USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 672 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 1 GLY N :NH3+ -179:sc= 0.781 (180deg=0.0145) USER MOD Set 1.2: A 46 TYR OH : rot 180:sc= 0.581 USER MOD Set 2.1: A 41 SER OG : rot 180:sc= -1.52 USER MOD Set 2.2: A 43 SER OG : rot -31:sc= -0.949! USER MOD Set 3.1: A 10 SER OG : rot 180:sc= 0.762 USER MOD Set 3.2: A 14 THR OG1 : rot 156:sc= 0.529! USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= -1.73 USER MOD Single : A 12 CYS SG : rot -145:sc= -9.39! USER MOD Single : A 13 LYS NZ :NH3+ 131:sc= -15.4! (180deg=-16.2!) USER MOD Single : A 15 TYR OH : rot 100:sc= -6.58! USER MOD Single : A 16 CYS SG : rot -150:sc= -5.83! USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -17:sc= -0.854 USER MOD Single : A 22 SER OG : rot 58:sc= 1.14 USER MOD Single : A 23 LYS NZ :NH3+ -163:sc= -0.0593 (180deg=-0.405) USER MOD Single : A 24 LYS NZ :NH3+ -139:sc= -1.44 (180deg=-4.38!) USER MOD Single : A 29 MET CE :methyl 166:sc= -2.2! (180deg=-2.48!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.378 X(o=-0.38,f=-0.46) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0.54 (180deg=0.54) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 122:sc= -15.1! USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -1.93! C(o=-1.9!,f=-2.9!) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.119 USER MOD Single : A 82 LYS NZ :NH3+ -156:sc= -1.07! (180deg=-2.82!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.796 -8.480 11.489 1.00 0.00 N ATOM 2 CA GLY A 1 11.062 -7.072 11.248 1.00 0.00 C ATOM 3 C GLY A 1 9.849 -6.215 11.612 1.00 0.00 C ATOM 4 O GLY A 1 8.821 -6.270 10.939 1.00 0.00 O ATOM 0 H1 GLY A 1 11.640 -9.039 11.250 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.559 -8.622 12.492 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.998 -8.789 10.898 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.924 -6.756 11.835 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.317 -6.921 10.199 1.00 0.00 H new ATOM 8 N GLU A 2 10.008 -5.442 12.676 1.00 0.00 N ATOM 9 CA GLU A 2 8.938 -4.574 13.138 1.00 0.00 C ATOM 10 C GLU A 2 8.574 -3.558 12.054 1.00 0.00 C ATOM 11 O GLU A 2 7.542 -2.894 12.142 1.00 0.00 O ATOM 12 CB GLU A 2 9.325 -3.871 14.441 1.00 0.00 C ATOM 13 CG GLU A 2 8.143 -3.824 15.411 1.00 0.00 C ATOM 14 CD GLU A 2 8.577 -3.293 16.779 1.00 0.00 C ATOM 15 OE1 GLU A 2 9.586 -2.579 16.874 1.00 0.00 O ATOM 16 OE2 GLU A 2 7.824 -3.645 17.764 1.00 0.00 O ATOM 0 H GLU A 2 10.862 -5.399 13.232 1.00 0.00 H new ATOM 0 HA GLU A 2 8.061 -5.188 13.342 1.00 0.00 H new ATOM 0 HB2 GLU A 2 10.161 -4.394 14.906 1.00 0.00 H new ATOM 0 HB3 GLU A 2 9.663 -2.858 14.225 1.00 0.00 H new ATOM 0 HG2 GLU A 2 7.358 -3.188 15.002 1.00 0.00 H new ATOM 0 HG3 GLU A 2 7.719 -4.822 15.522 1.00 0.00 H new ATOM 24 N ALA A 3 9.441 -3.468 11.056 1.00 0.00 N ATOM 25 CA ALA A 3 9.224 -2.544 9.957 1.00 0.00 C ATOM 26 C ALA A 3 8.332 -3.208 8.906 1.00 0.00 C ATOM 27 O ALA A 3 7.481 -2.554 8.305 1.00 0.00 O ATOM 28 CB ALA A 3 10.573 -2.106 9.383 1.00 0.00 C ATOM 0 H ALA A 3 10.296 -4.020 10.986 1.00 0.00 H new ATOM 0 HA ALA A 3 8.712 -1.647 10.306 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.410 -1.412 8.558 1.00 0.00 H new ATOM 0 HB2 ALA A 3 11.157 -1.614 10.161 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.115 -2.979 9.021 1.00 0.00 H new ATOM 34 N VAL A 4 8.557 -4.500 8.717 1.00 0.00 N ATOM 35 CA VAL A 4 7.784 -5.261 7.750 1.00 0.00 C ATOM 36 C VAL A 4 6.301 -4.914 7.902 1.00 0.00 C ATOM 37 O VAL A 4 5.536 -5.011 6.944 1.00 0.00 O ATOM 38 CB VAL A 4 8.068 -6.756 7.912 1.00 0.00 C ATOM 39 CG1 VAL A 4 6.882 -7.472 8.560 1.00 0.00 C ATOM 40 CG2 VAL A 4 8.427 -7.394 6.569 1.00 0.00 C ATOM 0 H VAL A 4 9.264 -5.039 9.217 1.00 0.00 H new ATOM 0 HA VAL A 4 8.077 -4.997 6.734 1.00 0.00 H new ATOM 0 HB VAL A 4 8.927 -6.864 8.574 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.110 -8.533 8.664 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.692 -7.044 9.544 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.998 -7.350 7.935 1.00 0.00 H new ATOM 0 HG21 VAL A 4 8.624 -8.456 6.712 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.597 -7.269 5.874 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.316 -6.911 6.163 1.00 0.00 H new ATOM 50 N ILE A 5 5.941 -4.518 9.114 1.00 0.00 N ATOM 51 CA ILE A 5 4.563 -4.156 9.404 1.00 0.00 C ATOM 52 C ILE A 5 4.380 -2.652 9.194 1.00 0.00 C ATOM 53 O ILE A 5 3.668 -2.231 8.284 1.00 0.00 O ATOM 54 CB ILE A 5 4.167 -4.635 10.802 1.00 0.00 C ATOM 55 CG1 ILE A 5 4.993 -5.854 11.219 1.00 0.00 C ATOM 56 CG2 ILE A 5 2.663 -4.906 10.883 1.00 0.00 C ATOM 57 CD1 ILE A 5 6.491 -5.575 11.079 1.00 0.00 C ATOM 0 H ILE A 5 6.579 -4.440 9.906 1.00 0.00 H new ATOM 0 HA ILE A 5 3.884 -4.659 8.715 1.00 0.00 H new ATOM 0 HB ILE A 5 4.389 -3.838 11.512 1.00 0.00 H new ATOM 0 HG12 ILE A 5 4.763 -6.117 12.251 1.00 0.00 H new ATOM 0 HG13 ILE A 5 4.720 -6.711 10.603 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.408 -5.245 11.887 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.116 -3.990 10.659 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.393 -5.676 10.160 1.00 0.00 H new ATOM 0 HD11 ILE A 5 7.055 -6.457 11.382 1.00 0.00 H new ATOM 0 HD12 ILE A 5 6.721 -5.336 10.041 1.00 0.00 H new ATOM 0 HD13 ILE A 5 6.765 -4.733 11.715 1.00 0.00 H new ATOM 69 N LYS A 6 5.036 -1.883 10.051 1.00 0.00 N ATOM 70 CA LYS A 6 4.955 -0.435 9.971 1.00 0.00 C ATOM 71 C LYS A 6 5.247 0.010 8.536 1.00 0.00 C ATOM 72 O LYS A 6 4.876 1.112 8.136 1.00 0.00 O ATOM 73 CB LYS A 6 5.869 0.212 11.013 1.00 0.00 C ATOM 74 CG LYS A 6 7.213 0.603 10.396 1.00 0.00 C ATOM 75 CD LYS A 6 7.201 2.061 9.933 1.00 0.00 C ATOM 76 CE LYS A 6 8.176 2.906 10.757 1.00 0.00 C ATOM 77 NZ LYS A 6 9.307 3.358 9.916 1.00 0.00 N ATOM 0 H LYS A 6 5.626 -2.236 10.804 1.00 0.00 H new ATOM 0 HA LYS A 6 3.947 -0.097 10.211 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.385 1.096 11.428 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.032 -0.480 11.839 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.009 0.456 11.126 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.432 -0.049 9.550 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.470 2.114 8.878 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.194 2.467 10.026 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.657 3.769 11.173 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.551 2.323 11.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.959 3.930 10.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.812 2.530 9.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.946 3.932 9.127 1.00 0.00 H new ATOM 90 N VAL A 7 5.909 -0.872 7.801 1.00 0.00 N ATOM 91 CA VAL A 7 6.255 -0.584 6.420 1.00 0.00 C ATOM 92 C VAL A 7 4.975 -0.485 5.587 1.00 0.00 C ATOM 93 O VAL A 7 4.593 0.602 5.157 1.00 0.00 O ATOM 94 CB VAL A 7 7.230 -1.640 5.894 1.00 0.00 C ATOM 95 CG1 VAL A 7 6.605 -3.036 5.943 1.00 0.00 C ATOM 96 CG2 VAL A 7 7.697 -1.298 4.477 1.00 0.00 C ATOM 0 H VAL A 7 6.215 -1.786 8.136 1.00 0.00 H new ATOM 0 HA VAL A 7 6.765 0.376 6.347 1.00 0.00 H new ATOM 0 HB VAL A 7 8.105 -1.641 6.544 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.318 -3.768 5.564 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.345 -3.282 6.973 1.00 0.00 H new ATOM 0 HG13 VAL A 7 5.705 -3.054 5.328 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.389 -2.064 4.127 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.836 -1.255 3.810 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.200 -0.331 4.483 1.00 0.00 H new ATOM 106 N ILE A 8 4.348 -1.635 5.385 1.00 0.00 N ATOM 107 CA ILE A 8 3.119 -1.691 4.612 1.00 0.00 C ATOM 108 C ILE A 8 2.220 -0.517 5.006 1.00 0.00 C ATOM 109 O ILE A 8 1.656 0.154 4.143 1.00 0.00 O ATOM 110 CB ILE A 8 2.450 -3.058 4.769 1.00 0.00 C ATOM 111 CG1 ILE A 8 1.179 -3.146 3.921 1.00 0.00 C ATOM 112 CG2 ILE A 8 2.179 -3.370 6.242 1.00 0.00 C ATOM 113 CD1 ILE A 8 1.514 -3.473 2.464 1.00 0.00 C ATOM 0 H ILE A 8 4.668 -2.535 5.743 1.00 0.00 H new ATOM 0 HA ILE A 8 3.332 -1.586 3.548 1.00 0.00 H new ATOM 0 HB ILE A 8 3.137 -3.819 4.400 1.00 0.00 H new ATOM 0 HG12 ILE A 8 0.519 -3.912 4.327 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.638 -2.201 3.970 1.00 0.00 H new ATOM 0 HG21 ILE A 8 1.703 -4.347 6.325 1.00 0.00 H new ATOM 0 HG22 ILE A 8 3.120 -3.377 6.792 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.520 -2.609 6.660 1.00 0.00 H new ATOM 0 HD11 ILE A 8 0.594 -3.530 1.883 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.154 -2.692 2.054 1.00 0.00 H new ATOM 0 HD13 ILE A 8 2.033 -4.430 2.416 1.00 0.00 H new ATOM 125 N SER A 9 2.115 -0.305 6.309 1.00 0.00 N ATOM 126 CA SER A 9 1.294 0.776 6.828 1.00 0.00 C ATOM 127 C SER A 9 1.878 2.126 6.404 1.00 0.00 C ATOM 128 O SER A 9 1.251 2.867 5.648 1.00 0.00 O ATOM 129 CB SER A 9 1.182 0.701 8.352 1.00 0.00 C ATOM 130 OG SER A 9 1.739 1.850 8.985 1.00 0.00 O ATOM 0 H SER A 9 2.585 -0.863 7.022 1.00 0.00 H new ATOM 0 HA SER A 9 0.292 0.674 6.412 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.134 0.604 8.634 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.692 -0.193 8.710 1.00 0.00 H new ATOM 0 HG SER A 9 1.647 1.765 9.957 1.00 0.00 H new ATOM 136 N SER A 10 3.070 2.404 6.910 1.00 0.00 N ATOM 137 CA SER A 10 3.745 3.651 6.593 1.00 0.00 C ATOM 138 C SER A 10 4.090 3.696 5.103 1.00 0.00 C ATOM 139 O SER A 10 3.804 4.682 4.426 1.00 0.00 O ATOM 140 CB SER A 10 5.011 3.821 7.436 1.00 0.00 C ATOM 141 OG SER A 10 5.059 5.093 8.076 1.00 0.00 O ATOM 0 H SER A 10 3.586 1.787 7.537 1.00 0.00 H new ATOM 0 HA SER A 10 3.070 4.474 6.828 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.053 3.034 8.189 1.00 0.00 H new ATOM 0 HB3 SER A 10 5.889 3.701 6.801 1.00 0.00 H new ATOM 0 HG SER A 10 5.881 5.162 8.605 1.00 0.00 H new ATOM 147 N ALA A 11 4.699 2.616 4.636 1.00 0.00 N ATOM 148 CA ALA A 11 5.085 2.520 3.239 1.00 0.00 C ATOM 149 C ALA A 11 3.885 2.871 2.357 1.00 0.00 C ATOM 150 O ALA A 11 4.050 3.225 1.191 1.00 0.00 O ATOM 151 CB ALA A 11 5.627 1.117 2.954 1.00 0.00 C ATOM 0 H ALA A 11 4.935 1.800 5.201 1.00 0.00 H new ATOM 0 HA ALA A 11 5.880 3.230 3.011 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.917 1.045 1.906 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.496 0.928 3.584 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.855 0.378 3.169 1.00 0.00 H new ATOM 157 N CYS A 12 2.705 2.762 2.948 1.00 0.00 N ATOM 158 CA CYS A 12 1.478 3.064 2.231 1.00 0.00 C ATOM 159 C CYS A 12 1.371 4.583 2.080 1.00 0.00 C ATOM 160 O CYS A 12 1.332 5.098 0.964 1.00 0.00 O ATOM 161 CB CYS A 12 0.253 2.472 2.932 1.00 0.00 C ATOM 162 SG CYS A 12 -1.277 3.203 2.242 1.00 0.00 S ATOM 0 H CYS A 12 2.572 2.469 3.916 1.00 0.00 H new ATOM 0 HA CYS A 12 1.508 2.603 1.244 1.00 0.00 H new ATOM 0 HB2 CYS A 12 0.238 1.390 2.804 1.00 0.00 H new ATOM 0 HB3 CYS A 12 0.308 2.666 4.003 1.00 0.00 H new ATOM 0 HG CYS A 12 -2.162 3.329 3.186 1.00 0.00 H new ATOM 168 N LYS A 13 1.326 5.257 3.220 1.00 0.00 N ATOM 169 CA LYS A 13 1.224 6.706 3.229 1.00 0.00 C ATOM 170 C LYS A 13 2.628 7.311 3.292 1.00 0.00 C ATOM 171 O LYS A 13 2.966 8.188 2.498 1.00 0.00 O ATOM 172 CB LYS A 13 0.302 7.172 4.358 1.00 0.00 C ATOM 173 CG LYS A 13 -0.868 7.990 3.808 1.00 0.00 C ATOM 174 CD LYS A 13 -1.725 7.151 2.858 1.00 0.00 C ATOM 175 CE LYS A 13 -2.203 7.987 1.669 1.00 0.00 C ATOM 176 NZ LYS A 13 -1.086 8.781 1.111 1.00 0.00 N ATOM 0 H LYS A 13 1.358 4.826 4.144 1.00 0.00 H new ATOM 0 HA LYS A 13 0.764 7.061 2.307 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.078 6.307 4.902 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.868 7.773 5.070 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.482 8.353 4.632 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -0.488 8.867 3.283 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.148 6.298 2.499 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.585 6.751 3.395 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.613 7.334 0.899 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.007 8.652 1.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.053 8.657 0.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.229 9.787 1.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.189 8.458 1.527 1.00 0.00 H new ATOM 189 N THR A 14 3.407 6.819 4.244 1.00 0.00 N ATOM 190 CA THR A 14 4.767 7.300 4.421 1.00 0.00 C ATOM 191 C THR A 14 5.562 7.142 3.123 1.00 0.00 C ATOM 192 O THR A 14 6.469 7.925 2.847 1.00 0.00 O ATOM 193 CB THR A 14 5.382 6.554 5.606 1.00 0.00 C ATOM 194 OG1 THR A 14 4.527 6.874 6.700 1.00 0.00 O ATOM 195 CG2 THR A 14 6.741 7.124 6.016 1.00 0.00 C ATOM 0 H THR A 14 3.123 6.092 4.901 1.00 0.00 H new ATOM 0 HA THR A 14 4.783 8.366 4.647 1.00 0.00 H new ATOM 0 HB THR A 14 5.493 5.500 5.352 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.590 6.172 7.381 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.133 6.558 6.861 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.434 7.051 5.178 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.626 8.170 6.302 1.00 0.00 H new ATOM 203 N TYR A 15 5.192 6.123 2.361 1.00 0.00 N ATOM 204 CA TYR A 15 5.860 5.851 1.100 1.00 0.00 C ATOM 205 C TYR A 15 5.537 6.932 0.065 1.00 0.00 C ATOM 206 O TYR A 15 6.398 7.738 -0.285 1.00 0.00 O ATOM 207 CB TYR A 15 5.307 4.512 0.610 1.00 0.00 C ATOM 208 CG TYR A 15 6.261 3.742 -0.306 1.00 0.00 C ATOM 209 CD1 TYR A 15 7.180 4.425 -1.075 1.00 0.00 C ATOM 210 CD2 TYR A 15 6.202 2.364 -0.362 1.00 0.00 C ATOM 211 CE1 TYR A 15 8.078 3.700 -1.937 1.00 0.00 C ATOM 212 CE2 TYR A 15 7.100 1.639 -1.223 1.00 0.00 C ATOM 213 CZ TYR A 15 7.994 2.343 -1.968 1.00 0.00 C ATOM 214 OH TYR A 15 8.842 1.659 -2.782 1.00 0.00 O ATOM 0 H TYR A 15 4.438 5.476 2.593 1.00 0.00 H new ATOM 0 HA TYR A 15 6.942 5.832 1.234 1.00 0.00 H new ATOM 0 HB2 TYR A 15 5.069 3.891 1.474 1.00 0.00 H new ATOM 0 HB3 TYR A 15 4.373 4.689 0.078 1.00 0.00 H new ATOM 0 HD1 TYR A 15 7.226 5.503 -1.031 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.482 1.830 0.240 1.00 0.00 H new ATOM 0 HE1 TYR A 15 8.802 4.222 -2.545 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.064 0.561 -1.276 1.00 0.00 H new ATOM 0 HH TYR A 15 9.587 1.304 -2.254 1.00 0.00 H new ATOM 224 N CYS A 16 4.295 6.913 -0.395 1.00 0.00 N ATOM 225 CA CYS A 16 3.848 7.881 -1.383 1.00 0.00 C ATOM 226 C CYS A 16 2.960 8.909 -0.680 1.00 0.00 C ATOM 227 O CYS A 16 1.883 9.242 -1.170 1.00 0.00 O ATOM 228 CB CYS A 16 3.125 7.206 -2.550 1.00 0.00 C ATOM 229 SG CYS A 16 3.833 7.776 -4.138 1.00 0.00 S ATOM 0 H CYS A 16 3.584 6.243 -0.102 1.00 0.00 H new ATOM 0 HA CYS A 16 4.711 8.385 -1.819 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.218 6.123 -2.469 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.061 7.438 -2.513 1.00 0.00 H new ATOM 0 HG CYS A 16 2.914 7.750 -5.057 1.00 0.00 H new ATOM 235 N GLY A 17 3.446 9.384 0.458 1.00 0.00 N ATOM 236 CA GLY A 17 2.710 10.368 1.234 1.00 0.00 C ATOM 237 C GLY A 17 3.600 10.998 2.307 1.00 0.00 C ATOM 238 O GLY A 17 3.382 12.140 2.707 1.00 0.00 O ATOM 0 H GLY A 17 4.341 9.106 0.861 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.326 11.145 0.573 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.848 9.895 1.704 1.00 0.00 H new ATOM 242 N LYS A 18 4.584 10.225 2.742 1.00 0.00 N ATOM 243 CA LYS A 18 5.508 10.693 3.762 1.00 0.00 C ATOM 244 C LYS A 18 4.757 11.578 4.758 1.00 0.00 C ATOM 245 O LYS A 18 4.091 11.075 5.662 1.00 0.00 O ATOM 246 CB LYS A 18 6.714 11.379 3.117 1.00 0.00 C ATOM 247 CG LYS A 18 7.840 10.377 2.855 1.00 0.00 C ATOM 248 CD LYS A 18 7.767 9.831 1.427 1.00 0.00 C ATOM 249 CE LYS A 18 8.799 8.724 1.210 1.00 0.00 C ATOM 250 NZ LYS A 18 10.160 9.297 1.103 1.00 0.00 N ATOM 0 H LYS A 18 4.762 9.278 2.407 1.00 0.00 H new ATOM 0 HA LYS A 18 5.912 9.852 4.325 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.413 11.846 2.179 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.075 12.175 3.768 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.805 10.859 3.015 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.772 9.554 3.567 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.767 9.444 1.233 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.940 10.639 0.716 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.760 8.016 2.037 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.560 8.168 0.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.848 8.531 0.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.197 9.955 0.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.392 9.807 1.979 1.00 0.00 H new ATOM 263 N THR A 19 4.888 12.881 4.558 1.00 0.00 N ATOM 264 CA THR A 19 4.229 13.841 5.428 1.00 0.00 C ATOM 265 C THR A 19 2.828 13.351 5.798 1.00 0.00 C ATOM 266 O THR A 19 2.320 13.666 6.874 1.00 0.00 O ATOM 267 CB THR A 19 4.231 15.198 4.722 1.00 0.00 C ATOM 268 OG1 THR A 19 5.606 15.573 4.695 1.00 0.00 O ATOM 269 CG2 THR A 19 3.563 16.293 5.555 1.00 0.00 C ATOM 0 H THR A 19 5.440 13.295 3.807 1.00 0.00 H new ATOM 0 HA THR A 19 4.762 13.949 6.373 1.00 0.00 H new ATOM 0 HB THR A 19 3.720 15.109 3.763 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.699 16.442 4.252 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.592 17.235 5.008 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.526 16.019 5.752 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.094 16.406 6.500 1.00 0.00 H new ATOM 277 N SER A 20 2.242 12.589 4.887 1.00 0.00 N ATOM 278 CA SER A 20 0.909 12.053 5.104 1.00 0.00 C ATOM 279 C SER A 20 0.716 11.716 6.584 1.00 0.00 C ATOM 280 O SER A 20 1.561 11.060 7.191 1.00 0.00 O ATOM 281 CB SER A 20 0.667 10.813 4.241 1.00 0.00 C ATOM 282 OG SER A 20 1.659 9.813 4.453 1.00 0.00 O ATOM 0 H SER A 20 2.666 12.330 3.996 1.00 0.00 H new ATOM 0 HA SER A 20 0.183 12.812 4.813 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.317 10.401 4.466 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.660 11.099 3.189 1.00 0.00 H new ATOM 0 HG SER A 20 2.439 10.213 4.891 1.00 0.00 H new ATOM 288 N PRO A 21 -0.432 12.191 7.137 1.00 0.00 N ATOM 289 CA PRO A 21 -0.748 11.947 8.534 1.00 0.00 C ATOM 290 C PRO A 21 -1.202 10.502 8.749 1.00 0.00 C ATOM 291 O PRO A 21 -0.625 9.781 9.561 1.00 0.00 O ATOM 292 CB PRO A 21 -1.822 12.965 8.878 1.00 0.00 C ATOM 293 CG PRO A 21 -2.399 13.429 7.550 1.00 0.00 C ATOM 294 CD PRO A 21 -1.457 12.972 6.449 1.00 0.00 C ATOM 0 HA PRO A 21 0.116 12.064 9.188 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -2.595 12.520 9.505 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -1.402 13.802 9.435 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -3.394 13.011 7.399 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.504 14.514 7.537 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -1.980 12.371 5.705 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.021 13.821 5.923 1.00 0.00 H new ATOM 302 N SER A 22 -2.232 10.123 8.007 1.00 0.00 N ATOM 303 CA SER A 22 -2.771 8.777 8.106 1.00 0.00 C ATOM 304 C SER A 22 -3.987 8.631 7.190 1.00 0.00 C ATOM 305 O SER A 22 -4.932 7.915 7.516 1.00 0.00 O ATOM 306 CB SER A 22 -3.150 8.441 9.549 1.00 0.00 C ATOM 307 OG SER A 22 -4.545 8.607 9.787 1.00 0.00 O ATOM 0 H SER A 22 -2.708 10.725 7.335 1.00 0.00 H new ATOM 0 HA SER A 22 -1.999 8.076 7.789 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.865 7.412 9.769 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.588 9.080 10.230 1.00 0.00 H new ATOM 0 HG SER A 22 -5.052 8.037 9.172 1.00 0.00 H new ATOM 313 N LYS A 23 -3.924 9.322 6.061 1.00 0.00 N ATOM 314 CA LYS A 23 -5.009 9.279 5.095 1.00 0.00 C ATOM 315 C LYS A 23 -5.015 7.915 4.402 1.00 0.00 C ATOM 316 O LYS A 23 -4.512 7.778 3.288 1.00 0.00 O ATOM 317 CB LYS A 23 -4.912 10.460 4.127 1.00 0.00 C ATOM 318 CG LYS A 23 -5.156 11.785 4.853 1.00 0.00 C ATOM 319 CD LYS A 23 -5.606 12.871 3.874 1.00 0.00 C ATOM 320 CE LYS A 23 -5.910 14.179 4.607 1.00 0.00 C ATOM 321 NZ LYS A 23 -7.045 13.998 5.540 1.00 0.00 N ATOM 0 H LYS A 23 -3.138 9.915 5.794 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.970 9.386 5.597 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.927 10.473 3.661 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.642 10.340 3.327 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.915 11.647 5.623 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.243 12.101 5.358 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.828 13.040 3.130 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.494 12.536 3.337 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.028 14.508 5.157 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.146 14.961 3.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.424 14.928 5.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.791 13.441 5.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.718 13.497 6.391 1.00 0.00 H new ATOM 334 N LYS A 24 -5.589 6.939 5.091 1.00 0.00 N ATOM 335 CA LYS A 24 -5.667 5.591 4.556 1.00 0.00 C ATOM 336 C LYS A 24 -4.301 4.915 4.687 1.00 0.00 C ATOM 337 O LYS A 24 -4.073 3.851 4.114 1.00 0.00 O ATOM 338 CB LYS A 24 -6.207 5.613 3.125 1.00 0.00 C ATOM 339 CG LYS A 24 -7.440 6.513 3.018 1.00 0.00 C ATOM 340 CD LYS A 24 -7.264 7.554 1.911 1.00 0.00 C ATOM 341 CE LYS A 24 -8.079 8.814 2.208 1.00 0.00 C ATOM 342 NZ LYS A 24 -7.353 10.021 1.754 1.00 0.00 N ATOM 0 H LYS A 24 -6.004 7.056 6.015 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.375 4.994 5.130 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.432 5.969 2.446 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.463 4.600 2.814 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.322 5.905 2.814 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.612 7.015 3.970 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.210 7.813 1.815 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.577 7.131 0.956 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.046 8.755 1.708 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.277 8.882 3.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.457 10.776 2.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.345 9.795 1.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.746 10.342 0.846 1.00 0.00 H new ATOM 355 N GLU A 25 -3.427 5.561 5.445 1.00 0.00 N ATOM 356 CA GLU A 25 -2.089 5.035 5.659 1.00 0.00 C ATOM 357 C GLU A 25 -2.152 3.546 6.002 1.00 0.00 C ATOM 358 O GLU A 25 -2.202 2.701 5.109 1.00 0.00 O ATOM 359 CB GLU A 25 -1.361 5.819 6.753 1.00 0.00 C ATOM 360 CG GLU A 25 -0.004 5.186 7.069 1.00 0.00 C ATOM 361 CD GLU A 25 0.908 6.178 7.794 1.00 0.00 C ATOM 362 OE1 GLU A 25 0.932 7.368 7.445 1.00 0.00 O ATOM 363 OE2 GLU A 25 1.608 5.674 8.754 1.00 0.00 O ATOM 0 H GLU A 25 -3.619 6.444 5.919 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.522 5.151 4.735 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.219 6.851 6.433 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.973 5.846 7.655 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.147 4.300 7.687 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.472 4.857 6.145 1.00 0.00 H new ATOM 371 N ILE A 26 -2.149 3.268 7.297 1.00 0.00 N ATOM 372 CA ILE A 26 -2.205 1.895 7.769 1.00 0.00 C ATOM 373 C ILE A 26 -3.402 1.189 7.128 1.00 0.00 C ATOM 374 O ILE A 26 -3.354 -0.014 6.874 1.00 0.00 O ATOM 375 CB ILE A 26 -2.214 1.854 9.298 1.00 0.00 C ATOM 376 CG1 ILE A 26 -1.006 2.595 9.874 1.00 0.00 C ATOM 377 CG2 ILE A 26 -2.300 0.414 9.807 1.00 0.00 C ATOM 378 CD1 ILE A 26 -1.438 3.878 10.586 1.00 0.00 C ATOM 0 H ILE A 26 -2.109 3.971 8.035 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.311 1.350 7.464 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.106 2.373 9.648 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.477 1.947 10.573 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.308 2.837 9.073 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.305 0.413 10.897 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.217 -0.048 9.440 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.440 -0.151 9.447 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.560 4.385 10.986 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.945 4.534 9.878 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.117 3.630 11.402 1.00 0.00 H new ATOM 390 N GLY A 27 -4.446 1.967 6.884 1.00 0.00 N ATOM 391 CA GLY A 27 -5.653 1.431 6.277 1.00 0.00 C ATOM 392 C GLY A 27 -5.327 0.665 4.993 1.00 0.00 C ATOM 393 O GLY A 27 -5.485 -0.554 4.936 1.00 0.00 O ATOM 0 H GLY A 27 -4.481 2.964 7.095 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.156 0.769 6.982 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.344 2.244 6.054 1.00 0.00 H new ATOM 397 N ALA A 28 -4.880 1.412 3.994 1.00 0.00 N ATOM 398 CA ALA A 28 -4.531 0.818 2.715 1.00 0.00 C ATOM 399 C ALA A 28 -3.644 -0.407 2.950 1.00 0.00 C ATOM 400 O ALA A 28 -3.881 -1.468 2.376 1.00 0.00 O ATOM 401 CB ALA A 28 -3.852 1.868 1.833 1.00 0.00 C ATOM 0 H ALA A 28 -4.752 2.423 4.045 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.426 0.481 2.192 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.590 1.423 0.873 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.533 2.703 1.671 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.948 2.227 2.325 1.00 0.00 H new ATOM 407 N MET A 29 -2.642 -0.218 3.796 1.00 0.00 N ATOM 408 CA MET A 29 -1.719 -1.294 4.114 1.00 0.00 C ATOM 409 C MET A 29 -2.464 -2.618 4.301 1.00 0.00 C ATOM 410 O MET A 29 -2.128 -3.618 3.668 1.00 0.00 O ATOM 411 CB MET A 29 -0.958 -0.952 5.396 1.00 0.00 C ATOM 412 CG MET A 29 -0.732 -2.201 6.250 1.00 0.00 C ATOM 413 SD MET A 29 -1.927 -2.259 7.575 1.00 0.00 S ATOM 414 CE MET A 29 -0.835 -2.495 8.967 1.00 0.00 C ATOM 0 H MET A 29 -2.449 0.664 4.271 1.00 0.00 H new ATOM 0 HA MET A 29 -1.020 -1.405 3.285 1.00 0.00 H new ATOM 0 HB2 MET A 29 0.002 -0.501 5.144 1.00 0.00 H new ATOM 0 HB3 MET A 29 -1.517 -0.212 5.969 1.00 0.00 H new ATOM 0 HG2 MET A 29 -0.818 -3.095 5.632 1.00 0.00 H new ATOM 0 HG3 MET A 29 0.278 -2.193 6.660 1.00 0.00 H new ATOM 0 HE1 MET A 29 -1.379 -2.306 9.892 1.00 0.00 H new ATOM 0 HE2 MET A 29 -0.462 -3.519 8.968 1.00 0.00 H new ATOM 0 HE3 MET A 29 0.004 -1.804 8.892 1.00 0.00 H new ATOM 424 N LEU A 30 -3.461 -2.581 5.172 1.00 0.00 N ATOM 425 CA LEU A 30 -4.256 -3.765 5.450 1.00 0.00 C ATOM 426 C LEU A 30 -5.394 -3.860 4.432 1.00 0.00 C ATOM 427 O LEU A 30 -5.557 -4.885 3.771 1.00 0.00 O ATOM 428 CB LEU A 30 -4.731 -3.763 6.904 1.00 0.00 C ATOM 429 CG LEU A 30 -4.277 -4.948 7.760 1.00 0.00 C ATOM 430 CD1 LEU A 30 -2.756 -5.108 7.711 1.00 0.00 C ATOM 431 CD2 LEU A 30 -4.795 -4.819 9.193 1.00 0.00 C ATOM 0 H LEU A 30 -3.737 -1.750 5.695 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.651 -4.665 5.338 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.384 -2.844 7.377 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.821 -3.733 6.909 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.710 -5.857 7.343 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.459 -5.957 8.327 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.441 -5.279 6.682 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.282 -4.202 8.089 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.458 -5.674 9.780 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.412 -3.900 9.637 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.885 -4.791 9.185 1.00 0.00 H new ATOM 443 N SER A 31 -6.153 -2.778 4.337 1.00 0.00 N ATOM 444 CA SER A 31 -7.271 -2.727 3.411 1.00 0.00 C ATOM 445 C SER A 31 -6.764 -2.837 1.972 1.00 0.00 C ATOM 446 O SER A 31 -7.213 -3.697 1.215 1.00 0.00 O ATOM 447 CB SER A 31 -8.078 -1.440 3.592 1.00 0.00 C ATOM 448 OG SER A 31 -9.479 -1.664 3.458 1.00 0.00 O ATOM 0 H SER A 31 -6.015 -1.930 4.886 1.00 0.00 H new ATOM 0 HA SER A 31 -7.929 -3.570 3.623 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.871 -1.018 4.575 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.757 -0.704 2.855 1.00 0.00 H new ATOM 0 HG SER A 31 -9.959 -0.819 3.582 1.00 0.00 H new ATOM 454 N LEU A 32 -5.835 -1.953 1.636 1.00 0.00 N ATOM 455 CA LEU A 32 -5.262 -1.940 0.301 1.00 0.00 C ATOM 456 C LEU A 32 -4.865 -3.364 -0.093 1.00 0.00 C ATOM 457 O LEU A 32 -5.320 -3.880 -1.112 1.00 0.00 O ATOM 458 CB LEU A 32 -4.111 -0.936 0.222 1.00 0.00 C ATOM 459 CG LEU A 32 -4.017 -0.123 -1.071 1.00 0.00 C ATOM 460 CD1 LEU A 32 -4.317 -0.996 -2.291 1.00 0.00 C ATOM 461 CD2 LEU A 32 -4.924 1.108 -1.011 1.00 0.00 C ATOM 0 H LEU A 32 -5.465 -1.241 2.266 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.999 -1.602 -0.427 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.202 -0.242 1.058 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.174 -1.476 0.357 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.993 0.235 -1.175 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.243 -0.394 -3.196 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.597 -1.813 -2.339 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.324 -1.404 -2.208 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.839 1.669 -1.942 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.958 0.792 -0.871 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.623 1.742 -0.177 1.00 0.00 H new ATOM 473 N LEU A 33 -4.019 -3.959 0.737 1.00 0.00 N ATOM 474 CA LEU A 33 -3.555 -5.313 0.488 1.00 0.00 C ATOM 475 C LEU A 33 -4.666 -6.302 0.846 1.00 0.00 C ATOM 476 O LEU A 33 -5.099 -7.088 0.004 1.00 0.00 O ATOM 477 CB LEU A 33 -2.240 -5.573 1.225 1.00 0.00 C ATOM 478 CG LEU A 33 -1.045 -4.724 0.784 1.00 0.00 C ATOM 479 CD1 LEU A 33 -0.214 -5.454 -0.273 1.00 0.00 C ATOM 480 CD2 LEU A 33 -1.501 -3.344 0.303 1.00 0.00 C ATOM 0 H LEU A 33 -3.644 -3.528 1.582 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.333 -5.451 -0.570 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.404 -5.408 2.290 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.979 -6.624 1.102 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.400 -4.567 1.648 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.629 -4.829 -0.569 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.157 -6.392 0.140 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.835 -5.662 -1.144 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.633 -2.761 -0.005 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.179 -3.459 -0.543 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.016 -2.828 1.113 1.00 0.00 H new ATOM 492 N GLN A 34 -5.096 -6.232 2.098 1.00 0.00 N ATOM 493 CA GLN A 34 -6.149 -7.111 2.578 1.00 0.00 C ATOM 494 C GLN A 34 -7.495 -6.707 1.974 1.00 0.00 C ATOM 495 O GLN A 34 -8.543 -7.177 2.415 1.00 0.00 O ATOM 496 CB GLN A 34 -6.210 -7.109 4.107 1.00 0.00 C ATOM 497 CG GLN A 34 -6.564 -8.498 4.643 1.00 0.00 C ATOM 498 CD GLN A 34 -8.066 -8.616 4.909 1.00 0.00 C ATOM 499 OE1 GLN A 34 -8.645 -7.877 5.688 1.00 0.00 O ATOM 500 NE2 GLN A 34 -8.662 -9.585 4.221 1.00 0.00 N ATOM 0 H GLN A 34 -4.734 -5.580 2.794 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.921 -8.128 2.258 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.249 -6.793 4.513 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.952 -6.385 4.444 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -6.257 -9.258 3.924 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -6.012 -8.688 5.563 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -8.118 -10.168 3.585 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -9.663 -9.746 4.329 1.00 0.00 H new ATOM 509 N LYS A 35 -7.423 -5.839 0.976 1.00 0.00 N ATOM 510 CA LYS A 35 -8.623 -5.366 0.307 1.00 0.00 C ATOM 511 C LYS A 35 -8.373 -5.307 -1.201 1.00 0.00 C ATOM 512 O LYS A 35 -9.076 -4.603 -1.923 1.00 0.00 O ATOM 513 CB LYS A 35 -9.082 -4.035 0.907 1.00 0.00 C ATOM 514 CG LYS A 35 -10.609 -3.937 0.921 1.00 0.00 C ATOM 515 CD LYS A 35 -11.197 -4.355 -0.428 1.00 0.00 C ATOM 516 CE LYS A 35 -12.722 -4.458 -0.353 1.00 0.00 C ATOM 517 NZ LYS A 35 -13.290 -4.724 -1.693 1.00 0.00 N ATOM 0 H LYS A 35 -6.552 -5.451 0.614 1.00 0.00 H new ATOM 0 HA LYS A 35 -9.447 -6.062 0.466 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.699 -3.939 1.923 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.666 -3.209 0.330 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -11.011 -4.573 1.710 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -10.909 -2.915 1.152 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.915 -3.630 -1.192 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.778 -5.315 -0.729 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -13.005 -5.256 0.333 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -13.136 -3.532 0.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -14.326 -4.791 -1.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -13.035 -3.949 -2.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.909 -5.619 -2.060 1.00 0.00 H new ATOM 530 N GLU A 36 -7.368 -6.055 -1.631 1.00 0.00 N ATOM 531 CA GLU A 36 -7.015 -6.096 -3.040 1.00 0.00 C ATOM 532 C GLU A 36 -6.740 -7.537 -3.477 1.00 0.00 C ATOM 533 O GLU A 36 -6.320 -7.777 -4.607 1.00 0.00 O ATOM 534 CB GLU A 36 -5.813 -5.196 -3.331 1.00 0.00 C ATOM 535 CG GLU A 36 -6.258 -3.759 -3.610 1.00 0.00 C ATOM 536 CD GLU A 36 -5.094 -2.916 -4.135 1.00 0.00 C ATOM 537 OE1 GLU A 36 -5.271 -1.722 -4.416 1.00 0.00 O ATOM 538 OE2 GLU A 36 -3.974 -3.545 -4.248 1.00 0.00 O ATOM 0 H GLU A 36 -6.787 -6.638 -1.029 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.859 -5.717 -3.617 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.130 -5.210 -2.482 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.264 -5.583 -4.189 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.068 -3.761 -4.339 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.652 -3.313 -2.697 1.00 0.00 H new ATOM 546 N GLY A 37 -6.988 -8.457 -2.557 1.00 0.00 N ATOM 547 CA GLY A 37 -6.772 -9.868 -2.832 1.00 0.00 C ATOM 548 C GLY A 37 -5.282 -10.172 -2.999 1.00 0.00 C ATOM 549 O GLY A 37 -4.911 -11.115 -3.697 1.00 0.00 O ATOM 0 H GLY A 37 -7.336 -8.253 -1.620 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.180 -10.467 -2.018 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -7.309 -10.152 -3.737 1.00 0.00 H new ATOM 553 N LEU A 38 -4.467 -9.356 -2.346 1.00 0.00 N ATOM 554 CA LEU A 38 -3.026 -9.526 -2.413 1.00 0.00 C ATOM 555 C LEU A 38 -2.428 -9.327 -1.019 1.00 0.00 C ATOM 556 O LEU A 38 -1.407 -8.657 -0.867 1.00 0.00 O ATOM 557 CB LEU A 38 -2.426 -8.604 -3.477 1.00 0.00 C ATOM 558 CG LEU A 38 -0.901 -8.617 -3.593 1.00 0.00 C ATOM 559 CD1 LEU A 38 -0.282 -7.444 -2.831 1.00 0.00 C ATOM 560 CD2 LEU A 38 -0.328 -9.961 -3.139 1.00 0.00 C ATOM 0 H LEU A 38 -4.778 -8.575 -1.768 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.776 -10.540 -2.726 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.846 -8.877 -4.445 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.746 -7.583 -3.267 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.638 -8.493 -4.643 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.803 -7.478 -2.930 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.655 -6.506 -3.242 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.552 -7.512 -1.777 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.758 -9.943 -3.232 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.601 -10.140 -2.099 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.732 -10.758 -3.763 1.00 0.00 H new ATOM 572 N LEU A 39 -3.088 -9.921 -0.036 1.00 0.00 N ATOM 573 CA LEU A 39 -2.635 -9.817 1.340 1.00 0.00 C ATOM 574 C LEU A 39 -2.166 -11.191 1.823 1.00 0.00 C ATOM 575 O LEU A 39 -2.850 -12.192 1.617 1.00 0.00 O ATOM 576 CB LEU A 39 -3.723 -9.195 2.218 1.00 0.00 C ATOM 577 CG LEU A 39 -3.346 -8.946 3.680 1.00 0.00 C ATOM 578 CD1 LEU A 39 -3.261 -10.262 4.455 1.00 0.00 C ATOM 579 CD2 LEU A 39 -2.052 -8.137 3.782 1.00 0.00 C ATOM 0 H LEU A 39 -3.934 -10.476 -0.166 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.780 -9.145 1.409 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.021 -8.245 1.774 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.597 -9.846 2.195 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.135 -8.351 4.140 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.992 -10.057 5.491 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.227 -10.766 4.424 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.504 -10.902 4.003 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.807 -7.974 4.831 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.242 -8.685 3.301 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.184 -7.175 3.287 1.00 0.00 H new ATOM 591 N MET A 40 -1.003 -11.194 2.458 1.00 0.00 N ATOM 592 CA MET A 40 -0.434 -12.429 2.972 1.00 0.00 C ATOM 593 C MET A 40 0.306 -12.185 4.288 1.00 0.00 C ATOM 594 O MET A 40 0.437 -13.093 5.108 1.00 0.00 O ATOM 595 CB MET A 40 0.535 -13.013 1.942 1.00 0.00 C ATOM 596 CG MET A 40 0.750 -14.509 2.178 1.00 0.00 C ATOM 597 SD MET A 40 1.959 -15.141 1.027 1.00 0.00 S ATOM 598 CE MET A 40 1.563 -16.880 1.085 1.00 0.00 C ATOM 0 H MET A 40 -0.439 -10.361 2.628 1.00 0.00 H new ATOM 0 HA MET A 40 -1.246 -13.131 3.158 1.00 0.00 H new ATOM 0 HB2 MET A 40 0.144 -12.852 0.937 1.00 0.00 H new ATOM 0 HB3 MET A 40 1.490 -12.491 1.999 1.00 0.00 H new ATOM 0 HG2 MET A 40 1.086 -14.680 3.201 1.00 0.00 H new ATOM 0 HG3 MET A 40 -0.192 -15.044 2.058 1.00 0.00 H new ATOM 0 HE1 MET A 40 2.229 -17.427 0.418 1.00 0.00 H new ATOM 0 HE2 MET A 40 1.687 -17.248 2.104 1.00 0.00 H new ATOM 0 HE3 MET A 40 0.531 -17.029 0.769 1.00 0.00 H new ATOM 608 N SER A 41 0.770 -10.955 4.451 1.00 0.00 N ATOM 609 CA SER A 41 1.493 -10.580 5.654 1.00 0.00 C ATOM 610 C SER A 41 2.361 -9.350 5.381 1.00 0.00 C ATOM 611 O SER A 41 2.638 -9.025 4.228 1.00 0.00 O ATOM 612 CB SER A 41 2.357 -11.738 6.160 1.00 0.00 C ATOM 613 OG SER A 41 3.641 -11.296 6.593 1.00 0.00 O ATOM 0 H SER A 41 0.659 -10.205 3.769 1.00 0.00 H new ATOM 0 HA SER A 41 0.766 -10.338 6.429 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.848 -12.237 6.985 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.476 -12.475 5.366 1.00 0.00 H new ATOM 0 HG SER A 41 4.161 -12.064 6.910 1.00 0.00 H new ATOM 619 N PRO A 42 2.777 -8.683 6.491 1.00 0.00 N ATOM 620 CA PRO A 42 3.608 -7.496 6.383 1.00 0.00 C ATOM 621 C PRO A 42 5.048 -7.865 6.023 1.00 0.00 C ATOM 622 O PRO A 42 5.967 -7.075 6.233 1.00 0.00 O ATOM 623 CB PRO A 42 3.491 -6.809 7.734 1.00 0.00 C ATOM 624 CG PRO A 42 2.978 -7.868 8.696 1.00 0.00 C ATOM 625 CD PRO A 42 2.469 -9.039 7.872 1.00 0.00 C ATOM 0 HA PRO A 42 3.286 -6.829 5.583 1.00 0.00 H new ATOM 0 HB2 PRO A 42 4.456 -6.420 8.059 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.806 -5.962 7.684 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.773 -8.191 9.368 1.00 0.00 H new ATOM 0 HG3 PRO A 42 2.180 -7.464 9.318 1.00 0.00 H new ATOM 0 HD2 PRO A 42 2.960 -9.969 8.160 1.00 0.00 H new ATOM 0 HD3 PRO A 42 1.398 -9.187 8.013 1.00 0.00 H new ATOM 633 N SER A 43 5.201 -9.067 5.486 1.00 0.00 N ATOM 634 CA SER A 43 6.513 -9.551 5.095 1.00 0.00 C ATOM 635 C SER A 43 6.977 -8.838 3.824 1.00 0.00 C ATOM 636 O SER A 43 8.165 -8.836 3.507 1.00 0.00 O ATOM 637 CB SER A 43 6.500 -11.066 4.879 1.00 0.00 C ATOM 638 OG SER A 43 6.671 -11.781 6.100 1.00 0.00 O ATOM 0 H SER A 43 4.437 -9.720 5.313 1.00 0.00 H new ATOM 0 HA SER A 43 7.212 -9.332 5.902 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.557 -11.358 4.417 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.294 -11.340 4.184 1.00 0.00 H new ATOM 0 HG SER A 43 7.227 -11.255 6.712 1.00 0.00 H new ATOM 644 N ASP A 44 6.014 -8.248 3.130 1.00 0.00 N ATOM 645 CA ASP A 44 6.309 -7.533 1.900 1.00 0.00 C ATOM 646 C ASP A 44 7.602 -6.733 2.077 1.00 0.00 C ATOM 647 O ASP A 44 8.321 -6.487 1.110 1.00 0.00 O ATOM 648 CB ASP A 44 5.189 -6.550 1.553 1.00 0.00 C ATOM 649 CG ASP A 44 5.100 -6.167 0.075 1.00 0.00 C ATOM 650 OD1 ASP A 44 4.201 -6.621 -0.649 1.00 0.00 O ATOM 651 OD2 ASP A 44 6.016 -5.357 -0.335 1.00 0.00 O ATOM 0 H ASP A 44 5.029 -8.251 3.396 1.00 0.00 H new ATOM 0 HA ASP A 44 6.407 -8.266 1.099 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.237 -6.985 1.858 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.328 -5.642 2.140 1.00 0.00 H new ATOM 657 N LEU A 45 7.858 -6.351 3.320 1.00 0.00 N ATOM 658 CA LEU A 45 9.051 -5.585 3.636 1.00 0.00 C ATOM 659 C LEU A 45 10.254 -6.528 3.707 1.00 0.00 C ATOM 660 O LEU A 45 11.368 -6.146 3.351 1.00 0.00 O ATOM 661 CB LEU A 45 8.838 -4.763 4.909 1.00 0.00 C ATOM 662 CG LEU A 45 10.107 -4.318 5.640 1.00 0.00 C ATOM 663 CD1 LEU A 45 9.872 -3.012 6.400 1.00 0.00 C ATOM 664 CD2 LEU A 45 10.630 -5.427 6.554 1.00 0.00 C ATOM 0 H LEU A 45 7.259 -6.558 4.120 1.00 0.00 H new ATOM 0 HA LEU A 45 9.259 -4.862 2.848 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.260 -3.875 4.652 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.232 -5.349 5.599 1.00 0.00 H new ATOM 0 HG LEU A 45 10.879 -4.123 4.896 1.00 0.00 H new ATOM 0 HD11 LEU A 45 10.789 -2.718 6.911 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.581 -2.230 5.699 1.00 0.00 H new ATOM 0 HD13 LEU A 45 9.079 -3.156 7.133 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.532 -5.085 7.061 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.870 -5.677 7.294 1.00 0.00 H new ATOM 0 HD23 LEU A 45 10.861 -6.310 5.959 1.00 0.00 H new ATOM 676 N TYR A 46 9.987 -7.741 4.168 1.00 0.00 N ATOM 677 CA TYR A 46 11.034 -8.742 4.289 1.00 0.00 C ATOM 678 C TYR A 46 11.722 -8.982 2.944 1.00 0.00 C ATOM 679 O TYR A 46 12.778 -9.609 2.886 1.00 0.00 O ATOM 680 CB TYR A 46 10.336 -10.030 4.729 1.00 0.00 C ATOM 681 CG TYR A 46 9.889 -10.028 6.193 1.00 0.00 C ATOM 682 CD1 TYR A 46 10.378 -9.073 7.062 1.00 0.00 C ATOM 683 CD2 TYR A 46 8.998 -10.980 6.643 1.00 0.00 C ATOM 684 CE1 TYR A 46 9.957 -9.071 8.439 1.00 0.00 C ATOM 685 CE2 TYR A 46 8.577 -10.977 8.021 1.00 0.00 C ATOM 686 CZ TYR A 46 9.077 -10.023 8.850 1.00 0.00 C ATOM 687 OH TYR A 46 8.680 -10.020 10.151 1.00 0.00 O ATOM 0 H TYR A 46 9.062 -8.053 4.462 1.00 0.00 H new ATOM 0 HA TYR A 46 11.796 -8.417 4.997 1.00 0.00 H new ATOM 0 HB2 TYR A 46 9.465 -10.194 4.094 1.00 0.00 H new ATOM 0 HB3 TYR A 46 11.011 -10.870 4.567 1.00 0.00 H new ATOM 0 HD1 TYR A 46 11.076 -8.328 6.709 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.616 -11.727 5.963 1.00 0.00 H new ATOM 0 HE1 TYR A 46 10.332 -8.330 9.130 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.880 -11.716 8.387 1.00 0.00 H new ATOM 0 HH TYR A 46 8.050 -10.755 10.302 1.00 0.00 H new ATOM 697 N SER A 47 11.095 -8.470 1.895 1.00 0.00 N ATOM 698 CA SER A 47 11.633 -8.621 0.554 1.00 0.00 C ATOM 699 C SER A 47 11.304 -7.384 -0.284 1.00 0.00 C ATOM 700 O SER A 47 10.142 -6.997 -0.396 1.00 0.00 O ATOM 701 CB SER A 47 11.087 -9.880 -0.120 1.00 0.00 C ATOM 702 OG SER A 47 11.788 -10.190 -1.322 1.00 0.00 O ATOM 0 H SER A 47 10.219 -7.950 1.947 1.00 0.00 H new ATOM 0 HA SER A 47 12.716 -8.723 0.629 1.00 0.00 H new ATOM 0 HB2 SER A 47 11.160 -10.721 0.569 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.029 -9.742 -0.343 1.00 0.00 H new ATOM 0 HG SER A 47 11.410 -11.001 -1.721 1.00 0.00 H new ATOM 708 N PRO A 48 12.375 -6.783 -0.867 1.00 0.00 N ATOM 709 CA PRO A 48 12.211 -5.598 -1.692 1.00 0.00 C ATOM 710 C PRO A 48 11.626 -5.958 -3.059 1.00 0.00 C ATOM 711 O PRO A 48 12.070 -6.912 -3.697 1.00 0.00 O ATOM 712 CB PRO A 48 13.600 -4.987 -1.783 1.00 0.00 C ATOM 713 CG PRO A 48 14.569 -6.093 -1.399 1.00 0.00 C ATOM 714 CD PRO A 48 13.766 -7.213 -0.757 1.00 0.00 C ATOM 0 HA PRO A 48 11.503 -4.885 -1.268 1.00 0.00 H new ATOM 0 HB2 PRO A 48 13.802 -4.624 -2.791 1.00 0.00 H new ATOM 0 HB3 PRO A 48 13.696 -4.134 -1.112 1.00 0.00 H new ATOM 0 HG2 PRO A 48 15.099 -6.459 -2.278 1.00 0.00 H new ATOM 0 HG3 PRO A 48 15.322 -5.717 -0.706 1.00 0.00 H new ATOM 0 HD2 PRO A 48 13.929 -8.161 -1.270 1.00 0.00 H new ATOM 0 HD3 PRO A 48 14.054 -7.360 0.284 1.00 0.00 H new ATOM 722 N GLY A 49 10.638 -5.176 -3.469 1.00 0.00 N ATOM 723 CA GLY A 49 9.987 -5.401 -4.749 1.00 0.00 C ATOM 724 C GLY A 49 8.830 -6.392 -4.609 1.00 0.00 C ATOM 725 O GLY A 49 8.754 -7.372 -5.349 1.00 0.00 O ATOM 0 H GLY A 49 10.272 -4.386 -2.938 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.615 -4.455 -5.143 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.712 -5.782 -5.468 1.00 0.00 H new ATOM 729 N SER A 50 7.958 -6.103 -3.654 1.00 0.00 N ATOM 730 CA SER A 50 6.808 -6.957 -3.408 1.00 0.00 C ATOM 731 C SER A 50 5.520 -6.134 -3.482 1.00 0.00 C ATOM 732 O SER A 50 4.467 -6.581 -3.029 1.00 0.00 O ATOM 733 CB SER A 50 6.918 -7.650 -2.048 1.00 0.00 C ATOM 734 OG SER A 50 7.186 -9.044 -2.180 1.00 0.00 O ATOM 0 H SER A 50 8.025 -5.290 -3.042 1.00 0.00 H new ATOM 0 HA SER A 50 6.783 -7.728 -4.178 1.00 0.00 H new ATOM 0 HB2 SER A 50 7.711 -7.182 -1.465 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.990 -7.510 -1.493 1.00 0.00 H new ATOM 0 HG SER A 50 7.251 -9.450 -1.291 1.00 0.00 H new ATOM 740 N TRP A 51 5.646 -4.947 -4.056 1.00 0.00 N ATOM 741 CA TRP A 51 4.506 -4.058 -4.195 1.00 0.00 C ATOM 742 C TRP A 51 3.931 -4.242 -5.601 1.00 0.00 C ATOM 743 O TRP A 51 2.940 -3.608 -5.958 1.00 0.00 O ATOM 744 CB TRP A 51 4.899 -2.610 -3.894 1.00 0.00 C ATOM 745 CG TRP A 51 5.007 -2.292 -2.401 1.00 0.00 C ATOM 746 CD1 TRP A 51 5.928 -2.727 -1.530 1.00 0.00 C ATOM 747 CD2 TRP A 51 4.122 -1.448 -1.636 1.00 0.00 C ATOM 748 NE1 TRP A 51 5.702 -2.227 -0.264 1.00 0.00 N ATOM 749 CE2 TRP A 51 4.569 -1.424 -0.330 1.00 0.00 C ATOM 750 CE3 TRP A 51 2.982 -0.728 -2.033 1.00 0.00 C ATOM 751 CZ2 TRP A 51 3.935 -0.696 0.684 1.00 0.00 C ATOM 752 CZ3 TRP A 51 2.360 -0.005 -1.008 1.00 0.00 C ATOM 753 CH2 TRP A 51 2.797 0.029 0.311 1.00 0.00 C ATOM 0 H TRP A 51 6.521 -4.580 -4.430 1.00 0.00 H new ATOM 0 HA TRP A 51 3.733 -4.306 -3.468 1.00 0.00 H new ATOM 0 HB2 TRP A 51 5.856 -2.398 -4.370 1.00 0.00 H new ATOM 0 HB3 TRP A 51 4.164 -1.944 -4.345 1.00 0.00 H new ATOM 0 HD1 TRP A 51 6.744 -3.386 -1.787 1.00 0.00 H new ATOM 0 HE1 TRP A 51 6.263 -2.412 0.567 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.615 -0.732 -3.049 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.304 -0.694 1.699 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 1.479 0.566 -1.260 1.00 0.00 H new ATOM 0 HH2 TRP A 51 2.261 0.612 1.045 1.00 0.00 H new ATOM 764 N ASP A 52 4.580 -5.112 -6.361 1.00 0.00 N ATOM 765 CA ASP A 52 4.146 -5.387 -7.721 1.00 0.00 C ATOM 766 C ASP A 52 2.931 -6.317 -7.686 1.00 0.00 C ATOM 767 O ASP A 52 2.181 -6.400 -8.656 1.00 0.00 O ATOM 768 CB ASP A 52 5.250 -6.081 -8.521 1.00 0.00 C ATOM 769 CG ASP A 52 5.336 -5.671 -9.993 1.00 0.00 C ATOM 770 OD1 ASP A 52 5.238 -6.514 -10.897 1.00 0.00 O ATOM 771 OD2 ASP A 52 5.515 -4.410 -10.198 1.00 0.00 O ATOM 0 H ASP A 52 5.403 -5.636 -6.061 1.00 0.00 H new ATOM 0 HA ASP A 52 3.900 -4.437 -8.195 1.00 0.00 H new ATOM 0 HB2 ASP A 52 6.208 -5.874 -8.045 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.094 -7.158 -8.468 1.00 0.00 H new ATOM 777 N PRO A 53 2.772 -7.011 -6.527 1.00 0.00 N ATOM 778 CA PRO A 53 1.662 -7.931 -6.353 1.00 0.00 C ATOM 779 C PRO A 53 0.353 -7.174 -6.120 1.00 0.00 C ATOM 780 O PRO A 53 -0.684 -7.534 -6.675 1.00 0.00 O ATOM 781 CB PRO A 53 2.058 -8.808 -5.176 1.00 0.00 C ATOM 782 CG PRO A 53 3.155 -8.052 -4.444 1.00 0.00 C ATOM 783 CD PRO A 53 3.641 -6.937 -5.356 1.00 0.00 C ATOM 0 HA PRO A 53 1.476 -8.537 -7.240 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.206 -8.991 -4.521 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.414 -9.781 -5.516 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.777 -7.642 -3.508 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.976 -8.722 -4.189 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.566 -5.965 -4.868 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.687 -7.077 -5.629 1.00 0.00 H new ATOM 791 N ILE A 54 0.443 -6.139 -5.297 1.00 0.00 N ATOM 792 CA ILE A 54 -0.721 -5.328 -4.984 1.00 0.00 C ATOM 793 C ILE A 54 -1.070 -4.457 -6.192 1.00 0.00 C ATOM 794 O ILE A 54 -2.199 -3.985 -6.316 1.00 0.00 O ATOM 795 CB ILE A 54 -0.489 -4.532 -3.698 1.00 0.00 C ATOM 796 CG1 ILE A 54 -1.768 -4.452 -2.864 1.00 0.00 C ATOM 797 CG2 ILE A 54 0.081 -3.146 -4.007 1.00 0.00 C ATOM 798 CD1 ILE A 54 -2.125 -2.999 -2.543 1.00 0.00 C ATOM 0 H ILE A 54 1.304 -5.844 -4.838 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.586 -5.962 -4.787 1.00 0.00 H new ATOM 0 HB ILE A 54 0.253 -5.060 -3.099 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.589 -4.921 -3.406 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.638 -5.011 -1.937 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.237 -2.601 -3.076 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.032 -3.252 -4.529 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.619 -2.597 -4.636 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.039 -2.971 -1.949 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.312 -2.541 -1.980 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.279 -2.449 -3.471 1.00 0.00 H new ATOM 810 N THR A 55 -0.080 -4.271 -7.053 1.00 0.00 N ATOM 811 CA THR A 55 -0.269 -3.465 -8.247 1.00 0.00 C ATOM 812 C THR A 55 -1.266 -4.137 -9.193 1.00 0.00 C ATOM 813 O THR A 55 -2.210 -3.502 -9.661 1.00 0.00 O ATOM 814 CB THR A 55 1.104 -3.229 -8.880 1.00 0.00 C ATOM 815 OG1 THR A 55 1.624 -2.106 -8.173 1.00 0.00 O ATOM 816 CG2 THR A 55 1.005 -2.743 -10.328 1.00 0.00 C ATOM 0 H THR A 55 0.855 -4.665 -6.947 1.00 0.00 H new ATOM 0 HA THR A 55 -0.703 -2.495 -8.004 1.00 0.00 H new ATOM 0 HB THR A 55 1.683 -4.152 -8.845 1.00 0.00 H new ATOM 0 HG1 THR A 55 2.476 -2.349 -7.753 1.00 0.00 H new ATOM 0 HG21 THR A 55 2.007 -2.591 -10.730 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.483 -3.489 -10.927 1.00 0.00 H new ATOM 0 HG23 THR A 55 0.455 -1.803 -10.359 1.00 0.00 H new ATOM 824 N ALA A 56 -1.024 -5.415 -9.445 1.00 0.00 N ATOM 825 CA ALA A 56 -1.889 -6.181 -10.326 1.00 0.00 C ATOM 826 C ALA A 56 -3.197 -6.500 -9.599 1.00 0.00 C ATOM 827 O ALA A 56 -4.174 -6.912 -10.223 1.00 0.00 O ATOM 828 CB ALA A 56 -1.158 -7.443 -10.790 1.00 0.00 C ATOM 0 H ALA A 56 -0.241 -5.939 -9.054 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.138 -5.603 -11.216 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.807 -8.017 -11.451 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.252 -7.162 -11.326 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.894 -8.050 -9.924 1.00 0.00 H new ATOM 834 N ALA A 57 -3.173 -6.297 -8.290 1.00 0.00 N ATOM 835 CA ALA A 57 -4.345 -6.558 -7.471 1.00 0.00 C ATOM 836 C ALA A 57 -5.461 -5.587 -7.861 1.00 0.00 C ATOM 837 O ALA A 57 -6.442 -5.983 -8.488 1.00 0.00 O ATOM 838 CB ALA A 57 -3.969 -6.450 -5.992 1.00 0.00 C ATOM 0 H ALA A 57 -2.361 -5.955 -7.776 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.714 -7.570 -7.641 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.848 -6.646 -5.378 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.194 -7.180 -5.759 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.597 -5.447 -5.784 1.00 0.00 H new ATOM 844 N LEU A 58 -5.273 -4.334 -7.474 1.00 0.00 N ATOM 845 CA LEU A 58 -6.252 -3.303 -7.776 1.00 0.00 C ATOM 846 C LEU A 58 -6.565 -3.325 -9.273 1.00 0.00 C ATOM 847 O LEU A 58 -7.713 -3.138 -9.674 1.00 0.00 O ATOM 848 CB LEU A 58 -5.770 -1.942 -7.268 1.00 0.00 C ATOM 849 CG LEU A 58 -4.556 -1.350 -7.986 1.00 0.00 C ATOM 850 CD1 LEU A 58 -3.323 -2.236 -7.798 1.00 0.00 C ATOM 851 CD2 LEU A 58 -4.861 -1.098 -9.464 1.00 0.00 C ATOM 0 H LEU A 58 -4.458 -4.009 -6.954 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.187 -3.500 -7.252 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.595 -1.234 -7.347 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.531 -2.036 -6.209 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.330 -0.384 -7.535 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.474 -1.793 -8.318 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.094 -2.320 -6.736 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.521 -3.227 -8.206 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.981 -0.677 -9.950 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.127 -2.039 -9.946 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.692 -0.398 -9.550 1.00 0.00 H new ATOM 863 N SER A 59 -5.523 -3.555 -10.059 1.00 0.00 N ATOM 864 CA SER A 59 -5.673 -3.604 -11.504 1.00 0.00 C ATOM 865 C SER A 59 -6.679 -4.691 -11.889 1.00 0.00 C ATOM 866 O SER A 59 -7.451 -4.520 -12.831 1.00 0.00 O ATOM 867 CB SER A 59 -4.328 -3.858 -12.188 1.00 0.00 C ATOM 868 OG SER A 59 -4.341 -3.458 -13.556 1.00 0.00 O ATOM 0 H SER A 59 -4.572 -3.709 -9.723 1.00 0.00 H new ATOM 0 HA SER A 59 -6.046 -2.637 -11.843 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.544 -3.316 -11.659 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.082 -4.918 -12.122 1.00 0.00 H new ATOM 0 HG SER A 59 -3.464 -3.635 -13.957 1.00 0.00 H new ATOM 874 N GLN A 60 -6.636 -5.783 -11.141 1.00 0.00 N ATOM 875 CA GLN A 60 -7.535 -6.898 -11.393 1.00 0.00 C ATOM 876 C GLN A 60 -8.976 -6.502 -11.067 1.00 0.00 C ATOM 877 O GLN A 60 -9.919 -7.091 -11.591 1.00 0.00 O ATOM 878 CB GLN A 60 -7.112 -8.133 -10.596 1.00 0.00 C ATOM 879 CG GLN A 60 -8.307 -9.051 -10.333 1.00 0.00 C ATOM 880 CD GLN A 60 -8.919 -9.545 -11.646 1.00 0.00 C ATOM 881 OE1 GLN A 60 -8.282 -9.573 -12.686 1.00 0.00 O ATOM 882 NE2 GLN A 60 -10.188 -9.930 -11.540 1.00 0.00 N ATOM 0 H GLN A 60 -5.994 -5.920 -10.361 1.00 0.00 H new ATOM 0 HA GLN A 60 -7.480 -7.152 -12.451 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -6.344 -8.678 -11.144 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -6.670 -7.825 -9.648 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -7.990 -9.903 -9.732 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -9.061 -8.516 -9.755 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -10.662 -9.881 -10.638 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -10.687 -10.275 -12.360 1.00 0.00 H new ATOM 891 N ARG A 61 -9.101 -5.506 -10.202 1.00 0.00 N ATOM 892 CA ARG A 61 -10.411 -5.024 -9.799 1.00 0.00 C ATOM 893 C ARG A 61 -10.293 -3.644 -9.149 1.00 0.00 C ATOM 894 O ARG A 61 -10.554 -3.492 -7.957 1.00 0.00 O ATOM 895 CB ARG A 61 -11.074 -5.989 -8.815 1.00 0.00 C ATOM 896 CG ARG A 61 -12.548 -6.204 -9.165 1.00 0.00 C ATOM 897 CD ARG A 61 -12.878 -7.695 -9.259 1.00 0.00 C ATOM 898 NE ARG A 61 -14.188 -7.964 -8.627 1.00 0.00 N ATOM 899 CZ ARG A 61 -14.976 -9.016 -8.936 1.00 0.00 C ATOM 900 NH1 ARG A 61 -14.591 -9.908 -9.874 1.00 0.00 N ATOM 901 NH2 ARG A 61 -16.128 -9.160 -8.308 1.00 0.00 N ATOM 0 H ARG A 61 -8.316 -5.020 -9.769 1.00 0.00 H new ATOM 0 HA ARG A 61 -11.028 -4.955 -10.695 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -10.550 -6.945 -8.829 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -10.991 -5.595 -7.802 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -13.177 -5.736 -8.408 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.775 -5.717 -10.114 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.898 -8.006 -10.303 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -12.101 -8.280 -8.767 1.00 0.00 H new ATOM 0 HE ARG A 61 -14.517 -7.314 -7.913 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -13.699 -9.790 -10.355 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -15.192 -10.700 -10.102 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -16.412 -8.482 -7.601 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -16.735 -9.949 -8.530 1.00 0.00 H new ATOM 914 N ALA A 62 -9.900 -2.674 -9.962 1.00 0.00 N ATOM 915 CA ALA A 62 -9.744 -1.312 -9.480 1.00 0.00 C ATOM 916 C ALA A 62 -11.125 -0.697 -9.247 1.00 0.00 C ATOM 917 O ALA A 62 -11.248 0.323 -8.570 1.00 0.00 O ATOM 918 CB ALA A 62 -8.910 -0.509 -10.481 1.00 0.00 C ATOM 0 H ALA A 62 -9.685 -2.804 -10.951 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.213 -1.300 -8.528 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.793 0.513 -10.120 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.928 -0.970 -10.590 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.414 -0.497 -11.447 1.00 0.00 H new ATOM 924 N MET A 63 -12.130 -1.343 -9.820 1.00 0.00 N ATOM 925 CA MET A 63 -13.498 -0.872 -9.683 1.00 0.00 C ATOM 926 C MET A 63 -14.101 -1.321 -8.350 1.00 0.00 C ATOM 927 O MET A 63 -15.118 -0.785 -7.913 1.00 0.00 O ATOM 928 CB MET A 63 -14.344 -1.417 -10.836 1.00 0.00 C ATOM 929 CG MET A 63 -13.807 -0.934 -12.185 1.00 0.00 C ATOM 930 SD MET A 63 -13.152 -2.313 -13.109 1.00 0.00 S ATOM 931 CE MET A 63 -13.777 -1.922 -14.735 1.00 0.00 C ATOM 0 H MET A 63 -12.024 -2.189 -10.380 1.00 0.00 H new ATOM 0 HA MET A 63 -13.492 0.218 -9.709 1.00 0.00 H new ATOM 0 HB2 MET A 63 -14.343 -2.507 -10.809 1.00 0.00 H new ATOM 0 HB3 MET A 63 -15.379 -1.096 -10.716 1.00 0.00 H new ATOM 0 HG2 MET A 63 -14.604 -0.451 -12.751 1.00 0.00 H new ATOM 0 HG3 MET A 63 -13.029 -0.187 -12.030 1.00 0.00 H new ATOM 0 HE1 MET A 63 -13.458 -2.688 -15.441 1.00 0.00 H new ATOM 0 HE2 MET A 63 -14.866 -1.885 -14.707 1.00 0.00 H new ATOM 0 HE3 MET A 63 -13.389 -0.953 -15.051 1.00 0.00 H new ATOM 941 N ILE A 64 -13.448 -2.301 -7.742 1.00 0.00 N ATOM 942 CA ILE A 64 -13.908 -2.828 -6.468 1.00 0.00 C ATOM 943 C ILE A 64 -12.700 -3.266 -5.637 1.00 0.00 C ATOM 944 O ILE A 64 -12.536 -4.451 -5.350 1.00 0.00 O ATOM 945 CB ILE A 64 -14.938 -3.937 -6.688 1.00 0.00 C ATOM 946 CG1 ILE A 64 -16.098 -3.445 -7.555 1.00 0.00 C ATOM 947 CG2 ILE A 64 -15.422 -4.508 -5.353 1.00 0.00 C ATOM 948 CD1 ILE A 64 -15.722 -3.468 -9.038 1.00 0.00 C ATOM 0 H ILE A 64 -12.605 -2.744 -8.108 1.00 0.00 H new ATOM 0 HA ILE A 64 -14.424 -2.055 -5.899 1.00 0.00 H new ATOM 0 HB ILE A 64 -14.454 -4.750 -7.230 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -16.973 -4.073 -7.388 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -16.372 -2.432 -7.261 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -16.154 -5.295 -5.538 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -14.575 -4.921 -4.806 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -15.883 -3.715 -4.764 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -16.564 -3.114 -9.632 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -14.862 -2.820 -9.205 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -15.472 -4.487 -9.334 1.00 0.00 H new ATOM 960 N LEU A 65 -11.886 -2.286 -5.273 1.00 0.00 N ATOM 961 CA LEU A 65 -10.698 -2.555 -4.481 1.00 0.00 C ATOM 962 C LEU A 65 -10.944 -2.118 -3.036 1.00 0.00 C ATOM 963 O LEU A 65 -12.064 -2.214 -2.537 1.00 0.00 O ATOM 964 CB LEU A 65 -9.469 -1.905 -5.119 1.00 0.00 C ATOM 965 CG LEU A 65 -9.247 -0.426 -4.794 1.00 0.00 C ATOM 966 CD1 LEU A 65 -7.770 -0.141 -4.519 1.00 0.00 C ATOM 967 CD2 LEU A 65 -9.808 0.469 -5.901 1.00 0.00 C ATOM 0 H LEU A 65 -12.026 -1.304 -5.512 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.489 -3.625 -4.460 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.585 -2.462 -4.807 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.547 -2.011 -6.201 1.00 0.00 H new ATOM 0 HG LEU A 65 -9.795 -0.191 -3.882 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.640 0.917 -4.291 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.436 -0.739 -3.671 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.180 -0.398 -5.399 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.637 1.515 -5.645 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.309 0.240 -6.842 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.878 0.291 -6.005 1.00 0.00 H new ATOM 979 N GLY A 66 -9.879 -1.648 -2.404 1.00 0.00 N ATOM 980 CA GLY A 66 -9.966 -1.196 -1.026 1.00 0.00 C ATOM 981 C GLY A 66 -11.161 -0.261 -0.829 1.00 0.00 C ATOM 982 O GLY A 66 -11.943 -0.435 0.104 1.00 0.00 O ATOM 0 H GLY A 66 -8.951 -1.570 -2.821 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -10.060 -2.056 -0.363 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -9.047 -0.680 -0.750 1.00 0.00 H new ATOM 986 N LYS A 67 -11.266 0.710 -1.725 1.00 0.00 N ATOM 987 CA LYS A 67 -12.353 1.672 -1.661 1.00 0.00 C ATOM 988 C LYS A 67 -13.205 1.556 -2.927 1.00 0.00 C ATOM 989 O LYS A 67 -13.258 2.486 -3.731 1.00 0.00 O ATOM 990 CB LYS A 67 -11.809 3.080 -1.413 1.00 0.00 C ATOM 991 CG LYS A 67 -12.163 3.565 -0.006 1.00 0.00 C ATOM 992 CD LYS A 67 -12.353 5.083 0.019 1.00 0.00 C ATOM 993 CE LYS A 67 -13.605 5.466 0.811 1.00 0.00 C ATOM 994 NZ LYS A 67 -13.232 6.070 2.110 1.00 0.00 N ATOM 0 H LYS A 67 -10.616 0.851 -2.499 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.005 1.454 -0.815 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -10.727 3.083 -1.541 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -12.219 3.768 -2.152 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -13.076 3.075 0.332 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.373 3.282 0.690 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.478 5.555 0.465 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -12.434 5.460 -1.001 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -14.206 6.170 0.235 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.222 4.583 0.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -14.093 6.324 2.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.678 5.386 2.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.663 6.924 1.945 1.00 0.00 H new ATOM 1007 N SER A 68 -13.850 0.407 -3.065 1.00 0.00 N ATOM 1008 CA SER A 68 -14.697 0.158 -4.219 1.00 0.00 C ATOM 1009 C SER A 68 -14.088 0.806 -5.464 1.00 0.00 C ATOM 1010 O SER A 68 -13.227 0.217 -6.117 1.00 0.00 O ATOM 1011 CB SER A 68 -16.115 0.684 -3.986 1.00 0.00 C ATOM 1012 OG SER A 68 -16.961 -0.302 -3.402 1.00 0.00 O ATOM 0 H SER A 68 -13.803 -0.362 -2.397 1.00 0.00 H new ATOM 0 HA SER A 68 -14.759 -0.919 -4.371 1.00 0.00 H new ATOM 0 HB2 SER A 68 -16.075 1.558 -3.336 1.00 0.00 H new ATOM 0 HB3 SER A 68 -16.541 1.011 -4.935 1.00 0.00 H new ATOM 0 HG SER A 68 -17.856 0.073 -3.268 1.00 0.00 H new ATOM 1018 N GLY A 69 -14.559 2.009 -5.756 1.00 0.00 N ATOM 1019 CA GLY A 69 -14.072 2.743 -6.912 1.00 0.00 C ATOM 1020 C GLY A 69 -13.297 3.990 -6.482 1.00 0.00 C ATOM 1021 O GLY A 69 -13.768 5.112 -6.665 1.00 0.00 O ATOM 0 H GLY A 69 -15.273 2.494 -5.212 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -13.429 2.099 -7.512 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -14.912 3.032 -7.544 1.00 0.00 H new ATOM 1025 N GLU A 70 -12.121 3.752 -5.919 1.00 0.00 N ATOM 1026 CA GLU A 70 -11.276 4.842 -5.462 1.00 0.00 C ATOM 1027 C GLU A 70 -9.837 4.357 -5.277 1.00 0.00 C ATOM 1028 O GLU A 70 -9.323 4.340 -4.159 1.00 0.00 O ATOM 1029 CB GLU A 70 -11.820 5.452 -4.168 1.00 0.00 C ATOM 1030 CG GLU A 70 -11.680 6.976 -4.179 1.00 0.00 C ATOM 1031 CD GLU A 70 -12.705 7.614 -5.118 1.00 0.00 C ATOM 1032 OE1 GLU A 70 -12.418 7.813 -6.308 1.00 0.00 O ATOM 1033 OE2 GLU A 70 -13.837 7.907 -4.571 1.00 0.00 O ATOM 0 H GLU A 70 -11.734 2.820 -5.769 1.00 0.00 H new ATOM 0 HA GLU A 70 -11.280 5.623 -6.223 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.869 5.180 -4.046 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -11.283 5.040 -3.314 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -11.815 7.364 -3.170 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.673 7.250 -4.494 1.00 0.00 H new ATOM 1041 N LEU A 71 -9.228 3.973 -6.389 1.00 0.00 N ATOM 1042 CA LEU A 71 -7.858 3.489 -6.363 1.00 0.00 C ATOM 1043 C LEU A 71 -6.945 4.583 -5.808 1.00 0.00 C ATOM 1044 O LEU A 71 -5.782 4.329 -5.499 1.00 0.00 O ATOM 1045 CB LEU A 71 -7.443 2.983 -7.746 1.00 0.00 C ATOM 1046 CG LEU A 71 -6.781 1.604 -7.785 1.00 0.00 C ATOM 1047 CD1 LEU A 71 -7.821 0.503 -7.999 1.00 0.00 C ATOM 1048 CD2 LEU A 71 -5.672 1.558 -8.838 1.00 0.00 C ATOM 0 H LEU A 71 -9.658 3.987 -7.314 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.769 2.632 -5.696 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.328 2.957 -8.382 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.756 3.707 -8.185 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.314 1.422 -6.817 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.324 -0.467 -8.023 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.543 0.521 -7.183 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.338 0.669 -8.944 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.218 0.567 -8.845 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.094 1.771 -9.820 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.913 2.303 -8.600 1.00 0.00 H new ATOM 1060 N LYS A 72 -7.506 5.778 -5.698 1.00 0.00 N ATOM 1061 CA LYS A 72 -6.756 6.913 -5.186 1.00 0.00 C ATOM 1062 C LYS A 72 -5.937 6.471 -3.971 1.00 0.00 C ATOM 1063 O LYS A 72 -4.756 6.798 -3.863 1.00 0.00 O ATOM 1064 CB LYS A 72 -7.693 8.089 -4.900 1.00 0.00 C ATOM 1065 CG LYS A 72 -6.906 9.393 -4.754 1.00 0.00 C ATOM 1066 CD LYS A 72 -7.338 10.415 -5.808 1.00 0.00 C ATOM 1067 CE LYS A 72 -6.126 11.139 -6.398 1.00 0.00 C ATOM 1068 NZ LYS A 72 -5.726 10.519 -7.681 1.00 0.00 N ATOM 0 H LYS A 72 -8.471 5.985 -5.955 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.050 7.272 -5.935 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.418 8.186 -5.708 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.257 7.896 -3.987 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.061 9.806 -3.757 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -5.839 9.191 -4.853 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.889 9.912 -6.603 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.017 11.140 -5.360 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.364 12.191 -6.554 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.294 11.101 -5.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.902 11.022 -8.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.479 9.521 -7.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.515 10.577 -8.356 1.00 0.00 H new ATOM 1081 N THR A 73 -6.596 5.734 -3.089 1.00 0.00 N ATOM 1082 CA THR A 73 -5.943 5.244 -1.887 1.00 0.00 C ATOM 1083 C THR A 73 -4.766 4.337 -2.252 1.00 0.00 C ATOM 1084 O THR A 73 -3.678 4.473 -1.695 1.00 0.00 O ATOM 1085 CB THR A 73 -7.000 4.551 -1.025 1.00 0.00 C ATOM 1086 OG1 THR A 73 -8.196 5.280 -1.288 1.00 0.00 O ATOM 1087 CG2 THR A 73 -6.761 4.756 0.472 1.00 0.00 C ATOM 0 H THR A 73 -7.575 5.464 -3.183 1.00 0.00 H new ATOM 0 HA THR A 73 -5.515 6.062 -1.307 1.00 0.00 H new ATOM 0 HB THR A 73 -7.008 3.484 -1.249 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.934 4.896 -0.770 1.00 0.00 H new ATOM 0 HG21 THR A 73 -7.539 4.244 1.038 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.787 4.349 0.744 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.786 5.821 0.702 1.00 0.00 H new ATOM 1095 N TRP A 74 -5.025 3.431 -3.184 1.00 0.00 N ATOM 1096 CA TRP A 74 -4.000 2.502 -3.629 1.00 0.00 C ATOM 1097 C TRP A 74 -2.846 3.317 -4.216 1.00 0.00 C ATOM 1098 O TRP A 74 -1.682 3.057 -3.916 1.00 0.00 O ATOM 1099 CB TRP A 74 -4.575 1.483 -4.615 1.00 0.00 C ATOM 1100 CG TRP A 74 -3.546 0.918 -5.596 1.00 0.00 C ATOM 1101 CD1 TRP A 74 -2.878 -0.241 -5.514 1.00 0.00 C ATOM 1102 CD2 TRP A 74 -3.093 1.537 -6.818 1.00 0.00 C ATOM 1103 NE1 TRP A 74 -2.031 -0.414 -6.589 1.00 0.00 N ATOM 1104 CE2 TRP A 74 -2.165 0.702 -7.408 1.00 0.00 C ATOM 1105 CE3 TRP A 74 -3.454 2.762 -7.406 1.00 0.00 C ATOM 1106 CZ2 TRP A 74 -1.522 1.001 -8.615 1.00 0.00 C ATOM 1107 CZ3 TRP A 74 -2.802 3.046 -8.612 1.00 0.00 C ATOM 1108 CH2 TRP A 74 -1.866 2.216 -9.219 1.00 0.00 C ATOM 0 H TRP A 74 -5.929 3.321 -3.643 1.00 0.00 H new ATOM 0 HA TRP A 74 -3.621 1.915 -2.792 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -5.017 0.660 -4.054 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -5.380 1.953 -5.180 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -2.989 -0.951 -4.707 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -1.419 -1.213 -6.753 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -4.177 3.431 -6.963 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -0.800 0.330 -9.056 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.043 3.976 -9.106 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -1.407 2.507 -10.152 1.00 0.00 H new ATOM 1119 N GLY A 75 -3.209 4.287 -5.043 1.00 0.00 N ATOM 1120 CA GLY A 75 -2.218 5.141 -5.675 1.00 0.00 C ATOM 1121 C GLY A 75 -1.108 5.514 -4.691 1.00 0.00 C ATOM 1122 O GLY A 75 0.075 5.383 -5.005 1.00 0.00 O ATOM 0 H GLY A 75 -4.175 4.500 -5.290 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.788 4.630 -6.536 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.697 6.046 -6.048 1.00 0.00 H new ATOM 1126 N LEU A 76 -1.527 5.971 -3.521 1.00 0.00 N ATOM 1127 CA LEU A 76 -0.583 6.364 -2.488 1.00 0.00 C ATOM 1128 C LEU A 76 0.225 5.141 -2.050 1.00 0.00 C ATOM 1129 O LEU A 76 1.437 5.229 -1.858 1.00 0.00 O ATOM 1130 CB LEU A 76 -1.308 7.066 -1.338 1.00 0.00 C ATOM 1131 CG LEU A 76 -2.350 8.111 -1.741 1.00 0.00 C ATOM 1132 CD1 LEU A 76 -3.721 7.774 -1.152 1.00 0.00 C ATOM 1133 CD2 LEU A 76 -1.892 9.519 -1.355 1.00 0.00 C ATOM 0 H LEU A 76 -2.508 6.078 -3.265 1.00 0.00 H new ATOM 0 HA LEU A 76 0.127 7.093 -2.878 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.800 6.308 -0.728 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.563 7.550 -0.706 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.451 8.091 -2.826 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.443 8.533 -1.454 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.044 6.799 -1.518 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.654 7.749 -0.064 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.651 10.243 -1.653 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.745 9.571 -0.276 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.954 9.748 -1.861 1.00 0.00 H new ATOM 1145 N VAL A 77 -0.478 4.027 -1.905 1.00 0.00 N ATOM 1146 CA VAL A 77 0.159 2.788 -1.494 1.00 0.00 C ATOM 1147 C VAL A 77 1.068 2.289 -2.618 1.00 0.00 C ATOM 1148 O VAL A 77 2.266 2.098 -2.414 1.00 0.00 O ATOM 1149 CB VAL A 77 -0.903 1.765 -1.085 1.00 0.00 C ATOM 1150 CG1 VAL A 77 -1.310 0.892 -2.274 1.00 0.00 C ATOM 1151 CG2 VAL A 77 -0.416 0.907 0.084 1.00 0.00 C ATOM 0 H VAL A 77 -1.483 3.957 -2.065 1.00 0.00 H new ATOM 0 HA VAL A 77 0.787 2.953 -0.618 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.786 2.312 -0.754 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.066 0.174 -1.956 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.718 1.522 -3.065 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.437 0.358 -2.649 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.189 0.188 0.355 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.489 0.374 -0.208 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.200 1.547 0.940 1.00 0.00 H new ATOM 1161 N LEU A 78 0.464 2.092 -3.781 1.00 0.00 N ATOM 1162 CA LEU A 78 1.205 1.619 -4.938 1.00 0.00 C ATOM 1163 C LEU A 78 2.145 2.725 -5.424 1.00 0.00 C ATOM 1164 O LEU A 78 3.358 2.533 -5.478 1.00 0.00 O ATOM 1165 CB LEU A 78 0.246 1.110 -6.016 1.00 0.00 C ATOM 1166 CG LEU A 78 0.733 -0.088 -6.835 1.00 0.00 C ATOM 1167 CD1 LEU A 78 2.011 0.255 -7.602 1.00 0.00 C ATOM 1168 CD2 LEU A 78 0.910 -1.322 -5.948 1.00 0.00 C ATOM 0 H LEU A 78 -0.530 2.251 -3.947 1.00 0.00 H new ATOM 0 HA LEU A 78 1.828 0.766 -4.669 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.696 0.840 -5.538 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.032 1.930 -6.701 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.030 -0.330 -7.575 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.335 -0.613 -8.175 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.816 1.086 -8.280 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.793 0.537 -6.898 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.257 -2.159 -6.554 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.643 -1.109 -5.170 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.044 -1.578 -5.487 1.00 0.00 H new ATOM 1180 N GLY A 79 1.548 3.858 -5.765 1.00 0.00 N ATOM 1181 CA GLY A 79 2.316 4.994 -6.244 1.00 0.00 C ATOM 1182 C GLY A 79 3.633 5.128 -5.477 1.00 0.00 C ATOM 1183 O GLY A 79 4.615 5.645 -6.008 1.00 0.00 O ATOM 0 H GLY A 79 0.541 4.013 -5.719 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.521 4.876 -7.308 1.00 0.00 H new ATOM 0 HA3 GLY A 79 1.731 5.907 -6.131 1.00 0.00 H new ATOM 1187 N ALA A 80 3.612 4.652 -4.241 1.00 0.00 N ATOM 1188 CA ALA A 80 4.792 4.712 -3.395 1.00 0.00 C ATOM 1189 C ALA A 80 5.866 3.780 -3.960 1.00 0.00 C ATOM 1190 O ALA A 80 7.003 4.197 -4.176 1.00 0.00 O ATOM 1191 CB ALA A 80 4.409 4.357 -1.957 1.00 0.00 C ATOM 0 H ALA A 80 2.796 4.223 -3.805 1.00 0.00 H new ATOM 0 HA ALA A 80 5.204 5.721 -3.382 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.294 4.402 -1.323 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.665 5.066 -1.593 1.00 0.00 H new ATOM 0 HB3 ALA A 80 3.994 3.350 -1.929 1.00 0.00 H new ATOM 1197 N LEU A 81 5.468 2.536 -4.182 1.00 0.00 N ATOM 1198 CA LEU A 81 6.383 1.542 -4.717 1.00 0.00 C ATOM 1199 C LEU A 81 7.074 2.108 -5.959 1.00 0.00 C ATOM 1200 O LEU A 81 8.283 1.951 -6.126 1.00 0.00 O ATOM 1201 CB LEU A 81 5.651 0.222 -4.968 1.00 0.00 C ATOM 1202 CG LEU A 81 6.200 -0.644 -6.105 1.00 0.00 C ATOM 1203 CD1 LEU A 81 7.500 -1.336 -5.688 1.00 0.00 C ATOM 1204 CD2 LEU A 81 5.149 -1.643 -6.590 1.00 0.00 C ATOM 0 H LEU A 81 4.524 2.194 -4.001 1.00 0.00 H new ATOM 0 HA LEU A 81 7.165 1.314 -3.993 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.673 -0.363 -4.049 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.605 0.444 -5.179 1.00 0.00 H new ATOM 0 HG LEU A 81 6.437 0.007 -6.947 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.869 -1.945 -6.513 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.246 -0.584 -5.430 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.312 -1.973 -4.823 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.565 -2.245 -7.398 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.857 -2.293 -5.765 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.274 -1.103 -6.953 1.00 0.00 H new ATOM 1216 N LYS A 82 6.278 2.753 -6.798 1.00 0.00 N ATOM 1217 CA LYS A 82 6.799 3.343 -8.020 1.00 0.00 C ATOM 1218 C LYS A 82 7.658 4.559 -7.668 1.00 0.00 C ATOM 1219 O LYS A 82 8.550 4.934 -8.428 1.00 0.00 O ATOM 1220 CB LYS A 82 5.659 3.656 -8.992 1.00 0.00 C ATOM 1221 CG LYS A 82 5.371 2.460 -9.902 1.00 0.00 C ATOM 1222 CD LYS A 82 4.132 1.697 -9.427 1.00 0.00 C ATOM 1223 CE LYS A 82 4.504 0.292 -8.948 1.00 0.00 C ATOM 1224 NZ LYS A 82 5.674 -0.219 -9.698 1.00 0.00 N ATOM 0 H LYS A 82 5.276 2.880 -6.656 1.00 0.00 H new ATOM 0 HA LYS A 82 7.445 2.635 -8.540 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.761 3.917 -8.433 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.920 4.524 -9.598 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.221 2.805 -10.925 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.232 1.792 -9.914 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.651 2.246 -8.617 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.409 1.629 -10.240 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.729 0.313 -7.882 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.657 -0.380 -9.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.672 -1.259 -9.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.624 0.108 -10.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.549 0.134 -9.260 1.00 0.00 H new ATOM 1237 N ALA A 83 7.360 5.141 -6.516 1.00 0.00 N ATOM 1238 CA ALA A 83 8.094 6.307 -6.054 1.00 0.00 C ATOM 1239 C ALA A 83 9.517 5.891 -5.676 1.00 0.00 C ATOM 1240 O ALA A 83 10.467 6.640 -5.900 1.00 0.00 O ATOM 1241 CB ALA A 83 7.346 6.952 -4.886 1.00 0.00 C ATOM 0 H ALA A 83 6.620 4.827 -5.888 1.00 0.00 H new ATOM 0 HA ALA A 83 8.167 7.053 -6.846 1.00 0.00 H new ATOM 0 HB1 ALA A 83 7.897 7.827 -4.540 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.352 7.256 -5.214 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.256 6.234 -4.071 1.00 0.00 H new ATOM 1247 N ALA A 84 9.620 4.698 -5.109 1.00 0.00 N ATOM 1248 CA ALA A 84 10.911 4.173 -4.698 1.00 0.00 C ATOM 1249 C ALA A 84 11.803 4.002 -5.929 1.00 0.00 C ATOM 1250 O ALA A 84 12.963 4.412 -5.922 1.00 0.00 O ATOM 1251 CB ALA A 84 10.710 2.861 -3.937 1.00 0.00 C ATOM 0 H ALA A 84 8.830 4.080 -4.924 1.00 0.00 H new ATOM 0 HA ALA A 84 11.410 4.868 -4.023 1.00 0.00 H new ATOM 0 HB1 ALA A 84 11.678 2.467 -3.629 1.00 0.00 H new ATOM 0 HB2 ALA A 84 10.095 3.042 -3.056 1.00 0.00 H new ATOM 0 HB3 ALA A 84 10.213 2.138 -4.584 1.00 0.00 H new ATOM 1257 N ARG A 85 11.228 3.396 -6.957 1.00 0.00 N ATOM 1258 CA ARG A 85 11.956 3.166 -8.193 1.00 0.00 C ATOM 1259 C ARG A 85 12.131 4.479 -8.959 1.00 0.00 C ATOM 1260 O ARG A 85 12.996 4.585 -9.827 1.00 0.00 O ATOM 1261 CB ARG A 85 11.226 2.158 -9.083 1.00 0.00 C ATOM 1262 CG ARG A 85 11.700 0.731 -8.798 1.00 0.00 C ATOM 1263 CD ARG A 85 12.840 0.334 -9.739 1.00 0.00 C ATOM 1264 NE ARG A 85 13.063 -1.128 -9.674 1.00 0.00 N ATOM 1265 CZ ARG A 85 12.387 -2.031 -10.415 1.00 0.00 C ATOM 1266 NH1 ARG A 85 11.436 -1.629 -11.285 1.00 0.00 N ATOM 1267 NH2 ARG A 85 12.668 -3.313 -10.276 1.00 0.00 N ATOM 0 H ARG A 85 10.266 3.057 -6.959 1.00 0.00 H new ATOM 0 HA ARG A 85 12.934 2.761 -7.931 1.00 0.00 H new ATOM 0 HB2 ARG A 85 10.152 2.229 -8.913 1.00 0.00 H new ATOM 0 HB3 ARG A 85 11.400 2.400 -10.131 1.00 0.00 H new ATOM 0 HG2 ARG A 85 12.034 0.655 -7.763 1.00 0.00 H new ATOM 0 HG3 ARG A 85 10.868 0.037 -8.916 1.00 0.00 H new ATOM 0 HD2 ARG A 85 12.599 0.629 -10.760 1.00 0.00 H new ATOM 0 HD3 ARG A 85 13.752 0.862 -9.462 1.00 0.00 H new ATOM 0 HE ARG A 85 13.772 -1.475 -9.028 1.00 0.00 H new ATOM 0 HH11 ARG A 85 11.224 -0.636 -11.386 1.00 0.00 H new ATOM 0 HH12 ARG A 85 10.930 -2.318 -11.841 1.00 0.00 H new ATOM 0 HH21 ARG A 85 13.387 -3.609 -9.616 1.00 0.00 H new ATOM 0 HH22 ARG A 85 12.166 -4.008 -10.829 1.00 0.00 H new ATOM 1280 N GLU A 86 11.296 5.446 -8.610 1.00 0.00 N ATOM 1281 CA GLU A 86 11.347 6.748 -9.254 1.00 0.00 C ATOM 1282 C GLU A 86 12.484 7.586 -8.666 1.00 0.00 C ATOM 1283 O GLU A 86 12.962 8.523 -9.303 1.00 0.00 O ATOM 1284 CB GLU A 86 10.007 7.475 -9.127 1.00 0.00 C ATOM 1285 CG GLU A 86 9.991 8.747 -9.977 1.00 0.00 C ATOM 1286 CD GLU A 86 9.205 8.531 -11.272 1.00 0.00 C ATOM 1287 OE1 GLU A 86 8.089 7.991 -11.237 1.00 0.00 O ATOM 1288 OE2 GLU A 86 9.792 8.948 -12.342 1.00 0.00 O ATOM 0 H GLU A 86 10.580 5.354 -7.889 1.00 0.00 H new ATOM 0 HA GLU A 86 11.543 6.600 -10.316 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.199 6.814 -9.440 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.824 7.729 -8.083 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.545 9.563 -9.408 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.013 9.044 -10.213 1.00 0.00 H new ATOM 1296 N GLU A 87 12.883 7.219 -7.457 1.00 0.00 N ATOM 1297 CA GLU A 87 13.955 7.925 -6.776 1.00 0.00 C ATOM 1298 C GLU A 87 14.652 6.998 -5.778 1.00 0.00 C ATOM 1299 O GLU A 87 15.215 7.459 -4.787 1.00 0.00 O ATOM 1300 CB GLU A 87 13.428 9.182 -6.081 1.00 0.00 C ATOM 1301 CG GLU A 87 14.579 10.037 -5.547 1.00 0.00 C ATOM 1302 CD GLU A 87 14.199 11.519 -5.530 1.00 0.00 C ATOM 1303 OE1 GLU A 87 13.843 12.081 -6.576 1.00 0.00 O ATOM 1304 OE2 GLU A 87 14.283 12.090 -4.376 1.00 0.00 O ATOM 0 H GLU A 87 12.483 6.442 -6.931 1.00 0.00 H new ATOM 0 HA GLU A 87 14.686 8.240 -7.520 1.00 0.00 H new ATOM 0 HB2 GLU A 87 12.831 9.766 -6.782 1.00 0.00 H new ATOM 0 HB3 GLU A 87 12.769 8.899 -5.260 1.00 0.00 H new ATOM 0 HG2 GLU A 87 14.840 9.713 -4.539 1.00 0.00 H new ATOM 0 HG3 GLU A 87 15.463 9.892 -6.168 1.00 0.00 H new TER 1312 GLU A 87