USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 493 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 129 TYR OH : rot 165:sc= 0.42 USER MOD Set 1.2: A 133 LYS NZ :NH3+ 138:sc= 0.461 (180deg=0) USER MOD Set 2.1: A 123 HIS : no HD1:sc= -0.405 K(o=-0.76,f=0.78) USER MOD Set 2.2: A 127 LYS NZ :NH3+ 159:sc= -0.358 (180deg=-0.00883) USER MOD Set 3.1: A 62 THR OG1 : rot 180:sc= 0.0925 USER MOD Set 3.2: A 65 GLN : amide:sc= -1.56! K(o=-1.5!,f=0.066) USER MOD Single : A 66 MET CE :methyl 136:sc= -0.729 (180deg=-2.05!) USER MOD Single : A 68 LYS NZ :NH3+ -109:sc= 0.00425 (180deg=0) USER MOD Single : A 70 MET CE :methyl 155:sc= -0.604 (180deg=-1.03) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot -155:sc= 0.75 USER MOD Single : A 95 SER OG : rot 3:sc= 0.828! USER MOD Single : A 96 LYS NZ :NH3+ -125:sc= -1 (180deg=-2.79!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 83:sc= 0.503 USER MOD Single : A 107 ASN : amide:sc= -0.119 X(o=-0.12,f=-0.55) USER MOD Single : A 108 THR OG1 : rot -61:sc= 1.03 USER MOD Single : A 109 SER OG : rot 180:sc= -0.433 USER MOD Single : A 110 CYS SG : rot -48:sc= -0.278 USER MOD Single : A 118 CYS SG : rot -170:sc= 0.034 USER MOD Single : A 130 HIS : no HE2:sc= -0.898 X(o=-0.9,f=-0.98) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 135 LYS NZ :NH3+ -162:sc=-0.00371 (180deg=-0.167) USER MOD ----------------------------------------------------------------- ATOM 78 N THR A 62 -12.235 -2.202 -5.181 1.00 0.00 N ATOM 79 CA THR A 62 -12.517 -3.217 -4.168 1.00 0.00 C ATOM 80 C THR A 62 -11.285 -3.458 -3.296 1.00 0.00 C ATOM 81 O THR A 62 -10.155 -3.350 -3.770 1.00 0.00 O ATOM 82 CB THR A 62 -12.925 -4.528 -4.850 1.00 0.00 C ATOM 83 OG1 THR A 62 -11.759 -5.269 -5.179 1.00 0.00 O ATOM 84 CG2 THR A 62 -13.711 -4.217 -6.126 1.00 0.00 C ATOM 0 HA THR A 62 -13.332 -2.863 -3.537 1.00 0.00 H new ATOM 0 HB THR A 62 -13.550 -5.112 -4.174 1.00 0.00 H new ATOM 0 HG1 THR A 62 -12.017 -6.109 -5.614 1.00 0.00 H new ATOM 0 HG21 THR A 62 -14.001 -5.149 -6.611 1.00 0.00 H new ATOM 0 HG22 THR A 62 -14.604 -3.646 -5.873 1.00 0.00 H new ATOM 0 HG23 THR A 62 -13.088 -3.634 -6.804 1.00 0.00 H new ATOM 92 N PRO A 63 -11.478 -3.784 -2.041 1.00 0.00 N ATOM 93 CA PRO A 63 -10.349 -4.041 -1.097 1.00 0.00 C ATOM 94 C PRO A 63 -9.507 -5.238 -1.533 1.00 0.00 C ATOM 95 O PRO A 63 -8.285 -5.241 -1.378 1.00 0.00 O ATOM 96 CB PRO A 63 -11.037 -4.307 0.251 1.00 0.00 C ATOM 97 CG PRO A 63 -12.447 -4.670 -0.082 1.00 0.00 C ATOM 98 CD PRO A 63 -12.785 -3.948 -1.383 1.00 0.00 C ATOM 0 HA PRO A 63 -9.653 -3.203 -1.054 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -10.542 -5.114 0.791 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -11.000 -3.425 0.891 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -12.553 -5.749 -0.198 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -13.124 -4.368 0.717 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -13.472 -4.530 -1.997 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -13.262 -2.986 -1.195 1.00 0.00 H new ATOM 106 N GLU A 64 -10.168 -6.250 -2.086 1.00 0.00 N ATOM 107 CA GLU A 64 -9.470 -7.442 -2.548 1.00 0.00 C ATOM 108 C GLU A 64 -8.625 -7.117 -3.774 1.00 0.00 C ATOM 109 O GLU A 64 -7.515 -7.627 -3.930 1.00 0.00 O ATOM 110 CB GLU A 64 -10.480 -8.539 -2.894 1.00 0.00 C ATOM 111 CG GLU A 64 -9.734 -9.793 -3.353 1.00 0.00 C ATOM 112 CD GLU A 64 -10.704 -10.965 -3.464 1.00 0.00 C ATOM 113 OE1 GLU A 64 -11.397 -11.229 -2.494 1.00 0.00 O ATOM 114 OE2 GLU A 64 -10.742 -11.581 -4.516 1.00 0.00 O ATOM 0 H GLU A 64 -11.178 -6.268 -2.224 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.816 -7.794 -1.750 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -11.097 -8.768 -2.025 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.152 -8.195 -3.680 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.259 -9.611 -4.317 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.940 -10.033 -2.646 1.00 0.00 H new ATOM 121 N GLN A 65 -9.158 -6.260 -4.640 1.00 0.00 N ATOM 122 CA GLN A 65 -8.446 -5.868 -5.849 1.00 0.00 C ATOM 123 C GLN A 65 -7.165 -5.121 -5.494 1.00 0.00 C ATOM 124 O GLN A 65 -6.073 -5.514 -5.900 1.00 0.00 O ATOM 125 CB GLN A 65 -9.337 -4.976 -6.715 1.00 0.00 C ATOM 126 CG GLN A 65 -8.551 -4.503 -7.940 1.00 0.00 C ATOM 127 CD GLN A 65 -9.501 -3.894 -8.966 1.00 0.00 C ATOM 128 OE1 GLN A 65 -9.066 -3.453 -10.030 1.00 0.00 O ATOM 129 NE2 GLN A 65 -10.777 -3.839 -8.707 1.00 0.00 N ATOM 0 H GLN A 65 -10.075 -5.827 -4.527 1.00 0.00 H new ATOM 0 HA GLN A 65 -8.187 -6.769 -6.405 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.224 -5.526 -7.029 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -9.682 -4.118 -6.138 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.805 -3.767 -7.641 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.013 -5.341 -8.383 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -11.135 -4.205 -7.825 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -11.418 -3.430 -9.387 1.00 0.00 H new ATOM 138 N MET A 66 -7.308 -4.042 -4.730 1.00 0.00 N ATOM 139 CA MET A 66 -6.152 -3.250 -4.326 1.00 0.00 C ATOM 140 C MET A 66 -5.150 -4.114 -3.567 1.00 0.00 C ATOM 141 O MET A 66 -3.940 -3.959 -3.722 1.00 0.00 O ATOM 142 CB MET A 66 -6.599 -2.081 -3.442 1.00 0.00 C ATOM 143 CG MET A 66 -7.340 -2.614 -2.218 1.00 0.00 C ATOM 144 SD MET A 66 -7.913 -1.228 -1.204 1.00 0.00 S ATOM 145 CE MET A 66 -9.067 -0.515 -2.403 1.00 0.00 C ATOM 0 H MET A 66 -8.203 -3.699 -4.381 1.00 0.00 H new ATOM 0 HA MET A 66 -5.671 -2.860 -5.223 1.00 0.00 H new ATOM 0 HB2 MET A 66 -5.733 -1.498 -3.129 1.00 0.00 H new ATOM 0 HB3 MET A 66 -7.247 -1.412 -4.008 1.00 0.00 H new ATOM 0 HG2 MET A 66 -8.188 -3.224 -2.531 1.00 0.00 H new ATOM 0 HG3 MET A 66 -6.682 -3.258 -1.634 1.00 0.00 H new ATOM 0 HE1 MET A 66 -9.996 -0.248 -1.899 1.00 0.00 H new ATOM 0 HE2 MET A 66 -8.625 0.377 -2.847 1.00 0.00 H new ATOM 0 HE3 MET A 66 -9.276 -1.245 -3.186 1.00 0.00 H new ATOM 155 N ALA A 67 -5.663 -5.029 -2.749 1.00 0.00 N ATOM 156 CA ALA A 67 -4.802 -5.914 -1.973 1.00 0.00 C ATOM 157 C ALA A 67 -3.979 -6.802 -2.897 1.00 0.00 C ATOM 158 O ALA A 67 -2.809 -7.080 -2.629 1.00 0.00 O ATOM 159 CB ALA A 67 -5.651 -6.784 -1.045 1.00 0.00 C ATOM 0 H ALA A 67 -6.662 -5.176 -2.607 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.124 -5.303 -1.377 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.001 -7.443 -0.468 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.217 -6.147 -0.365 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.341 -7.384 -1.639 1.00 0.00 H new ATOM 165 N LYS A 68 -4.595 -7.242 -3.987 1.00 0.00 N ATOM 166 CA LYS A 68 -3.912 -8.098 -4.947 1.00 0.00 C ATOM 167 C LYS A 68 -2.862 -7.303 -5.720 1.00 0.00 C ATOM 168 O LYS A 68 -1.732 -7.758 -5.896 1.00 0.00 O ATOM 169 CB LYS A 68 -4.927 -8.695 -5.924 1.00 0.00 C ATOM 170 CG LYS A 68 -5.679 -9.842 -5.246 1.00 0.00 C ATOM 171 CD LYS A 68 -6.777 -10.355 -6.177 1.00 0.00 C ATOM 172 CE LYS A 68 -7.325 -11.679 -5.643 1.00 0.00 C ATOM 173 NZ LYS A 68 -8.284 -12.255 -6.628 1.00 0.00 N ATOM 0 H LYS A 68 -5.561 -7.021 -4.227 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.414 -8.901 -4.404 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.630 -7.927 -6.248 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.418 -9.058 -6.817 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.988 -10.649 -5.002 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.114 -9.500 -4.307 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.579 -9.620 -6.249 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.380 -10.493 -7.183 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.507 -12.377 -5.465 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.822 -11.519 -4.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.251 -12.185 -6.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.221 -11.729 -7.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.050 -13.254 -6.797 1.00 0.00 H new ATOM 187 N GLU A 69 -3.246 -6.116 -6.182 1.00 0.00 N ATOM 188 CA GLU A 69 -2.332 -5.266 -6.939 1.00 0.00 C ATOM 189 C GLU A 69 -1.155 -4.828 -6.071 1.00 0.00 C ATOM 190 O GLU A 69 -0.021 -4.737 -6.546 1.00 0.00 O ATOM 191 CB GLU A 69 -3.075 -4.033 -7.455 1.00 0.00 C ATOM 192 CG GLU A 69 -4.146 -4.464 -8.458 1.00 0.00 C ATOM 193 CD GLU A 69 -4.776 -3.238 -9.109 1.00 0.00 C ATOM 194 OE1 GLU A 69 -4.195 -2.729 -10.054 1.00 0.00 O ATOM 195 OE2 GLU A 69 -5.831 -2.826 -8.654 1.00 0.00 O ATOM 0 H GLU A 69 -4.177 -5.723 -6.047 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.949 -5.841 -7.782 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.535 -3.498 -6.624 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.374 -3.345 -7.928 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.704 -5.104 -9.221 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.913 -5.052 -7.953 1.00 0.00 H new ATOM 202 N MET A 70 -1.426 -4.562 -4.800 1.00 0.00 N ATOM 203 CA MET A 70 -0.374 -4.139 -3.885 1.00 0.00 C ATOM 204 C MET A 70 0.559 -5.305 -3.577 1.00 0.00 C ATOM 205 O MET A 70 1.763 -5.234 -3.823 1.00 0.00 O ATOM 206 CB MET A 70 -0.990 -3.617 -2.581 1.00 0.00 C ATOM 207 CG MET A 70 -1.530 -2.199 -2.787 1.00 0.00 C ATOM 208 SD MET A 70 -1.914 -1.462 -1.180 1.00 0.00 S ATOM 209 CE MET A 70 -3.565 -2.173 -0.975 1.00 0.00 C ATOM 0 H MET A 70 -2.354 -4.630 -4.383 1.00 0.00 H new ATOM 0 HA MET A 70 0.198 -3.341 -4.359 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.795 -4.278 -2.259 1.00 0.00 H new ATOM 0 HB3 MET A 70 -0.241 -3.618 -1.789 1.00 0.00 H new ATOM 0 HG2 MET A 70 -0.794 -1.590 -3.312 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.424 -2.226 -3.410 1.00 0.00 H new ATOM 0 HE1 MET A 70 -3.808 -2.228 0.086 1.00 0.00 H new ATOM 0 HE2 MET A 70 -4.297 -1.545 -1.483 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.586 -3.175 -1.405 1.00 0.00 H new ATOM 219 N SER A 71 -0.006 -6.378 -3.034 1.00 0.00 N ATOM 220 CA SER A 71 0.782 -7.556 -2.689 1.00 0.00 C ATOM 221 C SER A 71 1.726 -7.941 -3.825 1.00 0.00 C ATOM 222 O SER A 71 2.932 -8.079 -3.618 1.00 0.00 O ATOM 223 CB SER A 71 -0.148 -8.729 -2.377 1.00 0.00 C ATOM 224 OG SER A 71 0.586 -9.944 -2.455 1.00 0.00 O ATOM 0 H SER A 71 -1.001 -6.457 -2.824 1.00 0.00 H new ATOM 0 HA SER A 71 1.381 -7.317 -1.811 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.577 -8.613 -1.382 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.979 -8.747 -3.082 1.00 0.00 H new ATOM 0 HG SER A 71 -0.007 -10.698 -2.254 1.00 0.00 H new ATOM 230 N GLU A 72 1.178 -8.119 -5.024 1.00 0.00 N ATOM 231 CA GLU A 72 1.998 -8.496 -6.170 1.00 0.00 C ATOM 232 C GLU A 72 3.033 -7.415 -6.472 1.00 0.00 C ATOM 233 O GLU A 72 4.189 -7.721 -6.762 1.00 0.00 O ATOM 234 CB GLU A 72 1.117 -8.739 -7.400 1.00 0.00 C ATOM 235 CG GLU A 72 0.521 -7.418 -7.878 1.00 0.00 C ATOM 236 CD GLU A 72 -0.539 -7.680 -8.943 1.00 0.00 C ATOM 237 OE1 GLU A 72 -1.080 -8.774 -8.955 1.00 0.00 O ATOM 238 OE2 GLU A 72 -0.795 -6.783 -9.730 1.00 0.00 O ATOM 0 H GLU A 72 0.184 -8.010 -5.226 1.00 0.00 H new ATOM 0 HA GLU A 72 2.523 -9.419 -5.924 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.706 -9.192 -8.197 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.320 -9.441 -7.155 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.079 -6.883 -7.037 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.307 -6.781 -8.284 1.00 0.00 H new ATOM 245 N PHE A 73 2.618 -6.152 -6.398 1.00 0.00 N ATOM 246 CA PHE A 73 3.539 -5.052 -6.664 1.00 0.00 C ATOM 247 C PHE A 73 4.835 -5.257 -5.882 1.00 0.00 C ATOM 248 O PHE A 73 5.927 -5.188 -6.445 1.00 0.00 O ATOM 249 CB PHE A 73 2.895 -3.712 -6.272 1.00 0.00 C ATOM 250 CG PHE A 73 2.566 -2.914 -7.515 1.00 0.00 C ATOM 251 CD1 PHE A 73 1.769 -3.479 -8.517 1.00 0.00 C ATOM 252 CD2 PHE A 73 3.059 -1.612 -7.664 1.00 0.00 C ATOM 253 CE1 PHE A 73 1.466 -2.742 -9.669 1.00 0.00 C ATOM 254 CE2 PHE A 73 2.754 -0.875 -8.816 1.00 0.00 C ATOM 255 CZ PHE A 73 1.958 -1.441 -9.818 1.00 0.00 C ATOM 0 H PHE A 73 1.667 -5.869 -6.160 1.00 0.00 H new ATOM 0 HA PHE A 73 3.765 -5.033 -7.730 1.00 0.00 H new ATOM 0 HB2 PHE A 73 1.989 -3.890 -5.693 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.574 -3.145 -5.635 1.00 0.00 H new ATOM 0 HD1 PHE A 73 1.388 -4.483 -8.402 1.00 0.00 H new ATOM 0 HD2 PHE A 73 3.674 -1.176 -6.891 1.00 0.00 H new ATOM 0 HE1 PHE A 73 0.852 -3.179 -10.443 1.00 0.00 H new ATOM 0 HE2 PHE A 73 3.133 0.130 -8.931 1.00 0.00 H new ATOM 0 HZ PHE A 73 1.723 -0.873 -10.706 1.00 0.00 H new ATOM 265 N LEU A 74 4.705 -5.515 -4.583 1.00 0.00 N ATOM 266 CA LEU A 74 5.873 -5.737 -3.741 1.00 0.00 C ATOM 267 C LEU A 74 6.633 -6.973 -4.206 1.00 0.00 C ATOM 268 O LEU A 74 7.852 -6.941 -4.373 1.00 0.00 O ATOM 269 CB LEU A 74 5.450 -5.921 -2.280 1.00 0.00 C ATOM 270 CG LEU A 74 4.471 -4.814 -1.880 1.00 0.00 C ATOM 271 CD1 LEU A 74 4.164 -4.922 -0.385 1.00 0.00 C ATOM 272 CD2 LEU A 74 5.094 -3.447 -2.176 1.00 0.00 C ATOM 0 H LEU A 74 3.811 -5.575 -4.096 1.00 0.00 H new ATOM 0 HA LEU A 74 6.522 -4.865 -3.820 1.00 0.00 H new ATOM 0 HB2 LEU A 74 4.983 -6.897 -2.147 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.326 -5.896 -1.632 1.00 0.00 H new ATOM 0 HG LEU A 74 3.548 -4.922 -2.450 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.467 -4.134 -0.099 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.719 -5.894 -0.174 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.087 -4.814 0.185 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.396 -2.660 -1.891 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.017 -3.337 -1.607 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.313 -3.370 -3.241 1.00 0.00 H new ATOM 284 N SER A 75 5.901 -8.063 -4.420 1.00 0.00 N ATOM 285 CA SER A 75 6.513 -9.307 -4.870 1.00 0.00 C ATOM 286 C SER A 75 7.462 -9.042 -6.035 1.00 0.00 C ATOM 287 O SER A 75 8.584 -9.550 -6.062 1.00 0.00 O ATOM 288 CB SER A 75 5.431 -10.294 -5.306 1.00 0.00 C ATOM 289 OG SER A 75 6.033 -11.546 -5.610 1.00 0.00 O ATOM 0 H SER A 75 4.890 -8.109 -4.290 1.00 0.00 H new ATOM 0 HA SER A 75 7.079 -9.734 -4.042 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.692 -10.415 -4.514 1.00 0.00 H new ATOM 0 HB3 SER A 75 4.902 -9.910 -6.178 1.00 0.00 H new ATOM 0 HG SER A 75 5.342 -12.182 -5.889 1.00 0.00 H new ATOM 295 N ARG A 76 7.005 -8.243 -6.994 1.00 0.00 N ATOM 296 CA ARG A 76 7.823 -7.917 -8.156 1.00 0.00 C ATOM 297 C ARG A 76 9.009 -7.049 -7.749 1.00 0.00 C ATOM 298 O ARG A 76 10.123 -7.230 -8.242 1.00 0.00 O ATOM 299 CB ARG A 76 6.981 -7.176 -9.197 1.00 0.00 C ATOM 300 CG ARG A 76 5.846 -8.085 -9.675 1.00 0.00 C ATOM 301 CD ARG A 76 5.141 -7.439 -10.869 1.00 0.00 C ATOM 302 NE ARG A 76 3.903 -8.149 -11.168 1.00 0.00 N ATOM 303 CZ ARG A 76 3.001 -7.636 -11.999 1.00 0.00 C ATOM 304 NH1 ARG A 76 3.216 -6.478 -12.562 1.00 0.00 N ATOM 305 NH2 ARG A 76 1.900 -8.290 -12.252 1.00 0.00 N ATOM 0 H ARG A 76 6.080 -7.813 -6.990 1.00 0.00 H new ATOM 0 HA ARG A 76 8.197 -8.846 -8.586 1.00 0.00 H new ATOM 0 HB2 ARG A 76 6.572 -6.262 -8.766 1.00 0.00 H new ATOM 0 HB3 ARG A 76 7.604 -6.880 -10.041 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.242 -9.060 -9.958 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.135 -8.252 -8.866 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.925 -6.393 -10.651 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.797 -7.454 -11.740 1.00 0.00 H new ATOM 0 HE ARG A 76 3.726 -9.054 -10.732 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.076 -5.967 -12.364 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.524 -6.085 -13.200 1.00 0.00 H new ATOM 0 HH21 ARG A 76 1.732 -9.195 -11.812 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.208 -7.896 -12.890 1.00 0.00 H new ATOM 526 N TYR A 92 9.978 8.701 5.424 1.00 0.00 N ATOM 527 CA TYR A 92 9.011 9.310 4.515 1.00 0.00 C ATOM 528 C TYR A 92 7.588 8.983 4.960 1.00 0.00 C ATOM 529 O TYR A 92 7.151 7.834 4.879 1.00 0.00 O ATOM 530 CB TYR A 92 9.238 8.788 3.090 1.00 0.00 C ATOM 531 CG TYR A 92 10.143 9.733 2.334 1.00 0.00 C ATOM 532 CD1 TYR A 92 9.634 10.930 1.819 1.00 0.00 C ATOM 533 CD2 TYR A 92 11.492 9.407 2.148 1.00 0.00 C ATOM 534 CE1 TYR A 92 10.475 11.803 1.117 1.00 0.00 C ATOM 535 CE2 TYR A 92 12.332 10.281 1.447 1.00 0.00 C ATOM 536 CZ TYR A 92 11.823 11.479 0.932 1.00 0.00 C ATOM 537 OH TYR A 92 12.652 12.340 0.240 1.00 0.00 O ATOM 0 HA TYR A 92 9.147 10.391 4.531 1.00 0.00 H new ATOM 0 HB2 TYR A 92 9.683 7.794 3.124 1.00 0.00 H new ATOM 0 HB3 TYR A 92 8.284 8.692 2.572 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.593 11.181 1.963 1.00 0.00 H new ATOM 0 HD2 TYR A 92 11.884 8.482 2.545 1.00 0.00 H new ATOM 0 HE1 TYR A 92 10.082 12.727 0.718 1.00 0.00 H new ATOM 0 HE2 TYR A 92 13.373 10.031 1.304 1.00 0.00 H new ATOM 0 HH TYR A 92 13.402 11.837 -0.141 1.00 0.00 H new ATOM 547 N ASP A 93 6.869 9.998 5.427 1.00 0.00 N ATOM 548 CA ASP A 93 5.495 9.807 5.881 1.00 0.00 C ATOM 549 C ASP A 93 4.511 10.122 4.757 1.00 0.00 C ATOM 550 O ASP A 93 4.147 11.278 4.547 1.00 0.00 O ATOM 551 CB ASP A 93 5.210 10.714 7.078 1.00 0.00 C ATOM 552 CG ASP A 93 6.052 10.282 8.274 1.00 0.00 C ATOM 553 OD1 ASP A 93 5.848 9.177 8.748 1.00 0.00 O ATOM 554 OD2 ASP A 93 6.889 11.063 8.697 1.00 0.00 O ATOM 0 H ASP A 93 7.211 10.956 5.501 1.00 0.00 H new ATOM 0 HA ASP A 93 5.371 8.765 6.177 1.00 0.00 H new ATOM 0 HB2 ASP A 93 5.433 11.749 6.821 1.00 0.00 H new ATOM 0 HB3 ASP A 93 4.151 10.670 7.334 1.00 0.00 H new ATOM 559 N LEU A 94 4.087 9.085 4.038 1.00 0.00 N ATOM 560 CA LEU A 94 3.142 9.266 2.938 1.00 0.00 C ATOM 561 C LEU A 94 1.727 8.923 3.388 1.00 0.00 C ATOM 562 O LEU A 94 0.857 8.633 2.566 1.00 0.00 O ATOM 563 CB LEU A 94 3.531 8.368 1.760 1.00 0.00 C ATOM 564 CG LEU A 94 5.044 8.440 1.529 1.00 0.00 C ATOM 565 CD1 LEU A 94 5.424 7.537 0.351 1.00 0.00 C ATOM 566 CD2 LEU A 94 5.445 9.883 1.213 1.00 0.00 C ATOM 0 H LEU A 94 4.379 8.120 4.195 1.00 0.00 H new ATOM 0 HA LEU A 94 3.173 10.310 2.627 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.233 7.339 1.962 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.001 8.683 0.861 1.00 0.00 H new ATOM 0 HG LEU A 94 5.564 8.106 2.427 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.500 7.588 0.186 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.139 6.509 0.574 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.903 7.871 -0.546 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.521 9.934 1.049 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.925 10.217 0.315 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.175 10.527 2.050 1.00 0.00 H new ATOM 578 N SER A 95 1.501 8.955 4.698 1.00 0.00 N ATOM 579 CA SER A 95 0.185 8.644 5.245 1.00 0.00 C ATOM 580 C SER A 95 -0.853 9.647 4.753 1.00 0.00 C ATOM 581 O SER A 95 -2.038 9.533 5.068 1.00 0.00 O ATOM 582 CB SER A 95 0.235 8.667 6.772 1.00 0.00 C ATOM 583 OG SER A 95 -1.088 8.721 7.286 1.00 0.00 O ATOM 0 H SER A 95 2.206 9.191 5.396 1.00 0.00 H new ATOM 0 HA SER A 95 -0.101 7.648 4.906 1.00 0.00 H new ATOM 0 HB2 SER A 95 0.745 7.779 7.144 1.00 0.00 H new ATOM 0 HB3 SER A 95 0.806 9.530 7.115 1.00 0.00 H new ATOM 0 HG SER A 95 -1.729 8.679 6.546 1.00 0.00 H new ATOM 589 N LYS A 96 -0.402 10.629 3.980 1.00 0.00 N ATOM 590 CA LYS A 96 -1.300 11.652 3.449 1.00 0.00 C ATOM 591 C LYS A 96 -1.600 11.385 1.977 1.00 0.00 C ATOM 592 O LYS A 96 -2.444 12.049 1.374 1.00 0.00 O ATOM 593 CB LYS A 96 -0.664 13.039 3.594 1.00 0.00 C ATOM 594 CG LYS A 96 -0.275 13.287 5.060 1.00 0.00 C ATOM 595 CD LYS A 96 -1.483 13.816 5.843 1.00 0.00 C ATOM 596 CE LYS A 96 -1.850 15.229 5.367 1.00 0.00 C ATOM 597 NZ LYS A 96 -2.966 15.146 4.383 1.00 0.00 N ATOM 0 H LYS A 96 0.575 10.740 3.707 1.00 0.00 H new ATOM 0 HA LYS A 96 -2.231 11.619 4.015 1.00 0.00 H new ATOM 0 HB2 LYS A 96 0.218 13.112 2.958 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.363 13.806 3.260 1.00 0.00 H new ATOM 0 HG2 LYS A 96 0.084 12.362 5.511 1.00 0.00 H new ATOM 0 HG3 LYS A 96 0.544 14.005 5.111 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -2.333 13.147 5.708 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -1.255 13.832 6.909 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -2.145 15.846 6.216 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.983 15.708 4.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -2.688 15.623 3.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -3.180 14.148 4.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -3.810 15.609 4.776 1.00 0.00 H new ATOM 611 N TRP A 97 -0.901 10.410 1.403 1.00 0.00 N ATOM 612 CA TRP A 97 -1.096 10.062 -0.001 1.00 0.00 C ATOM 613 C TRP A 97 -2.239 9.062 -0.148 1.00 0.00 C ATOM 614 O TRP A 97 -2.642 8.417 0.820 1.00 0.00 O ATOM 615 CB TRP A 97 0.186 9.455 -0.571 1.00 0.00 C ATOM 616 CG TRP A 97 1.271 10.486 -0.589 1.00 0.00 C ATOM 617 CD1 TRP A 97 1.700 11.186 0.488 1.00 0.00 C ATOM 618 CD2 TRP A 97 2.072 10.940 -1.718 1.00 0.00 C ATOM 619 NE1 TRP A 97 2.712 12.040 0.089 1.00 0.00 N ATOM 620 CE2 TRP A 97 2.978 11.927 -1.259 1.00 0.00 C ATOM 621 CE3 TRP A 97 2.101 10.595 -3.081 1.00 0.00 C ATOM 622 CZ2 TRP A 97 3.880 12.548 -2.122 1.00 0.00 C ATOM 623 CZ3 TRP A 97 3.008 11.221 -3.954 1.00 0.00 C ATOM 624 CH2 TRP A 97 3.896 12.194 -3.474 1.00 0.00 C ATOM 0 H TRP A 97 -0.198 9.850 1.885 1.00 0.00 H new ATOM 0 HA TRP A 97 -1.345 10.970 -0.551 1.00 0.00 H new ATOM 0 HB2 TRP A 97 0.494 8.600 0.032 1.00 0.00 H new ATOM 0 HB3 TRP A 97 0.007 9.085 -1.580 1.00 0.00 H new ATOM 0 HD1 TRP A 97 1.315 11.093 1.493 1.00 0.00 H new ATOM 0 HE1 TRP A 97 3.203 12.677 0.717 1.00 0.00 H new ATOM 0 HE3 TRP A 97 1.423 9.845 -3.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 4.562 13.298 -1.748 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 3.021 10.951 -5.000 1.00 0.00 H new ATOM 0 HH2 TRP A 97 4.592 12.670 -4.149 1.00 0.00 H new ATOM 635 N LYS A 98 -2.755 8.935 -1.368 1.00 0.00 N ATOM 636 CA LYS A 98 -3.851 8.007 -1.638 1.00 0.00 C ATOM 637 C LYS A 98 -3.352 6.811 -2.443 1.00 0.00 C ATOM 638 O LYS A 98 -2.353 6.903 -3.156 1.00 0.00 O ATOM 639 CB LYS A 98 -4.960 8.719 -2.414 1.00 0.00 C ATOM 640 CG LYS A 98 -5.212 10.099 -1.802 1.00 0.00 C ATOM 641 CD LYS A 98 -5.608 9.945 -0.333 1.00 0.00 C ATOM 642 CE LYS A 98 -6.252 11.242 0.164 1.00 0.00 C ATOM 643 NZ LYS A 98 -6.393 11.192 1.646 1.00 0.00 N ATOM 0 H LYS A 98 -2.434 9.460 -2.182 1.00 0.00 H new ATOM 0 HA LYS A 98 -4.245 7.652 -0.686 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -4.676 8.821 -3.462 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.874 8.126 -2.388 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -4.316 10.714 -1.885 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -6.002 10.612 -2.350 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -6.304 9.114 -0.219 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.730 9.710 0.268 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -5.641 12.097 -0.125 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -7.229 11.376 -0.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -6.830 12.073 1.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -6.993 10.385 1.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -5.454 11.083 2.081 1.00 0.00 H new ATOM 657 N TYR A 99 -4.054 5.690 -2.320 1.00 0.00 N ATOM 658 CA TYR A 99 -3.678 4.474 -3.036 1.00 0.00 C ATOM 659 C TYR A 99 -3.292 4.790 -4.481 1.00 0.00 C ATOM 660 O TYR A 99 -2.282 4.297 -4.984 1.00 0.00 O ATOM 661 CB TYR A 99 -4.848 3.485 -3.014 1.00 0.00 C ATOM 662 CG TYR A 99 -4.566 2.328 -3.949 1.00 0.00 C ATOM 663 CD1 TYR A 99 -3.437 1.526 -3.748 1.00 0.00 C ATOM 664 CD2 TYR A 99 -5.437 2.056 -5.014 1.00 0.00 C ATOM 665 CE1 TYR A 99 -3.176 0.455 -4.610 1.00 0.00 C ATOM 666 CE2 TYR A 99 -5.176 0.984 -5.874 1.00 0.00 C ATOM 667 CZ TYR A 99 -4.046 0.183 -5.674 1.00 0.00 C ATOM 668 OH TYR A 99 -3.789 -0.873 -6.523 1.00 0.00 O ATOM 0 H TYR A 99 -4.884 5.597 -1.734 1.00 0.00 H new ATOM 0 HA TYR A 99 -2.814 4.031 -2.541 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -5.003 3.115 -2.001 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -5.767 3.989 -3.313 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -2.767 1.734 -2.927 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -6.309 2.674 -5.170 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -2.303 -0.162 -4.455 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -5.847 0.774 -6.693 1.00 0.00 H new ATOM 0 HH TYR A 99 -4.491 -0.922 -7.205 1.00 0.00 H new ATOM 678 N ALA A 100 -4.107 5.608 -5.141 1.00 0.00 N ATOM 679 CA ALA A 100 -3.849 5.975 -6.532 1.00 0.00 C ATOM 680 C ALA A 100 -2.587 6.828 -6.650 1.00 0.00 C ATOM 681 O ALA A 100 -1.817 6.685 -7.601 1.00 0.00 O ATOM 682 CB ALA A 100 -5.040 6.751 -7.093 1.00 0.00 C ATOM 0 H ALA A 100 -4.946 6.027 -4.740 1.00 0.00 H new ATOM 0 HA ALA A 100 -3.703 5.058 -7.103 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -4.842 7.022 -8.130 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -5.934 6.130 -7.045 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -5.194 7.656 -6.505 1.00 0.00 H new ATOM 688 N GLU A 101 -2.386 7.718 -5.685 1.00 0.00 N ATOM 689 CA GLU A 101 -1.219 8.592 -5.698 1.00 0.00 C ATOM 690 C GLU A 101 0.060 7.788 -5.497 1.00 0.00 C ATOM 691 O GLU A 101 1.037 7.971 -6.221 1.00 0.00 O ATOM 692 CB GLU A 101 -1.344 9.644 -4.593 1.00 0.00 C ATOM 693 CG GLU A 101 -2.636 10.446 -4.788 1.00 0.00 C ATOM 694 CD GLU A 101 -2.410 11.567 -5.798 1.00 0.00 C ATOM 695 OE1 GLU A 101 -2.064 11.262 -6.926 1.00 0.00 O ATOM 696 OE2 GLU A 101 -2.585 12.717 -5.425 1.00 0.00 O ATOM 0 H GLU A 101 -3.010 7.853 -4.890 1.00 0.00 H new ATOM 0 HA GLU A 101 -1.171 9.087 -6.668 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.348 9.161 -3.616 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.483 10.312 -4.614 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.433 9.788 -5.135 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.961 10.864 -3.835 1.00 0.00 H new ATOM 703 N LEU A 102 0.046 6.901 -4.510 1.00 0.00 N ATOM 704 CA LEU A 102 1.211 6.075 -4.220 1.00 0.00 C ATOM 705 C LEU A 102 1.570 5.203 -5.420 1.00 0.00 C ATOM 706 O LEU A 102 2.648 5.346 -6.001 1.00 0.00 O ATOM 707 CB LEU A 102 0.928 5.190 -3.005 1.00 0.00 C ATOM 708 CG LEU A 102 0.751 6.063 -1.759 1.00 0.00 C ATOM 709 CD1 LEU A 102 0.294 5.190 -0.588 1.00 0.00 C ATOM 710 CD2 LEU A 102 2.080 6.743 -1.400 1.00 0.00 C ATOM 0 H LEU A 102 -0.754 6.736 -3.900 1.00 0.00 H new ATOM 0 HA LEU A 102 2.054 6.731 -4.005 1.00 0.00 H new ATOM 0 HB2 LEU A 102 0.029 4.598 -3.176 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.749 4.488 -2.855 1.00 0.00 H new ATOM 0 HG LEU A 102 0.002 6.828 -1.963 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.167 5.809 0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -0.655 4.715 -0.837 1.00 0.00 H new ATOM 0 HD13 LEU A 102 1.043 4.423 -0.392 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.944 7.362 -0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 102 2.835 5.983 -1.200 1.00 0.00 H new ATOM 0 HD23 LEU A 102 2.405 7.368 -2.232 1.00 0.00 H new ATOM 722 N ARG A 103 0.667 4.300 -5.786 1.00 0.00 N ATOM 723 CA ARG A 103 0.911 3.413 -6.918 1.00 0.00 C ATOM 724 C ARG A 103 1.350 4.216 -8.141 1.00 0.00 C ATOM 725 O ARG A 103 2.244 3.806 -8.883 1.00 0.00 O ATOM 726 CB ARG A 103 -0.355 2.615 -7.245 1.00 0.00 C ATOM 727 CG ARG A 103 -1.417 3.548 -7.827 1.00 0.00 C ATOM 728 CD ARG A 103 -2.751 2.805 -7.929 1.00 0.00 C ATOM 729 NE ARG A 103 -3.628 3.473 -8.883 1.00 0.00 N ATOM 730 CZ ARG A 103 -4.701 2.862 -9.376 1.00 0.00 C ATOM 731 NH1 ARG A 103 -4.982 1.641 -9.007 1.00 0.00 N ATOM 732 NH2 ARG A 103 -5.471 3.480 -10.228 1.00 0.00 N ATOM 0 H ARG A 103 -0.231 4.163 -5.322 1.00 0.00 H new ATOM 0 HA ARG A 103 1.709 2.721 -6.649 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -0.123 1.823 -7.957 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -0.735 2.133 -6.344 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.527 4.429 -7.195 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -1.108 3.898 -8.812 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -2.579 1.775 -8.242 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -3.229 2.765 -6.950 1.00 0.00 H new ATOM 0 HE ARG A 103 -3.415 4.426 -9.177 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -4.379 1.158 -8.342 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -5.805 1.171 -9.384 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -5.250 4.433 -10.517 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -6.294 3.010 -10.606 1.00 0.00 H new ATOM 746 N ASP A 104 0.716 5.366 -8.344 1.00 0.00 N ATOM 747 CA ASP A 104 1.051 6.219 -9.476 1.00 0.00 C ATOM 748 C ASP A 104 2.491 6.709 -9.365 1.00 0.00 C ATOM 749 O ASP A 104 3.292 6.525 -10.280 1.00 0.00 O ATOM 750 CB ASP A 104 0.105 7.418 -9.522 1.00 0.00 C ATOM 751 CG ASP A 104 0.546 8.391 -10.610 1.00 0.00 C ATOM 752 OD1 ASP A 104 0.591 7.983 -11.758 1.00 0.00 O ATOM 753 OD2 ASP A 104 0.830 9.530 -10.278 1.00 0.00 O ATOM 0 H ASP A 104 -0.027 5.726 -7.744 1.00 0.00 H new ATOM 0 HA ASP A 104 0.945 5.638 -10.392 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -0.913 7.081 -9.716 1.00 0.00 H new ATOM 0 HB3 ASP A 104 0.096 7.921 -8.555 1.00 0.00 H new ATOM 758 N THR A 105 2.809 7.334 -8.238 1.00 0.00 N ATOM 759 CA THR A 105 4.153 7.851 -8.014 1.00 0.00 C ATOM 760 C THR A 105 5.202 6.817 -8.405 1.00 0.00 C ATOM 761 O THR A 105 6.039 7.067 -9.273 1.00 0.00 O ATOM 762 CB THR A 105 4.330 8.227 -6.540 1.00 0.00 C ATOM 763 OG1 THR A 105 3.164 8.897 -6.083 1.00 0.00 O ATOM 764 CG2 THR A 105 5.541 9.149 -6.388 1.00 0.00 C ATOM 0 H THR A 105 2.159 7.495 -7.469 1.00 0.00 H new ATOM 0 HA THR A 105 4.286 8.737 -8.635 1.00 0.00 H new ATOM 0 HB THR A 105 4.488 7.324 -5.950 1.00 0.00 H new ATOM 0 HG1 THR A 105 2.485 8.237 -5.830 1.00 0.00 H new ATOM 0 HG21 THR A 105 5.666 9.416 -5.339 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.436 8.636 -6.741 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.386 10.053 -6.976 1.00 0.00 H new ATOM 772 N ILE A 106 5.159 5.655 -7.759 1.00 0.00 N ATOM 773 CA ILE A 106 6.124 4.600 -8.052 1.00 0.00 C ATOM 774 C ILE A 106 6.056 4.195 -9.520 1.00 0.00 C ATOM 775 O ILE A 106 7.061 3.795 -10.108 1.00 0.00 O ATOM 776 CB ILE A 106 5.860 3.381 -7.170 1.00 0.00 C ATOM 777 CG1 ILE A 106 4.451 2.850 -7.426 1.00 0.00 C ATOM 778 CG2 ILE A 106 5.982 3.782 -5.700 1.00 0.00 C ATOM 779 CD1 ILE A 106 4.210 1.626 -6.542 1.00 0.00 C ATOM 0 H ILE A 106 4.476 5.422 -7.038 1.00 0.00 H new ATOM 0 HA ILE A 106 7.121 4.987 -7.842 1.00 0.00 H new ATOM 0 HB ILE A 106 6.589 2.606 -7.406 1.00 0.00 H new ATOM 0 HG12 ILE A 106 3.713 3.622 -7.209 1.00 0.00 H new ATOM 0 HG13 ILE A 106 4.334 2.584 -8.477 1.00 0.00 H new ATOM 0 HG21 ILE A 106 5.794 2.913 -5.069 1.00 0.00 H new ATOM 0 HG22 ILE A 106 6.986 4.159 -5.508 1.00 0.00 H new ATOM 0 HG23 ILE A 106 5.253 4.560 -5.473 1.00 0.00 H new ATOM 0 HD11 ILE A 106 3.206 1.241 -6.719 1.00 0.00 H new ATOM 0 HD12 ILE A 106 4.942 0.854 -6.782 1.00 0.00 H new ATOM 0 HD13 ILE A 106 4.311 1.909 -5.494 1.00 0.00 H new ATOM 791 N ASN A 107 4.870 4.296 -10.108 1.00 0.00 N ATOM 792 CA ASN A 107 4.697 3.929 -11.508 1.00 0.00 C ATOM 793 C ASN A 107 5.387 4.941 -12.424 1.00 0.00 C ATOM 794 O ASN A 107 5.758 4.614 -13.552 1.00 0.00 O ATOM 795 CB ASN A 107 3.204 3.858 -11.839 1.00 0.00 C ATOM 796 CG ASN A 107 2.720 2.411 -11.800 1.00 0.00 C ATOM 797 OD1 ASN A 107 3.357 1.527 -12.371 1.00 0.00 O ATOM 798 ND2 ASN A 107 1.623 2.118 -11.157 1.00 0.00 N ATOM 0 H ASN A 107 4.023 4.625 -9.644 1.00 0.00 H new ATOM 0 HA ASN A 107 5.153 2.953 -11.672 1.00 0.00 H new ATOM 0 HB2 ASN A 107 2.638 4.457 -11.126 1.00 0.00 H new ATOM 0 HB3 ASN A 107 3.023 4.282 -12.827 1.00 0.00 H new ATOM 0 HD21 ASN A 107 1.292 1.154 -11.127 1.00 0.00 H new ATOM 0 HD22 ASN A 107 1.097 2.853 -10.684 1.00 0.00 H new ATOM 805 N THR A 108 5.554 6.170 -11.939 1.00 0.00 N ATOM 806 CA THR A 108 6.198 7.215 -12.735 1.00 0.00 C ATOM 807 C THR A 108 7.241 7.966 -11.910 1.00 0.00 C ATOM 808 O THR A 108 7.349 9.188 -11.996 1.00 0.00 O ATOM 809 CB THR A 108 5.149 8.205 -13.251 1.00 0.00 C ATOM 810 OG1 THR A 108 5.805 9.321 -13.837 1.00 0.00 O ATOM 811 CG2 THR A 108 4.265 8.683 -12.094 1.00 0.00 C ATOM 0 H THR A 108 5.256 6.465 -11.009 1.00 0.00 H new ATOM 0 HA THR A 108 6.697 6.737 -13.578 1.00 0.00 H new ATOM 0 HB THR A 108 4.525 7.711 -13.995 1.00 0.00 H new ATOM 0 HG1 THR A 108 6.356 9.769 -13.161 1.00 0.00 H new ATOM 0 HG21 THR A 108 3.522 9.386 -12.470 1.00 0.00 H new ATOM 0 HG22 THR A 108 3.760 7.828 -11.645 1.00 0.00 H new ATOM 0 HG23 THR A 108 4.883 9.175 -11.343 1.00 0.00 H new ATOM 819 N SER A 109 8.011 7.224 -11.117 1.00 0.00 N ATOM 820 CA SER A 109 9.052 7.830 -10.285 1.00 0.00 C ATOM 821 C SER A 109 10.407 7.190 -10.570 1.00 0.00 C ATOM 822 O SER A 109 10.505 6.240 -11.348 1.00 0.00 O ATOM 823 CB SER A 109 8.709 7.657 -8.806 1.00 0.00 C ATOM 824 OG SER A 109 9.840 8.003 -8.018 1.00 0.00 O ATOM 0 H SER A 109 7.936 6.210 -11.032 1.00 0.00 H new ATOM 0 HA SER A 109 9.105 8.892 -10.524 1.00 0.00 H new ATOM 0 HB2 SER A 109 7.860 8.288 -8.541 1.00 0.00 H new ATOM 0 HB3 SER A 109 8.414 6.627 -8.607 1.00 0.00 H new ATOM 0 HG SER A 109 9.623 7.895 -7.069 1.00 0.00 H new ATOM 830 N CYS A 110 11.450 7.718 -9.934 1.00 0.00 N ATOM 831 CA CYS A 110 12.798 7.192 -10.127 1.00 0.00 C ATOM 832 C CYS A 110 13.644 7.413 -8.877 1.00 0.00 C ATOM 833 O CYS A 110 14.872 7.454 -8.947 1.00 0.00 O ATOM 834 CB CYS A 110 13.460 7.881 -11.320 1.00 0.00 C ATOM 835 SG CYS A 110 14.941 6.958 -11.804 1.00 0.00 S ATOM 0 H CYS A 110 11.389 8.503 -9.286 1.00 0.00 H new ATOM 0 HA CYS A 110 12.726 6.121 -10.319 1.00 0.00 H new ATOM 0 HB2 CYS A 110 12.762 7.935 -12.156 1.00 0.00 H new ATOM 0 HB3 CYS A 110 13.726 8.906 -11.060 1.00 0.00 H new ATOM 0 HG CYS A 110 15.654 6.697 -10.749 1.00 0.00 H new ATOM 841 N ASP A 111 12.979 7.551 -7.733 1.00 0.00 N ATOM 842 CA ASP A 111 13.679 7.763 -6.468 1.00 0.00 C ATOM 843 C ASP A 111 13.688 6.473 -5.652 1.00 0.00 C ATOM 844 O ASP A 111 12.681 5.776 -5.565 1.00 0.00 O ATOM 845 CB ASP A 111 12.992 8.885 -5.676 1.00 0.00 C ATOM 846 CG ASP A 111 13.674 10.221 -5.956 1.00 0.00 C ATOM 847 OD1 ASP A 111 14.720 10.463 -5.374 1.00 0.00 O ATOM 848 OD2 ASP A 111 13.140 10.982 -6.746 1.00 0.00 O ATOM 0 H ASP A 111 11.962 7.520 -7.655 1.00 0.00 H new ATOM 0 HA ASP A 111 14.709 8.053 -6.675 1.00 0.00 H new ATOM 0 HB2 ASP A 111 11.939 8.941 -5.950 1.00 0.00 H new ATOM 0 HB3 ASP A 111 13.032 8.664 -4.609 1.00 0.00 H new ATOM 853 N ILE A 112 14.835 6.156 -5.068 1.00 0.00 N ATOM 854 CA ILE A 112 14.965 4.939 -4.274 1.00 0.00 C ATOM 855 C ILE A 112 14.200 5.060 -2.960 1.00 0.00 C ATOM 856 O ILE A 112 13.243 4.322 -2.719 1.00 0.00 O ATOM 857 CB ILE A 112 16.443 4.664 -3.987 1.00 0.00 C ATOM 858 CG1 ILE A 112 17.229 4.631 -5.310 1.00 0.00 C ATOM 859 CG2 ILE A 112 16.585 3.324 -3.258 1.00 0.00 C ATOM 860 CD1 ILE A 112 17.158 3.234 -5.933 1.00 0.00 C ATOM 0 H ILE A 112 15.684 6.719 -5.127 1.00 0.00 H new ATOM 0 HA ILE A 112 14.542 4.111 -4.843 1.00 0.00 H new ATOM 0 HB ILE A 112 16.844 5.457 -3.355 1.00 0.00 H new ATOM 0 HG12 ILE A 112 16.821 5.367 -6.002 1.00 0.00 H new ATOM 0 HG13 ILE A 112 18.269 4.905 -5.131 1.00 0.00 H new ATOM 0 HG21 ILE A 112 17.638 3.130 -3.055 1.00 0.00 H new ATOM 0 HG22 ILE A 112 16.035 3.361 -2.318 1.00 0.00 H new ATOM 0 HG23 ILE A 112 16.183 2.526 -3.882 1.00 0.00 H new ATOM 0 HD11 ILE A 112 17.718 3.224 -6.868 1.00 0.00 H new ATOM 0 HD12 ILE A 112 17.588 2.506 -5.245 1.00 0.00 H new ATOM 0 HD13 ILE A 112 16.117 2.976 -6.130 1.00 0.00 H new ATOM 872 N GLU A 113 14.625 5.990 -2.113 1.00 0.00 N ATOM 873 CA GLU A 113 13.970 6.190 -0.825 1.00 0.00 C ATOM 874 C GLU A 113 12.460 6.322 -1.002 1.00 0.00 C ATOM 875 O GLU A 113 11.683 5.691 -0.285 1.00 0.00 O ATOM 876 CB GLU A 113 14.522 7.445 -0.141 1.00 0.00 C ATOM 877 CG GLU A 113 14.687 8.568 -1.169 1.00 0.00 C ATOM 878 CD GLU A 113 15.246 9.816 -0.493 1.00 0.00 C ATOM 879 OE1 GLU A 113 16.019 9.663 0.439 1.00 0.00 O ATOM 880 OE2 GLU A 113 14.894 10.904 -0.916 1.00 0.00 O ATOM 0 H GLU A 113 15.413 6.613 -2.292 1.00 0.00 H new ATOM 0 HA GLU A 113 14.174 5.321 -0.200 1.00 0.00 H new ATOM 0 HB2 GLU A 113 13.847 7.764 0.654 1.00 0.00 H new ATOM 0 HB3 GLU A 113 15.482 7.223 0.326 1.00 0.00 H new ATOM 0 HG2 GLU A 113 15.356 8.246 -1.967 1.00 0.00 H new ATOM 0 HG3 GLU A 113 13.726 8.794 -1.630 1.00 0.00 H new ATOM 887 N LEU A 114 12.050 7.143 -1.963 1.00 0.00 N ATOM 888 CA LEU A 114 10.630 7.350 -2.226 1.00 0.00 C ATOM 889 C LEU A 114 9.955 6.017 -2.538 1.00 0.00 C ATOM 890 O LEU A 114 9.018 5.608 -1.849 1.00 0.00 O ATOM 891 CB LEU A 114 10.469 8.320 -3.409 1.00 0.00 C ATOM 892 CG LEU A 114 8.993 8.700 -3.632 1.00 0.00 C ATOM 893 CD1 LEU A 114 8.208 7.505 -4.186 1.00 0.00 C ATOM 894 CD2 LEU A 114 8.357 9.167 -2.315 1.00 0.00 C ATOM 0 H LEU A 114 12.676 7.673 -2.569 1.00 0.00 H new ATOM 0 HA LEU A 114 10.155 7.778 -1.343 1.00 0.00 H new ATOM 0 HB2 LEU A 114 11.054 9.221 -3.224 1.00 0.00 H new ATOM 0 HB3 LEU A 114 10.868 7.861 -4.314 1.00 0.00 H new ATOM 0 HG LEU A 114 8.957 9.514 -4.356 1.00 0.00 H new ATOM 0 HD11 LEU A 114 7.167 7.792 -4.337 1.00 0.00 H new ATOM 0 HD12 LEU A 114 8.641 7.195 -5.137 1.00 0.00 H new ATOM 0 HD13 LEU A 114 8.257 6.678 -3.478 1.00 0.00 H new ATOM 0 HD21 LEU A 114 7.314 9.432 -2.489 1.00 0.00 H new ATOM 0 HD22 LEU A 114 8.410 8.363 -1.580 1.00 0.00 H new ATOM 0 HD23 LEU A 114 8.895 10.038 -1.940 1.00 0.00 H new ATOM 906 N LEU A 115 10.438 5.345 -3.577 1.00 0.00 N ATOM 907 CA LEU A 115 9.880 4.056 -3.970 1.00 0.00 C ATOM 908 C LEU A 115 9.699 3.164 -2.745 1.00 0.00 C ATOM 909 O LEU A 115 8.637 2.574 -2.545 1.00 0.00 O ATOM 910 CB LEU A 115 10.819 3.364 -4.977 1.00 0.00 C ATOM 911 CG LEU A 115 10.390 3.649 -6.429 1.00 0.00 C ATOM 912 CD1 LEU A 115 9.236 2.720 -6.821 1.00 0.00 C ATOM 913 CD2 LEU A 115 9.951 5.113 -6.588 1.00 0.00 C ATOM 0 H LEU A 115 11.210 5.669 -4.160 1.00 0.00 H new ATOM 0 HA LEU A 115 8.909 4.223 -4.436 1.00 0.00 H new ATOM 0 HB2 LEU A 115 11.841 3.711 -4.823 1.00 0.00 H new ATOM 0 HB3 LEU A 115 10.817 2.289 -4.799 1.00 0.00 H new ATOM 0 HG LEU A 115 11.243 3.468 -7.083 1.00 0.00 H new ATOM 0 HD11 LEU A 115 8.936 2.926 -7.849 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.560 1.683 -6.738 1.00 0.00 H new ATOM 0 HD13 LEU A 115 8.390 2.890 -6.155 1.00 0.00 H new ATOM 0 HD21 LEU A 115 9.652 5.293 -7.621 1.00 0.00 H new ATOM 0 HD22 LEU A 115 9.109 5.314 -5.926 1.00 0.00 H new ATOM 0 HD23 LEU A 115 10.780 5.772 -6.330 1.00 0.00 H new ATOM 925 N ALA A 116 10.743 3.072 -1.929 1.00 0.00 N ATOM 926 CA ALA A 116 10.691 2.250 -0.727 1.00 0.00 C ATOM 927 C ALA A 116 9.559 2.707 0.185 1.00 0.00 C ATOM 928 O ALA A 116 8.759 1.898 0.653 1.00 0.00 O ATOM 929 CB ALA A 116 12.020 2.341 0.024 1.00 0.00 C ATOM 0 H ALA A 116 11.630 3.553 -2.077 1.00 0.00 H new ATOM 0 HA ALA A 116 10.510 1.217 -1.023 1.00 0.00 H new ATOM 0 HB1 ALA A 116 11.974 1.724 0.921 1.00 0.00 H new ATOM 0 HB2 ALA A 116 12.826 1.987 -0.619 1.00 0.00 H new ATOM 0 HB3 ALA A 116 12.209 3.377 0.305 1.00 0.00 H new ATOM 935 N ALA A 117 9.500 4.011 0.433 1.00 0.00 N ATOM 936 CA ALA A 117 8.465 4.571 1.290 1.00 0.00 C ATOM 937 C ALA A 117 7.096 4.019 0.910 1.00 0.00 C ATOM 938 O ALA A 117 6.408 3.415 1.733 1.00 0.00 O ATOM 939 CB ALA A 117 8.457 6.093 1.162 1.00 0.00 C ATOM 0 H ALA A 117 10.154 4.696 0.054 1.00 0.00 H new ATOM 0 HA ALA A 117 8.680 4.292 2.321 1.00 0.00 H new ATOM 0 HB1 ALA A 117 7.681 6.508 1.805 1.00 0.00 H new ATOM 0 HB2 ALA A 117 9.427 6.489 1.463 1.00 0.00 H new ATOM 0 HB3 ALA A 117 8.257 6.370 0.127 1.00 0.00 H new ATOM 945 N CYS A 118 6.706 4.235 -0.341 1.00 0.00 N ATOM 946 CA CYS A 118 5.411 3.755 -0.819 1.00 0.00 C ATOM 947 C CYS A 118 5.254 2.260 -0.551 1.00 0.00 C ATOM 948 O CYS A 118 4.322 1.836 0.133 1.00 0.00 O ATOM 949 CB CYS A 118 5.279 4.018 -2.319 1.00 0.00 C ATOM 950 SG CYS A 118 5.506 5.783 -2.644 1.00 0.00 S ATOM 0 H CYS A 118 7.260 4.734 -1.038 1.00 0.00 H new ATOM 0 HA CYS A 118 4.629 4.292 -0.282 1.00 0.00 H new ATOM 0 HB2 CYS A 118 6.021 3.438 -2.867 1.00 0.00 H new ATOM 0 HB3 CYS A 118 4.299 3.696 -2.671 1.00 0.00 H new ATOM 0 HG CYS A 118 5.189 6.041 -3.878 1.00 0.00 H new ATOM 956 N ARG A 119 6.167 1.468 -1.099 1.00 0.00 N ATOM 957 CA ARG A 119 6.118 0.019 -0.918 1.00 0.00 C ATOM 958 C ARG A 119 5.881 -0.334 0.548 1.00 0.00 C ATOM 959 O ARG A 119 5.081 -1.217 0.862 1.00 0.00 O ATOM 960 CB ARG A 119 7.430 -0.608 -1.398 1.00 0.00 C ATOM 961 CG ARG A 119 7.385 -0.796 -2.916 1.00 0.00 C ATOM 962 CD ARG A 119 8.769 -1.207 -3.423 1.00 0.00 C ATOM 963 NE ARG A 119 8.674 -1.734 -4.779 1.00 0.00 N ATOM 964 CZ ARG A 119 8.360 -0.946 -5.802 1.00 0.00 C ATOM 965 NH1 ARG A 119 8.136 0.323 -5.603 1.00 0.00 N ATOM 966 NH2 ARG A 119 8.279 -1.442 -7.007 1.00 0.00 N ATOM 0 H ARG A 119 6.946 1.799 -1.669 1.00 0.00 H new ATOM 0 HA ARG A 119 5.290 -0.376 -1.507 1.00 0.00 H new ATOM 0 HB2 ARG A 119 8.271 0.030 -1.125 1.00 0.00 H new ATOM 0 HB3 ARG A 119 7.587 -1.569 -0.907 1.00 0.00 H new ATOM 0 HG2 ARG A 119 6.650 -1.558 -3.177 1.00 0.00 H new ATOM 0 HG3 ARG A 119 7.070 0.129 -3.398 1.00 0.00 H new ATOM 0 HD2 ARG A 119 9.440 -0.348 -3.405 1.00 0.00 H new ATOM 0 HD3 ARG A 119 9.197 -1.960 -2.762 1.00 0.00 H new ATOM 0 HE ARG A 119 8.852 -2.725 -4.945 1.00 0.00 H new ATOM 0 HH11 ARG A 119 8.202 0.711 -4.662 1.00 0.00 H new ATOM 0 HH12 ARG A 119 7.895 0.928 -6.388 1.00 0.00 H new ATOM 0 HH21 ARG A 119 8.457 -2.434 -7.163 1.00 0.00 H new ATOM 0 HH22 ARG A 119 8.038 -0.837 -7.792 1.00 0.00 H new ATOM 980 N GLU A 120 6.581 0.357 1.442 1.00 0.00 N ATOM 981 CA GLU A 120 6.437 0.099 2.869 1.00 0.00 C ATOM 982 C GLU A 120 5.011 0.389 3.330 1.00 0.00 C ATOM 983 O GLU A 120 4.414 -0.399 4.065 1.00 0.00 O ATOM 984 CB GLU A 120 7.418 0.964 3.662 1.00 0.00 C ATOM 985 CG GLU A 120 8.846 0.474 3.414 1.00 0.00 C ATOM 986 CD GLU A 120 9.098 -0.814 4.189 1.00 0.00 C ATOM 987 OE1 GLU A 120 8.198 -1.244 4.892 1.00 0.00 O ATOM 988 OE2 GLU A 120 10.185 -1.354 4.067 1.00 0.00 O ATOM 0 H GLU A 120 7.247 1.093 1.206 1.00 0.00 H new ATOM 0 HA GLU A 120 6.656 -0.954 3.048 1.00 0.00 H new ATOM 0 HB2 GLU A 120 7.323 2.008 3.363 1.00 0.00 H new ATOM 0 HB3 GLU A 120 7.185 0.915 4.726 1.00 0.00 H new ATOM 0 HG2 GLU A 120 9.001 0.303 2.349 1.00 0.00 H new ATOM 0 HG3 GLU A 120 9.560 1.238 3.721 1.00 0.00 H new ATOM 995 N GLU A 121 4.468 1.522 2.892 1.00 0.00 N ATOM 996 CA GLU A 121 3.113 1.896 3.271 1.00 0.00 C ATOM 997 C GLU A 121 2.139 0.776 2.921 1.00 0.00 C ATOM 998 O GLU A 121 1.298 0.397 3.736 1.00 0.00 O ATOM 999 CB GLU A 121 2.704 3.191 2.558 1.00 0.00 C ATOM 1000 CG GLU A 121 3.131 4.401 3.394 1.00 0.00 C ATOM 1001 CD GLU A 121 4.650 4.434 3.527 1.00 0.00 C ATOM 1002 OE1 GLU A 121 5.192 3.522 4.128 1.00 0.00 O ATOM 1003 OE2 GLU A 121 5.247 5.370 3.023 1.00 0.00 O ATOM 0 H GLU A 121 4.941 2.189 2.282 1.00 0.00 H new ATOM 0 HA GLU A 121 3.084 2.062 4.348 1.00 0.00 H new ATOM 0 HB2 GLU A 121 3.168 3.236 1.573 1.00 0.00 H new ATOM 0 HB3 GLU A 121 1.625 3.207 2.404 1.00 0.00 H new ATOM 0 HG2 GLU A 121 2.779 5.320 2.925 1.00 0.00 H new ATOM 0 HG3 GLU A 121 2.672 4.351 4.382 1.00 0.00 H new ATOM 1010 N PHE A 122 2.261 0.239 1.709 1.00 0.00 N ATOM 1011 CA PHE A 122 1.384 -0.846 1.286 1.00 0.00 C ATOM 1012 C PHE A 122 1.526 -2.031 2.236 1.00 0.00 C ATOM 1013 O PHE A 122 0.568 -2.424 2.899 1.00 0.00 O ATOM 1014 CB PHE A 122 1.729 -1.303 -0.138 1.00 0.00 C ATOM 1015 CG PHE A 122 1.459 -0.205 -1.148 1.00 0.00 C ATOM 1016 CD1 PHE A 122 0.329 0.621 -1.036 1.00 0.00 C ATOM 1017 CD2 PHE A 122 2.348 -0.023 -2.215 1.00 0.00 C ATOM 1018 CE1 PHE A 122 0.098 1.623 -1.987 1.00 0.00 C ATOM 1019 CE2 PHE A 122 2.112 0.976 -3.164 1.00 0.00 C ATOM 1020 CZ PHE A 122 0.989 1.800 -3.050 1.00 0.00 C ATOM 0 H PHE A 122 2.947 0.532 1.014 1.00 0.00 H new ATOM 0 HA PHE A 122 0.358 -0.477 1.303 1.00 0.00 H new ATOM 0 HB2 PHE A 122 2.778 -1.594 -0.185 1.00 0.00 H new ATOM 0 HB3 PHE A 122 1.142 -2.186 -0.391 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -0.362 0.484 -0.217 1.00 0.00 H new ATOM 0 HD2 PHE A 122 3.218 -0.656 -2.305 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -0.770 2.260 -1.899 1.00 0.00 H new ATOM 0 HE2 PHE A 122 2.799 1.111 -3.987 1.00 0.00 H new ATOM 0 HZ PHE A 122 0.809 2.573 -3.783 1.00 0.00 H new ATOM 1030 N HIS A 123 2.730 -2.592 2.294 1.00 0.00 N ATOM 1031 CA HIS A 123 2.993 -3.735 3.164 1.00 0.00 C ATOM 1032 C HIS A 123 2.282 -3.572 4.503 1.00 0.00 C ATOM 1033 O HIS A 123 1.722 -4.528 5.041 1.00 0.00 O ATOM 1034 CB HIS A 123 4.500 -3.871 3.396 1.00 0.00 C ATOM 1035 CG HIS A 123 4.760 -4.947 4.415 1.00 0.00 C ATOM 1036 ND1 HIS A 123 4.366 -6.263 4.220 1.00 0.00 N ATOM 1037 CD2 HIS A 123 5.373 -4.919 5.643 1.00 0.00 C ATOM 1038 CE1 HIS A 123 4.744 -6.964 5.304 1.00 0.00 C ATOM 1039 NE2 HIS A 123 5.361 -6.192 6.202 1.00 0.00 N ATOM 0 H HIS A 123 3.535 -2.277 1.753 1.00 0.00 H new ATOM 0 HA HIS A 123 2.614 -4.633 2.677 1.00 0.00 H new ATOM 0 HB2 HIS A 123 5.002 -4.115 2.459 1.00 0.00 H new ATOM 0 HB3 HIS A 123 4.912 -2.923 3.741 1.00 0.00 H new ATOM 0 HD2 HIS A 123 5.800 -4.041 6.105 1.00 0.00 H new ATOM 0 HE1 HIS A 123 4.570 -8.022 5.432 1.00 0.00 H new ATOM 0 HE2 HIS A 123 5.742 -6.475 7.105 1.00 0.00 H new ATOM 1047 N ARG A 124 2.311 -2.357 5.041 1.00 0.00 N ATOM 1048 CA ARG A 124 1.671 -2.086 6.322 1.00 0.00 C ATOM 1049 C ARG A 124 0.154 -2.216 6.213 1.00 0.00 C ATOM 1050 O ARG A 124 -0.482 -2.880 7.032 1.00 0.00 O ATOM 1051 CB ARG A 124 2.031 -0.678 6.798 1.00 0.00 C ATOM 1052 CG ARG A 124 3.478 -0.660 7.296 1.00 0.00 C ATOM 1053 CD ARG A 124 3.941 0.786 7.470 1.00 0.00 C ATOM 1054 NE ARG A 124 2.908 1.570 8.138 1.00 0.00 N ATOM 1055 CZ ARG A 124 3.201 2.711 8.753 1.00 0.00 C ATOM 1056 NH1 ARG A 124 4.431 3.148 8.767 1.00 0.00 N ATOM 1057 NH2 ARG A 124 2.260 3.394 9.343 1.00 0.00 N ATOM 0 H ARG A 124 2.767 -1.551 4.614 1.00 0.00 H new ATOM 0 HA ARG A 124 2.031 -2.819 7.043 1.00 0.00 H new ATOM 0 HB2 ARG A 124 1.907 0.035 5.983 1.00 0.00 H new ATOM 0 HB3 ARG A 124 1.357 -0.370 7.597 1.00 0.00 H new ATOM 0 HG2 ARG A 124 3.554 -1.194 8.243 1.00 0.00 H new ATOM 0 HG3 ARG A 124 4.124 -1.177 6.586 1.00 0.00 H new ATOM 0 HD2 ARG A 124 4.862 0.813 8.053 1.00 0.00 H new ATOM 0 HD3 ARG A 124 4.167 1.223 6.497 1.00 0.00 H new ATOM 0 HE ARG A 124 1.944 1.237 8.133 1.00 0.00 H new ATOM 0 HH11 ARG A 124 5.167 2.614 8.306 1.00 0.00 H new ATOM 0 HH12 ARG A 124 4.656 4.024 9.239 1.00 0.00 H new ATOM 0 HH21 ARG A 124 1.299 3.053 9.333 1.00 0.00 H new ATOM 0 HH22 ARG A 124 2.485 4.270 9.815 1.00 0.00 H new ATOM 1071 N ARG A 125 -0.421 -1.573 5.202 1.00 0.00 N ATOM 1072 CA ARG A 125 -1.866 -1.619 5.003 1.00 0.00 C ATOM 1073 C ARG A 125 -2.327 -3.032 4.656 1.00 0.00 C ATOM 1074 O ARG A 125 -3.464 -3.409 4.939 1.00 0.00 O ATOM 1075 CB ARG A 125 -2.269 -0.656 3.886 1.00 0.00 C ATOM 1076 CG ARG A 125 -2.193 0.783 4.399 1.00 0.00 C ATOM 1077 CD ARG A 125 -2.357 1.758 3.232 1.00 0.00 C ATOM 1078 NE ARG A 125 -1.101 1.890 2.503 1.00 0.00 N ATOM 1079 CZ ARG A 125 -1.049 2.513 1.331 1.00 0.00 C ATOM 1080 NH1 ARG A 125 -2.135 3.017 0.812 1.00 0.00 N ATOM 1081 NH2 ARG A 125 0.087 2.620 0.700 1.00 0.00 N ATOM 0 H ARG A 125 0.086 -1.018 4.513 1.00 0.00 H new ATOM 0 HA ARG A 125 -2.347 -1.319 5.934 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -1.610 -0.782 3.027 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -3.280 -0.879 3.547 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -2.972 0.956 5.141 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -1.237 0.952 4.895 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -3.140 1.404 2.561 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -2.673 2.732 3.605 1.00 0.00 H new ATOM 0 HE ARG A 125 -0.248 1.497 2.900 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -3.023 2.932 1.306 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -2.096 3.496 -0.088 1.00 0.00 H new ATOM 0 HH21 ARG A 125 0.935 2.225 1.106 1.00 0.00 H new ATOM 0 HH22 ARG A 125 0.127 3.098 -0.200 1.00 0.00 H new ATOM 1095 N LEU A 126 -1.441 -3.811 4.044 1.00 0.00 N ATOM 1096 CA LEU A 126 -1.778 -5.179 3.668 1.00 0.00 C ATOM 1097 C LEU A 126 -1.887 -6.055 4.914 1.00 0.00 C ATOM 1098 O LEU A 126 -2.885 -6.749 5.108 1.00 0.00 O ATOM 1099 CB LEU A 126 -0.706 -5.747 2.721 1.00 0.00 C ATOM 1100 CG LEU A 126 -1.098 -5.513 1.252 1.00 0.00 C ATOM 1101 CD1 LEU A 126 -2.402 -6.255 0.924 1.00 0.00 C ATOM 1102 CD2 LEU A 126 -1.275 -4.011 0.992 1.00 0.00 C ATOM 0 H LEU A 126 -0.494 -3.522 3.800 1.00 0.00 H new ATOM 0 HA LEU A 126 -2.739 -5.174 3.153 1.00 0.00 H new ATOM 0 HB2 LEU A 126 0.254 -5.274 2.926 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -0.581 -6.814 2.904 1.00 0.00 H new ATOM 0 HG LEU A 126 -0.304 -5.897 0.612 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -2.668 -6.081 -0.119 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -2.264 -7.324 1.089 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -3.201 -5.888 1.568 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -1.553 -3.852 -0.050 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -2.059 -3.620 1.640 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -0.339 -3.493 1.201 1.00 0.00 H new ATOM 1114 N LYS A 127 -0.859 -6.015 5.755 1.00 0.00 N ATOM 1115 CA LYS A 127 -0.862 -6.808 6.979 1.00 0.00 C ATOM 1116 C LYS A 127 -2.054 -6.433 7.852 1.00 0.00 C ATOM 1117 O LYS A 127 -2.745 -7.302 8.385 1.00 0.00 O ATOM 1118 CB LYS A 127 0.437 -6.577 7.757 1.00 0.00 C ATOM 1119 CG LYS A 127 1.611 -7.218 7.005 1.00 0.00 C ATOM 1120 CD LYS A 127 1.530 -8.754 7.106 1.00 0.00 C ATOM 1121 CE LYS A 127 1.305 -9.359 5.715 1.00 0.00 C ATOM 1122 NZ LYS A 127 2.557 -9.247 4.916 1.00 0.00 N ATOM 0 H LYS A 127 -0.022 -5.449 5.614 1.00 0.00 H new ATOM 0 HA LYS A 127 -0.938 -7.861 6.709 1.00 0.00 H new ATOM 0 HB2 LYS A 127 0.612 -5.508 7.882 1.00 0.00 H new ATOM 0 HB3 LYS A 127 0.355 -7.005 8.756 1.00 0.00 H new ATOM 0 HG2 LYS A 127 1.593 -6.913 5.959 1.00 0.00 H new ATOM 0 HG3 LYS A 127 2.555 -6.868 7.422 1.00 0.00 H new ATOM 0 HD2 LYS A 127 2.450 -9.147 7.538 1.00 0.00 H new ATOM 0 HD3 LYS A 127 0.716 -9.041 7.772 1.00 0.00 H new ATOM 0 HE2 LYS A 127 1.011 -10.405 5.805 1.00 0.00 H new ATOM 0 HE3 LYS A 127 0.490 -8.841 5.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 2.538 -9.942 4.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 2.631 -8.289 4.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 3.377 -9.432 5.528 1.00 0.00 H new ATOM 1136 N VAL A 128 -2.294 -5.132 7.987 1.00 0.00 N ATOM 1137 CA VAL A 128 -3.410 -4.650 8.793 1.00 0.00 C ATOM 1138 C VAL A 128 -4.736 -5.022 8.136 1.00 0.00 C ATOM 1139 O VAL A 128 -5.714 -5.329 8.818 1.00 0.00 O ATOM 1140 CB VAL A 128 -3.322 -3.131 8.950 1.00 0.00 C ATOM 1141 CG1 VAL A 128 -4.504 -2.634 9.785 1.00 0.00 C ATOM 1142 CG2 VAL A 128 -2.013 -2.766 9.654 1.00 0.00 C ATOM 0 H VAL A 128 -1.735 -4.398 7.552 1.00 0.00 H new ATOM 0 HA VAL A 128 -3.358 -5.118 9.776 1.00 0.00 H new ATOM 0 HB VAL A 128 -3.350 -2.663 7.966 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -4.441 -1.552 9.897 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -5.437 -2.893 9.285 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -4.477 -3.102 10.769 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -1.950 -1.684 9.766 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -1.986 -3.235 10.638 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -1.170 -3.119 9.060 1.00 0.00 H new ATOM 1152 N TYR A 129 -4.755 -4.996 6.808 1.00 0.00 N ATOM 1153 CA TYR A 129 -5.962 -5.335 6.063 1.00 0.00 C ATOM 1154 C TYR A 129 -6.262 -6.827 6.197 1.00 0.00 C ATOM 1155 O TYR A 129 -7.419 -7.229 6.317 1.00 0.00 O ATOM 1156 CB TYR A 129 -5.773 -4.969 4.586 1.00 0.00 C ATOM 1157 CG TYR A 129 -6.802 -5.680 3.735 1.00 0.00 C ATOM 1158 CD1 TYR A 129 -8.166 -5.475 3.966 1.00 0.00 C ATOM 1159 CD2 TYR A 129 -6.388 -6.544 2.713 1.00 0.00 C ATOM 1160 CE1 TYR A 129 -9.117 -6.132 3.176 1.00 0.00 C ATOM 1161 CE2 TYR A 129 -7.339 -7.201 1.922 1.00 0.00 C ATOM 1162 CZ TYR A 129 -8.704 -6.995 2.154 1.00 0.00 C ATOM 1163 OH TYR A 129 -9.641 -7.643 1.376 1.00 0.00 O ATOM 0 H TYR A 129 -3.954 -4.745 6.228 1.00 0.00 H new ATOM 0 HA TYR A 129 -6.802 -4.772 6.469 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -5.866 -3.891 4.456 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -4.769 -5.244 4.261 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -8.486 -4.810 4.754 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -5.335 -6.704 2.535 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -10.170 -5.973 3.355 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -7.019 -7.866 1.133 1.00 0.00 H new ATOM 0 HH TYR A 129 -9.207 -8.006 0.576 1.00 0.00 H new ATOM 1173 N HIS A 130 -5.211 -7.639 6.181 1.00 0.00 N ATOM 1174 CA HIS A 130 -5.370 -9.083 6.306 1.00 0.00 C ATOM 1175 C HIS A 130 -5.818 -9.449 7.718 1.00 0.00 C ATOM 1176 O HIS A 130 -6.584 -10.392 7.914 1.00 0.00 O ATOM 1177 CB HIS A 130 -4.045 -9.782 5.993 1.00 0.00 C ATOM 1178 CG HIS A 130 -3.805 -9.767 4.508 1.00 0.00 C ATOM 1179 ND1 HIS A 130 -4.673 -10.369 3.611 1.00 0.00 N ATOM 1180 CD2 HIS A 130 -2.797 -9.225 3.746 1.00 0.00 C ATOM 1181 CE1 HIS A 130 -4.178 -10.180 2.375 1.00 0.00 C ATOM 1182 NE2 HIS A 130 -3.036 -9.487 2.400 1.00 0.00 N ATOM 0 H HIS A 130 -4.246 -7.325 6.083 1.00 0.00 H new ATOM 0 HA HIS A 130 -6.130 -9.411 5.597 1.00 0.00 H new ATOM 0 HB2 HIS A 130 -3.227 -9.280 6.509 1.00 0.00 H new ATOM 0 HB3 HIS A 130 -4.069 -10.809 6.357 1.00 0.00 H new ATOM 0 HD1 HIS A 130 -5.532 -10.866 3.846 1.00 0.00 H new ATOM 0 HD2 HIS A 130 -1.949 -8.679 4.133 1.00 0.00 H new ATOM 0 HE1 HIS A 130 -4.646 -10.544 1.472 1.00 0.00 H new ATOM 1190 N ALA A 131 -5.339 -8.690 8.698 1.00 0.00 N ATOM 1191 CA ALA A 131 -5.698 -8.939 10.088 1.00 0.00 C ATOM 1192 C ALA A 131 -7.118 -8.463 10.358 1.00 0.00 C ATOM 1193 O ALA A 131 -7.975 -9.238 10.783 1.00 0.00 O ATOM 1194 CB ALA A 131 -4.725 -8.212 11.018 1.00 0.00 C ATOM 0 H ALA A 131 -4.706 -7.903 8.557 1.00 0.00 H new ATOM 0 HA ALA A 131 -5.641 -10.011 10.277 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -5.001 -8.404 12.055 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -3.712 -8.573 10.839 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -4.768 -7.140 10.823 1.00 0.00 H new ATOM 1200 N TRP A 132 -7.364 -7.183 10.101 1.00 0.00 N ATOM 1201 CA TRP A 132 -8.688 -6.616 10.314 1.00 0.00 C ATOM 1202 C TRP A 132 -9.726 -7.399 9.514 1.00 0.00 C ATOM 1203 O TRP A 132 -10.880 -7.517 9.925 1.00 0.00 O ATOM 1204 CB TRP A 132 -8.697 -5.141 9.890 1.00 0.00 C ATOM 1205 CG TRP A 132 -10.099 -4.694 9.633 1.00 0.00 C ATOM 1206 CD1 TRP A 132 -10.872 -4.005 10.503 1.00 0.00 C ATOM 1207 CD2 TRP A 132 -10.908 -4.895 8.439 1.00 0.00 C ATOM 1208 NE1 TRP A 132 -12.104 -3.770 9.920 1.00 0.00 N ATOM 1209 CE2 TRP A 132 -12.174 -4.301 8.646 1.00 0.00 C ATOM 1210 CE3 TRP A 132 -10.665 -5.532 7.209 1.00 0.00 C ATOM 1211 CZ2 TRP A 132 -13.166 -4.335 7.666 1.00 0.00 C ATOM 1212 CZ3 TRP A 132 -11.661 -5.567 6.220 1.00 0.00 C ATOM 1213 CH2 TRP A 132 -12.910 -4.971 6.448 1.00 0.00 C ATOM 0 H TRP A 132 -6.670 -6.524 9.748 1.00 0.00 H new ATOM 0 HA TRP A 132 -8.938 -6.682 11.373 1.00 0.00 H new ATOM 0 HB2 TRP A 132 -8.248 -4.527 10.670 1.00 0.00 H new ATOM 0 HB3 TRP A 132 -8.093 -5.008 8.992 1.00 0.00 H new ATOM 0 HD1 TRP A 132 -10.575 -3.690 11.492 1.00 0.00 H new ATOM 0 HE1 TRP A 132 -12.866 -3.267 10.374 1.00 0.00 H new ATOM 0 HE3 TRP A 132 -9.708 -5.997 7.024 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 -14.125 -3.873 7.847 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 -11.464 -6.056 5.277 1.00 0.00 H new ATOM 0 HH2 TRP A 132 -13.673 -5.003 5.684 1.00 0.00 H new ATOM 1224 N LYS A 133 -9.305 -7.938 8.373 1.00 0.00 N ATOM 1225 CA LYS A 133 -10.202 -8.712 7.529 1.00 0.00 C ATOM 1226 C LYS A 133 -10.430 -10.098 8.122 1.00 0.00 C ATOM 1227 O LYS A 133 -11.533 -10.639 8.059 1.00 0.00 O ATOM 1228 CB LYS A 133 -9.609 -8.846 6.130 1.00 0.00 C ATOM 1229 CG LYS A 133 -10.489 -9.775 5.292 1.00 0.00 C ATOM 1230 CD LYS A 133 -10.234 -9.522 3.802 1.00 0.00 C ATOM 1231 CE LYS A 133 -10.177 -10.856 3.057 1.00 0.00 C ATOM 1232 NZ LYS A 133 -10.316 -10.617 1.592 1.00 0.00 N ATOM 0 H LYS A 133 -8.354 -7.852 8.016 1.00 0.00 H new ATOM 0 HA LYS A 133 -11.158 -8.193 7.471 1.00 0.00 H new ATOM 0 HB2 LYS A 133 -9.541 -7.867 5.657 1.00 0.00 H new ATOM 0 HB3 LYS A 133 -8.595 -9.243 6.189 1.00 0.00 H new ATOM 0 HG2 LYS A 133 -10.273 -10.815 5.536 1.00 0.00 H new ATOM 0 HG3 LYS A 133 -11.540 -9.605 5.525 1.00 0.00 H new ATOM 0 HD2 LYS A 133 -11.025 -8.897 3.388 1.00 0.00 H new ATOM 0 HD3 LYS A 133 -9.298 -8.980 3.670 1.00 0.00 H new ATOM 0 HE2 LYS A 133 -9.234 -11.360 3.265 1.00 0.00 H new ATOM 0 HE3 LYS A 133 -10.974 -11.513 3.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 -9.644 -11.221 1.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 -11.286 -10.845 1.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 -10.115 -9.618 1.383 1.00 0.00 H new ATOM 1246 N SER A 134 -9.374 -10.667 8.698 1.00 0.00 N ATOM 1247 CA SER A 134 -9.468 -11.992 9.299 1.00 0.00 C ATOM 1248 C SER A 134 -10.437 -11.976 10.477 1.00 0.00 C ATOM 1249 O SER A 134 -11.151 -12.949 10.719 1.00 0.00 O ATOM 1250 CB SER A 134 -8.090 -12.449 9.778 1.00 0.00 C ATOM 1251 OG SER A 134 -8.210 -13.712 10.418 1.00 0.00 O ATOM 0 H SER A 134 -8.452 -10.235 8.761 1.00 0.00 H new ATOM 0 HA SER A 134 -9.838 -12.687 8.545 1.00 0.00 H new ATOM 0 HB2 SER A 134 -7.404 -12.520 8.934 1.00 0.00 H new ATOM 0 HB3 SER A 134 -7.671 -11.717 10.468 1.00 0.00 H new ATOM 0 HG SER A 134 -7.328 -14.008 10.725 1.00 0.00 H new ATOM 1257 N LYS A 135 -10.457 -10.864 11.201 1.00 0.00 N ATOM 1258 CA LYS A 135 -11.343 -10.727 12.352 1.00 0.00 C ATOM 1259 C LYS A 135 -12.744 -10.327 11.895 1.00 0.00 C ATOM 1260 O LYS A 135 -13.742 -10.755 12.474 1.00 0.00 O ATOM 1261 CB LYS A 135 -10.788 -9.673 13.313 1.00 0.00 C ATOM 1262 CG LYS A 135 -9.725 -10.310 14.216 1.00 0.00 C ATOM 1263 CD LYS A 135 -8.944 -9.214 14.953 1.00 0.00 C ATOM 1264 CE LYS A 135 -7.747 -8.771 14.105 1.00 0.00 C ATOM 1265 NZ LYS A 135 -6.666 -9.790 14.203 1.00 0.00 N ATOM 0 H LYS A 135 -9.874 -10.048 11.014 1.00 0.00 H new ATOM 0 HA LYS A 135 -11.402 -11.686 12.867 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -10.354 -8.846 12.751 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -11.594 -9.258 13.919 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -10.199 -10.978 14.935 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -9.043 -10.916 13.619 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -9.595 -8.363 15.153 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -8.600 -9.586 15.918 1.00 0.00 H new ATOM 0 HE2 LYS A 135 -8.050 -8.646 13.066 1.00 0.00 H new ATOM 0 HE3 LYS A 135 -7.382 -7.803 14.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 -5.765 -9.371 13.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 -6.581 -10.112 15.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 -6.896 -10.600 13.593 1.00 0.00 H new