USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=18 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 Single : A 62 THR OG1 : rot 180:sc= -0.145 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 MET CE :methyl -110:sc= -0.717 (180deg=-2.07!) USER MOD Single : A 68 LYS NZ :NH3+ -159:sc= -0.0215 (180deg=-0.303) USER MOD Single : A 70 MET CE :methyl 152:sc= -0.559 (180deg=-0.996) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= -0.633 USER MOD Single : A 92 TYR OH : rot -129:sc= 1.27 USER MOD Single : A 95 SER OG : rot 9:sc= 0.682! USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 85:sc= 0.501 USER MOD Single : A 107 ASN : amide:sc= 0.923 K(o=0.92,f=-0.24) USER MOD Single : A 108 THR OG1 : rot -62:sc= 1.06 USER MOD Single : A 109 SER OG : rot 180:sc= -0.589! USER MOD Single : A 110 CYS SG : rot -42:sc= -0.268 USER MOD Single : A 118 CYS SG : rot 180:sc= 0.00835 USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=-0.0089) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 HIS : no HE2:sc= -1.2 K(o=-1.2,f=-1.7) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 135 LYS NZ :NH3+ -149:sc= -0.0504 (180deg=-1.51) USER MOD ----------------------------------------------------------------- ATOM 78 N THR A 62 -12.326 -2.163 -4.986 1.00 0.00 N ATOM 79 CA THR A 62 -12.566 -3.180 -3.965 1.00 0.00 C ATOM 80 C THR A 62 -11.304 -3.405 -3.131 1.00 0.00 C ATOM 81 O THR A 62 -10.190 -3.296 -3.642 1.00 0.00 O ATOM 82 CB THR A 62 -12.978 -4.496 -4.633 1.00 0.00 C ATOM 83 OG1 THR A 62 -11.814 -5.220 -5.006 1.00 0.00 O ATOM 84 CG2 THR A 62 -13.816 -4.199 -5.877 1.00 0.00 C ATOM 0 HA THR A 62 -13.366 -2.836 -3.310 1.00 0.00 H new ATOM 0 HB THR A 62 -13.568 -5.089 -3.934 1.00 0.00 H new ATOM 0 HG1 THR A 62 -12.076 -6.063 -5.432 1.00 0.00 H new ATOM 0 HG21 THR A 62 -14.108 -5.136 -6.351 1.00 0.00 H new ATOM 0 HG22 THR A 62 -14.709 -3.644 -5.590 1.00 0.00 H new ATOM 0 HG23 THR A 62 -13.229 -3.605 -6.578 1.00 0.00 H new ATOM 92 N PRO A 63 -11.456 -3.712 -1.865 1.00 0.00 N ATOM 93 CA PRO A 63 -10.295 -3.949 -0.955 1.00 0.00 C ATOM 94 C PRO A 63 -9.462 -5.149 -1.397 1.00 0.00 C ATOM 95 O PRO A 63 -8.237 -5.143 -1.278 1.00 0.00 O ATOM 96 CB PRO A 63 -10.937 -4.193 0.419 1.00 0.00 C ATOM 97 CG PRO A 63 -12.357 -4.568 0.141 1.00 0.00 C ATOM 98 CD PRO A 63 -12.740 -3.874 -1.164 1.00 0.00 C ATOM 0 HA PRO A 63 -9.601 -3.108 -0.950 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -10.420 -4.988 0.957 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.883 -3.299 1.041 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -12.462 -5.649 0.051 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -13.009 -4.251 0.955 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -13.440 -4.474 -1.745 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -13.220 -2.913 -0.980 1.00 0.00 H new ATOM 106 N GLU A 64 -10.133 -6.173 -1.914 1.00 0.00 N ATOM 107 CA GLU A 64 -9.442 -7.370 -2.377 1.00 0.00 C ATOM 108 C GLU A 64 -8.639 -7.060 -3.635 1.00 0.00 C ATOM 109 O GLU A 64 -7.539 -7.577 -3.825 1.00 0.00 O ATOM 110 CB GLU A 64 -10.454 -8.479 -2.673 1.00 0.00 C ATOM 111 CG GLU A 64 -9.712 -9.745 -3.102 1.00 0.00 C ATOM 112 CD GLU A 64 -10.688 -10.913 -3.201 1.00 0.00 C ATOM 113 OE1 GLU A 64 -10.904 -11.566 -2.193 1.00 0.00 O ATOM 114 OE2 GLU A 64 -11.205 -11.138 -4.282 1.00 0.00 O ATOM 0 H GLU A 64 -11.147 -6.198 -2.022 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.762 -7.705 -1.594 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -11.058 -8.681 -1.788 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.138 -8.161 -3.460 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.226 -9.583 -4.064 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.926 -9.977 -2.383 1.00 0.00 H new ATOM 121 N GLN A 65 -9.199 -6.210 -4.491 1.00 0.00 N ATOM 122 CA GLN A 65 -8.526 -5.832 -5.727 1.00 0.00 C ATOM 123 C GLN A 65 -7.237 -5.077 -5.422 1.00 0.00 C ATOM 124 O GLN A 65 -6.158 -5.467 -5.869 1.00 0.00 O ATOM 125 CB GLN A 65 -9.447 -4.955 -6.577 1.00 0.00 C ATOM 126 CG GLN A 65 -8.699 -4.485 -7.825 1.00 0.00 C ATOM 127 CD GLN A 65 -9.682 -3.911 -8.839 1.00 0.00 C ATOM 128 OE1 GLN A 65 -9.974 -2.716 -8.813 1.00 0.00 O ATOM 129 NE2 GLN A 65 -10.214 -4.696 -9.735 1.00 0.00 N ATOM 0 H GLN A 65 -10.110 -5.773 -4.352 1.00 0.00 H new ATOM 0 HA GLN A 65 -8.281 -6.739 -6.279 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.337 -5.515 -6.864 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -9.784 -4.096 -5.998 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.962 -3.730 -7.554 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.153 -5.319 -8.267 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -9.970 -5.686 -9.755 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -10.873 -4.319 -10.416 1.00 0.00 H new ATOM 138 N MET A 66 -7.356 -3.997 -4.657 1.00 0.00 N ATOM 139 CA MET A 66 -6.188 -3.199 -4.298 1.00 0.00 C ATOM 140 C MET A 66 -5.169 -4.053 -3.551 1.00 0.00 C ATOM 141 O MET A 66 -3.962 -3.893 -3.726 1.00 0.00 O ATOM 142 CB MET A 66 -6.608 -2.015 -3.423 1.00 0.00 C ATOM 143 CG MET A 66 -7.331 -2.528 -2.180 1.00 0.00 C ATOM 144 SD MET A 66 -7.893 -1.123 -1.183 1.00 0.00 S ATOM 145 CE MET A 66 -9.077 -0.441 -2.371 1.00 0.00 C ATOM 0 H MET A 66 -8.239 -3.656 -4.277 1.00 0.00 H new ATOM 0 HA MET A 66 -5.731 -2.824 -5.214 1.00 0.00 H new ATOM 0 HB2 MET A 66 -5.732 -1.435 -3.133 1.00 0.00 H new ATOM 0 HB3 MET A 66 -7.260 -1.347 -3.986 1.00 0.00 H new ATOM 0 HG2 MET A 66 -8.182 -3.145 -2.470 1.00 0.00 H new ATOM 0 HG3 MET A 66 -6.664 -3.160 -1.593 1.00 0.00 H new ATOM 0 HE1 MET A 66 -8.696 0.502 -2.764 1.00 0.00 H new ATOM 0 HE2 MET A 66 -9.217 -1.146 -3.191 1.00 0.00 H new ATOM 0 HE3 MET A 66 -10.032 -0.268 -1.875 1.00 0.00 H new ATOM 155 N ALA A 67 -5.665 -4.964 -2.719 1.00 0.00 N ATOM 156 CA ALA A 67 -4.789 -5.841 -1.950 1.00 0.00 C ATOM 157 C ALA A 67 -3.974 -6.731 -2.879 1.00 0.00 C ATOM 158 O ALA A 67 -2.794 -6.987 -2.636 1.00 0.00 O ATOM 159 CB ALA A 67 -5.621 -6.711 -1.005 1.00 0.00 C ATOM 0 H ALA A 67 -6.661 -5.114 -2.561 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.106 -5.223 -1.367 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.960 -7.363 -0.434 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.181 -6.073 -0.321 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.316 -7.317 -1.586 1.00 0.00 H new ATOM 165 N LYS A 68 -4.612 -7.198 -3.946 1.00 0.00 N ATOM 166 CA LYS A 68 -3.940 -8.060 -4.909 1.00 0.00 C ATOM 167 C LYS A 68 -2.887 -7.277 -5.690 1.00 0.00 C ATOM 168 O LYS A 68 -1.754 -7.732 -5.850 1.00 0.00 O ATOM 169 CB LYS A 68 -4.965 -8.649 -5.881 1.00 0.00 C ATOM 170 CG LYS A 68 -5.720 -9.792 -5.197 1.00 0.00 C ATOM 171 CD LYS A 68 -6.823 -10.303 -6.126 1.00 0.00 C ATOM 172 CE LYS A 68 -7.358 -11.635 -5.596 1.00 0.00 C ATOM 173 NZ LYS A 68 -6.359 -12.710 -5.852 1.00 0.00 N ATOM 0 H LYS A 68 -5.587 -6.996 -4.165 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.446 -8.865 -4.366 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.665 -7.877 -6.200 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.464 -9.015 -6.777 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.032 -10.601 -4.952 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.152 -9.446 -4.258 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.630 -9.573 -6.186 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.433 -10.431 -7.136 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.560 -11.559 -4.528 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.303 -11.879 -6.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.832 -13.636 -5.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.924 -12.564 -6.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.622 -12.681 -5.118 1.00 0.00 H new ATOM 187 N GLU A 69 -3.269 -6.098 -6.173 1.00 0.00 N ATOM 188 CA GLU A 69 -2.350 -5.261 -6.940 1.00 0.00 C ATOM 189 C GLU A 69 -1.168 -4.824 -6.081 1.00 0.00 C ATOM 190 O GLU A 69 -0.036 -4.745 -6.560 1.00 0.00 O ATOM 191 CB GLU A 69 -3.087 -4.026 -7.465 1.00 0.00 C ATOM 192 CG GLU A 69 -4.156 -4.457 -8.470 1.00 0.00 C ATOM 193 CD GLU A 69 -3.497 -4.992 -9.736 1.00 0.00 C ATOM 194 OE1 GLU A 69 -2.994 -4.189 -10.503 1.00 0.00 O ATOM 195 OE2 GLU A 69 -3.504 -6.199 -9.919 1.00 0.00 O ATOM 0 H GLU A 69 -4.201 -5.702 -6.049 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.973 -5.846 -7.779 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.547 -3.486 -6.638 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.382 -3.343 -7.939 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.792 -5.224 -8.029 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.799 -3.611 -8.714 1.00 0.00 H new ATOM 202 N MET A 70 -1.433 -4.541 -4.811 1.00 0.00 N ATOM 203 CA MET A 70 -0.375 -4.115 -3.904 1.00 0.00 C ATOM 204 C MET A 70 0.559 -5.284 -3.599 1.00 0.00 C ATOM 205 O MET A 70 1.763 -5.209 -3.844 1.00 0.00 O ATOM 206 CB MET A 70 -0.981 -3.590 -2.598 1.00 0.00 C ATOM 207 CG MET A 70 -1.509 -2.168 -2.800 1.00 0.00 C ATOM 208 SD MET A 70 -1.873 -1.425 -1.188 1.00 0.00 S ATOM 209 CE MET A 70 -3.531 -2.119 -0.971 1.00 0.00 C ATOM 0 H MET A 70 -2.360 -4.598 -4.390 1.00 0.00 H new ATOM 0 HA MET A 70 0.193 -3.318 -4.383 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.790 -4.245 -2.274 1.00 0.00 H new ATOM 0 HB3 MET A 70 -0.229 -3.599 -1.809 1.00 0.00 H new ATOM 0 HG2 MET A 70 -0.771 -1.567 -3.331 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.408 -2.186 -3.415 1.00 0.00 H new ATOM 0 HE1 MET A 70 -3.746 -2.221 0.093 1.00 0.00 H new ATOM 0 HE2 MET A 70 -4.266 -1.456 -1.428 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.581 -3.098 -1.447 1.00 0.00 H new ATOM 219 N SER A 71 -0.005 -6.356 -3.059 1.00 0.00 N ATOM 220 CA SER A 71 0.784 -7.535 -2.718 1.00 0.00 C ATOM 221 C SER A 71 1.728 -7.913 -3.855 1.00 0.00 C ATOM 222 O SER A 71 2.940 -8.009 -3.660 1.00 0.00 O ATOM 223 CB SER A 71 -0.143 -8.710 -2.408 1.00 0.00 C ATOM 224 OG SER A 71 0.597 -9.922 -2.474 1.00 0.00 O ATOM 0 H SER A 71 -1.000 -6.435 -2.848 1.00 0.00 H new ATOM 0 HA SER A 71 1.383 -7.299 -1.838 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.581 -8.591 -1.417 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.968 -8.735 -3.120 1.00 0.00 H new ATOM 0 HG SER A 71 0.006 -10.678 -2.274 1.00 0.00 H new ATOM 230 N GLU A 72 1.170 -8.134 -5.043 1.00 0.00 N ATOM 231 CA GLU A 72 1.987 -8.508 -6.191 1.00 0.00 C ATOM 232 C GLU A 72 3.028 -7.430 -6.486 1.00 0.00 C ATOM 233 O GLU A 72 4.188 -7.739 -6.754 1.00 0.00 O ATOM 234 CB GLU A 72 1.105 -8.737 -7.422 1.00 0.00 C ATOM 235 CG GLU A 72 0.500 -7.411 -7.881 1.00 0.00 C ATOM 236 CD GLU A 72 -0.556 -7.665 -8.952 1.00 0.00 C ATOM 237 OE1 GLU A 72 -1.338 -8.584 -8.779 1.00 0.00 O ATOM 238 OE2 GLU A 72 -0.568 -6.932 -9.929 1.00 0.00 O ATOM 0 H GLU A 72 0.171 -8.062 -5.233 1.00 0.00 H new ATOM 0 HA GLU A 72 2.506 -9.436 -5.952 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.695 -9.176 -8.227 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.312 -9.446 -7.185 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.053 -6.892 -7.033 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.282 -6.762 -8.275 1.00 0.00 H new ATOM 245 N PHE A 73 2.613 -6.167 -6.430 1.00 0.00 N ATOM 246 CA PHE A 73 3.536 -5.067 -6.694 1.00 0.00 C ATOM 247 C PHE A 73 4.832 -5.268 -5.913 1.00 0.00 C ATOM 248 O PHE A 73 5.920 -5.280 -6.491 1.00 0.00 O ATOM 249 CB PHE A 73 2.890 -3.729 -6.299 1.00 0.00 C ATOM 250 CG PHE A 73 2.579 -2.921 -7.540 1.00 0.00 C ATOM 251 CD1 PHE A 73 1.766 -3.462 -8.542 1.00 0.00 C ATOM 252 CD2 PHE A 73 3.105 -1.630 -7.688 1.00 0.00 C ATOM 253 CE1 PHE A 73 1.478 -2.715 -9.691 1.00 0.00 C ATOM 254 CE2 PHE A 73 2.816 -0.883 -8.836 1.00 0.00 C ATOM 255 CZ PHE A 73 2.003 -1.426 -9.838 1.00 0.00 C ATOM 0 H PHE A 73 1.659 -5.883 -6.208 1.00 0.00 H new ATOM 0 HA PHE A 73 3.764 -5.050 -7.760 1.00 0.00 H new ATOM 0 HB2 PHE A 73 1.976 -3.910 -5.733 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.562 -3.169 -5.649 1.00 0.00 H new ATOM 0 HD1 PHE A 73 1.360 -4.456 -8.429 1.00 0.00 H new ATOM 0 HD2 PHE A 73 3.734 -1.212 -6.916 1.00 0.00 H new ATOM 0 HE1 PHE A 73 0.851 -3.134 -10.464 1.00 0.00 H new ATOM 0 HE2 PHE A 73 3.220 0.112 -8.949 1.00 0.00 H new ATOM 0 HZ PHE A 73 1.781 -0.850 -10.724 1.00 0.00 H new ATOM 265 N LEU A 74 4.712 -5.427 -4.598 1.00 0.00 N ATOM 266 CA LEU A 74 5.885 -5.629 -3.754 1.00 0.00 C ATOM 267 C LEU A 74 6.659 -6.864 -4.202 1.00 0.00 C ATOM 268 O LEU A 74 7.875 -6.814 -4.382 1.00 0.00 O ATOM 269 CB LEU A 74 5.466 -5.793 -2.291 1.00 0.00 C ATOM 270 CG LEU A 74 4.453 -4.710 -1.913 1.00 0.00 C ATOM 271 CD1 LEU A 74 4.197 -4.757 -0.406 1.00 0.00 C ATOM 272 CD2 LEU A 74 5.007 -3.333 -2.291 1.00 0.00 C ATOM 0 H LEU A 74 3.823 -5.420 -4.098 1.00 0.00 H new ATOM 0 HA LEU A 74 6.526 -4.753 -3.848 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.030 -6.780 -2.137 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.341 -5.727 -1.644 1.00 0.00 H new ATOM 0 HG LEU A 74 3.520 -4.885 -2.449 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.476 -3.986 -0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.801 -5.736 -0.135 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.131 -4.583 0.127 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.284 -2.563 -2.021 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.941 -3.157 -1.757 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.191 -3.297 -3.365 1.00 0.00 H new ATOM 284 N SER A 75 5.946 -7.972 -4.378 1.00 0.00 N ATOM 285 CA SER A 75 6.580 -9.214 -4.801 1.00 0.00 C ATOM 286 C SER A 75 7.449 -8.977 -6.036 1.00 0.00 C ATOM 287 O SER A 75 8.601 -9.407 -6.085 1.00 0.00 O ATOM 288 CB SER A 75 5.510 -10.268 -5.110 1.00 0.00 C ATOM 289 OG SER A 75 5.614 -10.671 -6.469 1.00 0.00 O ATOM 0 H SER A 75 4.938 -8.035 -4.236 1.00 0.00 H new ATOM 0 HA SER A 75 7.215 -9.574 -3.992 1.00 0.00 H new ATOM 0 HB2 SER A 75 5.635 -11.130 -4.454 1.00 0.00 H new ATOM 0 HB3 SER A 75 4.518 -9.861 -4.916 1.00 0.00 H new ATOM 0 HG SER A 75 4.930 -11.346 -6.663 1.00 0.00 H new ATOM 295 N ARG A 76 6.890 -8.289 -7.028 1.00 0.00 N ATOM 296 CA ARG A 76 7.628 -8.002 -8.253 1.00 0.00 C ATOM 297 C ARG A 76 8.847 -7.136 -7.945 1.00 0.00 C ATOM 298 O ARG A 76 9.950 -7.409 -8.415 1.00 0.00 O ATOM 299 CB ARG A 76 6.717 -7.271 -9.247 1.00 0.00 C ATOM 300 CG ARG A 76 6.032 -8.281 -10.170 1.00 0.00 C ATOM 301 CD ARG A 76 5.104 -9.181 -9.355 1.00 0.00 C ATOM 302 NE ARG A 76 4.508 -10.200 -10.213 1.00 0.00 N ATOM 303 CZ ARG A 76 3.541 -9.894 -11.072 1.00 0.00 C ATOM 304 NH1 ARG A 76 3.112 -8.665 -11.161 1.00 0.00 N ATOM 305 NH2 ARG A 76 3.024 -10.822 -11.828 1.00 0.00 N ATOM 0 H ARG A 76 5.938 -7.923 -7.008 1.00 0.00 H new ATOM 0 HA ARG A 76 7.963 -8.943 -8.690 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.967 -6.692 -8.708 1.00 0.00 H new ATOM 0 HB3 ARG A 76 7.301 -6.565 -9.837 1.00 0.00 H new ATOM 0 HG2 ARG A 76 5.463 -7.758 -10.939 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.781 -8.885 -10.683 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.662 -9.656 -8.548 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.320 -8.582 -8.891 1.00 0.00 H new ATOM 0 HE ARG A 76 4.839 -11.163 -10.152 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.519 -7.939 -10.571 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.370 -8.430 -11.820 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.362 -11.782 -11.760 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.282 -10.588 -12.487 1.00 0.00 H new ATOM 526 N TYR A 92 10.109 9.098 5.277 1.00 0.00 N ATOM 527 CA TYR A 92 9.076 9.634 4.396 1.00 0.00 C ATOM 528 C TYR A 92 7.689 9.263 4.910 1.00 0.00 C ATOM 529 O TYR A 92 7.317 8.090 4.934 1.00 0.00 O ATOM 530 CB TYR A 92 9.261 9.075 2.979 1.00 0.00 C ATOM 531 CG TYR A 92 10.288 9.897 2.235 1.00 0.00 C ATOM 532 CD1 TYR A 92 9.907 11.091 1.611 1.00 0.00 C ATOM 533 CD2 TYR A 92 11.617 9.465 2.169 1.00 0.00 C ATOM 534 CE1 TYR A 92 10.856 11.852 0.919 1.00 0.00 C ATOM 535 CE2 TYR A 92 12.566 10.226 1.477 1.00 0.00 C ATOM 536 CZ TYR A 92 12.187 11.420 0.852 1.00 0.00 C ATOM 537 OH TYR A 92 13.123 12.171 0.171 1.00 0.00 O ATOM 0 HA TYR A 92 9.167 10.720 4.377 1.00 0.00 H new ATOM 0 HB2 TYR A 92 9.581 8.034 3.028 1.00 0.00 H new ATOM 0 HB3 TYR A 92 8.311 9.092 2.444 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.881 11.425 1.664 1.00 0.00 H new ATOM 0 HD2 TYR A 92 11.910 8.545 2.652 1.00 0.00 H new ATOM 0 HE1 TYR A 92 10.562 12.772 0.437 1.00 0.00 H new ATOM 0 HE2 TYR A 92 13.592 9.892 1.425 1.00 0.00 H new ATOM 0 HH TYR A 92 13.604 11.598 -0.463 1.00 0.00 H new ATOM 547 N ASP A 93 6.926 10.273 5.320 1.00 0.00 N ATOM 548 CA ASP A 93 5.577 10.042 5.829 1.00 0.00 C ATOM 549 C ASP A 93 4.545 10.288 4.734 1.00 0.00 C ATOM 550 O ASP A 93 4.130 11.425 4.505 1.00 0.00 O ATOM 551 CB ASP A 93 5.300 10.973 7.013 1.00 0.00 C ATOM 552 CG ASP A 93 6.482 10.957 7.976 1.00 0.00 C ATOM 553 OD1 ASP A 93 7.156 9.942 8.039 1.00 0.00 O ATOM 554 OD2 ASP A 93 6.695 11.960 8.637 1.00 0.00 O ATOM 0 H ASP A 93 7.215 11.251 5.310 1.00 0.00 H new ATOM 0 HA ASP A 93 5.503 9.005 6.157 1.00 0.00 H new ATOM 0 HB2 ASP A 93 5.125 11.988 6.655 1.00 0.00 H new ATOM 0 HB3 ASP A 93 4.394 10.657 7.531 1.00 0.00 H new ATOM 559 N LEU A 94 4.137 9.217 4.061 1.00 0.00 N ATOM 560 CA LEU A 94 3.151 9.327 2.988 1.00 0.00 C ATOM 561 C LEU A 94 1.762 8.957 3.497 1.00 0.00 C ATOM 562 O LEU A 94 0.867 8.638 2.713 1.00 0.00 O ATOM 563 CB LEU A 94 3.531 8.402 1.830 1.00 0.00 C ATOM 564 CG LEU A 94 5.034 8.498 1.556 1.00 0.00 C ATOM 565 CD1 LEU A 94 5.408 7.546 0.414 1.00 0.00 C ATOM 566 CD2 LEU A 94 5.389 9.933 1.159 1.00 0.00 C ATOM 0 H LEU A 94 4.470 8.269 4.236 1.00 0.00 H new ATOM 0 HA LEU A 94 3.137 10.360 2.640 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.262 7.374 2.071 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.972 8.676 0.936 1.00 0.00 H new ATOM 0 HG LEU A 94 5.585 8.222 2.455 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.478 7.614 0.219 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.155 6.524 0.695 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.857 7.822 -0.485 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.459 10.002 0.964 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.837 10.209 0.260 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.124 10.611 1.970 1.00 0.00 H new ATOM 578 N SER A 95 1.587 8.999 4.814 1.00 0.00 N ATOM 579 CA SER A 95 0.303 8.661 5.418 1.00 0.00 C ATOM 580 C SER A 95 -0.779 9.639 4.969 1.00 0.00 C ATOM 581 O SER A 95 -1.945 9.500 5.338 1.00 0.00 O ATOM 582 CB SER A 95 0.419 8.692 6.941 1.00 0.00 C ATOM 583 OG SER A 95 -0.879 8.791 7.510 1.00 0.00 O ATOM 0 H SER A 95 2.313 9.262 5.480 1.00 0.00 H new ATOM 0 HA SER A 95 0.025 7.658 5.094 1.00 0.00 H new ATOM 0 HB2 SER A 95 0.917 7.790 7.297 1.00 0.00 H new ATOM 0 HB3 SER A 95 1.031 9.538 7.253 1.00 0.00 H new ATOM 0 HG SER A 95 -1.553 8.673 6.809 1.00 0.00 H new ATOM 589 N LYS A 96 -0.385 10.630 4.173 1.00 0.00 N ATOM 590 CA LYS A 96 -1.331 11.629 3.680 1.00 0.00 C ATOM 591 C LYS A 96 -1.606 11.422 2.193 1.00 0.00 C ATOM 592 O LYS A 96 -2.356 12.183 1.581 1.00 0.00 O ATOM 593 CB LYS A 96 -0.766 13.033 3.904 1.00 0.00 C ATOM 594 CG LYS A 96 -0.299 13.169 5.355 1.00 0.00 C ATOM 595 CD LYS A 96 0.057 14.629 5.642 1.00 0.00 C ATOM 596 CE LYS A 96 0.740 14.731 7.006 1.00 0.00 C ATOM 597 NZ LYS A 96 1.223 16.124 7.218 1.00 0.00 N ATOM 0 H LYS A 96 0.576 10.763 3.857 1.00 0.00 H new ATOM 0 HA LYS A 96 -2.266 11.519 4.229 1.00 0.00 H new ATOM 0 HB2 LYS A 96 0.067 13.214 3.224 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.526 13.782 3.684 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -1.084 12.835 6.034 1.00 0.00 H new ATOM 0 HG3 LYS A 96 0.567 12.531 5.531 1.00 0.00 H new ATOM 0 HD2 LYS A 96 0.717 15.013 4.864 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -0.843 15.243 5.628 1.00 0.00 H new ATOM 0 HE2 LYS A 96 0.042 14.453 7.796 1.00 0.00 H new ATOM 0 HE3 LYS A 96 1.576 14.033 7.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 1.688 16.193 8.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 1.903 16.373 6.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.417 16.780 7.185 1.00 0.00 H new ATOM 611 N TRP A 97 -0.995 10.390 1.620 1.00 0.00 N ATOM 612 CA TRP A 97 -1.180 10.094 0.202 1.00 0.00 C ATOM 613 C TRP A 97 -2.343 9.127 0.003 1.00 0.00 C ATOM 614 O TRP A 97 -2.917 8.624 0.969 1.00 0.00 O ATOM 615 CB TRP A 97 0.097 9.478 -0.373 1.00 0.00 C ATOM 616 CG TRP A 97 1.176 10.511 -0.425 1.00 0.00 C ATOM 617 CD1 TRP A 97 1.604 11.245 0.629 1.00 0.00 C ATOM 618 CD2 TRP A 97 1.974 10.934 -1.569 1.00 0.00 C ATOM 619 NE1 TRP A 97 2.614 12.090 0.203 1.00 0.00 N ATOM 620 CE2 TRP A 97 2.878 11.936 -1.142 1.00 0.00 C ATOM 621 CE3 TRP A 97 2.002 10.548 -2.920 1.00 0.00 C ATOM 622 CZ2 TRP A 97 3.775 12.534 -2.027 1.00 0.00 C ATOM 623 CZ3 TRP A 97 2.904 11.148 -3.813 1.00 0.00 C ATOM 624 CH2 TRP A 97 3.790 12.138 -3.366 1.00 0.00 C ATOM 0 H TRP A 97 -0.372 9.748 2.110 1.00 0.00 H new ATOM 0 HA TRP A 97 -1.402 11.026 -0.318 1.00 0.00 H new ATOM 0 HB2 TRP A 97 0.415 8.637 0.242 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -0.094 9.088 -1.373 1.00 0.00 H new ATOM 0 HD1 TRP A 97 1.220 11.182 1.637 1.00 0.00 H new ATOM 0 HE1 TRP A 97 3.104 12.747 0.810 1.00 0.00 H new ATOM 0 HE3 TRP A 97 1.325 9.785 -3.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 4.454 13.299 -1.679 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 2.915 10.845 -4.850 1.00 0.00 H new ATOM 0 HH2 TRP A 97 4.484 12.594 -4.057 1.00 0.00 H new ATOM 635 N LYS A 98 -2.682 8.871 -1.258 1.00 0.00 N ATOM 636 CA LYS A 98 -3.778 7.960 -1.584 1.00 0.00 C ATOM 637 C LYS A 98 -3.253 6.742 -2.338 1.00 0.00 C ATOM 638 O LYS A 98 -2.135 6.754 -2.851 1.00 0.00 O ATOM 639 CB LYS A 98 -4.821 8.680 -2.443 1.00 0.00 C ATOM 640 CG LYS A 98 -5.105 10.066 -1.856 1.00 0.00 C ATOM 641 CD LYS A 98 -5.681 9.917 -0.445 1.00 0.00 C ATOM 642 CE LYS A 98 -6.340 11.232 -0.020 1.00 0.00 C ATOM 643 NZ LYS A 98 -6.554 11.225 1.455 1.00 0.00 N ATOM 0 H LYS A 98 -2.216 9.279 -2.068 1.00 0.00 H new ATOM 0 HA LYS A 98 -4.239 7.630 -0.653 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -4.460 8.775 -3.467 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.740 8.096 -2.482 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -4.188 10.654 -1.825 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -5.808 10.605 -2.492 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -6.411 9.108 -0.423 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.890 9.651 0.256 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -5.710 12.075 -0.303 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -7.292 11.358 -0.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -7.002 12.118 1.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -7.171 10.429 1.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -5.639 11.124 1.938 1.00 0.00 H new ATOM 657 N TYR A 99 -4.067 5.695 -2.397 1.00 0.00 N ATOM 658 CA TYR A 99 -3.675 4.471 -3.090 1.00 0.00 C ATOM 659 C TYR A 99 -3.285 4.771 -4.537 1.00 0.00 C ATOM 660 O TYR A 99 -2.284 4.258 -5.039 1.00 0.00 O ATOM 661 CB TYR A 99 -4.835 3.470 -3.061 1.00 0.00 C ATOM 662 CG TYR A 99 -4.541 2.307 -3.985 1.00 0.00 C ATOM 663 CD1 TYR A 99 -3.394 1.530 -3.789 1.00 0.00 C ATOM 664 CD2 TYR A 99 -5.418 2.007 -5.036 1.00 0.00 C ATOM 665 CE1 TYR A 99 -3.121 0.454 -4.643 1.00 0.00 C ATOM 666 CE2 TYR A 99 -5.146 0.931 -5.889 1.00 0.00 C ATOM 667 CZ TYR A 99 -3.998 0.154 -5.693 1.00 0.00 C ATOM 668 OH TYR A 99 -3.730 -0.906 -6.534 1.00 0.00 O ATOM 0 H TYR A 99 -4.996 5.667 -1.977 1.00 0.00 H new ATOM 0 HA TYR A 99 -2.811 4.043 -2.582 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -4.988 3.107 -2.044 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -5.758 3.962 -3.366 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -2.719 1.760 -2.978 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -6.304 2.606 -5.188 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -2.235 -0.144 -4.492 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -5.822 0.700 -6.699 1.00 0.00 H new ATOM 0 HH TYR A 99 -4.439 -0.977 -7.207 1.00 0.00 H new ATOM 678 N ALA A 100 -4.084 5.601 -5.199 1.00 0.00 N ATOM 679 CA ALA A 100 -3.821 5.960 -6.589 1.00 0.00 C ATOM 680 C ALA A 100 -2.561 6.812 -6.703 1.00 0.00 C ATOM 681 O ALA A 100 -1.778 6.661 -7.642 1.00 0.00 O ATOM 682 CB ALA A 100 -5.010 6.733 -7.160 1.00 0.00 C ATOM 0 H ALA A 100 -4.915 6.036 -4.799 1.00 0.00 H new ATOM 0 HA ALA A 100 -3.673 5.041 -7.155 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -4.807 6.998 -8.198 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -5.905 6.112 -7.112 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -5.167 7.641 -6.578 1.00 0.00 H new ATOM 688 N GLU A 101 -2.371 7.710 -5.743 1.00 0.00 N ATOM 689 CA GLU A 101 -1.206 8.586 -5.748 1.00 0.00 C ATOM 690 C GLU A 101 0.074 7.784 -5.532 1.00 0.00 C ATOM 691 O GLU A 101 1.058 7.965 -6.248 1.00 0.00 O ATOM 692 CB GLU A 101 -1.342 9.640 -4.646 1.00 0.00 C ATOM 693 CG GLU A 101 -2.613 10.463 -4.875 1.00 0.00 C ATOM 694 CD GLU A 101 -2.342 11.578 -5.882 1.00 0.00 C ATOM 695 OE1 GLU A 101 -1.710 12.549 -5.503 1.00 0.00 O ATOM 696 OE2 GLU A 101 -2.772 11.442 -7.015 1.00 0.00 O ATOM 0 H GLU A 101 -3.005 7.850 -4.956 1.00 0.00 H new ATOM 0 HA GLU A 101 -1.151 9.078 -6.719 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.381 9.157 -3.670 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.469 10.293 -4.644 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.412 9.818 -5.241 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.954 10.889 -3.932 1.00 0.00 H new ATOM 703 N LEU A 102 0.050 6.901 -4.541 1.00 0.00 N ATOM 704 CA LEU A 102 1.214 6.077 -4.236 1.00 0.00 C ATOM 705 C LEU A 102 1.576 5.190 -5.423 1.00 0.00 C ATOM 706 O LEU A 102 2.657 5.321 -6.000 1.00 0.00 O ATOM 707 CB LEU A 102 0.927 5.209 -3.010 1.00 0.00 C ATOM 708 CG LEU A 102 0.778 6.094 -1.768 1.00 0.00 C ATOM 709 CD1 LEU A 102 0.308 5.240 -0.589 1.00 0.00 C ATOM 710 CD2 LEU A 102 2.123 6.747 -1.424 1.00 0.00 C ATOM 0 H LEU A 102 -0.757 6.737 -3.938 1.00 0.00 H new ATOM 0 HA LEU A 102 2.057 6.735 -4.027 1.00 0.00 H new ATOM 0 HB2 LEU A 102 0.016 4.632 -3.167 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.736 4.494 -2.863 1.00 0.00 H new ATOM 0 HG LEU A 102 0.045 6.875 -1.971 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.201 5.868 0.296 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -0.653 4.786 -0.829 1.00 0.00 H new ATOM 0 HD13 LEU A 102 1.040 4.457 -0.392 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.007 7.374 -0.540 1.00 0.00 H new ATOM 0 HD22 LEU A 102 2.863 5.972 -1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 102 2.455 7.359 -2.262 1.00 0.00 H new ATOM 722 N ARG A 103 0.672 4.282 -5.782 1.00 0.00 N ATOM 723 CA ARG A 103 0.920 3.381 -6.901 1.00 0.00 C ATOM 724 C ARG A 103 1.361 4.168 -8.132 1.00 0.00 C ATOM 725 O ARG A 103 2.243 3.736 -8.878 1.00 0.00 O ATOM 726 CB ARG A 103 -0.344 2.576 -7.222 1.00 0.00 C ATOM 727 CG ARG A 103 -1.398 3.494 -7.839 1.00 0.00 C ATOM 728 CD ARG A 103 -2.738 2.756 -7.912 1.00 0.00 C ATOM 729 NE ARG A 103 -3.613 3.394 -8.889 1.00 0.00 N ATOM 730 CZ ARG A 103 -4.696 2.775 -9.348 1.00 0.00 C ATOM 731 NH1 ARG A 103 -4.990 1.576 -8.926 1.00 0.00 N ATOM 732 NH2 ARG A 103 -5.465 3.366 -10.221 1.00 0.00 N ATOM 0 H ARG A 103 -0.228 4.152 -5.320 1.00 0.00 H new ATOM 0 HA ARG A 103 1.718 2.693 -6.620 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -0.105 1.766 -7.911 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -0.735 2.117 -6.314 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.502 4.400 -7.241 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -1.087 3.804 -8.836 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -2.573 1.714 -8.187 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -3.215 2.755 -6.932 1.00 0.00 H new ATOM 0 HE ARG A 103 -3.390 4.331 -9.226 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -4.389 1.114 -8.244 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -5.821 1.101 -9.278 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -5.235 4.303 -10.551 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -6.296 2.891 -10.573 1.00 0.00 H new ATOM 746 N ASP A 104 0.747 5.327 -8.337 1.00 0.00 N ATOM 747 CA ASP A 104 1.090 6.167 -9.477 1.00 0.00 C ATOM 748 C ASP A 104 2.532 6.649 -9.367 1.00 0.00 C ATOM 749 O ASP A 104 3.341 6.432 -10.269 1.00 0.00 O ATOM 750 CB ASP A 104 0.149 7.370 -9.539 1.00 0.00 C ATOM 751 CG ASP A 104 0.612 8.344 -10.617 1.00 0.00 C ATOM 752 OD1 ASP A 104 0.814 7.904 -11.736 1.00 0.00 O ATOM 753 OD2 ASP A 104 0.758 9.515 -10.307 1.00 0.00 O ATOM 0 H ASP A 104 0.015 5.704 -7.734 1.00 0.00 H new ATOM 0 HA ASP A 104 0.984 5.578 -10.388 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -0.867 7.036 -9.752 1.00 0.00 H new ATOM 0 HB3 ASP A 104 0.124 7.872 -8.572 1.00 0.00 H new ATOM 758 N THR A 105 2.844 7.307 -8.256 1.00 0.00 N ATOM 759 CA THR A 105 4.190 7.820 -8.034 1.00 0.00 C ATOM 760 C THR A 105 5.237 6.775 -8.404 1.00 0.00 C ATOM 761 O THR A 105 6.092 7.018 -9.257 1.00 0.00 O ATOM 762 CB THR A 105 4.361 8.219 -6.567 1.00 0.00 C ATOM 763 OG1 THR A 105 3.197 8.903 -6.125 1.00 0.00 O ATOM 764 CG2 THR A 105 5.578 9.134 -6.422 1.00 0.00 C ATOM 0 H THR A 105 2.187 7.497 -7.499 1.00 0.00 H new ATOM 0 HA THR A 105 4.331 8.695 -8.669 1.00 0.00 H new ATOM 0 HB THR A 105 4.509 7.324 -5.963 1.00 0.00 H new ATOM 0 HG1 THR A 105 2.522 8.251 -5.842 1.00 0.00 H new ATOM 0 HG21 THR A 105 5.698 9.417 -5.376 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.471 8.608 -6.760 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.434 10.030 -7.026 1.00 0.00 H new ATOM 772 N ILE A 106 5.173 5.615 -7.758 1.00 0.00 N ATOM 773 CA ILE A 106 6.133 4.553 -8.031 1.00 0.00 C ATOM 774 C ILE A 106 6.076 4.132 -9.495 1.00 0.00 C ATOM 775 O ILE A 106 7.086 3.739 -10.077 1.00 0.00 O ATOM 776 CB ILE A 106 5.857 3.345 -7.137 1.00 0.00 C ATOM 777 CG1 ILE A 106 4.451 2.812 -7.405 1.00 0.00 C ATOM 778 CG2 ILE A 106 5.961 3.763 -5.671 1.00 0.00 C ATOM 779 CD1 ILE A 106 4.200 1.594 -6.515 1.00 0.00 C ATOM 0 H ILE A 106 4.475 5.388 -7.050 1.00 0.00 H new ATOM 0 HA ILE A 106 7.130 4.938 -7.817 1.00 0.00 H new ATOM 0 HB ILE A 106 6.588 2.566 -7.354 1.00 0.00 H new ATOM 0 HG12 ILE A 106 3.710 3.585 -7.202 1.00 0.00 H new ATOM 0 HG13 ILE A 106 4.346 2.539 -8.455 1.00 0.00 H new ATOM 0 HG21 ILE A 106 5.764 2.902 -5.032 1.00 0.00 H new ATOM 0 HG22 ILE A 106 6.963 4.142 -5.471 1.00 0.00 H new ATOM 0 HG23 ILE A 106 5.230 4.544 -5.463 1.00 0.00 H new ATOM 0 HD11 ILE A 106 3.198 1.208 -6.701 1.00 0.00 H new ATOM 0 HD12 ILE A 106 4.934 0.821 -6.741 1.00 0.00 H new ATOM 0 HD13 ILE A 106 4.289 1.884 -5.468 1.00 0.00 H new ATOM 791 N ASN A 107 4.890 4.211 -10.088 1.00 0.00 N ATOM 792 CA ASN A 107 4.724 3.829 -11.484 1.00 0.00 C ATOM 793 C ASN A 107 5.412 4.832 -12.409 1.00 0.00 C ATOM 794 O ASN A 107 5.790 4.492 -13.531 1.00 0.00 O ATOM 795 CB ASN A 107 3.232 3.750 -11.821 1.00 0.00 C ATOM 796 CG ASN A 107 2.746 2.304 -11.746 1.00 0.00 C ATOM 797 OD1 ASN A 107 3.143 1.473 -12.562 1.00 0.00 O ATOM 798 ND2 ASN A 107 1.907 1.955 -10.811 1.00 0.00 N ATOM 0 H ASN A 107 4.038 4.533 -9.629 1.00 0.00 H new ATOM 0 HA ASN A 107 5.186 2.853 -11.634 1.00 0.00 H new ATOM 0 HB2 ASN A 107 2.663 4.368 -11.127 1.00 0.00 H new ATOM 0 HB3 ASN A 107 3.057 4.148 -12.820 1.00 0.00 H new ATOM 0 HD21 ASN A 107 1.578 0.991 -10.755 1.00 0.00 H new ATOM 0 HD22 ASN A 107 1.580 2.646 -10.136 1.00 0.00 H new ATOM 805 N THR A 108 5.569 6.069 -11.940 1.00 0.00 N ATOM 806 CA THR A 108 6.212 7.107 -12.746 1.00 0.00 C ATOM 807 C THR A 108 7.253 7.868 -11.929 1.00 0.00 C ATOM 808 O THR A 108 7.354 9.091 -12.025 1.00 0.00 O ATOM 809 CB THR A 108 5.161 8.088 -13.276 1.00 0.00 C ATOM 810 OG1 THR A 108 5.812 9.232 -13.808 1.00 0.00 O ATOM 811 CG2 THR A 108 4.224 8.514 -12.140 1.00 0.00 C ATOM 0 H THR A 108 5.264 6.375 -11.016 1.00 0.00 H new ATOM 0 HA THR A 108 6.714 6.622 -13.583 1.00 0.00 H new ATOM 0 HB THR A 108 4.576 7.602 -14.057 1.00 0.00 H new ATOM 0 HG1 THR A 108 6.318 9.680 -13.098 1.00 0.00 H new ATOM 0 HG21 THR A 108 3.480 9.211 -12.524 1.00 0.00 H new ATOM 0 HG22 THR A 108 3.723 7.636 -11.733 1.00 0.00 H new ATOM 0 HG23 THR A 108 4.803 8.998 -11.353 1.00 0.00 H new ATOM 819 N SER A 109 8.026 7.136 -11.130 1.00 0.00 N ATOM 820 CA SER A 109 9.065 7.753 -10.304 1.00 0.00 C ATOM 821 C SER A 109 10.422 7.118 -10.588 1.00 0.00 C ATOM 822 O SER A 109 10.527 6.181 -11.379 1.00 0.00 O ATOM 823 CB SER A 109 8.726 7.589 -8.824 1.00 0.00 C ATOM 824 OG SER A 109 9.879 7.878 -8.044 1.00 0.00 O ATOM 0 H SER A 109 7.955 6.123 -11.036 1.00 0.00 H new ATOM 0 HA SER A 109 9.112 8.814 -10.549 1.00 0.00 H new ATOM 0 HB2 SER A 109 7.910 8.258 -8.550 1.00 0.00 H new ATOM 0 HB3 SER A 109 8.385 6.573 -8.627 1.00 0.00 H new ATOM 0 HG SER A 109 9.665 7.775 -7.093 1.00 0.00 H new ATOM 830 N CYS A 110 11.459 7.636 -9.936 1.00 0.00 N ATOM 831 CA CYS A 110 12.809 7.112 -10.127 1.00 0.00 C ATOM 832 C CYS A 110 13.654 7.336 -8.876 1.00 0.00 C ATOM 833 O CYS A 110 14.883 7.357 -8.942 1.00 0.00 O ATOM 834 CB CYS A 110 13.472 7.799 -11.321 1.00 0.00 C ATOM 835 SG CYS A 110 14.964 6.887 -11.788 1.00 0.00 S ATOM 0 H CYS A 110 11.393 8.411 -9.276 1.00 0.00 H new ATOM 0 HA CYS A 110 12.738 6.041 -10.317 1.00 0.00 H new ATOM 0 HB2 CYS A 110 12.779 7.840 -12.162 1.00 0.00 H new ATOM 0 HB3 CYS A 110 13.726 8.828 -11.067 1.00 0.00 H new ATOM 0 HG CYS A 110 15.611 6.535 -10.717 1.00 0.00 H new ATOM 841 N ASP A 111 12.988 7.500 -7.735 1.00 0.00 N ATOM 842 CA ASP A 111 13.689 7.716 -6.473 1.00 0.00 C ATOM 843 C ASP A 111 13.690 6.432 -5.650 1.00 0.00 C ATOM 844 O ASP A 111 12.676 5.746 -5.550 1.00 0.00 O ATOM 845 CB ASP A 111 13.009 8.845 -5.686 1.00 0.00 C ATOM 846 CG ASP A 111 13.698 10.177 -5.973 1.00 0.00 C ATOM 847 OD1 ASP A 111 14.915 10.221 -5.890 1.00 0.00 O ATOM 848 OD2 ASP A 111 12.999 11.132 -6.269 1.00 0.00 O ATOM 0 H ASP A 111 11.971 7.488 -7.659 1.00 0.00 H new ATOM 0 HA ASP A 111 14.720 8.000 -6.683 1.00 0.00 H new ATOM 0 HB2 ASP A 111 11.956 8.906 -5.960 1.00 0.00 H new ATOM 0 HB3 ASP A 111 13.049 8.629 -4.618 1.00 0.00 H new ATOM 853 N ILE A 112 14.838 6.105 -5.070 1.00 0.00 N ATOM 854 CA ILE A 112 14.959 4.891 -4.271 1.00 0.00 C ATOM 855 C ILE A 112 14.200 5.024 -2.953 1.00 0.00 C ATOM 856 O ILE A 112 13.238 4.297 -2.706 1.00 0.00 O ATOM 857 CB ILE A 112 16.435 4.605 -3.986 1.00 0.00 C ATOM 858 CG1 ILE A 112 17.216 4.551 -5.312 1.00 0.00 C ATOM 859 CG2 ILE A 112 16.565 3.269 -3.247 1.00 0.00 C ATOM 860 CD1 ILE A 112 17.130 3.149 -5.923 1.00 0.00 C ATOM 0 H ILE A 112 15.693 6.658 -5.136 1.00 0.00 H new ATOM 0 HA ILE A 112 14.526 4.066 -4.836 1.00 0.00 H new ATOM 0 HB ILE A 112 16.846 5.399 -3.363 1.00 0.00 H new ATOM 0 HG12 ILE A 112 16.812 5.285 -6.010 1.00 0.00 H new ATOM 0 HG13 ILE A 112 18.259 4.816 -5.139 1.00 0.00 H new ATOM 0 HG21 ILE A 112 17.617 3.066 -3.044 1.00 0.00 H new ATOM 0 HG22 ILE A 112 16.017 3.319 -2.306 1.00 0.00 H new ATOM 0 HG23 ILE A 112 16.154 2.470 -3.864 1.00 0.00 H new ATOM 0 HD11 ILE A 112 17.687 3.126 -6.860 1.00 0.00 H new ATOM 0 HD12 ILE A 112 17.556 2.423 -5.230 1.00 0.00 H new ATOM 0 HD13 ILE A 112 16.087 2.899 -6.115 1.00 0.00 H new ATOM 872 N GLU A 113 14.639 5.953 -2.112 1.00 0.00 N ATOM 873 CA GLU A 113 13.990 6.164 -0.821 1.00 0.00 C ATOM 874 C GLU A 113 12.481 6.308 -0.994 1.00 0.00 C ATOM 875 O GLU A 113 11.700 5.672 -0.286 1.00 0.00 O ATOM 876 CB GLU A 113 14.558 7.415 -0.144 1.00 0.00 C ATOM 877 CG GLU A 113 14.688 8.549 -1.164 1.00 0.00 C ATOM 878 CD GLU A 113 15.330 9.768 -0.509 1.00 0.00 C ATOM 879 OE1 GLU A 113 16.061 9.583 0.452 1.00 0.00 O ATOM 880 OE2 GLU A 113 15.084 10.866 -0.976 1.00 0.00 O ATOM 0 H GLU A 113 15.433 6.567 -2.296 1.00 0.00 H new ATOM 0 HA GLU A 113 14.187 5.296 -0.192 1.00 0.00 H new ATOM 0 HB2 GLU A 113 13.907 7.723 0.674 1.00 0.00 H new ATOM 0 HB3 GLU A 113 15.532 7.193 0.291 1.00 0.00 H new ATOM 0 HG2 GLU A 113 15.291 8.221 -2.010 1.00 0.00 H new ATOM 0 HG3 GLU A 113 13.705 8.812 -1.556 1.00 0.00 H new ATOM 887 N LEU A 114 12.076 7.150 -1.939 1.00 0.00 N ATOM 888 CA LEU A 114 10.656 7.372 -2.199 1.00 0.00 C ATOM 889 C LEU A 114 9.967 6.045 -2.510 1.00 0.00 C ATOM 890 O LEU A 114 9.028 5.643 -1.818 1.00 0.00 O ATOM 891 CB LEU A 114 10.501 8.344 -3.379 1.00 0.00 C ATOM 892 CG LEU A 114 9.029 8.739 -3.599 1.00 0.00 C ATOM 893 CD1 LEU A 114 8.232 7.552 -4.157 1.00 0.00 C ATOM 894 CD2 LEU A 114 8.399 9.207 -2.280 1.00 0.00 C ATOM 0 H LEU A 114 12.706 7.687 -2.535 1.00 0.00 H new ATOM 0 HA LEU A 114 10.188 7.805 -1.315 1.00 0.00 H new ATOM 0 HB2 LEU A 114 11.095 9.239 -3.194 1.00 0.00 H new ATOM 0 HB3 LEU A 114 10.894 7.883 -4.285 1.00 0.00 H new ATOM 0 HG LEU A 114 8.999 9.557 -4.319 1.00 0.00 H new ATOM 0 HD11 LEU A 114 7.194 7.849 -4.306 1.00 0.00 H new ATOM 0 HD12 LEU A 114 8.661 7.241 -5.109 1.00 0.00 H new ATOM 0 HD13 LEU A 114 8.274 6.722 -3.452 1.00 0.00 H new ATOM 0 HD21 LEU A 114 7.359 9.483 -2.451 1.00 0.00 H new ATOM 0 HD22 LEU A 114 8.445 8.400 -1.549 1.00 0.00 H new ATOM 0 HD23 LEU A 114 8.946 10.071 -1.902 1.00 0.00 H new ATOM 906 N LEU A 115 10.442 5.367 -3.550 1.00 0.00 N ATOM 907 CA LEU A 115 9.869 4.085 -3.943 1.00 0.00 C ATOM 908 C LEU A 115 9.680 3.197 -2.715 1.00 0.00 C ATOM 909 O LEU A 115 8.609 2.623 -2.511 1.00 0.00 O ATOM 910 CB LEU A 115 10.799 3.381 -4.948 1.00 0.00 C ATOM 911 CG LEU A 115 10.380 3.675 -6.400 1.00 0.00 C ATOM 912 CD1 LEU A 115 9.224 2.755 -6.800 1.00 0.00 C ATOM 913 CD2 LEU A 115 9.949 5.141 -6.558 1.00 0.00 C ATOM 0 H LEU A 115 11.218 5.682 -4.133 1.00 0.00 H new ATOM 0 HA LEU A 115 8.900 4.262 -4.410 1.00 0.00 H new ATOM 0 HB2 LEU A 115 11.826 3.711 -4.790 1.00 0.00 H new ATOM 0 HB3 LEU A 115 10.780 2.305 -4.773 1.00 0.00 H new ATOM 0 HG LEU A 115 11.236 3.493 -7.049 1.00 0.00 H new ATOM 0 HD11 LEU A 115 8.930 2.966 -7.828 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.542 1.715 -6.719 1.00 0.00 H new ATOM 0 HD13 LEU A 115 8.376 2.928 -6.138 1.00 0.00 H new ATOM 0 HD21 LEU A 115 9.657 5.325 -7.592 1.00 0.00 H new ATOM 0 HD22 LEU A 115 9.104 5.345 -5.901 1.00 0.00 H new ATOM 0 HD23 LEU A 115 10.780 5.795 -6.293 1.00 0.00 H new ATOM 925 N ALA A 116 10.725 3.091 -1.903 1.00 0.00 N ATOM 926 CA ALA A 116 10.666 2.271 -0.699 1.00 0.00 C ATOM 927 C ALA A 116 9.544 2.747 0.218 1.00 0.00 C ATOM 928 O ALA A 116 8.737 1.950 0.697 1.00 0.00 O ATOM 929 CB ALA A 116 11.999 2.342 0.047 1.00 0.00 C ATOM 0 H ALA A 116 11.618 3.559 -2.055 1.00 0.00 H new ATOM 0 HA ALA A 116 10.468 1.240 -0.994 1.00 0.00 H new ATOM 0 HB1 ALA A 116 11.946 1.727 0.945 1.00 0.00 H new ATOM 0 HB2 ALA A 116 12.797 1.975 -0.598 1.00 0.00 H new ATOM 0 HB3 ALA A 116 12.205 3.375 0.327 1.00 0.00 H new ATOM 935 N ALA A 117 9.501 4.052 0.457 1.00 0.00 N ATOM 936 CA ALA A 117 8.475 4.628 1.319 1.00 0.00 C ATOM 937 C ALA A 117 7.097 4.090 0.947 1.00 0.00 C ATOM 938 O ALA A 117 6.403 3.507 1.779 1.00 0.00 O ATOM 939 CB ALA A 117 8.486 6.151 1.187 1.00 0.00 C ATOM 0 H ALA A 117 10.159 4.728 0.069 1.00 0.00 H new ATOM 0 HA ALA A 117 8.691 4.350 2.351 1.00 0.00 H new ATOM 0 HB1 ALA A 117 7.718 6.578 1.832 1.00 0.00 H new ATOM 0 HB2 ALA A 117 9.463 6.535 1.482 1.00 0.00 H new ATOM 0 HB3 ALA A 117 8.285 6.428 0.152 1.00 0.00 H new ATOM 945 N CYS A 118 6.708 4.293 -0.308 1.00 0.00 N ATOM 946 CA CYS A 118 5.407 3.825 -0.778 1.00 0.00 C ATOM 947 C CYS A 118 5.240 2.330 -0.520 1.00 0.00 C ATOM 948 O CYS A 118 4.304 1.907 0.160 1.00 0.00 O ATOM 949 CB CYS A 118 5.265 4.100 -2.276 1.00 0.00 C ATOM 950 SG CYS A 118 5.522 5.864 -2.592 1.00 0.00 S ATOM 0 H CYS A 118 7.268 4.773 -1.012 1.00 0.00 H new ATOM 0 HA CYS A 118 4.634 4.363 -0.230 1.00 0.00 H new ATOM 0 HB2 CYS A 118 5.991 3.510 -2.835 1.00 0.00 H new ATOM 0 HB3 CYS A 118 4.276 3.798 -2.620 1.00 0.00 H new ATOM 0 HG CYS A 118 5.404 6.098 -3.865 1.00 0.00 H new ATOM 956 N ARG A 119 6.147 1.532 -1.071 1.00 0.00 N ATOM 957 CA ARG A 119 6.083 0.086 -0.895 1.00 0.00 C ATOM 958 C ARG A 119 5.838 -0.266 0.570 1.00 0.00 C ATOM 959 O ARG A 119 4.984 -1.095 0.886 1.00 0.00 O ATOM 960 CB ARG A 119 7.391 -0.557 -1.367 1.00 0.00 C ATOM 961 CG ARG A 119 7.377 -0.698 -2.891 1.00 0.00 C ATOM 962 CD ARG A 119 8.635 -1.435 -3.349 1.00 0.00 C ATOM 963 NE ARG A 119 9.810 -0.916 -2.654 1.00 0.00 N ATOM 964 CZ ARG A 119 10.271 -1.489 -1.543 1.00 0.00 C ATOM 965 NH1 ARG A 119 9.669 -2.532 -1.042 1.00 0.00 N ATOM 966 NH2 ARG A 119 11.329 -1.003 -0.952 1.00 0.00 N ATOM 0 H ARG A 119 6.929 1.858 -1.639 1.00 0.00 H new ATOM 0 HA ARG A 119 5.255 -0.297 -1.491 1.00 0.00 H new ATOM 0 HB2 ARG A 119 8.240 0.052 -1.056 1.00 0.00 H new ATOM 0 HB3 ARG A 119 7.514 -1.535 -0.903 1.00 0.00 H new ATOM 0 HG2 ARG A 119 6.488 -1.244 -3.208 1.00 0.00 H new ATOM 0 HG3 ARG A 119 7.330 0.286 -3.357 1.00 0.00 H new ATOM 0 HD2 ARG A 119 8.531 -2.502 -3.153 1.00 0.00 H new ATOM 0 HD3 ARG A 119 8.761 -1.319 -4.426 1.00 0.00 H new ATOM 0 HE ARG A 119 10.289 -0.096 -3.028 1.00 0.00 H new ATOM 0 HH11 ARG A 119 8.841 -2.913 -1.501 1.00 0.00 H new ATOM 0 HH12 ARG A 119 10.026 -2.967 -0.191 1.00 0.00 H new ATOM 0 HH21 ARG A 119 11.801 -0.186 -1.341 1.00 0.00 H new ATOM 0 HH22 ARG A 119 11.684 -1.440 -0.101 1.00 0.00 H new ATOM 980 N GLU A 120 6.594 0.367 1.459 1.00 0.00 N ATOM 981 CA GLU A 120 6.451 0.110 2.889 1.00 0.00 C ATOM 982 C GLU A 120 5.023 0.391 3.350 1.00 0.00 C ATOM 983 O GLU A 120 4.429 -0.410 4.070 1.00 0.00 O ATOM 984 CB GLU A 120 7.425 0.985 3.678 1.00 0.00 C ATOM 985 CG GLU A 120 8.859 0.511 3.429 1.00 0.00 C ATOM 986 CD GLU A 120 9.127 -0.772 4.211 1.00 0.00 C ATOM 987 OE1 GLU A 120 9.485 -0.670 5.373 1.00 0.00 O ATOM 988 OE2 GLU A 120 8.971 -1.836 3.636 1.00 0.00 O ATOM 0 H GLU A 120 7.307 1.056 1.219 1.00 0.00 H new ATOM 0 HA GLU A 120 6.677 -0.941 3.071 1.00 0.00 H new ATOM 0 HB2 GLU A 120 7.319 2.027 3.377 1.00 0.00 H new ATOM 0 HB3 GLU A 120 7.194 0.935 4.742 1.00 0.00 H new ATOM 0 HG2 GLU A 120 9.014 0.337 2.364 1.00 0.00 H new ATOM 0 HG3 GLU A 120 9.564 1.285 3.731 1.00 0.00 H new ATOM 995 N GLU A 121 4.478 1.530 2.933 1.00 0.00 N ATOM 996 CA GLU A 121 3.122 1.893 3.317 1.00 0.00 C ATOM 997 C GLU A 121 2.153 0.770 2.962 1.00 0.00 C ATOM 998 O GLU A 121 1.336 0.362 3.789 1.00 0.00 O ATOM 999 CB GLU A 121 2.703 3.189 2.611 1.00 0.00 C ATOM 1000 CG GLU A 121 3.156 4.397 3.435 1.00 0.00 C ATOM 1001 CD GLU A 121 4.678 4.424 3.530 1.00 0.00 C ATOM 1002 OE1 GLU A 121 5.228 3.534 4.157 1.00 0.00 O ATOM 1003 OE2 GLU A 121 5.271 5.332 2.974 1.00 0.00 O ATOM 0 H GLU A 121 4.950 2.209 2.336 1.00 0.00 H new ATOM 0 HA GLU A 121 3.096 2.052 4.395 1.00 0.00 H new ATOM 0 HB2 GLU A 121 3.144 3.230 1.615 1.00 0.00 H new ATOM 0 HB3 GLU A 121 1.621 3.210 2.482 1.00 0.00 H new ATOM 0 HG2 GLU A 121 2.796 5.317 2.975 1.00 0.00 H new ATOM 0 HG3 GLU A 121 2.722 4.349 4.434 1.00 0.00 H new ATOM 1010 N PHE A 122 2.252 0.263 1.736 1.00 0.00 N ATOM 1011 CA PHE A 122 1.375 -0.822 1.311 1.00 0.00 C ATOM 1012 C PHE A 122 1.521 -2.009 2.256 1.00 0.00 C ATOM 1013 O PHE A 122 0.565 -2.407 2.917 1.00 0.00 O ATOM 1014 CB PHE A 122 1.721 -1.275 -0.114 1.00 0.00 C ATOM 1015 CG PHE A 122 1.443 -0.180 -1.124 1.00 0.00 C ATOM 1016 CD1 PHE A 122 0.322 0.658 -0.996 1.00 0.00 C ATOM 1017 CD2 PHE A 122 2.313 -0.011 -2.207 1.00 0.00 C ATOM 1018 CE1 PHE A 122 0.083 1.657 -1.950 1.00 0.00 C ATOM 1019 CE2 PHE A 122 2.070 0.986 -3.157 1.00 0.00 C ATOM 1020 CZ PHE A 122 0.957 1.820 -3.028 1.00 0.00 C ATOM 0 H PHE A 122 2.918 0.579 1.031 1.00 0.00 H new ATOM 0 HA PHE A 122 0.349 -0.455 1.330 1.00 0.00 H new ATOM 0 HB2 PHE A 122 2.772 -1.558 -0.162 1.00 0.00 H new ATOM 0 HB3 PHE A 122 1.140 -2.162 -0.367 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -0.355 0.532 -0.164 1.00 0.00 H new ATOM 0 HD2 PHE A 122 3.175 -0.653 -2.310 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -0.778 2.302 -1.852 1.00 0.00 H new ATOM 0 HE2 PHE A 122 2.744 1.111 -3.992 1.00 0.00 H new ATOM 0 HZ PHE A 122 0.772 2.591 -3.761 1.00 0.00 H new ATOM 1030 N HIS A 123 2.725 -2.568 2.313 1.00 0.00 N ATOM 1031 CA HIS A 123 2.993 -3.712 3.178 1.00 0.00 C ATOM 1032 C HIS A 123 2.277 -3.560 4.516 1.00 0.00 C ATOM 1033 O HIS A 123 1.695 -4.517 5.031 1.00 0.00 O ATOM 1034 CB HIS A 123 4.500 -3.839 3.415 1.00 0.00 C ATOM 1035 CG HIS A 123 4.765 -4.931 4.414 1.00 0.00 C ATOM 1036 ND1 HIS A 123 4.309 -6.227 4.232 1.00 0.00 N ATOM 1037 CD2 HIS A 123 5.439 -4.936 5.610 1.00 0.00 C ATOM 1038 CE1 HIS A 123 4.711 -6.952 5.292 1.00 0.00 C ATOM 1039 NE2 HIS A 123 5.404 -6.212 6.163 1.00 0.00 N ATOM 0 H HIS A 123 3.529 -2.249 1.772 1.00 0.00 H new ATOM 0 HA HIS A 123 2.621 -4.610 2.685 1.00 0.00 H new ATOM 0 HB2 HIS A 123 5.008 -4.060 2.476 1.00 0.00 H new ATOM 0 HB3 HIS A 123 4.902 -2.894 3.780 1.00 0.00 H new ATOM 0 HD2 HIS A 123 5.923 -4.079 6.054 1.00 0.00 H new ATOM 0 HE1 HIS A 123 4.500 -8.003 5.423 1.00 0.00 H new ATOM 0 HE2 HIS A 123 5.818 -6.517 7.044 1.00 0.00 H new ATOM 1047 N ARG A 124 2.324 -2.356 5.075 1.00 0.00 N ATOM 1048 CA ARG A 124 1.678 -2.098 6.356 1.00 0.00 C ATOM 1049 C ARG A 124 0.160 -2.215 6.234 1.00 0.00 C ATOM 1050 O ARG A 124 -0.490 -2.851 7.064 1.00 0.00 O ATOM 1051 CB ARG A 124 2.047 -0.698 6.852 1.00 0.00 C ATOM 1052 CG ARG A 124 3.486 -0.702 7.373 1.00 0.00 C ATOM 1053 CD ARG A 124 3.857 0.701 7.860 1.00 0.00 C ATOM 1054 NE ARG A 124 2.849 1.193 8.793 1.00 0.00 N ATOM 1055 CZ ARG A 124 2.790 0.741 10.041 1.00 0.00 C ATOM 1056 NH1 ARG A 124 3.642 -0.158 10.451 1.00 0.00 N ATOM 1057 NH2 ARG A 124 1.879 1.197 10.857 1.00 0.00 N ATOM 0 H ARG A 124 2.798 -1.551 4.666 1.00 0.00 H new ATOM 0 HA ARG A 124 2.027 -2.843 7.071 1.00 0.00 H new ATOM 0 HB2 ARG A 124 1.944 0.025 6.042 1.00 0.00 H new ATOM 0 HB3 ARG A 124 1.364 -0.389 7.643 1.00 0.00 H new ATOM 0 HG2 ARG A 124 3.587 -1.420 8.187 1.00 0.00 H new ATOM 0 HG3 ARG A 124 4.169 -1.017 6.584 1.00 0.00 H new ATOM 0 HD2 ARG A 124 4.833 0.679 8.345 1.00 0.00 H new ATOM 0 HD3 ARG A 124 3.939 1.379 7.011 1.00 0.00 H new ATOM 0 HE ARG A 124 2.178 1.896 8.482 1.00 0.00 H new ATOM 0 HH11 ARG A 124 4.354 -0.514 9.813 1.00 0.00 H new ATOM 0 HH12 ARG A 124 3.596 -0.505 11.409 1.00 0.00 H new ATOM 0 HH21 ARG A 124 1.213 1.900 10.536 1.00 0.00 H new ATOM 0 HH22 ARG A 124 1.833 0.850 11.815 1.00 0.00 H new ATOM 1071 N ARG A 125 -0.399 -1.590 5.204 1.00 0.00 N ATOM 1072 CA ARG A 125 -1.842 -1.625 4.992 1.00 0.00 C ATOM 1073 C ARG A 125 -2.311 -3.033 4.633 1.00 0.00 C ATOM 1074 O ARG A 125 -3.457 -3.399 4.896 1.00 0.00 O ATOM 1075 CB ARG A 125 -2.228 -0.653 3.874 1.00 0.00 C ATOM 1076 CG ARG A 125 -2.195 0.781 4.411 1.00 0.00 C ATOM 1077 CD ARG A 125 -2.363 1.768 3.254 1.00 0.00 C ATOM 1078 NE ARG A 125 -1.104 1.918 2.535 1.00 0.00 N ATOM 1079 CZ ARG A 125 -1.051 2.549 1.366 1.00 0.00 C ATOM 1080 NH1 ARG A 125 -2.140 3.044 0.843 1.00 0.00 N ATOM 1081 NH2 ARG A 125 0.088 2.673 0.743 1.00 0.00 N ATOM 0 H ARG A 125 0.120 -1.056 4.507 1.00 0.00 H new ATOM 0 HA ARG A 125 -2.329 -1.327 5.921 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -1.539 -0.755 3.035 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -3.224 -0.890 3.499 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -2.990 0.924 5.142 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -1.252 0.966 4.925 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -3.139 1.415 2.575 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -2.690 2.735 3.636 1.00 0.00 H new ATOM 0 HE ARG A 125 -0.249 1.532 2.936 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -3.030 2.946 1.331 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -2.101 3.528 -0.054 1.00 0.00 H new ATOM 0 HH21 ARG A 125 0.938 2.286 1.153 1.00 0.00 H new ATOM 0 HH22 ARG A 125 0.129 3.157 -0.154 1.00 0.00 H new ATOM 1095 N LEU A 126 -1.423 -3.820 4.034 1.00 0.00 N ATOM 1096 CA LEU A 126 -1.768 -5.185 3.649 1.00 0.00 C ATOM 1097 C LEU A 126 -1.879 -6.069 4.888 1.00 0.00 C ATOM 1098 O LEU A 126 -2.871 -6.773 5.069 1.00 0.00 O ATOM 1099 CB LEU A 126 -0.701 -5.751 2.696 1.00 0.00 C ATOM 1100 CG LEU A 126 -1.094 -5.501 1.230 1.00 0.00 C ATOM 1101 CD1 LEU A 126 -2.406 -6.230 0.899 1.00 0.00 C ATOM 1102 CD2 LEU A 126 -1.262 -3.996 0.983 1.00 0.00 C ATOM 0 H LEU A 126 -0.469 -3.541 3.806 1.00 0.00 H new ATOM 0 HA LEU A 126 -2.730 -5.172 3.137 1.00 0.00 H new ATOM 0 HB2 LEU A 126 0.263 -5.286 2.904 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -0.583 -6.821 2.869 1.00 0.00 H new ATOM 0 HG LEU A 126 -0.303 -5.885 0.586 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -2.673 -6.045 -0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -2.277 -7.301 1.055 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -3.200 -5.862 1.548 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -1.540 -3.827 -0.057 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -2.043 -3.605 1.636 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -0.323 -3.485 1.195 1.00 0.00 H new ATOM 1114 N LYS A 127 -0.859 -6.023 5.739 1.00 0.00 N ATOM 1115 CA LYS A 127 -0.866 -6.823 6.958 1.00 0.00 C ATOM 1116 C LYS A 127 -2.058 -6.443 7.830 1.00 0.00 C ATOM 1117 O LYS A 127 -2.752 -7.311 8.361 1.00 0.00 O ATOM 1118 CB LYS A 127 0.432 -6.606 7.737 1.00 0.00 C ATOM 1119 CG LYS A 127 1.602 -7.255 6.985 1.00 0.00 C ATOM 1120 CD LYS A 127 1.510 -8.790 7.083 1.00 0.00 C ATOM 1121 CE LYS A 127 1.297 -9.391 5.689 1.00 0.00 C ATOM 1122 NZ LYS A 127 0.945 -10.834 5.820 1.00 0.00 N ATOM 0 H LYS A 127 -0.027 -5.448 5.610 1.00 0.00 H new ATOM 0 HA LYS A 127 -0.947 -7.875 6.684 1.00 0.00 H new ATOM 0 HB2 LYS A 127 0.616 -5.539 7.865 1.00 0.00 H new ATOM 0 HB3 LYS A 127 0.345 -7.036 8.735 1.00 0.00 H new ATOM 0 HG2 LYS A 127 1.587 -6.948 5.939 1.00 0.00 H new ATOM 0 HG3 LYS A 127 2.548 -6.912 7.404 1.00 0.00 H new ATOM 0 HD2 LYS A 127 2.422 -9.190 7.525 1.00 0.00 H new ATOM 0 HD3 LYS A 127 0.687 -9.072 7.740 1.00 0.00 H new ATOM 0 HE2 LYS A 127 0.502 -8.857 5.168 1.00 0.00 H new ATOM 0 HE3 LYS A 127 2.201 -9.279 5.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 0.800 -11.243 4.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 1.718 -11.338 6.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 0.071 -10.929 6.376 1.00 0.00 H new ATOM 1136 N VAL A 128 -2.293 -5.144 7.964 1.00 0.00 N ATOM 1137 CA VAL A 128 -3.410 -4.658 8.768 1.00 0.00 C ATOM 1138 C VAL A 128 -4.732 -5.031 8.106 1.00 0.00 C ATOM 1139 O VAL A 128 -5.695 -5.396 8.780 1.00 0.00 O ATOM 1140 CB VAL A 128 -3.322 -3.139 8.922 1.00 0.00 C ATOM 1141 CG1 VAL A 128 -4.517 -2.638 9.735 1.00 0.00 C ATOM 1142 CG2 VAL A 128 -2.022 -2.774 9.647 1.00 0.00 C ATOM 0 H VAL A 128 -1.731 -4.412 7.530 1.00 0.00 H new ATOM 0 HA VAL A 128 -3.361 -5.121 9.753 1.00 0.00 H new ATOM 0 HB VAL A 128 -3.332 -2.673 7.937 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -4.454 -1.555 9.845 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -5.442 -2.897 9.220 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -4.508 -3.104 10.720 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -1.958 -1.691 9.757 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -2.012 -3.240 10.632 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -1.170 -3.130 9.068 1.00 0.00 H new ATOM 1152 N TYR A 129 -4.764 -4.943 6.781 1.00 0.00 N ATOM 1153 CA TYR A 129 -5.967 -5.278 6.027 1.00 0.00 C ATOM 1154 C TYR A 129 -6.269 -6.769 6.159 1.00 0.00 C ATOM 1155 O TYR A 129 -7.429 -7.171 6.270 1.00 0.00 O ATOM 1156 CB TYR A 129 -5.765 -4.910 4.552 1.00 0.00 C ATOM 1157 CG TYR A 129 -6.814 -5.585 3.695 1.00 0.00 C ATOM 1158 CD1 TYR A 129 -8.167 -5.273 3.871 1.00 0.00 C ATOM 1159 CD2 TYR A 129 -6.430 -6.520 2.725 1.00 0.00 C ATOM 1160 CE1 TYR A 129 -9.137 -5.896 3.075 1.00 0.00 C ATOM 1161 CE2 TYR A 129 -7.399 -7.142 1.930 1.00 0.00 C ATOM 1162 CZ TYR A 129 -8.754 -6.830 2.105 1.00 0.00 C ATOM 1163 OH TYR A 129 -9.709 -7.443 1.321 1.00 0.00 O ATOM 0 H TYR A 129 -3.975 -4.644 6.209 1.00 0.00 H new ATOM 0 HA TYR A 129 -6.811 -4.714 6.426 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -5.825 -3.829 4.428 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -4.770 -5.213 4.227 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -8.463 -4.553 4.620 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -5.386 -6.761 2.591 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -10.181 -5.656 3.210 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -7.103 -7.862 1.182 1.00 0.00 H new ATOM 0 HH TYR A 129 -9.273 -8.062 0.699 1.00 0.00 H new ATOM 1173 N HIS A 130 -5.217 -7.581 6.151 1.00 0.00 N ATOM 1174 CA HIS A 130 -5.376 -9.025 6.273 1.00 0.00 C ATOM 1175 C HIS A 130 -5.715 -9.402 7.712 1.00 0.00 C ATOM 1176 O HIS A 130 -6.347 -10.428 7.962 1.00 0.00 O ATOM 1177 CB HIS A 130 -4.085 -9.728 5.851 1.00 0.00 C ATOM 1178 CG HIS A 130 -3.941 -9.661 4.355 1.00 0.00 C ATOM 1179 ND1 HIS A 130 -4.898 -10.180 3.497 1.00 0.00 N ATOM 1180 CD2 HIS A 130 -2.960 -9.141 3.550 1.00 0.00 C ATOM 1181 CE1 HIS A 130 -4.475 -9.964 2.239 1.00 0.00 C ATOM 1182 NE2 HIS A 130 -3.298 -9.333 2.214 1.00 0.00 N ATOM 0 H HIS A 130 -4.251 -7.266 6.062 1.00 0.00 H new ATOM 0 HA HIS A 130 -6.191 -9.341 5.622 1.00 0.00 H new ATOM 0 HB2 HIS A 130 -3.228 -9.255 6.331 1.00 0.00 H new ATOM 0 HB3 HIS A 130 -4.101 -10.767 6.179 1.00 0.00 H new ATOM 0 HD1 HIS A 130 -5.765 -10.642 3.770 1.00 0.00 H new ATOM 0 HD2 HIS A 130 -2.061 -8.656 3.900 1.00 0.00 H new ATOM 0 HE1 HIS A 130 -5.020 -10.264 1.356 1.00 0.00 H new ATOM 1190 N ALA A 131 -5.295 -8.563 8.652 1.00 0.00 N ATOM 1191 CA ALA A 131 -5.561 -8.817 10.062 1.00 0.00 C ATOM 1192 C ALA A 131 -7.012 -8.491 10.392 1.00 0.00 C ATOM 1193 O ALA A 131 -7.746 -9.329 10.914 1.00 0.00 O ATOM 1194 CB ALA A 131 -4.632 -7.969 10.933 1.00 0.00 C ATOM 0 H ALA A 131 -4.773 -7.707 8.465 1.00 0.00 H new ATOM 0 HA ALA A 131 -5.379 -9.872 10.265 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -4.839 -8.166 11.985 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -3.595 -8.223 10.713 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -4.799 -6.913 10.722 1.00 0.00 H new ATOM 1200 N TRP A 132 -7.418 -7.266 10.076 1.00 0.00 N ATOM 1201 CA TRP A 132 -8.786 -6.838 10.336 1.00 0.00 C ATOM 1202 C TRP A 132 -9.765 -7.710 9.553 1.00 0.00 C ATOM 1203 O TRP A 132 -10.833 -8.064 10.054 1.00 0.00 O ATOM 1204 CB TRP A 132 -8.949 -5.365 9.940 1.00 0.00 C ATOM 1205 CG TRP A 132 -10.393 -5.055 9.700 1.00 0.00 C ATOM 1206 CD1 TRP A 132 -11.265 -4.627 10.641 1.00 0.00 C ATOM 1207 CD2 TRP A 132 -11.140 -5.142 8.455 1.00 0.00 C ATOM 1208 NE1 TRP A 132 -12.502 -4.445 10.050 1.00 0.00 N ATOM 1209 CE2 TRP A 132 -12.476 -4.750 8.703 1.00 0.00 C ATOM 1210 CE3 TRP A 132 -10.791 -5.521 7.147 1.00 0.00 C ATOM 1211 CZ2 TRP A 132 -13.434 -4.732 7.689 1.00 0.00 C ATOM 1212 CZ3 TRP A 132 -11.751 -5.504 6.123 1.00 0.00 C ATOM 1213 CH2 TRP A 132 -13.070 -5.112 6.393 1.00 0.00 C ATOM 0 H TRP A 132 -6.825 -6.558 9.643 1.00 0.00 H new ATOM 0 HA TRP A 132 -9.001 -6.945 11.399 1.00 0.00 H new ATOM 0 HB2 TRP A 132 -8.557 -4.723 10.729 1.00 0.00 H new ATOM 0 HB3 TRP A 132 -8.370 -5.156 9.041 1.00 0.00 H new ATOM 0 HD1 TRP A 132 -11.034 -4.456 11.682 1.00 0.00 H new ATOM 0 HE1 TRP A 132 -13.332 -4.125 10.548 1.00 0.00 H new ATOM 0 HE3 TRP A 132 -9.779 -5.827 6.929 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 -14.448 -4.427 7.903 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 -11.472 -5.795 5.121 1.00 0.00 H new ATOM 0 HH2 TRP A 132 -13.804 -5.103 5.601 1.00 0.00 H new ATOM 1224 N LYS A 133 -9.391 -8.057 8.325 1.00 0.00 N ATOM 1225 CA LYS A 133 -10.240 -8.894 7.486 1.00 0.00 C ATOM 1226 C LYS A 133 -10.314 -10.307 8.055 1.00 0.00 C ATOM 1227 O LYS A 133 -11.374 -10.934 8.055 1.00 0.00 O ATOM 1228 CB LYS A 133 -9.682 -8.937 6.059 1.00 0.00 C ATOM 1229 CG LYS A 133 -10.629 -9.728 5.144 1.00 0.00 C ATOM 1230 CD LYS A 133 -11.750 -8.813 4.631 1.00 0.00 C ATOM 1231 CE LYS A 133 -13.021 -9.634 4.405 1.00 0.00 C ATOM 1232 NZ LYS A 133 -13.956 -8.874 3.529 1.00 0.00 N ATOM 0 H LYS A 133 -8.512 -7.774 7.892 1.00 0.00 H new ATOM 0 HA LYS A 133 -11.243 -8.469 7.466 1.00 0.00 H new ATOM 0 HB2 LYS A 133 -9.559 -7.923 5.678 1.00 0.00 H new ATOM 0 HB3 LYS A 133 -8.695 -9.399 6.060 1.00 0.00 H new ATOM 0 HG2 LYS A 133 -10.073 -10.142 4.303 1.00 0.00 H new ATOM 0 HG3 LYS A 133 -11.056 -10.569 5.689 1.00 0.00 H new ATOM 0 HD2 LYS A 133 -11.942 -8.018 5.351 1.00 0.00 H new ATOM 0 HD3 LYS A 133 -11.445 -8.334 3.701 1.00 0.00 H new ATOM 0 HE2 LYS A 133 -12.772 -10.590 3.945 1.00 0.00 H new ATOM 0 HE3 LYS A 133 -13.499 -9.854 5.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 -14.820 -9.433 3.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 -14.203 -7.972 3.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 -13.499 -8.686 2.614 1.00 0.00 H new ATOM 1246 N SER A 134 -9.181 -10.803 8.539 1.00 0.00 N ATOM 1247 CA SER A 134 -9.127 -12.143 9.110 1.00 0.00 C ATOM 1248 C SER A 134 -9.990 -12.224 10.364 1.00 0.00 C ATOM 1249 O SER A 134 -10.564 -13.269 10.669 1.00 0.00 O ATOM 1250 CB SER A 134 -7.684 -12.504 9.461 1.00 0.00 C ATOM 1251 OG SER A 134 -7.662 -13.763 10.122 1.00 0.00 O ATOM 0 H SER A 134 -8.293 -10.301 8.548 1.00 0.00 H new ATOM 0 HA SER A 134 -9.508 -12.848 8.371 1.00 0.00 H new ATOM 0 HB2 SER A 134 -7.077 -12.544 8.557 1.00 0.00 H new ATOM 0 HB3 SER A 134 -7.250 -11.736 10.102 1.00 0.00 H new ATOM 0 HG SER A 134 -6.738 -13.998 10.347 1.00 0.00 H new ATOM 1257 N LYS A 135 -10.073 -11.112 11.087 1.00 0.00 N ATOM 1258 CA LYS A 135 -10.864 -11.061 12.310 1.00 0.00 C ATOM 1259 C LYS A 135 -12.321 -10.732 11.993 1.00 0.00 C ATOM 1260 O LYS A 135 -13.231 -11.149 12.709 1.00 0.00 O ATOM 1261 CB LYS A 135 -10.288 -9.999 13.251 1.00 0.00 C ATOM 1262 CG LYS A 135 -9.077 -10.572 13.992 1.00 0.00 C ATOM 1263 CD LYS A 135 -8.506 -9.517 14.949 1.00 0.00 C ATOM 1264 CE LYS A 135 -7.489 -8.644 14.209 1.00 0.00 C ATOM 1265 NZ LYS A 135 -6.244 -9.427 13.969 1.00 0.00 N ATOM 0 H LYS A 135 -9.604 -10.238 10.848 1.00 0.00 H new ATOM 0 HA LYS A 135 -10.825 -12.037 12.793 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -9.995 -9.116 12.683 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -11.047 -9.681 13.965 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -9.368 -11.462 14.549 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -8.314 -10.879 13.277 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -9.311 -8.898 15.345 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -8.030 -10.004 15.800 1.00 0.00 H new ATOM 0 HE2 LYS A 135 -7.906 -8.305 13.261 1.00 0.00 H new ATOM 0 HE3 LYS A 135 -7.264 -7.753 14.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 -5.425 -8.786 13.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 -6.131 -10.138 14.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 -6.306 -9.904 13.047 1.00 0.00 H new