00 0.00 N ATOM 688 CA LEU A 44 -3.842 -11.552 -7.102 1.00 0.00 C ATOM 689 C LEU A 44 -3.479 -10.275 -7.846 1.00 0.00 C ATOM 690 O LEU A 44 -2.305 -9.924 -7.949 1.00 0.00 O ATOM 691 CB LEU A 44 -4.895 -11.283 -6.026 1.00 0.00 C ATOM 692 CG LEU A 44 -4.392 -10.613 -4.747 1.00 0.00 C ATOM 693 CD1 LEU A 44 -4.215 -9.118 -4.942 1.00 0.00 C ATOM 694 CD2 LEU A 44 -5.349 -10.896 -3.609 1.00 0.00 C ATOM 0 H LEU A 44 -1.978 -11.501 -6.141 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.263 -12.247 -7.829 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.675 -10.656 -6.458 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.361 -12.231 -5.757 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.415 -11.029 -4.501 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.857 -8.670 -4.015 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.490 -8.938 -5.736 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.171 -8.671 -5.215 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.986 -10.416 -2.700 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.335 -10.504 -3.857 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.416 -11.972 -3.449 1.00 0.00 H new ATOM 706 N THR A 45 -4.487 -9.590 -8.366 1.00 0.00 N ATOM 707 CA THR A 45 -4.274 -8.386 -9.150 1.00 0.00 C ATOM 708 C THR A 45 -4.703 -7.130 -8.387 1.00 0.00 C ATOM 709 O THR A 45 -5.891 -6.812 -8.303 1.00 0.00 O ATOM 710 CB THR A 45 -5.040 -8.460 -10.486 1.00 0.00 C ATOM 711 OG1 THR A 45 -4.644 -9.634 -11.209 1.00 0.00 O ATOM 712 CG2 THR A 45 -4.778 -7.229 -11.337 1.00 0.00 C ATOM 0 H THR A 45 -5.467 -9.851 -8.257 1.00 0.00 H new ATOM 0 HA THR A 45 -3.204 -8.321 -9.349 1.00 0.00 H new ATOM 0 HB THR A 45 -6.106 -8.505 -10.263 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.135 -9.677 -12.056 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.331 -7.309 -12.273 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.103 -6.339 -10.799 1.00 0.00 H new ATOM 0 HG23 THR A 45 -3.712 -7.155 -11.551 1.00 0.00 H new ATOM 720 N ILE A 46 -3.730 -6.439 -7.811 1.00 0.00 N ATOM 721 CA ILE A 46 -3.957 -5.140 -7.198 1.00 0.00 C ATOM 722 C ILE A 46 -4.075 -4.081 -8.291 1.00 0.00 C ATOM 723 O ILE A 46 -3.176 -3.936 -9.124 1.00 0.00 O ATOM 724 CB ILE A 46 -2.805 -4.759 -6.236 1.00 0.00 C ATOM 725 CG1 ILE A 46 -2.686 -5.789 -5.099 1.00 0.00 C ATOM 726 CG2 ILE A 46 -3.029 -3.357 -5.676 1.00 0.00 C ATOM 727 CD1 ILE A 46 -3.864 -5.789 -4.155 1.00 0.00 C ATOM 0 H ILE A 46 -2.764 -6.762 -7.756 1.00 0.00 H new ATOM 0 HA ILE A 46 -4.879 -5.192 -6.619 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.869 -4.763 -6.794 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.578 -6.784 -5.531 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.777 -5.588 -4.532 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.213 -3.100 -5.001 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.062 -2.639 -6.495 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.973 -3.329 -5.131 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.709 -6.540 -3.380 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.960 -4.806 -3.694 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.774 -6.021 -4.709 1.00 0.00 H new ATOM 739 N GLY A 47 -5.192 -3.366 -8.302 1.00 0.00 N ATOM 740 CA GLY A 47 -5.427 -2.374 -9.330 1.00 0.00 C ATOM 741 C GLY A 47 -4.511 -1.174 -9.215 1.00 0.00 C ATOM 742 O GLY A 47 -4.026 -0.855 -8.129 1.00 0.00 O ATOM 0 H GLY A 47 -5.941 -3.456 -7.615 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -5.292 -2.834 -10.309 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.463 -2.040 -9.275 1.00 0.00 H new ATOM 746 N GLU A 48 -4.304 -0.500 -10.337 1.00 0.00 N ATOM 747 CA GLU A 48 -3.422 0.660 -10.399 1.00 0.00 C ATOM 748 C GLU A 48 -4.032 1.856 -9.681 1.00 0.00 C ATOM 749 O GLU A 48 -5.200 1.834 -9.274 1.00 0.00 O ATOM 750 CB GLU A 48 -3.132 1.030 -11.855 1.00 0.00 C ATOM 751 CG GLU A 48 -4.379 1.303 -12.679 1.00 0.00 C ATOM 752 CD GLU A 48 -4.066 1.939 -14.017 1.00 0.00 C ATOM 753 OE1 GLU A 48 -3.261 1.367 -14.781 1.00 0.00 O ATOM 754 OE2 GLU A 48 -4.629 3.014 -14.312 1.00 0.00 O ATOM 0 H GLU A 48 -4.740 -0.739 -11.228 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.490 0.395 -9.899 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.494 1.914 -11.875 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.570 0.220 -12.321 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.914 0.367 -12.842 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.045 1.957 -12.117 1.00 0.00 H new ATOM 761 N TYR A 49 -3.231 2.899 -9.528 1.00 0.00 N ATOM 762 CA TYR A 49 -3.672 4.100 -8.848 1.00 0.00 C ATOM 763 C TYR A 49 -4.522 4.957 -9.775 1.00 0.00 C ATOM 764 O TYR A 49 -4.019 5.845 -10.467 1.00 0.00 O ATOM 765 CB TYR A 49 -2.482 4.904 -8.326 1.00 0.00 C ATOM 766 CG TYR A 49 -2.873 5.919 -7.276 1.00 0.00 C ATOM 767 CD1 TYR A 49 -3.168 5.510 -5.987 1.00 0.00 C ATOM 768 CD2 TYR A 49 -2.956 7.272 -7.570 1.00 0.00 C ATOM 769 CE1 TYR A 49 -3.538 6.416 -5.010 1.00 0.00 C ATOM 770 CE2 TYR A 49 -3.322 8.187 -6.604 1.00 0.00 C ATOM 771 CZ TYR A 49 -3.612 7.755 -5.326 1.00 0.00 C ATOM 772 OH TYR A 49 -3.979 8.664 -4.366 1.00 0.00 O ATOM 0 H TYR A 49 -2.270 2.935 -9.868 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.280 3.799 -7.995 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.744 4.220 -7.906 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -2.003 5.417 -9.160 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -3.108 4.461 -5.739 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.731 7.614 -8.569 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -3.766 6.078 -4.010 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.381 9.238 -6.847 1.00 0.00 H new ATOM 0 HH TYR A 49 -4.599 8.241 -3.735 1.00 0.00 H new ATOM 782 N SER A 50 -5.805 4.640 -9.810 1.00 0.00 N ATOM 783 CA SER A 50 -6.792 5.434 -10.520 1.00 0.00 C ATOM 784 C SER A 50 -6.777 6.877 -10.016 1.00 0.00 C ATOM 785 O SER A 50 -6.736 7.117 -8.818 1.00 0.00 O ATOM 786 CB SER A 50 -8.161 4.816 -10.288 1.00 0.00 C ATOM 787 OG SER A 50 -8.190 3.466 -10.711 1.00 0.00 O ATOM 0 H SER A 50 -6.193 3.820 -9.344 1.00 0.00 H new ATOM 0 HA SER A 50 -6.560 5.444 -11.585 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.415 4.874 -9.230 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.917 5.386 -10.829 1.00 0.00 H new ATOM 0 HG SER A 50 -9.119 3.188 -10.853 1.00 0.00 H new ATOM 793 N GLU A 51 -6.821 7.832 -10.930 1.00 0.00 N ATOM 794 CA GLU A 51 -6.754 9.238 -10.563 1.00 0.00 C ATOM 795 C GLU A 51 -8.055 9.677 -9.902 1.00 0.00 C ATOM 796 O GLU A 51 -8.085 10.626 -9.115 1.00 0.00 O ATOM 797 CB GLU A 51 -6.465 10.090 -11.801 1.00 0.00 C ATOM 798 CG GLU A 51 -6.382 11.579 -11.518 1.00 0.00 C ATOM 799 CD GLU A 51 -6.104 12.389 -12.764 1.00 0.00 C ATOM 800 OE1 GLU A 51 -7.024 12.544 -13.596 1.00 0.00 O ATOM 801 OE2 GLU A 51 -4.966 12.877 -12.919 1.00 0.00 O ATOM 0 H GLU A 51 -6.903 7.660 -11.932 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.943 9.377 -9.848 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -5.525 9.762 -12.244 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.245 9.914 -12.541 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.319 11.914 -11.072 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.596 11.763 -10.785 1.00 0.00 H new ATOM 808 N ARG A 52 -9.134 8.981 -10.230 1.00 0.00 N ATOM 809 CA ARG A 52 -10.440 9.317 -9.689 1.00 0.00 C ATOM 810 C ARG A 52 -10.537 9.040 -8.190 1.00 0.00 C ATOM 811 O ARG A 52 -10.894 9.932 -7.424 1.00 0.00 O ATOM 812 CB ARG A 52 -11.556 8.597 -10.459 1.00 0.00 C ATOM 813 CG ARG A 52 -11.268 7.145 -10.798 1.00 0.00 C ATOM 814 CD ARG A 52 -11.794 6.154 -9.765 1.00 0.00 C ATOM 815 NE ARG A 52 -11.468 4.785 -10.184 1.00 0.00 N ATOM 816 CZ ARG A 52 -12.044 3.669 -9.728 1.00 0.00 C ATOM 817 NH1 ARG A 52 -12.952 3.706 -8.766 1.00 0.00 N ATOM 818 NH2 ARG A 52 -11.700 2.500 -10.251 1.00 0.00 N ATOM 0 H ARG A 52 -9.130 8.183 -10.866 1.00 0.00 H new ATOM 0 HA ARG A 52 -10.572 10.391 -9.820 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.471 8.642 -9.869 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -11.747 9.140 -11.385 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -11.710 6.914 -11.767 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.191 7.012 -10.899 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -11.353 6.361 -8.790 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -12.873 6.265 -9.657 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.736 4.676 -10.886 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -13.225 4.599 -8.357 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -13.378 2.841 -8.434 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.002 2.459 -10.994 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -12.133 1.642 -9.911 1.00 0.00 H new ATOM 832 N GLU A 53 -10.207 7.829 -7.757 1.00 0.00 N ATOM 833 CA GLU A 53 -10.273 7.532 -6.334 1.00 0.00 C ATOM 834 C GLU A 53 -8.943 7.052 -5.774 1.00 0.00 C ATOM 835 O GLU A 53 -8.620 7.303 -4.619 1.00 0.00 O ATOM 836 CB GLU A 53 -11.355 6.498 -6.051 1.00 0.00 C ATOM 837 CG GLU A 53 -12.747 7.016 -6.327 1.00 0.00 C ATOM 838 CD GLU A 53 -13.811 5.978 -6.085 1.00 0.00 C ATOM 839 OE1 GLU A 53 -14.103 5.201 -7.013 1.00 0.00 O ATOM 840 OE2 GLU A 53 -14.358 5.933 -4.969 1.00 0.00 O ATOM 0 H GLU A 53 -9.900 7.059 -8.351 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.521 8.467 -5.832 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -11.174 5.613 -6.661 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -11.289 6.185 -5.009 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -12.940 7.883 -5.695 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -12.805 7.356 -7.361 1.00 0.00 H new ATOM 847 N GLY A 54 -8.168 6.413 -6.647 1.00 0.00 N ATOM 848 CA GLY A 54 -6.905 5.760 -6.305 1.00 0.00 C ATOM 849 C GLY A 54 -6.889 4.961 -5.016 1.00 0.00 C ATOM 850 O GLY A 54 -5.830 4.531 -4.595 1.00 0.00 O ATOM 0 H GLY A 54 -8.406 6.332 -7.636 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.631 5.094 -7.124 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.130 6.524 -6.243 1.00 0.00 H new ATOM 854 N TYR A 55 -8.037 4.719 -4.405 1.00 0.00 N ATOM 855 CA TYR A 55 -8.079 3.949 -3.173 1.00 0.00 C ATOM 856 C TYR A 55 -9.049 2.794 -3.309 1.00 0.00 C ATOM 857 O TYR A 55 -9.333 2.094 -2.341 1.00 0.00 O ATOM 858 CB TYR A 55 -8.487 4.821 -1.985 1.00 0.00 C ATOM 859 CG TYR A 55 -7.730 6.125 -1.863 1.00 0.00 C ATOM 860 CD1 TYR A 55 -6.366 6.206 -2.120 1.00 0.00 C ATOM 861 CD2 TYR A 55 -8.388 7.276 -1.470 1.00 0.00 C ATOM 862 CE1 TYR A 55 -5.684 7.396 -1.987 1.00 0.00 C ATOM 863 CE2 TYR A 55 -7.715 8.474 -1.338 1.00 0.00 C ATOM 864 CZ TYR A 55 -6.361 8.529 -1.595 1.00 0.00 C ATOM 865 OH TYR A 55 -5.683 9.717 -1.457 1.00 0.00 O ATOM 0 H TYR A 55 -8.945 5.042 -4.738 1.00 0.00 H new ATOM 0 HA TYR A 55 -7.076 3.564 -2.990 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -9.552 5.042 -2.063 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -8.347 4.249 -1.068 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -5.831 5.320 -2.429 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -9.447 7.237 -1.263 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -4.624 7.440 -2.189 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -8.246 9.364 -1.035 1.00 0.00 H new ATOM 0 HH TYR A 55 -4.803 9.643 -1.882 1.00 0.00 H new ATOM 875 N LYS A 56 -9.565 2.605 -4.516 1.00 0.00 N ATOM 876 CA LYS A 56 -10.584 1.593 -4.749 1.00 0.00 C ATOM 877 C LYS A 56 -10.001 0.193 -4.560 1.00 0.00 C ATOM 878 O LYS A 56 -10.701 -0.731 -4.152 1.00 0.00 O ATOM 879 CB LYS A 56 -11.211 1.751 -6.147 1.00 0.00 C ATOM 880 CG LYS A 56 -10.402 1.165 -7.303 1.00 0.00 C ATOM 881 CD LYS A 56 -9.098 1.906 -7.563 1.00 0.00 C ATOM 882 CE LYS A 56 -8.307 1.250 -8.690 1.00 0.00 C ATOM 883 NZ LYS A 56 -8.044 -0.196 -8.446 1.00 0.00 N ATOM 0 H LYS A 56 -9.296 3.136 -5.344 1.00 0.00 H new ATOM 0 HA LYS A 56 -11.378 1.732 -4.015 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.194 1.281 -6.140 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.367 2.813 -6.338 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -10.181 0.119 -7.089 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -11.009 1.184 -8.208 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.311 2.943 -7.821 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.497 1.920 -6.654 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -8.855 1.362 -9.625 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -7.358 1.771 -8.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -7.052 -0.411 -8.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.229 -0.419 -7.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -8.668 -0.769 -9.049 1.00 0.00 H new ATOM 897 N GLY A 57 -8.707 0.061 -4.870 1.00 0.00 N ATOM 898 CA GLY A 57 -7.985 -1.189 -4.672 1.00 0.00 C ATOM 899 C GLY A 57 -8.461 -2.344 -5.542 1.00 0.00 C ATOM 900 O GLY A 57 -7.775 -3.358 -5.643 1.00 0.00 O ATOM 0 H GLY A 57 -8.140 0.813 -5.261 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.927 -1.016 -4.868 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.072 -1.481 -3.625 1.00 0.00 H new ATOM 904 N SER A 58 -9.618 -2.177 -6.176 1.00 0.00 N ATOM 905 CA SER A 58 -10.279 -3.251 -6.914 1.00 0.00 C ATOM 906 C SER A 58 -10.849 -4.272 -5.927 1.00 0.00 C ATOM 907 O SER A 58 -12.041 -4.236 -5.618 1.00 0.00 O ATOM 908 CB SER A 58 -9.330 -3.907 -7.925 1.00 0.00 C ATOM 909 OG SER A 58 -8.809 -2.944 -8.828 1.00 0.00 O ATOM 0 H SER A 58 -10.125 -1.292 -6.193 1.00 0.00 H new ATOM 0 HA SER A 58 -11.101 -2.828 -7.492 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.512 -4.397 -7.397 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.861 -4.681 -8.479 1.00 0.00 H new ATOM 0 HG SER A 58 -8.205 -3.384 -9.463 1.00 0.00 H new ATOM 915 N GLU A 59 -10.012 -5.171 -5.423 1.00 0.00 N ATOM 916 CA GLU A 59 -10.425 -6.044 -4.336 1.00 0.00 C ATOM 917 C GLU A 59 -9.552 -5.822 -3.107 1.00 0.00 C ATOM 918 O GLU A 59 -9.963 -6.112 -1.985 1.00 0.00 O ATOM 919 CB GLU A 59 -10.401 -7.510 -4.742 1.00 0.00 C ATOM 920 CG GLU A 59 -11.028 -8.403 -3.688 1.00 0.00 C ATOM 921 CD GLU A 59 -11.204 -9.831 -4.154 1.00 0.00 C ATOM 922 OE1 GLU A 59 -12.155 -10.091 -4.918 1.00 0.00 O ATOM 923 OE2 GLU A 59 -10.397 -10.702 -3.763 1.00 0.00 O ATOM 0 H GLU A 59 -9.055 -5.312 -5.746 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.455 -5.787 -4.091 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.934 -7.634 -5.685 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -9.371 -7.821 -4.915 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.405 -8.392 -2.793 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.999 -7.996 -3.406 1.00 0.00 H new ATOM 930 N TYR A 60 -8.347 -5.316 -3.317 1.00 0.00 N ATOM 931 CA TYR A 60 -7.470 -4.982 -2.207 1.00 0.00 C ATOM 932 C TYR A 60 -6.829 -3.627 -2.405 1.00 0.00 C ATOM 933 O TYR A 60 -6.168 -3.380 -3.412 1.00 0.00 O ATOM 934 CB TYR A 60 -6.382 -6.040 -2.024 1.00 0.00 C ATOM 935 CG TYR A 60 -6.865 -7.258 -1.278 1.00 0.00 C ATOM 936 CD1 TYR A 60 -7.010 -7.210 0.091 1.00 0.00 C ATOM 937 CD2 TYR A 60 -7.194 -8.436 -1.933 1.00 0.00 C ATOM 938 CE1 TYR A 60 -7.466 -8.291 0.802 1.00 0.00 C ATOM 939 CE2 TYR A 60 -7.651 -9.536 -1.227 1.00 0.00 C ATOM 940 CZ TYR A 60 -7.786 -9.456 0.145 1.00 0.00 C ATOM 941 OH TYR A 60 -8.243 -10.541 0.858 1.00 0.00 O ATOM 0 H TYR A 60 -7.956 -5.129 -4.240 1.00 0.00 H new ATOM 0 HA TYR A 60 -8.087 -4.952 -1.309 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -6.010 -6.344 -3.002 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.542 -5.600 -1.486 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.759 -6.301 0.617 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.092 -8.496 -3.007 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -7.573 -8.227 1.875 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -7.900 -10.450 -1.746 1.00 0.00 H new ATOM 0 HH TYR A 60 -8.425 -11.283 0.244 1.00 0.00 H new ATOM 951 N ALA A 61 -7.011 -2.759 -1.430 1.00 0.00 N ATOM 952 CA ALA A 61 -6.397 -1.449 -1.467 1.00 0.00 C ATOM 953 C ALA A 61 -5.235 -1.402 -0.494 1.00 0.00 C ATOM 954 O ALA A 61 -5.438 -1.375 0.722 1.00 0.00 O ATOM 955 CB ALA A 61 -7.417 -0.366 -1.138 1.00 0.00 C ATOM 0 H ALA A 61 -7.580 -2.938 -0.602 1.00 0.00 H new ATOM 0 HA ALA A 61 -6.024 -1.263 -2.474 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.934 0.611 -1.171 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.227 -0.396 -1.867 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -7.820 -0.537 -0.140 1.00 0.00 H new ATOM 961 N PRO A 62 -3.998 -1.440 -1.004 1.00 0.00 N ATOM 962 CA PRO A 62 -2.822 -1.275 -0.161 1.00 0.00 C ATOM 963 C PRO A 62 -2.730 0.144 0.373 1.00 0.00 C ATOM 964 O PRO A 62 -2.619 1.099 -0.389 1.00 0.00 O ATOM 965 CB PRO A 62 -1.659 -1.570 -1.114 1.00 0.00 C ATOM 966 CG PRO A 62 -2.204 -1.278 -2.470 1.00 0.00 C ATOM 967 CD PRO A 62 -3.648 -1.674 -2.416 1.00 0.00 C ATOM 0 HA PRO A 62 -2.834 -1.923 0.715 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -0.795 -0.945 -0.891 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -1.332 -2.607 -1.032 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -2.096 -0.222 -2.717 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -1.671 -1.841 -3.236 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -4.258 -1.072 -3.089 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -3.793 -2.716 -2.701 1.00 0.00 H new ATOM 975 N THR A 63 -2.743 0.274 1.682 1.00 0.00 N ATOM 976 CA THR A 63 -2.706 1.574 2.311 1.00 0.00 C ATOM 977 C THR A 63 -1.546 1.649 3.282 1.00 0.00 C ATOM 978 O THR A 63 -0.923 0.633 3.597 1.00 0.00 O ATOM 979 CB THR A 63 -4.032 1.905 3.040 1.00 0.00 C ATOM 980 OG1 THR A 63 -4.296 0.949 4.074 1.00 0.00 O ATOM 981 CG2 THR A 63 -5.197 1.922 2.061 1.00 0.00 C ATOM 0 H THR A 63 -2.779 -0.510 2.333 1.00 0.00 H new ATOM 0 HA THR A 63 -2.571 2.315 1.523 1.00 0.00 H new ATOM 0 HB THR A 63 -3.925 2.894 3.486 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.610 0.249 4.055 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.118 2.157 2.595 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.019 2.678 1.296 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.290 0.944 1.589 1.00 0.00 H new ATOM 989 N TYR A 64 -1.255 2.843 3.745 1.00 0.00 N ATOM 990 CA TYR A 64 -0.125 3.060 4.620 1.00 0.00 C ATOM 991 C TYR A 64 -0.472 4.120 5.649 1.00 0.00 C ATOM 992 O TYR A 64 -1.461 4.840 5.498 1.00 0.00 O ATOM 993 CB TYR A 64 1.088 3.509 3.809 1.00 0.00 C ATOM 994 CG TYR A 64 1.034 4.965 3.426 1.00 0.00 C ATOM 995 CD1 TYR A 64 0.043 5.447 2.589 1.00 0.00 C ATOM 996 CD2 TYR A 64 1.966 5.857 3.922 1.00 0.00 C ATOM 997 CE1 TYR A 64 -0.015 6.778 2.253 1.00 0.00 C ATOM 998 CE2 TYR A 64 1.922 7.192 3.595 1.00 0.00 C ATOM 999 CZ TYR A 64 0.933 7.651 2.759 1.00 0.00 C ATOM 1000 OH TYR A 64 0.891 8.982 2.429 1.00 0.00 O ATOM 0 H TYR A 64 -1.789 3.685 3.528 1.00 0.00 H new ATOM 0 HA TYR A 64 0.114 2.126 5.128 1.00 0.00 H new ATOM 0 HB2 TYR A 64 1.993 3.325 4.387 1.00 0.00 H new ATOM 0 HB3 TYR A 64 1.158 2.904 2.905 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -0.696 4.766 2.194 1.00 0.00 H new ATOM 0 HD2 TYR A 64 2.744 5.498 4.579 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -0.794 7.141 1.599 1.00 0.00 H new ATOM 0 HE2 TYR A 64 2.659 7.874 3.992 1.00 0.00 H new ATOM 0 HH TYR A 64 1.629 9.452 2.871 1.00 0.00 H new ATOM 1010 N GLU A 65 0.338 4.207 6.684 1.00 0.00 N ATOM 1011 CA GLU A 65 0.122 5.180 7.736 1.00 0.00 C ATOM 1012 C GLU A 65 1.171 6.283 7.663 1.00 0.00 C ATOM 1013 O GLU A 65 2.375 6.013 7.731 1.00 0.00 O ATOM 1014 CB GLU A 65 0.171 4.500 9.101 1.00 0.00 C ATOM 1015 CG GLU A 65 -0.148 5.435 10.250 1.00 0.00 C ATOM 1016 CD GLU A 65 -0.007 4.764 11.594 1.00 0.00 C ATOM 1017 OE1 GLU A 65 1.122 4.382 11.951 1.00 0.00 O ATOM 1018 OE2 GLU A 65 -1.022 4.628 12.307 1.00 0.00 O ATOM 0 H GLU A 65 1.156 3.613 6.820 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.863 5.626 7.599 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.535 3.670 9.111 1.00 0.00 H new ATOM 0 HB3 GLU A 65 1.164 4.076 9.252 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.515 6.299 10.207 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.166 5.809 10.139 1.00 0.00 H new ATOM 1025 N ASP A 66 0.707 7.515 7.503 1.00 0.00 N ATOM 1026 CA ASP A 66 1.590 8.677 7.469 1.00 0.00 C ATOM 1027 C ASP A 66 1.892 9.137 8.906 1.00 0.00 C ATOM 1028 O ASP A 66 1.544 8.437 9.856 1.00 0.00 O ATOM 1029 CB ASP A 66 0.937 9.799 6.647 1.00 0.00 C ATOM 1030 CG ASP A 66 1.910 10.902 6.285 1.00 0.00 C ATOM 1031 OD1 ASP A 66 2.671 10.739 5.314 1.00 0.00 O ATOM 1032 OD2 ASP A 66 1.943 11.923 7.000 1.00 0.00 O ATOM 0 H ASP A 66 -0.282 7.738 7.394 1.00 0.00 H new ATOM 0 HA ASP A 66 2.533 8.413 6.991 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.517 9.377 5.734 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.108 10.223 7.213 1.00 0.00 H new ATOM 1037 N LYS A 67 2.506 10.315 9.076 1.00 0.00 N ATOM 1038 CA LYS A 67 2.968 10.760 10.398 1.00 0.00 C ATOM 1039 C LYS A 67 1.788 10.908 11.330 1.00 0.00 C ATOM 1040 O LYS A 67 1.780 10.398 12.450 1.00 0.00 O ATOM 1041 CB LYS A 67 3.678 12.121 10.340 1.00 0.00 C ATOM 1042 CG LYS A 67 4.597 12.304 9.157 1.00 0.00 C ATOM 1043 CD LYS A 67 5.651 11.218 9.077 1.00 0.00 C ATOM 1044 CE LYS A 67 6.127 11.075 7.653 1.00 0.00 C ATOM 1045 NZ LYS A 67 4.988 10.763 6.752 1.00 0.00 N ATOM 0 H LYS A 67 2.694 10.974 8.320 1.00 0.00 H new ATOM 0 HA LYS A 67 3.670 10.005 10.753 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.924 12.908 10.322 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.255 12.253 11.255 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.009 12.305 8.239 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.084 13.277 9.225 1.00 0.00 H new ATOM 0 HD2 LYS A 67 6.490 11.464 9.728 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.240 10.272 9.430 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.611 11.997 7.331 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.875 10.284 7.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 5.087 11.302 5.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 4.983 9.745 6.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 4.095 11.023 7.218 1.00 0.00 H new ATOM 1059 N ASP A 68 0.781 11.602 10.830 1.00 0.00 N ATOM 1060 CA ASP A 68 -0.398 11.928 11.624 1.00 0.00 C ATOM 1061 C ASP A 68 -1.400 10.775 11.602 1.00 0.00 C ATOM 1062 O ASP A 68 -2.560 10.921 11.991 1.00 0.00 O ATOM 1063 CB ASP A 68 -1.036 13.222 11.110 1.00 0.00 C ATOM 1064 CG ASP A 68 -2.089 13.769 12.052 1.00 0.00 C ATOM 1065 OD1 ASP A 68 -1.759 14.039 13.227 1.00 0.00 O ATOM 1066 OD2 ASP A 68 -3.250 13.937 11.626 1.00 0.00 O ATOM 0 H ASP A 68 0.753 11.954 9.873 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.093 12.082 12.659 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.259 13.973 10.965 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.487 13.038 10.135 1.00 0.00 H new ATOM 1071 N GLY A 69 -0.937 9.619 11.145 1.00 0.00 N ATOM 1072 CA GLY A 69 -1.762 8.431 11.157 1.00 0.00 C ATOM 1073 C GLY A 69 -2.763 8.397 10.024 1.00 0.00 C ATOM 1074 O GLY A 69 -3.756 7.672 10.092 1.00 0.00 O ATOM 0 H GLY A 69 -0.000 9.485 10.765 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.123 7.550 11.096 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.294 8.374 12.107 1.00 0.00 H new ATOM 1078 N ASP A 70 -2.509 9.182 8.990 1.00 0.00 N ATOM 1079 CA ASP A 70 -3.395 9.235 7.834 1.00 0.00 C ATOM 1080 C ASP A 70 -3.210 7.997 6.972 1.00 0.00 C ATOM 1081 O ASP A 70 -2.082 7.630 6.640 1.00 0.00 O ATOM 1082 CB ASP A 70 -3.122 10.491 7.002 1.00 0.00 C ATOM 1083 CG ASP A 70 -3.318 11.768 7.794 1.00 0.00 C ATOM 1084 OD1 ASP A 70 -4.480 12.190 7.977 1.00 0.00 O ATOM 1085 OD2 ASP A 70 -2.308 12.355 8.236 1.00 0.00 O ATOM 0 H ASP A 70 -1.695 9.793 8.926 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.423 9.270 8.194 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -2.101 10.456 6.623 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -3.784 10.500 6.136 1.00 0.00 H new ATOM 1090 N TRP A 71 -4.314 7.348 6.628 1.00 0.00 N ATOM 1091 CA TRP A 71 -4.269 6.153 5.798 1.00 0.00 C ATOM 1092 C TRP A 71 -4.755 6.458 4.391 1.00 0.00 C ATOM 1093 O TRP A 71 -5.884 6.908 4.190 1.00 0.00 O ATOM 1094 CB TRP A 71 -5.125 5.030 6.397 1.00 0.00 C ATOM 1095 CG TRP A 71 -4.615 4.489 7.699 1.00 0.00 C ATOM 1096 CD1 TRP A 71 -4.918 4.942 8.949 1.00 0.00 C ATOM 1097 CD2 TRP A 71 -3.727 3.380 7.878 1.00 0.00 C ATOM 1098 NE1 TRP A 71 -4.265 4.188 9.894 1.00 0.00 N ATOM 1099 CE2 TRP A 71 -3.527 3.224 9.262 1.00 0.00 C ATOM 1100 CE3 TRP A 71 -3.080 2.505 7.002 1.00 0.00 C ATOM 1101 CZ2 TRP A 71 -2.707 2.228 9.788 1.00 0.00 C ATOM 1102 CZ3 TRP A 71 -2.265 1.521 7.525 1.00 0.00 C ATOM 1103 CH2 TRP A 71 -2.085 1.389 8.906 1.00 0.00 C ATOM 0 H TRP A 71 -5.252 7.630 6.911 1.00 0.00 H new ATOM 0 HA TRP A 71 -3.231 5.822 5.758 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -6.139 5.402 6.544 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -5.186 4.214 5.677 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -5.575 5.772 9.165 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -4.321 4.325 10.903 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -3.215 2.597 5.934 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -2.568 2.123 10.854 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -1.758 0.841 6.856 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -1.441 0.608 9.283 1.00 0.00 H new ATOM 1114 N MET A 72 -3.886 6.223 3.427 1.00 0.00 N ATOM 1115 CA MET A 72 -4.223 6.347 2.018 1.00 0.00 C ATOM 1116 C MET A 72 -3.595 5.185 1.277 1.00 0.00 C ATOM 1117 O MET A 72 -2.786 4.461 1.854 1.00 0.00 O ATOM 1118 CB MET A 72 -3.696 7.661 1.445 1.00 0.00 C ATOM 1119 CG MET A 72 -4.255 8.901 2.117 1.00 0.00 C ATOM 1120 SD MET A 72 -3.472 10.412 1.531 1.00 0.00 S ATOM 1121 CE MET A 72 -1.752 10.053 1.885 1.00 0.00 C ATOM 0 H MET A 72 -2.921 5.939 3.598 1.00 0.00 H new ATOM 0 HA MET A 72 -5.307 6.338 1.904 1.00 0.00 H new ATOM 0 HB2 MET A 72 -2.610 7.673 1.532 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.931 7.701 0.381 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.328 8.957 1.935 1.00 0.00 H new ATOM 0 HG3 MET A 72 -4.119 8.819 3.195 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.226 10.980 2.113 1.00 0.00 H new ATOM 0 HE2 MET A 72 -1.689 9.380 2.740 1.00 0.00 H new ATOM 0 HE3 MET A 72 -1.293 9.580 1.017 1.00 0.00 H new ATOM 1131 N LEU A 73 -3.945 5.005 0.017 1.00 0.00 N ATOM 1132 CA LEU A 73 -3.387 3.933 -0.768 1.00 0.00 C ATOM 1133 C LEU A 73 -1.997 4.343 -1.232 1.00 0.00 C ATOM 1134 O LEU A 73 -1.756 5.511 -1.550 1.00 0.00 O ATOM 1135 CB LEU A 73 -4.323 3.634 -1.940 1.00 0.00 C ATOM 1136 CG LEU A 73 -3.989 2.411 -2.785 1.00 0.00 C ATOM 1137 CD1 LEU A 73 -5.233 1.865 -3.467 1.00 0.00 C ATOM 1138 CD2 LEU A 73 -2.976 2.819 -3.814 1.00 0.00 C ATOM 0 H LEU A 73 -4.615 5.592 -0.481 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.291 3.020 -0.180 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.332 3.511 -1.547 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.339 4.506 -2.594 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.590 1.623 -2.146 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.967 0.992 -4.064 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.966 1.579 -2.712 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.659 2.631 -4.114 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.720 1.959 -4.433 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.392 3.607 -4.442 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.079 3.188 -3.316 1.00 0.00 H new ATOM 1150 N VAL A 74 -1.081 3.390 -1.238 1.00 0.00 N ATOM 1151 CA VAL A 74 0.312 3.677 -1.537 1.00 0.00 C ATOM 1152 C VAL A 74 0.512 4.117 -2.980 1.00 0.00 C ATOM 1153 O VAL A 74 0.054 3.472 -3.920 1.00 0.00 O ATOM 1154 CB VAL A 74 1.225 2.483 -1.208 1.00 0.00 C ATOM 1155 CG1 VAL A 74 1.295 2.300 0.296 1.00 0.00 C ATOM 1156 CG2 VAL A 74 0.737 1.208 -1.884 1.00 0.00 C ATOM 0 H VAL A 74 -1.277 2.409 -1.039 1.00 0.00 H new ATOM 0 HA VAL A 74 0.596 4.510 -0.894 1.00 0.00 H new ATOM 0 HB VAL A 74 2.223 2.692 -1.592 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.942 1.454 0.530 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.699 3.203 0.754 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.295 2.111 0.686 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.404 0.384 -1.631 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.271 0.977 -1.541 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.729 1.349 -2.965 1.00 0.00 H new ATOM 1166 N GLY A 75 1.216 5.224 -3.137 1.00 0.00 N ATOM 1167 CA GLY A 75 1.396 5.810 -4.443 1.00 0.00 C ATOM 1168 C GLY A 75 0.673 7.132 -4.570 1.00 0.00 C ATOM 1169 O GLY A 75 0.640 7.724 -5.652 1.00 0.00 O ATOM 0 H GLY A 75 1.669 5.730 -2.376 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.459 5.958 -4.632 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.030 5.121 -5.204 1.00 0.00 H new ATOM 1173 N ASP A 76 0.079 7.591 -3.467 1.00 0.00 N ATOM 1174 CA ASP A 76 -0.601 8.889 -3.449 1.00 0.00 C ATOM 1175 C ASP A 76 0.371 10.017 -3.787 1.00 0.00 C ATOM 1176 O ASP A 76 0.174 10.745 -4.765 1.00 0.00 O ATOM 1177 CB ASP A 76 -1.251 9.157 -2.087 1.00 0.00 C ATOM 1178 CG ASP A 76 -1.915 10.526 -2.022 1.00 0.00 C ATOM 1179 OD1 ASP A 76 -1.229 11.508 -1.675 1.00 0.00 O ATOM 1180 OD2 ASP A 76 -3.125 10.628 -2.314 1.00 0.00 O ATOM 0 H ASP A 76 0.054 7.088 -2.580 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.384 8.857 -4.207 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -1.994 8.386 -1.883 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.494 9.085 -1.306 1.00 0.00 H new ATOM 1185 N VAL A 77 1.420 10.157 -2.985 1.00 0.00 N ATOM 1186 CA VAL A 77 2.441 11.168 -3.232 1.00 0.00 C ATOM 1187 C VAL A 77 3.641 10.540 -3.936 1.00 0.00 C ATOM 1188 O VAL A 77 3.847 9.329 -3.844 1.00 0.00 O ATOM 1189 CB VAL A 77 2.905 11.867 -1.929 1.00 0.00 C ATOM 1190 CG1 VAL A 77 1.743 12.573 -1.253 1.00 0.00 C ATOM 1191 CG2 VAL A 77 3.559 10.886 -0.969 1.00 0.00 C ATOM 0 H VAL A 77 1.586 9.583 -2.158 1.00 0.00 H new ATOM 0 HA VAL A 77 1.993 11.929 -3.871 1.00 0.00 H new ATOM 0 HB VAL A 77 3.652 12.610 -2.207 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.092 13.057 -0.341 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.332 13.324 -1.927 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.970 11.846 -1.005 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.871 11.413 -0.067 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.846 10.105 -0.705 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.430 10.436 -1.446 1.00 0.00 H new ATOM 1201 N PRO A 78 4.430 11.355 -4.667 1.00 0.00 N ATOM 1202 CA PRO A 78 5.601 10.881 -5.414 1.00 0.00 C ATOM 1203 C PRO A 78 6.561 10.065 -4.559 1.00 0.00 C ATOM 1204 O PRO A 78 6.865 10.417 -3.415 1.00 0.00 O ATOM 1205 CB PRO A 78 6.280 12.169 -5.872 1.00 0.00 C ATOM 1206 CG PRO A 78 5.188 13.172 -5.928 1.00 0.00 C ATOM 1207 CD PRO A 78 4.232 12.806 -4.829 1.00 0.00 C ATOM 0 HA PRO A 78 5.308 10.216 -6.226 1.00 0.00 H new ATOM 0 HB2 PRO A 78 7.062 12.473 -5.176 1.00 0.00 H new ATOM 0 HB3 PRO A 78 6.752 12.043 -6.846 1.00 0.00 H new ATOM 0 HG2 PRO A 78 5.577 14.180 -5.787 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.692 13.155 -6.898 1.00 0.00 H new ATOM 0 HD2 PRO A 78 4.453 13.346 -3.909 1.00 0.00 H new ATOM 0 HD3 PRO A 78 3.202 13.043 -5.098 1.00 0.00 H new ATOM 1215 N TRP A 79 7.026 8.973 -5.168 1.00 0.00 N ATOM 1216 CA TRP A 79 7.869 7.969 -4.534 1.00 0.00 C ATOM 1217 C TRP A 79 8.981 8.565 -3.684 1.00 0.00 C ATOM 1218 O TRP A 79 9.239 8.075 -2.590 1.00 0.00 O ATOM 1219 CB TRP A 79 8.480 7.071 -5.609 1.00 0.00 C ATOM 1220 CG TRP A 79 9.233 5.905 -5.053 1.00 0.00 C ATOM 1221 CD1 TRP A 79 10.587 5.776 -4.927 1.00 0.00 C ATOM 1222 CD2 TRP A 79 8.664 4.704 -4.539 1.00 0.00 C ATOM 1223 NE1 TRP A 79 10.891 4.559 -4.365 1.00 0.00 N ATOM 1224 CE2 TRP A 79 9.725 3.883 -4.120 1.00 0.00 C ATOM 1225 CE3 TRP A 79 7.357 4.245 -4.394 1.00 0.00 C ATOM 1226 CZ2 TRP A 79 9.515 2.626 -3.565 1.00 0.00 C ATOM 1227 CZ3 TRP A 79 7.149 3.002 -3.847 1.00 0.00 C ATOM 1228 CH2 TRP A 79 8.221 2.202 -3.438 1.00 0.00 C ATOM 0 H TRP A 79 6.818 8.761 -6.144 1.00 0.00 H new ATOM 0 HA TRP A 79 7.229 7.397 -3.862 1.00 0.00 H new ATOM 0 HB2 TRP A 79 7.686 6.704 -6.259 1.00 0.00 H new ATOM 0 HB3 TRP A 79 9.151 7.665 -6.229 1.00 0.00 H new ATOM 0 HD1 TRP A 79 11.311 6.520 -5.225 1.00 0.00 H new ATOM 0 HE1 TRP A 79 11.830 4.216 -4.164 1.00 0.00 H new ATOM 0 HE3 TRP A 79 6.522 4.855 -4.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 10.342 2.008 -3.246 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 6.140 2.636 -3.731 1.00 0.00 H new ATOM 0 HH2 TRP A 79 8.023 1.229 -3.013 1.00 0.00 H new ATOM 1239 N ASP A 80 9.625 9.620 -4.175 1.00 0.00 N ATOM 1240 CA ASP A 80 10.783 10.187 -3.488 1.00 0.00 C ATOM 1241 C ASP A 80 10.420 10.628 -2.076 1.00 0.00 C ATOM 1242 O ASP A 80 11.167 10.392 -1.123 1.00 0.00 O ATOM 1243 CB ASP A 80 11.354 11.370 -4.273 1.00 0.00 C ATOM 1244 CG ASP A 80 12.467 12.072 -3.521 1.00 0.00 C ATOM 1245 OD1 ASP A 80 13.586 11.520 -3.442 1.00 0.00 O ATOM 1246 OD2 ASP A 80 12.225 13.179 -3.002 1.00 0.00 O ATOM 0 H ASP A 80 9.368 10.097 -5.039 1.00 0.00 H new ATOM 0 HA ASP A 80 11.543 9.408 -3.423 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.732 11.018 -5.233 1.00 0.00 H new ATOM 0 HB3 ASP A 80 10.556 12.082 -4.486 1.00 0.00 H new ATOM 1251 N MET A 81 9.268 11.260 -1.940 1.00 0.00 N ATOM 1252 CA MET A 81 8.789 11.691 -0.646 1.00 0.00 C ATOM 1253 C MET A 81 8.047 10.558 0.056 1.00 0.00 C ATOM 1254 O MET A 81 8.030 10.480 1.283 1.00 0.00 O ATOM 1255 CB MET A 81 7.887 12.915 -0.810 1.00 0.00 C ATOM 1256 CG MET A 81 7.241 13.371 0.482 1.00 0.00 C ATOM 1257 SD MET A 81 6.318 14.912 0.302 1.00 0.00 S ATOM 1258 CE MET A 81 5.125 14.459 -0.954 1.00 0.00 C ATOM 0 H MET A 81 8.646 11.485 -2.717 1.00 0.00 H new ATOM 0 HA MET A 81 9.642 11.966 -0.025 1.00 0.00 H new ATOM 0 HB2 MET A 81 8.474 13.736 -1.222 1.00 0.00 H new ATOM 0 HB3 MET A 81 7.106 12.686 -1.535 1.00 0.00 H new ATOM 0 HG2 MET A 81 6.569 12.591 0.841 1.00 0.00 H new ATOM 0 HG3 MET A 81 8.012 13.502 1.241 1.00 0.00 H new ATOM 0 HE1 MET A 81 4.406 15.268 -1.082 1.00 0.00 H new ATOM 0 HE2 MET A 81 5.640 14.279 -1.897 1.00 0.00 H new ATOM 0 HE3 MET A 81 4.601 13.553 -0.648 1.00 0.00 H new ATOM 1268 N PHE A 82 7.468 9.658 -0.735 1.00 0.00 N ATOM 1269 CA PHE A 82 6.594 8.621 -0.202 1.00 0.00 C ATOM 1270 C PHE A 82 7.332 7.671 0.728 1.00 0.00 C ATOM 1271 O PHE A 82 6.799 7.282 1.770 1.00 0.00 O ATOM 1272 CB PHE A 82 5.939 7.811 -1.323 1.00 0.00 C ATOM 1273 CG PHE A 82 4.719 7.083 -0.846 1.00 0.00 C ATOM 1274 CD1 PHE A 82 4.826 5.912 -0.106 1.00 0.00 C ATOM 1275 CD2 PHE A 82 3.464 7.603 -1.094 1.00 0.00 C ATOM 1276 CE1 PHE A 82 3.691 5.279 0.367 1.00 0.00 C ATOM 1277 CE2 PHE A 82 2.332 6.984 -0.617 1.00 0.00 C ATOM 1278 CZ PHE A 82 2.443 5.822 0.113 1.00 0.00 C ATOM 0 H PHE A 82 7.589 9.627 -1.747 1.00 0.00 H new ATOM 0 HA PHE A 82 5.824 9.140 0.369 1.00 0.00 H new ATOM 0 HB2 PHE A 82 5.667 8.477 -2.142 1.00 0.00 H new ATOM 0 HB3 PHE A 82 6.657 7.094 -1.721 1.00 0.00 H new ATOM 0 HD1 PHE A 82 5.800 5.494 0.101 1.00 0.00 H new ATOM 0 HD2 PHE A 82 3.370 8.510 -1.672 1.00 0.00 H new ATOM 0 HE1 PHE A 82 3.778 4.363 0.933 1.00 0.00 H new ATOM 0 HE2 PHE A 82 1.359 7.408 -0.815 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.556 5.334 0.488 1.00 0.00 H new ATOM 1288 N VAL A 83 8.553 7.302 0.367 1.00 0.00 N ATOM 1289 CA VAL A 83 9.281 6.289 1.122 1.00 0.00 C ATOM 1290 C VAL A 83 9.498 6.734 2.559 1.00 0.00 C ATOM 1291 O VAL A 83 9.385 5.948 3.497 1.00 0.00 O ATOM 1292 CB VAL A 83 10.654 5.964 0.509 1.00 0.00 C ATOM 1293 CG1 VAL A 83 11.136 4.627 1.026 1.00 0.00 C ATOM 1294 CG2 VAL A 83 10.603 5.968 -1.006 1.00 0.00 C ATOM 0 H VAL A 83 9.057 7.683 -0.434 1.00 0.00 H new ATOM 0 HA VAL A 83 8.662 5.392 1.088 1.00 0.00 H new ATOM 0 HB VAL A 83 11.358 6.740 0.809 1.00 0.00 H new ATOM 0 HG11 VAL A 83 12.109 4.398 0.591 1.00 0.00 H new ATOM 0 HG12 VAL A 83 11.224 4.667 2.112 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.423 3.851 0.749 1.00 0.00 H new ATOM 0 HG21 VAL A 83 11.591 5.734 -1.404 1.00 0.00 H new ATOM 0 HG22 VAL A 83 9.888 5.220 -1.348 1.00 0.00 H new ATOM 0 HG23 VAL A 83 10.294 6.953 -1.357 1.00 0.00 H new ATOM 1304 N THR A 84 9.797 8.003 2.725 1.00 0.00 N ATOM 1305 CA THR A 84 10.028 8.563 4.037 1.00 0.00 C ATOM 1306 C THR A 84 8.708 8.844 4.763 1.00 0.00 C ATOM 1307 O THR A 84 8.690 9.133 5.958 1.00 0.00 O ATOM 1308 CB THR A 84 10.888 9.831 3.924 1.00 0.00 C ATOM 1309 OG1 THR A 84 10.364 10.694 2.904 1.00 0.00 O ATOM 1310 CG2 THR A 84 12.318 9.455 3.573 1.00 0.00 C ATOM 0 H THR A 84 9.886 8.672 1.960 1.00 0.00 H new ATOM 0 HA THR A 84 10.571 7.831 4.635 1.00 0.00 H new ATOM 0 HB THR A 84 10.870 10.351 4.882 1.00 0.00 H new ATOM 0 HG1 THR A 84 9.462 10.401 2.659 1.00 0.00 H new ATOM 0 HG21 THR A 84 12.923 10.358 3.494 1.00 0.00 H new ATOM 0 HG22 THR A 84 12.727 8.811 4.352 1.00 0.00 H new ATOM 0 HG23 THR A 84 12.332 8.925 2.621 1.00 0.00 H new ATOM 1318 N SER A 85 7.603 8.755 4.029 1.00 0.00 N ATOM 1319 CA SER A 85 6.288 9.036 4.587 1.00 0.00 C ATOM 1320 C SER A 85 5.626 7.797 5.196 1.00 0.00 C ATOM 1321 O SER A 85 4.866 7.915 6.159 1.00 0.00 O ATOM 1322 CB SER A 85 5.371 9.631 3.518 1.00 0.00 C ATOM 1323 OG SER A 85 5.810 10.917 3.120 1.00 0.00 O ATOM 0 H SER A 85 7.594 8.490 3.044 1.00 0.00 H new ATOM 0 HA SER A 85 6.439 9.756 5.391 1.00 0.00 H new ATOM 0 HB2 SER A 85 5.343 8.970 2.652 1.00 0.00 H new ATOM 0 HB3 SER A 85 4.354 9.695 3.904 1.00 0.00 H new ATOM 0 HG SER A 85 6.562 10.828 2.498 1.00 0.00 H new ATOM 1329 N CYS A 86 5.907 6.622 4.647 1.00 0.00 N ATOM 1330 CA CYS A 86 5.237 5.405 5.096 1.00 0.00 C ATOM 1331 C CYS A 86 5.998 4.715 6.216 1.00 0.00 C ATOM 1332 O CYS A 86 7.173 4.377 6.074 1.00 0.00 O ATOM 1333 CB CYS A 86 5.030 4.435 3.933 1.00 0.00 C ATOM 1334 SG CYS A 86 4.394 2.818 4.427 1.00 0.00 S ATOM 0 H CYS A 86 6.586 6.484 3.898 1.00 0.00 H new ATOM 0 HA CYS A 86 4.265 5.706 5.487 1.00 0.00 H new ATOM 0 HB2 CYS A 86 4.339 4.883 3.219 1.00 0.00 H new ATOM 0 HB3 CYS A 86 5.979 4.298 3.415 1.00 0.00 H new ATOM 0 HG CYS A 86 5.388 2.020 4.681 1.00 0.00 H new ATOM 1340 N LYS A 87 5.309 4.507 7.326 1.00 0.00 N ATOM 1341 CA LYS A 87 5.907 3.852 8.484 1.00 0.00 C ATOM 1342 C LYS A 87 5.177 2.553 8.836 1.00 0.00 C ATOM 1343 O LYS A 87 5.747 1.666 9.474 1.00 0.00 O ATOM 1344 CB LYS A 87 5.957 4.813 9.680 1.00 0.00 C ATOM 1345 CG LYS A 87 4.606 5.336 10.151 1.00 0.00 C ATOM 1346 CD LYS A 87 4.792 6.538 11.067 1.00 0.00 C ATOM 1347 CE LYS A 87 3.493 6.977 11.728 1.00 0.00 C ATOM 1348 NZ LYS A 87 2.999 5.981 12.714 1.00 0.00 N ATOM 0 H LYS A 87 4.335 4.781 7.452 1.00 0.00 H new ATOM 0 HA LYS A 87 6.931 3.580 8.226 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.442 4.305 10.513 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.585 5.663 9.416 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.998 5.617 9.291 1.00 0.00 H new ATOM 0 HG3 LYS A 87 4.068 4.548 10.679 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.523 6.293 11.838 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.201 7.368 10.492 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.647 7.934 12.227 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.733 7.135 10.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 2.180 5.477 12.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 3.755 5.299 12.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 2.716 6.469 13.588 1.00 0.00 H new ATOM 1362 N ARG A 88 3.918 2.441 8.418 1.00 0.00 N ATOM 1363 CA ARG A 88 3.149 1.208 8.592 1.00 0.00 C ATOM 1364 C ARG A 88 2.308 0.939 7.357 1.00 0.00 C ATOM 1365 O ARG A 88 1.914 1.872 6.660 1.00 0.00 O ATOM 1366 CB ARG A 88 2.239 1.292 9.817 1.00 0.00 C ATOM 1367 CG ARG A 88 2.996 1.508 11.107 1.00 0.00 C ATOM 1368 CD ARG A 88 2.069 1.504 12.307 1.00 0.00 C ATOM 1369 NE ARG A 88 2.793 1.732 13.556 1.00 0.00 N ATOM 1370 CZ ARG A 88 2.268 2.344 14.615 1.00 0.00 C ATOM 1371 NH1 ARG A 88 1.031 2.820 14.567 1.00 0.00 N ATOM 1372 NH2 ARG A 88 2.988 2.495 15.717 1.00 0.00 N ATOM 0 H ARG A 88 3.406 3.192 7.955 1.00 0.00 H new ATOM 0 HA ARG A 88 3.856 0.392 8.740 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.529 2.107 9.679 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.658 0.373 9.894 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.747 0.726 11.224 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.529 2.458 11.062 1.00 0.00 H new ATOM 0 HD2 ARG A 88 1.310 2.276 12.182 1.00 0.00 H new ATOM 0 HD3 ARG A 88 1.547 0.549 12.359 1.00 0.00 H new ATOM 0 HE ARG A 88 3.756 1.403 13.620 1.00 0.00 H new ATOM 0 HH11 ARG A 88 0.478 2.718 13.716 1.00 0.00 H new ATOM 0 HH12 ARG A 88 0.633 3.288 15.381 1.00 0.00 H new ATOM 0 HH21 ARG A 88 3.944 2.142 15.754 1.00 0.00 H new ATOM 0 HH22 ARG A 88 2.586 2.964 16.529 1.00 0.00 H new ATOM 1386 N LEU A 89 2.040 -0.331 7.089 1.00 0.00 N ATOM 1387 CA LEU A 89 1.344 -0.719 5.873 1.00 0.00 C ATOM 1388 C LEU A 89 0.117 -1.564 6.189 1.00 0.00 C ATOM 1389 O LEU A 89 0.152 -2.430 7.059 1.00 0.00 O ATOM 1390 CB LEU A 89 2.284 -1.516 4.965 1.00 0.00 C ATOM 1391 CG LEU A 89 2.100 -1.269 3.474 1.00 0.00 C ATOM 1392 CD1 LEU A 89 2.704 0.066 3.070 1.00 0.00 C ATOM 1393 CD2 LEU A 89 2.701 -2.400 2.662 1.00 0.00 C ATOM 0 H LEU A 89 2.294 -1.109 7.698 1.00 0.00 H new ATOM 0 HA LEU A 89 1.021 0.190 5.366 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.313 -1.277 5.233 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.141 -2.578 5.162 1.00 0.00 H new ATOM 0 HG LEU A 89 1.031 -1.234 3.266 1.00 0.00 H new ATOM 0 HD11 LEU A 89 2.561 0.221 2.001 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.215 0.869 3.622 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.770 0.067 3.297 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.557 -2.202 1.600 1.00 0.00 H new ATOM 0 HD22 LEU A 89 3.767 -2.475 2.876 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.211 -3.337 2.925 1.00 0.00 H new ATOM 1405 N ARG A 90 -0.976 -1.295 5.501 1.00 0.00 N ATOM 1406 CA ARG A 90 -2.148 -2.141 5.596 1.00 0.00 C ATOM 1407 C ARG A 90 -2.788 -2.337 4.233 1.00 0.00 C ATOM 1408 O ARG A 90 -3.275 -1.397 3.622 1.00 0.00 O ATOM 1409 CB ARG A 90 -3.175 -1.582 6.575 1.00 0.00 C ATOM 1410 CG ARG A 90 -4.468 -2.377 6.575 1.00 0.00 C ATOM 1411 CD ARG A 90 -5.350 -2.032 7.762 1.00 0.00 C ATOM 1412 NE ARG A 90 -5.626 -0.597 7.845 1.00 0.00 N ATOM 1413 CZ ARG A 90 -6.627 -0.069 8.553 1.00 0.00 C ATOM 1414 NH1 ARG A 90 -7.473 -0.858 9.209 1.00 0.00 N ATOM 1415 NH2 ARG A 90 -6.782 1.249 8.602 1.00 0.00 N ATOM 0 H ARG A 90 -1.076 -0.499 4.872 1.00 0.00 H new ATOM 0 HA ARG A 90 -1.812 -3.107 5.974 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.752 -1.581 7.580 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -3.390 -0.545 6.319 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.012 -2.183 5.651 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.238 -3.442 6.592 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -6.290 -2.578 7.685 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.865 -2.361 8.681 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.016 0.038 7.330 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.358 -1.871 9.172 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.236 -0.450 9.749 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.136 1.857 8.099 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.547 1.653 9.143 1.00 0.00 H new ATOM 1429 N ILE A 91 -2.792 -3.562 3.771 1.00 0.00 N ATOM 1430 CA ILE A 91 -3.490 -3.919 2.551 1.00 0.00 C ATOM 1431 C ILE A 91 -4.707 -4.689 2.965 1.00 0.00 C ATOM 1432 O ILE A 91 -4.626 -5.495 3.884 1.00 0.00 O ATOM 1433 CB ILE A 91 -2.646 -4.777 1.600 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -1.246 -4.172 1.459 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -3.331 -4.894 0.236 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -0.270 -5.049 0.718 1.00 0.00 C ATOM 0 H ILE A 91 -2.315 -4.341 4.224 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.732 -3.008 2.003 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.550 -5.780 2.015 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.325 -3.216 0.941 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.850 -3.964 2.453 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.719 -5.506 -0.427 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.309 -5.359 0.359 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.453 -3.901 -0.196 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.697 -4.550 0.661 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.159 -5.996 1.246 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.642 -5.236 -0.289 1.00 0.00 H new ATOM 1448 N MET A 92 -5.833 -4.408 2.362 1.00 0.00 N ATOM 1449 CA MET A 92 -7.082 -4.930 2.883 1.00 0.00 C ATOM 1450 C MET A 92 -8.194 -4.990 1.858 1.00 0.00 C ATOM 1451 O MET A 92 -8.155 -4.321 0.824 1.00 0.00 O ATOM 1452 CB MET A 92 -7.509 -4.102 4.076 1.00 0.00 C ATOM 1453 CG MET A 92 -7.530 -2.605 3.797 1.00 0.00 C ATOM 1454 SD MET A 92 -8.001 -1.627 5.235 1.00 0.00 S ATOM 1455 CE MET A 92 -7.793 0.032 4.590 1.00 0.00 C ATOM 0 H MET A 92 -5.918 -3.832 1.525 1.00 0.00 H new ATOM 0 HA MET A 92 -6.897 -5.963 3.179 1.00 0.00 H new ATOM 0 HB2 MET A 92 -8.503 -4.419 4.392 1.00 0.00 H new ATOM 0 HB3 MET A 92 -6.832 -4.300 4.907 1.00 0.00 H new ATOM 0 HG2 MET A 92 -6.543 -2.290 3.458 1.00 0.00 H new ATOM 0 HG3 MET A 92 -8.226 -2.402 2.983 1.00 0.00 H new ATOM 0 HE1 MET A 92 -7.925 0.755 5.395 1.00 0.00 H new ATOM 0 HE2 MET A 92 -6.793 0.136 4.170 1.00 0.00 H new ATOM 0 HE3 MET A 92 -8.534 0.216 3.812 1.00 0.00 H new ATOM 1465 N LYS A 93 -9.174 -5.825 2.183 1.00 0.00 N ATOM 1466 CA LYS A 93 -10.317 -6.100 1.336 1.00 0.00 C ATOM 1467 C LYS A 93 -11.068 -4.828 0.962 1.00 0.00 C ATOM 1468 O LYS A 93 -11.277 -3.942 1.792 1.00 0.00 O ATOM 1469 CB LYS A 93 -11.250 -7.053 2.081 1.00 0.00 C ATOM 1470 CG LYS A 93 -10.661 -8.435 2.315 1.00 0.00 C ATOM 1471 CD LYS A 93 -11.596 -9.317 3.130 1.00 0.00 C ATOM 1472 CE LYS A 93 -12.899 -9.586 2.393 1.00 0.00 C ATOM 1473 NZ LYS A 93 -13.841 -10.401 3.203 1.00 0.00 N ATOM 0 H LYS A 93 -9.192 -6.339 3.064 1.00 0.00 H new ATOM 0 HA LYS A 93 -9.964 -6.550 0.408 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -11.511 -6.612 3.043 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -12.176 -7.155 1.516 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -10.457 -8.910 1.356 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -9.707 -8.340 2.833 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -11.102 -10.263 3.353 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -11.810 -8.836 4.085 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -13.371 -8.638 2.134 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -12.686 -10.102 1.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -14.715 -10.560 2.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -13.402 -11.316 3.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -14.066 -9.898 4.085 1.00 0.00 H new ATOM 1487 N GLY A 94 -11.477 -4.766 -0.303 1.00 0.00 N ATOM 1488 CA GLY A 94 -12.220 -3.632 -0.813 1.00 0.00 C ATOM 1489 C GLY A 94 -13.538 -3.455 -0.109 1.00 0.00 C ATOM 1490 O GLY A 94 -14.046 -2.348 0.012 1.00 0.00 O ATOM 0 H GLY A 94 -11.301 -5.497 -0.993 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -11.624 -2.727 -0.698 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -12.395 -3.764 -1.881 1.00 0.00 H new ATOM 1494 N THR A 95 -14.075 -4.562 0.363 1.00 0.00 N ATOM 1495 CA THR A 95 -15.318 -4.566 1.124 1.00 0.00 C ATOM 1496 C THR A 95 -15.159 -3.808 2.444 1.00 0.00 C ATOM 1497 O THR A 95 -16.138 -3.370 3.047 1.00 0.00 O ATOM 1498 CB THR A 95 -15.770 -6.009 1.403 1.00 0.00 C ATOM 1499 OG1 THR A 95 -14.664 -6.779 1.895 1.00 0.00 O ATOM 1500 CG2 THR A 95 -16.321 -6.658 0.143 1.00 0.00 C ATOM 0 H THR A 95 -13.665 -5.487 0.232 1.00 0.00 H new ATOM 0 HA THR A 95 -16.077 -4.062 0.526 1.00 0.00 H new ATOM 0 HB THR A 95 -16.560 -5.981 2.153 1.00 0.00 H new ATOM 0 HG1 THR A 95 -14.961 -7.335 2.645 1.00 0.00 H new ATOM 0 HG21 THR A 95 -16.634 -7.678 0.366 1.00 0.00 H new ATOM 0 HG22 THR A 95 -17.177 -6.086 -0.216 1.00 0.00 H new ATOM 0 HG23 THR A 95 -15.548 -6.676 -0.625 1.00 0.00 H new ATOM 1508 N GLU A 96 -13.917 -3.654 2.878 1.00 0.00 N ATOM 1509 CA GLU A 96 -13.608 -2.926 4.101 1.00 0.00 C ATOM 1510 C GLU A 96 -13.132 -1.517 3.766 1.00 0.00 C ATOM 1511 O GLU A 96 -13.600 -0.530 4.334 1.00 0.00 O ATOM 1512 CB GLU A 96 -12.526 -3.660 4.901 1.00 0.00 C ATOM 1513 CG GLU A 96 -12.891 -5.089 5.265 1.00 0.00 C ATOM 1514 CD GLU A 96 -14.189 -5.184 6.036 1.00 0.00 C ATOM 1515 OE1 GLU A 96 -14.202 -4.843 7.237 1.00 0.00 O ATOM 1516 OE2 GLU A 96 -15.200 -5.610 5.446 1.00 0.00 O ATOM 0 H GLU A 96 -13.099 -4.027 2.396 1.00 0.00 H new ATOM 0 HA GLU A 96 -14.513 -2.865 4.705 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -11.603 -3.668 4.322 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -12.324 -3.103 5.816 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -12.971 -5.682 4.354 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -12.088 -5.524 5.860 1.00 0.00 H new ATOM 1523 N ALA A 97 -12.209 -1.438 2.813 1.00 0.00 N ATOM 1524 CA ALA A 97 -11.596 -0.174 2.417 1.00 0.00 C ATOM 1525 C ALA A 97 -12.594 0.764 1.747 1.00 0.00 C ATOM 1526 O ALA A 97 -12.383 1.975 1.716 1.00 0.00 O ATOM 1527 CB ALA A 97 -10.414 -0.432 1.495 1.00 0.00 C ATOM 0 H ALA A 97 -11.865 -2.246 2.294 1.00 0.00 H new ATOM 0 HA ALA A 97 -11.247 0.319 3.325 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -9.964 0.518 1.206 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -9.674 -1.041 2.014 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -10.756 -0.958 0.604 1.00 0.00 H new ATOM 1533 N LYS A 98 -13.673 0.200 1.219 1.00 0.00 N ATOM 1534 CA LYS A 98 -14.669 0.967 0.470 1.00 0.00 C ATOM 1535 C LYS A 98 -15.192 2.167 1.259 1.00 0.00 C ATOM 1536 O LYS A 98 -15.555 3.185 0.674 1.00 0.00 O ATOM 1537 CB LYS A 98 -15.836 0.066 0.053 1.00 0.00 C ATOM 1538 CG LYS A 98 -16.599 -0.543 1.221 1.00 0.00 C ATOM 1539 CD LYS A 98 -17.567 -1.634 0.775 1.00 0.00 C ATOM 1540 CE LYS A 98 -18.825 -1.081 0.106 1.00 0.00 C ATOM 1541 NZ LYS A 98 -18.569 -0.539 -1.259 1.00 0.00 N ATOM 0 H LYS A 98 -13.885 -0.795 1.295 1.00 0.00 H new ATOM 0 HA LYS A 98 -14.171 1.352 -0.420 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -16.529 0.646 -0.557 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -15.454 -0.738 -0.576 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -15.891 -0.960 1.937 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -17.152 0.241 1.739 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -17.057 -2.302 0.081 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -17.855 -2.232 1.640 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -19.573 -1.871 0.043 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -19.246 -0.293 0.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -19.345 -0.815 -1.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -18.510 0.498 -1.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -17.673 -0.921 -1.622 1.00 0.00 H new ATOM 1555 N GLY A 99 -15.212 2.052 2.580 1.00 0.00 N ATOM 1556 CA GLY A 99 -15.693 3.135 3.409 1.00 0.00 C ATOM 1557 C GLY A 99 -14.800 4.361 3.351 1.00 0.00 C ATOM 1558 O GLY A 99 -15.287 5.490 3.322 1.00 0.00 O ATOM 0 H GLY A 99 -14.903 1.226 3.092 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -16.700 3.409 3.093 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -15.765 2.792 4.441 1.00 0.00 H new ATOM 1562 N LEU A 100 -13.490 4.147 3.321 1.00 0.00 N ATOM 1563 CA LEU A 100 -12.545 5.256 3.375 1.00 0.00 C ATOM 1564 C LEU A 100 -11.932 5.555 2.017 1.00 0.00 C ATOM 1565 O LEU A 100 -11.563 6.687 1.734 1.00 0.00 O ATOM 1566 CB LEU A 100 -11.447 4.931 4.394 1.00 0.00 C ATOM 1567 CG LEU A 100 -10.720 3.599 4.166 1.00 0.00 C ATOM 1568 CD1 LEU A 100 -9.428 3.807 3.387 1.00 0.00 C ATOM 1569 CD2 LEU A 100 -10.447 2.907 5.494 1.00 0.00 C ATOM 0 H LEU A 100 -13.060 3.224 3.260 1.00 0.00 H new ATOM 0 HA LEU A 100 -13.088 6.150 3.681 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.711 5.735 4.381 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -11.889 4.920 5.390 1.00 0.00 H new ATOM 0 HG LEU A 100 -11.368 2.956 3.570 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -8.933 2.847 3.240 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.655 4.251 2.418 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.770 4.472 3.945 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -9.931 1.964 5.314 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -9.824 3.548 6.117 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.391 2.712 6.004 1.00 0.00 H new ATOM 1581 N GLY A 101 -11.890 4.561 1.162 1.00 0.00 N ATOM 1582 CA GLY A 101 -11.217 4.718 -0.108 1.00 0.00 C ATOM 1583 C GLY A 101 -12.179 4.882 -1.237 1.00 0.00 C ATOM 1584 O GLY A 101 -12.049 5.792 -2.054 1.00 0.00 O ATOM 0 H GLY A 101 -12.308 3.644 1.318 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -10.559 5.586 -0.064 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.586 3.849 -0.293 1.00 0.00 H new ATOM 1588 N CYS A 102 -13.151 3.999 -1.271 1.00 0.00 N ATOM 1589 CA CYS A 102 -14.150 4.016 -2.324 1.00 0.00 C ATOM 1590 C CYS A 102 -15.194 5.089 -2.061 1.00 0.00 C ATOM 1591 O CYS A 102 -16.193 5.201 -2.775 1.00 0.00 O ATOM 1592 CB CYS A 102 -14.802 2.646 -2.469 1.00 0.00 C ATOM 1593 SG CYS A 102 -13.613 1.298 -2.663 1.00 0.00 S ATOM 0 H CYS A 102 -13.274 3.257 -0.582 1.00 0.00 H new ATOM 0 HA CYS A 102 -13.651 4.255 -3.263 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -15.420 2.452 -1.592 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -15.468 2.659 -3.332 1.00 0.00 H new ATOM 0 HG CYS A 102 -14.250 0.171 -2.777 1.00 0.00 H new ATOM 1599 N GLY A 103 -14.959 5.877 -1.027 1.00 0.00 N ATOM 1600 CA GLY A 103 -15.739 7.064 -0.822 1.00 0.00 C ATOM 1601 C GLY A 103 -15.037 8.259 -1.403 1.00 0.00 C ATOM 1602 O GLY A 103 -15.138 9.374 -0.894 1.00 0.00 O ATOM 0 H GLY A 103 -14.237 5.710 -0.326 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -16.718 6.948 -1.287 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -15.908 7.216 0.244 1.00 0.00 H new ATOM 1606 N VAL A 104 -14.337 7.974 -2.493 1.00 0.00 N ATOM 1607 CA VAL A 104 -13.533 8.932 -3.253 1.00 0.00 C ATOM 1608 C VAL A 104 -12.861 9.995 -2.366 1.00 0.00 C ATOM 1609 O VAL A 104 -13.274 11.156 -2.313 1.00 0.00 O ATOM 1610 CB VAL A 104 -14.358 9.568 -4.410 1.00 0.00 C ATOM 1611 CG1 VAL A 104 -15.592 10.303 -3.905 1.00 0.00 C ATOM 1612 CG2 VAL A 104 -13.489 10.477 -5.269 1.00 0.00 C ATOM 0 H VAL A 104 -14.310 7.035 -2.890 1.00 0.00 H new ATOM 0 HA VAL A 104 -12.716 8.367 -3.701 1.00 0.00 H new ATOM 0 HB VAL A 104 -14.712 8.748 -5.034 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -16.133 10.729 -4.750 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -16.239 9.605 -3.374 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -15.288 11.102 -3.229 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -14.092 10.907 -6.069 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -13.079 11.277 -4.653 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -12.673 9.898 -5.701 1.00 0.00 H new ATOM 1622 N GLY A 105 -11.825 9.577 -1.645 1.00 0.00 N ATOM 1623 CA GLY A 105 -11.041 10.523 -0.874 1.00 0.00 C ATOM 1624 C GLY A 105 -10.828 10.101 0.568 1.00 0.00 C ATOM 1625 O GLY A 105 -11.445 10.655 1.477 1.00 0.00 O ATOM 0 H GLY A 105 -11.516 8.607 -1.581 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -10.071 10.654 -1.353 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -11.538 11.493 -0.891 1.00 0.00 H new ATOM 1629 N SER A 106 -9.963 9.117 0.779 1.00 0.00 N ATOM 1630 CA SER A 106 -9.569 8.714 2.123 1.00 0.00 C ATOM 1631 C SER A 106 -8.834 9.846 2.833 1.00 0.00 C ATOM 1632 O SER A 106 -7.681 10.142 2.520 1.00 0.00 O ATOM 1633 CB SER A 106 -8.675 7.471 2.059 1.00 0.00 C ATOM 1634 OG SER A 106 -8.386 6.977 3.354 1.00 0.00 O ATOM 0 H SER A 106 -9.519 8.581 0.033 1.00 0.00 H new ATOM 0 HA SER A 106 -10.471 8.478 2.688 1.00 0.00 H new ATOM 0 HB2 SER A 106 -9.169 6.695 1.474 1.00 0.00 H new ATOM 0 HB3 SER A 106 -7.745 7.715 1.545 1.00 0.00 H new ATOM 0 HG SER A 106 -7.418 7.002 3.505 1.00 0.00 H new ATOM 1640 N HIS A 107 -9.515 10.489 3.769 1.00 0.00 N ATOM 1641 CA HIS A 107 -8.918 11.553 4.562 1.00 0.00 C ATOM 1642 C HIS A 107 -8.890 11.149 6.025 1.00 0.00 C ATOM 1643 O HIS A 107 -9.873 11.439 6.740 1.00 0.00 O ATOM 1644 CB HIS A 107 -9.703 12.859 4.407 1.00 0.00 C ATOM 1645 CG HIS A 107 -9.729 13.396 3.012 1.00 0.00 C ATOM 1646 ND1 HIS A 107 -10.702 14.254 2.558 1.00 0.00 N ATOM 1647 CD2 HIS A 107 -8.884 13.202 1.975 1.00 0.00 C ATOM 1648 CE1 HIS A 107 -10.456 14.566 1.300 1.00 0.00 C ATOM 1649 NE2 HIS A 107 -9.358 13.941 0.921 1.00 0.00 N ATOM 0 H HIS A 107 -10.489 10.291 3.999 1.00 0.00 H new ATOM 0 HA HIS A 107 -7.901 11.716 4.205 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -10.728 12.696 4.741 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -9.269 13.611 5.066 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -8.000 12.581 1.976 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -11.053 15.222 0.684 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -8.931 13.998 -0.004 1.00 0.00 H new TER 1658 HIS A 107