USER MOD reduce.3.24.130724 H: found=0, std=0, add=324, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 325 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 132 SER OG : rot 180:sc= 0 USER MOD Single : A 142 HIS : no HE2:sc= -7.48! C(o=-7.5!,f=-9.3!) USER MOD Single : A 143 ASN : amide:sc= -0.132 X(o=-0.13,f=-0.16) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 THR OG1 : rot -56:sc= 0.922 USER MOD Single : A 159 THR OG1 : rot 40:sc= 0.904 USER MOD Single : A 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 60 N ALA A 130 -7.223 6.437 -3.587 1.00 0.00 N ATOM 61 CA ALA A 130 -6.899 5.021 -3.453 1.00 0.00 C ATOM 62 C ALA A 130 -5.780 4.803 -2.439 1.00 0.00 C ATOM 63 O ALA A 130 -5.808 3.847 -1.664 1.00 0.00 O ATOM 64 CB ALA A 130 -6.510 4.439 -4.803 1.00 0.00 C ATOM 0 HA ALA A 130 -7.787 4.506 -3.088 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -6.271 3.382 -4.688 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -7.341 4.549 -5.500 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -5.639 4.968 -5.190 1.00 0.00 H new ATOM 70 N LEU A 131 -4.796 5.695 -2.453 1.00 0.00 N ATOM 71 CA LEU A 131 -3.667 5.602 -1.536 1.00 0.00 C ATOM 72 C LEU A 131 -3.733 6.698 -0.477 1.00 0.00 C ATOM 73 O LEU A 131 -4.688 7.472 -0.429 1.00 0.00 O ATOM 74 CB LEU A 131 -2.349 5.698 -2.308 1.00 0.00 C ATOM 75 CG LEU A 131 -1.756 4.357 -2.745 1.00 0.00 C ATOM 76 CD1 LEU A 131 -2.207 4.008 -4.155 1.00 0.00 C ATOM 77 CD2 LEU A 131 -0.237 4.393 -2.664 1.00 0.00 C ATOM 0 H LEU A 131 -4.758 6.491 -3.090 1.00 0.00 H new ATOM 0 HA LEU A 131 -3.716 4.636 -1.034 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -2.508 6.314 -3.193 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -1.618 6.216 -1.687 1.00 0.00 H new ATOM 0 HG LEU A 131 -2.118 3.584 -2.067 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -1.775 3.051 -4.449 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -3.294 3.939 -4.183 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -1.875 4.783 -4.846 1.00 0.00 H new ATOM 0 HD21 LEU A 131 0.167 3.431 -2.979 1.00 0.00 H new ATOM 0 HD22 LEU A 131 0.144 5.178 -3.318 1.00 0.00 H new ATOM 0 HD23 LEU A 131 0.068 4.596 -1.637 1.00 0.00 H new ATOM 89 N SER A 132 -2.710 6.757 0.370 1.00 0.00 N ATOM 90 CA SER A 132 -2.652 7.759 1.430 1.00 0.00 C ATOM 91 C SER A 132 -1.289 8.446 1.454 1.00 0.00 C ATOM 92 O SER A 132 -0.281 7.857 1.066 1.00 0.00 O ATOM 93 CB SER A 132 -2.936 7.113 2.787 1.00 0.00 C ATOM 94 OG SER A 132 -4.326 6.921 2.981 1.00 0.00 O ATOM 0 H SER A 132 -1.911 6.124 0.344 1.00 0.00 H new ATOM 0 HA SER A 132 -3.414 8.511 1.228 1.00 0.00 H new ATOM 0 HB2 SER A 132 -2.421 6.154 2.851 1.00 0.00 H new ATOM 0 HB3 SER A 132 -2.538 7.743 3.583 1.00 0.00 H new ATOM 0 HG SER A 132 -4.480 6.505 3.855 1.00 0.00 H new ATOM 100 N PRO A 133 -1.242 9.709 1.914 1.00 0.00 N ATOM 101 CA PRO A 133 0.005 10.476 1.988 1.00 0.00 C ATOM 102 C PRO A 133 1.101 9.728 2.741 1.00 0.00 C ATOM 103 O PRO A 133 2.207 9.550 2.231 1.00 0.00 O ATOM 104 CB PRO A 133 -0.397 11.742 2.749 1.00 0.00 C ATOM 105 CG PRO A 133 -1.858 11.884 2.503 1.00 0.00 C ATOM 106 CD PRO A 133 -2.399 10.485 2.397 1.00 0.00 C ATOM 0 HA PRO A 133 0.420 10.672 0.999 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -0.182 11.649 3.814 1.00 0.00 H new ATOM 0 HB3 PRO A 133 0.152 12.612 2.388 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -2.339 12.428 3.316 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -2.047 12.446 1.588 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -2.756 10.118 3.359 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -3.238 10.430 1.703 1.00 0.00 H new ATOM 114 N ALA A 134 0.785 9.294 3.956 1.00 0.00 N ATOM 115 CA ALA A 134 1.743 8.564 4.780 1.00 0.00 C ATOM 116 C ALA A 134 2.196 7.282 4.091 1.00 0.00 C ATOM 117 O ALA A 134 3.393 6.990 4.015 1.00 0.00 O ATOM 118 CB ALA A 134 1.137 8.251 6.139 1.00 0.00 C ATOM 0 H ALA A 134 -0.126 9.435 4.392 1.00 0.00 H new ATOM 0 HA ALA A 134 2.619 9.196 4.922 1.00 0.00 H new ATOM 0 HB1 ALA A 134 1.862 7.706 6.744 1.00 0.00 H new ATOM 0 HB2 ALA A 134 0.871 9.181 6.642 1.00 0.00 H new ATOM 0 HB3 ALA A 134 0.243 7.641 6.007 1.00 0.00 H new ATOM 124 N ILE A 135 1.237 6.513 3.585 1.00 0.00 N ATOM 125 CA ILE A 135 1.557 5.267 2.908 1.00 0.00 C ATOM 126 C ILE A 135 2.503 5.510 1.742 1.00 0.00 C ATOM 127 O ILE A 135 3.469 4.780 1.565 1.00 0.00 O ATOM 128 CB ILE A 135 0.301 4.543 2.385 1.00 0.00 C ATOM 129 CG1 ILE A 135 -0.664 4.251 3.537 1.00 0.00 C ATOM 130 CG2 ILE A 135 0.699 3.253 1.672 1.00 0.00 C ATOM 131 CD1 ILE A 135 -1.908 3.503 3.110 1.00 0.00 C ATOM 0 H ILE A 135 0.241 6.730 3.631 1.00 0.00 H new ATOM 0 HA ILE A 135 2.037 4.631 3.652 1.00 0.00 H new ATOM 0 HB ILE A 135 -0.208 5.190 1.671 1.00 0.00 H new ATOM 0 HG12 ILE A 135 -0.143 3.669 4.297 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -0.958 5.192 4.001 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -0.195 2.749 1.306 1.00 0.00 H new ATOM 0 HG22 ILE A 135 1.352 3.488 0.832 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.225 2.600 2.368 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -2.545 3.331 3.978 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -2.452 4.093 2.372 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -1.625 2.546 2.672 1.00 0.00 H new ATOM 143 N ARG A 136 2.226 6.539 0.946 1.00 0.00 N ATOM 144 CA ARG A 136 3.075 6.852 -0.199 1.00 0.00 C ATOM 145 C ARG A 136 4.534 6.903 0.227 1.00 0.00 C ATOM 146 O ARG A 136 5.423 6.470 -0.508 1.00 0.00 O ATOM 147 CB ARG A 136 2.660 8.180 -0.834 1.00 0.00 C ATOM 148 CG ARG A 136 1.495 8.054 -1.801 1.00 0.00 C ATOM 149 CD ARG A 136 0.658 9.323 -1.833 1.00 0.00 C ATOM 150 NE ARG A 136 1.082 10.233 -2.895 1.00 0.00 N ATOM 151 CZ ARG A 136 0.767 11.525 -2.933 1.00 0.00 C ATOM 152 NH1 ARG A 136 0.027 12.064 -1.972 1.00 0.00 N ATOM 153 NH2 ARG A 136 1.194 12.282 -3.936 1.00 0.00 N ATOM 0 H ARG A 136 1.430 7.164 1.070 1.00 0.00 H new ATOM 0 HA ARG A 136 2.953 6.065 -0.943 1.00 0.00 H new ATOM 0 HB2 ARG A 136 2.392 8.882 -0.045 1.00 0.00 H new ATOM 0 HB3 ARG A 136 3.515 8.604 -1.361 1.00 0.00 H new ATOM 0 HG2 ARG A 136 1.872 7.840 -2.801 1.00 0.00 H new ATOM 0 HG3 ARG A 136 0.869 7.211 -1.510 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -0.390 9.062 -1.977 1.00 0.00 H new ATOM 0 HD3 ARG A 136 0.731 9.830 -0.871 1.00 0.00 H new ATOM 0 HE ARG A 136 1.653 9.855 -3.651 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -0.304 11.487 -1.199 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -0.211 13.055 -2.007 1.00 0.00 H new ATOM 0 HH21 ARG A 136 1.763 11.873 -4.677 1.00 0.00 H new ATOM 0 HH22 ARG A 136 0.953 13.273 -3.966 1.00 0.00 H new ATOM 167 N ARG A 137 4.770 7.402 1.433 1.00 0.00 N ATOM 168 CA ARG A 137 6.117 7.468 1.970 1.00 0.00 C ATOM 169 C ARG A 137 6.589 6.060 2.293 1.00 0.00 C ATOM 170 O ARG A 137 7.731 5.691 2.020 1.00 0.00 O ATOM 171 CB ARG A 137 6.150 8.332 3.230 1.00 0.00 C ATOM 172 CG ARG A 137 6.000 9.820 2.952 1.00 0.00 C ATOM 173 CD ARG A 137 7.243 10.597 3.360 1.00 0.00 C ATOM 174 NE ARG A 137 8.461 10.029 2.783 1.00 0.00 N ATOM 175 CZ ARG A 137 9.308 9.242 3.446 1.00 0.00 C ATOM 176 NH1 ARG A 137 9.073 8.907 4.709 1.00 0.00 N ATOM 177 NH2 ARG A 137 10.395 8.783 2.840 1.00 0.00 N ATOM 0 H ARG A 137 4.047 7.765 2.054 1.00 0.00 H new ATOM 0 HA ARG A 137 6.778 7.919 1.230 1.00 0.00 H new ATOM 0 HB2 ARG A 137 5.351 8.014 3.900 1.00 0.00 H new ATOM 0 HB3 ARG A 137 7.091 8.162 3.753 1.00 0.00 H new ATOM 0 HG2 ARG A 137 5.807 9.974 1.890 1.00 0.00 H new ATOM 0 HG3 ARG A 137 5.136 10.206 3.493 1.00 0.00 H new ATOM 0 HD2 ARG A 137 7.142 11.635 3.042 1.00 0.00 H new ATOM 0 HD3 ARG A 137 7.326 10.603 4.447 1.00 0.00 H new ATOM 0 HE ARG A 137 8.676 10.249 1.811 1.00 0.00 H new ATOM 0 HH11 ARG A 137 8.238 9.253 5.181 1.00 0.00 H new ATOM 0 HH12 ARG A 137 9.728 8.304 5.207 1.00 0.00 H new ATOM 0 HH21 ARG A 137 10.581 9.033 1.869 1.00 0.00 H new ATOM 0 HH22 ARG A 137 11.045 8.181 3.345 1.00 0.00 H new ATOM 191 N LEU A 138 5.685 5.275 2.872 1.00 0.00 N ATOM 192 CA LEU A 138 5.986 3.895 3.230 1.00 0.00 C ATOM 193 C LEU A 138 6.346 3.070 1.995 1.00 0.00 C ATOM 194 O LEU A 138 7.396 2.431 1.952 1.00 0.00 O ATOM 195 CB LEU A 138 4.792 3.257 3.944 1.00 0.00 C ATOM 196 CG LEU A 138 5.004 1.806 4.374 1.00 0.00 C ATOM 197 CD1 LEU A 138 6.022 1.727 5.500 1.00 0.00 C ATOM 198 CD2 LEU A 138 3.687 1.175 4.800 1.00 0.00 C ATOM 0 H LEU A 138 4.737 5.573 3.103 1.00 0.00 H new ATOM 0 HA LEU A 138 6.845 3.906 3.901 1.00 0.00 H new ATOM 0 HB2 LEU A 138 4.554 3.852 4.826 1.00 0.00 H new ATOM 0 HB3 LEU A 138 3.925 3.303 3.285 1.00 0.00 H new ATOM 0 HG LEU A 138 5.390 1.249 3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 138 6.160 0.686 5.793 1.00 0.00 H new ATOM 0 HD12 LEU A 138 6.973 2.138 5.160 1.00 0.00 H new ATOM 0 HD13 LEU A 138 5.664 2.300 6.355 1.00 0.00 H new ATOM 0 HD21 LEU A 138 3.859 0.142 5.102 1.00 0.00 H new ATOM 0 HD22 LEU A 138 3.270 1.734 5.638 1.00 0.00 H new ATOM 0 HD23 LEU A 138 2.986 1.196 3.965 1.00 0.00 H new ATOM 210 N LEU A 139 5.475 3.096 0.987 1.00 0.00 N ATOM 211 CA LEU A 139 5.715 2.353 -0.243 1.00 0.00 C ATOM 212 C LEU A 139 6.994 2.837 -0.905 1.00 0.00 C ATOM 213 O LEU A 139 7.764 2.050 -1.457 1.00 0.00 O ATOM 214 CB LEU A 139 4.535 2.517 -1.201 1.00 0.00 C ATOM 215 CG LEU A 139 3.299 1.687 -0.853 1.00 0.00 C ATOM 216 CD1 LEU A 139 2.052 2.305 -1.465 1.00 0.00 C ATOM 217 CD2 LEU A 139 3.472 0.252 -1.327 1.00 0.00 C ATOM 0 H LEU A 139 4.601 3.622 1.000 1.00 0.00 H new ATOM 0 HA LEU A 139 5.822 1.297 0.003 1.00 0.00 H new ATOM 0 HB2 LEU A 139 4.252 3.569 -1.228 1.00 0.00 H new ATOM 0 HB3 LEU A 139 4.862 2.250 -2.206 1.00 0.00 H new ATOM 0 HG LEU A 139 3.182 1.680 0.231 1.00 0.00 H new ATOM 0 HD11 LEU A 139 1.182 1.701 -1.207 1.00 0.00 H new ATOM 0 HD12 LEU A 139 1.920 3.316 -1.079 1.00 0.00 H new ATOM 0 HD13 LEU A 139 2.159 2.342 -2.549 1.00 0.00 H new ATOM 0 HD21 LEU A 139 2.583 -0.325 -1.071 1.00 0.00 H new ATOM 0 HD22 LEU A 139 3.614 0.240 -2.408 1.00 0.00 H new ATOM 0 HD23 LEU A 139 4.343 -0.189 -0.842 1.00 0.00 H new ATOM 229 N ALA A 140 7.215 4.142 -0.830 1.00 0.00 N ATOM 230 CA ALA A 140 8.407 4.748 -1.407 1.00 0.00 C ATOM 231 C ALA A 140 9.659 4.240 -0.701 1.00 0.00 C ATOM 232 O ALA A 140 10.715 4.089 -1.315 1.00 0.00 O ATOM 233 CB ALA A 140 8.324 6.264 -1.321 1.00 0.00 C ATOM 0 H ALA A 140 6.584 4.802 -0.375 1.00 0.00 H new ATOM 0 HA ALA A 140 8.466 4.464 -2.458 1.00 0.00 H new ATOM 0 HB1 ALA A 140 9.222 6.703 -1.756 1.00 0.00 H new ATOM 0 HB2 ALA A 140 7.448 6.612 -1.868 1.00 0.00 H new ATOM 0 HB3 ALA A 140 8.242 6.565 -0.277 1.00 0.00 H new ATOM 239 N GLU A 141 9.528 3.975 0.596 1.00 0.00 N ATOM 240 CA GLU A 141 10.639 3.479 1.393 1.00 0.00 C ATOM 241 C GLU A 141 10.880 2.000 1.123 1.00 0.00 C ATOM 242 O GLU A 141 12.011 1.574 0.890 1.00 0.00 O ATOM 243 CB GLU A 141 10.363 3.697 2.882 1.00 0.00 C ATOM 244 CG GLU A 141 10.298 5.163 3.281 1.00 0.00 C ATOM 245 CD GLU A 141 11.433 5.569 4.201 1.00 0.00 C ATOM 246 OE1 GLU A 141 12.536 4.995 4.071 1.00 0.00 O ATOM 247 OE2 GLU A 141 11.220 6.459 5.050 1.00 0.00 O ATOM 0 H GLU A 141 8.659 4.097 1.116 1.00 0.00 H new ATOM 0 HA GLU A 141 11.534 4.034 1.111 1.00 0.00 H new ATOM 0 HB2 GLU A 141 9.420 3.216 3.142 1.00 0.00 H new ATOM 0 HB3 GLU A 141 11.143 3.205 3.463 1.00 0.00 H new ATOM 0 HG2 GLU A 141 10.324 5.781 2.384 1.00 0.00 H new ATOM 0 HG3 GLU A 141 9.347 5.359 3.776 1.00 0.00 H new ATOM 254 N HIS A 142 9.804 1.225 1.152 1.00 0.00 N ATOM 255 CA HIS A 142 9.885 -0.211 0.908 1.00 0.00 C ATOM 256 C HIS A 142 10.270 -0.497 -0.543 1.00 0.00 C ATOM 257 O HIS A 142 10.710 -1.599 -0.870 1.00 0.00 O ATOM 258 CB HIS A 142 8.549 -0.883 1.232 1.00 0.00 C ATOM 259 CG HIS A 142 8.281 -1.015 2.701 1.00 0.00 C ATOM 260 ND1 HIS A 142 8.605 -2.142 3.427 1.00 0.00 N ATOM 261 CD2 HIS A 142 7.712 -0.155 3.579 1.00 0.00 C ATOM 262 CE1 HIS A 142 8.245 -1.969 4.688 1.00 0.00 C ATOM 263 NE2 HIS A 142 7.702 -0.772 4.805 1.00 0.00 N ATOM 0 H HIS A 142 8.862 1.567 1.342 1.00 0.00 H new ATOM 0 HA HIS A 142 10.658 -0.620 1.559 1.00 0.00 H new ATOM 0 HB2 HIS A 142 7.743 -0.309 0.775 1.00 0.00 H new ATOM 0 HB3 HIS A 142 8.531 -1.874 0.778 1.00 0.00 H new ATOM 0 HD1 HIS A 142 9.052 -2.978 3.051 1.00 0.00 H new ATOM 0 HD2 HIS A 142 7.336 0.833 3.356 1.00 0.00 H new ATOM 0 HE1 HIS A 142 8.374 -2.685 5.486 1.00 0.00 H new ATOM 272 N ASN A 143 10.099 0.501 -1.409 1.00 0.00 N ATOM 273 CA ASN A 143 10.427 0.356 -2.825 1.00 0.00 C ATOM 274 C ASN A 143 9.442 -0.583 -3.514 1.00 0.00 C ATOM 275 O ASN A 143 9.836 -1.590 -4.105 1.00 0.00 O ATOM 276 CB ASN A 143 11.858 -0.163 -2.995 1.00 0.00 C ATOM 277 CG ASN A 143 12.853 0.587 -2.133 1.00 0.00 C ATOM 278 OD1 ASN A 143 12.819 1.815 -2.049 1.00 0.00 O ATOM 279 ND2 ASN A 143 13.748 -0.149 -1.484 1.00 0.00 N ATOM 0 H ASN A 143 9.735 1.419 -1.154 1.00 0.00 H new ATOM 0 HA ASN A 143 10.354 1.338 -3.292 1.00 0.00 H new ATOM 0 HB2 ASN A 143 11.889 -1.223 -2.742 1.00 0.00 H new ATOM 0 HB3 ASN A 143 12.151 -0.076 -4.041 1.00 0.00 H new ATOM 0 HD21 ASN A 143 14.443 0.301 -0.888 1.00 0.00 H new ATOM 0 HD22 ASN A 143 13.741 -1.164 -1.582 1.00 0.00 H new ATOM 286 N LEU A 144 8.158 -0.248 -3.435 1.00 0.00 N ATOM 287 CA LEU A 144 7.116 -1.061 -4.052 1.00 0.00 C ATOM 288 C LEU A 144 6.280 -0.234 -5.022 1.00 0.00 C ATOM 289 O LEU A 144 6.506 0.964 -5.192 1.00 0.00 O ATOM 290 CB LEU A 144 6.211 -1.674 -2.983 1.00 0.00 C ATOM 291 CG LEU A 144 6.934 -2.174 -1.734 1.00 0.00 C ATOM 292 CD1 LEU A 144 5.936 -2.515 -0.640 1.00 0.00 C ATOM 293 CD2 LEU A 144 7.798 -3.381 -2.066 1.00 0.00 C ATOM 0 H LEU A 144 7.814 0.581 -2.950 1.00 0.00 H new ATOM 0 HA LEU A 144 7.604 -1.861 -4.608 1.00 0.00 H new ATOM 0 HB2 LEU A 144 5.472 -0.930 -2.684 1.00 0.00 H new ATOM 0 HB3 LEU A 144 5.664 -2.506 -3.425 1.00 0.00 H new ATOM 0 HG LEU A 144 7.582 -1.377 -1.369 1.00 0.00 H new ATOM 0 HD11 LEU A 144 6.470 -2.869 0.242 1.00 0.00 H new ATOM 0 HD12 LEU A 144 5.360 -1.626 -0.383 1.00 0.00 H new ATOM 0 HD13 LEU A 144 5.261 -3.295 -0.993 1.00 0.00 H new ATOM 0 HD21 LEU A 144 8.306 -3.724 -1.165 1.00 0.00 H new ATOM 0 HD22 LEU A 144 7.170 -4.182 -2.456 1.00 0.00 H new ATOM 0 HD23 LEU A 144 8.538 -3.103 -2.816 1.00 0.00 H new ATOM 305 N ASP A 145 5.313 -0.887 -5.655 1.00 0.00 N ATOM 306 CA ASP A 145 4.435 -0.221 -6.610 1.00 0.00 C ATOM 307 C ASP A 145 2.972 -0.417 -6.230 1.00 0.00 C ATOM 308 O ASP A 145 2.457 -1.535 -6.263 1.00 0.00 O ATOM 309 CB ASP A 145 4.683 -0.755 -8.022 1.00 0.00 C ATOM 310 CG ASP A 145 4.188 0.195 -9.095 1.00 0.00 C ATOM 311 OD1 ASP A 145 4.300 1.423 -8.899 1.00 0.00 O ATOM 312 OD2 ASP A 145 3.689 -0.289 -10.132 1.00 0.00 O ATOM 0 H ASP A 145 5.117 -1.879 -5.524 1.00 0.00 H new ATOM 0 HA ASP A 145 4.658 0.846 -6.589 1.00 0.00 H new ATOM 0 HB2 ASP A 145 5.750 -0.929 -8.159 1.00 0.00 H new ATOM 0 HB3 ASP A 145 4.185 -1.718 -8.136 1.00 0.00 H new ATOM 317 N ALA A 146 2.307 0.676 -5.868 1.00 0.00 N ATOM 318 CA ALA A 146 0.900 0.627 -5.481 1.00 0.00 C ATOM 319 C ALA A 146 0.073 -0.164 -6.489 1.00 0.00 C ATOM 320 O ALA A 146 -0.718 -1.030 -6.117 1.00 0.00 O ATOM 321 CB ALA A 146 0.347 2.036 -5.333 1.00 0.00 C ATOM 0 H ALA A 146 2.720 1.608 -5.834 1.00 0.00 H new ATOM 0 HA ALA A 146 0.833 0.116 -4.521 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -0.703 1.986 -5.044 1.00 0.00 H new ATOM 0 HB2 ALA A 146 0.909 2.569 -4.566 1.00 0.00 H new ATOM 0 HB3 ALA A 146 0.438 2.564 -6.282 1.00 0.00 H new ATOM 327 N SER A 147 0.267 0.137 -7.770 1.00 0.00 N ATOM 328 CA SER A 147 -0.456 -0.545 -8.836 1.00 0.00 C ATOM 329 C SER A 147 -0.220 -2.054 -8.786 1.00 0.00 C ATOM 330 O SER A 147 -1.010 -2.832 -9.320 1.00 0.00 O ATOM 331 CB SER A 147 -0.033 0.003 -10.199 1.00 0.00 C ATOM 332 OG SER A 147 -1.135 0.076 -11.086 1.00 0.00 O ATOM 0 H SER A 147 0.920 0.850 -8.094 1.00 0.00 H new ATOM 0 HA SER A 147 -1.520 -0.360 -8.690 1.00 0.00 H new ATOM 0 HB2 SER A 147 0.404 0.994 -10.076 1.00 0.00 H new ATOM 0 HB3 SER A 147 0.740 -0.636 -10.627 1.00 0.00 H new ATOM 0 HG SER A 147 -0.837 0.431 -11.949 1.00 0.00 H new ATOM 338 N ALA A 148 0.871 -2.462 -8.142 1.00 0.00 N ATOM 339 CA ALA A 148 1.204 -3.876 -8.027 1.00 0.00 C ATOM 340 C ALA A 148 0.600 -4.485 -6.765 1.00 0.00 C ATOM 341 O ALA A 148 0.369 -5.692 -6.697 1.00 0.00 O ATOM 342 CB ALA A 148 2.714 -4.064 -8.034 1.00 0.00 C ATOM 0 H ALA A 148 1.537 -1.833 -7.693 1.00 0.00 H new ATOM 0 HA ALA A 148 0.779 -4.394 -8.887 1.00 0.00 H new ATOM 0 HB1 ALA A 148 2.949 -5.125 -7.947 1.00 0.00 H new ATOM 0 HB2 ALA A 148 3.125 -3.676 -8.966 1.00 0.00 H new ATOM 0 HB3 ALA A 148 3.152 -3.526 -7.193 1.00 0.00 H new ATOM 348 N ILE A 149 0.348 -3.643 -5.768 1.00 0.00 N ATOM 349 CA ILE A 149 -0.227 -4.100 -4.509 1.00 0.00 C ATOM 350 C ILE A 149 -1.744 -3.940 -4.510 1.00 0.00 C ATOM 351 O ILE A 149 -2.298 -3.191 -5.314 1.00 0.00 O ATOM 352 CB ILE A 149 0.361 -3.332 -3.310 1.00 0.00 C ATOM 353 CG1 ILE A 149 1.877 -3.187 -3.461 1.00 0.00 C ATOM 354 CG2 ILE A 149 0.021 -4.038 -2.007 1.00 0.00 C ATOM 355 CD1 ILE A 149 2.525 -2.403 -2.342 1.00 0.00 C ATOM 0 H ILE A 149 0.533 -2.641 -5.808 1.00 0.00 H new ATOM 0 HA ILE A 149 0.024 -5.156 -4.410 1.00 0.00 H new ATOM 0 HB ILE A 149 -0.081 -2.336 -3.287 1.00 0.00 H new ATOM 0 HG12 ILE A 149 2.326 -4.179 -3.505 1.00 0.00 H new ATOM 0 HG13 ILE A 149 2.094 -2.696 -4.410 1.00 0.00 H new ATOM 0 HG21 ILE A 149 0.444 -3.482 -1.171 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -1.062 -4.094 -1.895 1.00 0.00 H new ATOM 0 HG23 ILE A 149 0.437 -5.046 -2.020 1.00 0.00 H new ATOM 0 HD11 ILE A 149 3.599 -2.341 -2.516 1.00 0.00 H new ATOM 0 HD12 ILE A 149 2.104 -1.398 -2.311 1.00 0.00 H new ATOM 0 HD13 ILE A 149 2.340 -2.904 -1.392 1.00 0.00 H new ATOM 367 N LYS A 150 -2.411 -4.650 -3.606 1.00 0.00 N ATOM 368 CA LYS A 150 -3.866 -4.588 -3.506 1.00 0.00 C ATOM 369 C LYS A 150 -4.296 -3.654 -2.380 1.00 0.00 C ATOM 370 O LYS A 150 -3.487 -3.264 -1.538 1.00 0.00 O ATOM 371 CB LYS A 150 -4.441 -5.987 -3.274 1.00 0.00 C ATOM 372 CG LYS A 150 -4.934 -6.659 -4.546 1.00 0.00 C ATOM 373 CD LYS A 150 -4.369 -8.064 -4.694 1.00 0.00 C ATOM 374 CE LYS A 150 -3.308 -8.127 -5.782 1.00 0.00 C ATOM 375 NZ LYS A 150 -3.838 -8.716 -7.042 1.00 0.00 N ATOM 0 H LYS A 150 -1.968 -5.275 -2.932 1.00 0.00 H new ATOM 0 HA LYS A 150 -4.254 -4.194 -4.446 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -3.677 -6.614 -2.814 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -5.266 -5.919 -2.565 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -6.023 -6.704 -4.536 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -4.648 -6.059 -5.410 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -3.939 -8.386 -3.746 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -5.175 -8.758 -4.930 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -2.932 -7.123 -5.981 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -2.463 -8.720 -5.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -3.084 -8.741 -7.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -4.174 -9.683 -6.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -4.627 -8.136 -7.391 1.00 0.00 H new ATOM 389 N GLY A 151 -5.577 -3.299 -2.372 1.00 0.00 N ATOM 390 CA GLY A 151 -6.098 -2.415 -1.346 1.00 0.00 C ATOM 391 C GLY A 151 -7.359 -2.955 -0.700 1.00 0.00 C ATOM 392 O GLY A 151 -8.324 -3.285 -1.389 1.00 0.00 O ATOM 0 H GLY A 151 -6.264 -3.609 -3.059 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -5.337 -2.264 -0.580 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -6.307 -1.439 -1.784 1.00 0.00 H new ATOM 396 N THR A 152 -7.350 -3.050 0.625 1.00 0.00 N ATOM 397 CA THR A 152 -8.501 -3.556 1.364 1.00 0.00 C ATOM 398 C THR A 152 -9.110 -2.467 2.242 1.00 0.00 C ATOM 399 O THR A 152 -9.683 -2.752 3.294 1.00 0.00 O ATOM 400 CB THR A 152 -8.094 -4.753 2.226 1.00 0.00 C ATOM 401 OG1 THR A 152 -9.223 -5.311 2.874 1.00 0.00 O ATOM 402 CG2 THR A 152 -7.079 -4.404 3.293 1.00 0.00 C ATOM 0 H THR A 152 -6.558 -2.783 1.210 1.00 0.00 H new ATOM 0 HA THR A 152 -9.252 -3.875 0.641 1.00 0.00 H new ATOM 0 HB THR A 152 -7.642 -5.466 1.536 1.00 0.00 H new ATOM 0 HG1 THR A 152 -9.678 -4.616 3.394 1.00 0.00 H new ATOM 0 HG21 THR A 152 -6.834 -5.297 3.868 1.00 0.00 H new ATOM 0 HG22 THR A 152 -6.176 -4.016 2.823 1.00 0.00 H new ATOM 0 HG23 THR A 152 -7.496 -3.647 3.958 1.00 0.00 H new ATOM 410 N GLY A 153 -8.983 -1.219 1.803 1.00 0.00 N ATOM 411 CA GLY A 153 -9.526 -0.107 2.562 1.00 0.00 C ATOM 412 C GLY A 153 -11.040 -0.125 2.611 1.00 0.00 C ATOM 413 O GLY A 153 -11.639 -1.017 3.212 1.00 0.00 O ATOM 0 H GLY A 153 -8.514 -0.958 0.936 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.132 -0.137 3.578 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -9.191 0.830 2.118 1.00 0.00 H new ATOM 417 N VAL A 154 -11.660 0.866 1.978 1.00 0.00 N ATOM 418 CA VAL A 154 -13.114 0.963 1.952 1.00 0.00 C ATOM 419 C VAL A 154 -13.678 0.419 0.644 1.00 0.00 C ATOM 420 O VAL A 154 -14.695 0.900 0.145 1.00 0.00 O ATOM 421 CB VAL A 154 -13.584 2.419 2.135 1.00 0.00 C ATOM 422 CG1 VAL A 154 -15.089 2.472 2.349 1.00 0.00 C ATOM 423 CG2 VAL A 154 -12.850 3.076 3.294 1.00 0.00 C ATOM 0 H VAL A 154 -11.178 1.612 1.477 1.00 0.00 H new ATOM 0 HA VAL A 154 -13.486 0.363 2.782 1.00 0.00 H new ATOM 0 HB VAL A 154 -13.350 2.973 1.226 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -15.402 3.508 2.476 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -15.595 2.044 1.484 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -15.350 1.902 3.241 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -13.195 4.104 3.408 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -13.050 2.523 4.212 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -11.778 3.073 3.094 1.00 0.00 H new ATOM 433 N GLY A 155 -13.014 -0.594 0.093 1.00 0.00 N ATOM 434 CA GLY A 155 -13.468 -1.190 -1.149 1.00 0.00 C ATOM 435 C GLY A 155 -12.449 -1.078 -2.269 1.00 0.00 C ATOM 436 O GLY A 155 -12.810 -1.115 -3.446 1.00 0.00 O ATOM 0 H GLY A 155 -12.170 -1.012 0.485 1.00 0.00 H new ATOM 0 HA2 GLY A 155 -13.697 -2.242 -0.978 1.00 0.00 H new ATOM 0 HA3 GLY A 155 -14.395 -0.708 -1.459 1.00 0.00 H new ATOM 440 N GLY A 156 -11.176 -0.945 -1.908 1.00 0.00 N ATOM 441 CA GLY A 156 -10.132 -0.838 -2.912 1.00 0.00 C ATOM 442 C GLY A 156 -9.176 0.309 -2.648 1.00 0.00 C ATOM 443 O GLY A 156 -9.079 1.240 -3.448 1.00 0.00 O ATOM 0 H GLY A 156 -10.850 -0.909 -0.942 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.571 -1.772 -2.946 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -10.590 -0.705 -3.892 1.00 0.00 H new ATOM 447 N ARG A 157 -8.462 0.241 -1.529 1.00 0.00 N ATOM 448 CA ARG A 157 -7.502 1.279 -1.168 1.00 0.00 C ATOM 449 C ARG A 157 -6.260 0.670 -0.526 1.00 0.00 C ATOM 450 O ARG A 157 -6.358 -0.223 0.315 1.00 0.00 O ATOM 451 CB ARG A 157 -8.134 2.290 -0.209 1.00 0.00 C ATOM 452 CG ARG A 157 -9.484 2.815 -0.670 1.00 0.00 C ATOM 453 CD ARG A 157 -9.551 4.331 -0.588 1.00 0.00 C ATOM 454 NE ARG A 157 -9.344 4.815 0.776 1.00 0.00 N ATOM 455 CZ ARG A 157 -8.903 6.036 1.073 1.00 0.00 C ATOM 456 NH1 ARG A 157 -8.626 6.905 0.108 1.00 0.00 N ATOM 457 NH2 ARG A 157 -8.741 6.390 2.341 1.00 0.00 N ATOM 0 H ARG A 157 -8.530 -0.522 -0.856 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.209 1.793 -2.083 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -8.251 1.824 0.769 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -7.452 3.131 -0.082 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -9.668 2.497 -1.696 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -10.273 2.381 -0.056 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -8.796 4.763 -1.245 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -10.521 4.671 -0.950 1.00 0.00 H new ATOM 0 HE ARG A 157 -9.550 4.179 1.547 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -8.751 6.639 -0.869 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -8.289 7.838 0.344 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -8.954 5.727 3.087 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -8.403 7.325 2.570 1.00 0.00 H new ATOM 471 N LEU A 158 -5.092 1.161 -0.926 1.00 0.00 N ATOM 472 CA LEU A 158 -3.831 0.666 -0.387 1.00 0.00 C ATOM 473 C LEU A 158 -3.675 1.071 1.076 1.00 0.00 C ATOM 474 O LEU A 158 -3.741 2.253 1.411 1.00 0.00 O ATOM 475 CB LEU A 158 -2.658 1.206 -1.207 1.00 0.00 C ATOM 476 CG LEU A 158 -1.462 0.259 -1.343 1.00 0.00 C ATOM 477 CD1 LEU A 158 -0.860 -0.044 0.022 1.00 0.00 C ATOM 478 CD2 LEU A 158 -1.873 -1.027 -2.046 1.00 0.00 C ATOM 0 H LEU A 158 -4.992 1.901 -1.621 1.00 0.00 H new ATOM 0 HA LEU A 158 -3.836 -0.422 -0.447 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -3.018 1.455 -2.205 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -2.315 2.135 -0.751 1.00 0.00 H new ATOM 0 HG LEU A 158 -0.703 0.752 -1.950 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -0.012 -0.718 -0.096 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -0.524 0.884 0.486 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -1.612 -0.515 0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -1.009 -1.686 -2.133 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -2.652 -1.524 -1.469 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -2.252 -0.793 -3.041 1.00 0.00 H new ATOM 490 N THR A 159 -3.470 0.084 1.943 1.00 0.00 N ATOM 491 CA THR A 159 -3.306 0.344 3.369 1.00 0.00 C ATOM 492 C THR A 159 -2.054 -0.338 3.911 1.00 0.00 C ATOM 493 O THR A 159 -1.453 -1.182 3.243 1.00 0.00 O ATOM 494 CB THR A 159 -4.538 -0.133 4.142 1.00 0.00 C ATOM 495 OG1 THR A 159 -5.196 -1.174 3.444 1.00 0.00 O ATOM 496 CG2 THR A 159 -5.552 0.964 4.391 1.00 0.00 C ATOM 0 H THR A 159 -3.414 -0.901 1.684 1.00 0.00 H new ATOM 0 HA THR A 159 -3.195 1.420 3.504 1.00 0.00 H new ATOM 0 HB THR A 159 -4.158 -0.480 5.103 1.00 0.00 H new ATOM 0 HG1 THR A 159 -4.530 -1.779 3.056 1.00 0.00 H new ATOM 0 HG21 THR A 159 -6.399 0.558 4.943 1.00 0.00 H new ATOM 0 HG22 THR A 159 -5.089 1.762 4.972 1.00 0.00 H new ATOM 0 HG23 THR A 159 -5.898 1.363 3.437 1.00 0.00 H new ATOM 504 N ARG A 160 -1.670 0.029 5.131 1.00 0.00 N ATOM 505 CA ARG A 160 -0.491 -0.547 5.768 1.00 0.00 C ATOM 506 C ARG A 160 -0.595 -2.067 5.817 1.00 0.00 C ATOM 507 O ARG A 160 0.413 -2.771 5.776 1.00 0.00 O ATOM 508 CB ARG A 160 -0.326 0.011 7.182 1.00 0.00 C ATOM 509 CG ARG A 160 1.020 -0.312 7.812 1.00 0.00 C ATOM 510 CD ARG A 160 1.980 0.863 7.718 1.00 0.00 C ATOM 511 NE ARG A 160 2.537 1.220 9.020 1.00 0.00 N ATOM 512 CZ ARG A 160 3.382 2.230 9.213 1.00 0.00 C ATOM 513 NH1 ARG A 160 3.767 2.988 8.193 1.00 0.00 N ATOM 514 NH2 ARG A 160 3.843 2.485 10.430 1.00 0.00 N ATOM 0 H ARG A 160 -2.159 0.722 5.697 1.00 0.00 H new ATOM 0 HA ARG A 160 0.384 -0.277 5.176 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -0.454 1.093 7.154 1.00 0.00 H new ATOM 0 HB3 ARG A 160 -1.119 -0.387 7.815 1.00 0.00 H new ATOM 0 HG2 ARG A 160 0.877 -0.582 8.858 1.00 0.00 H new ATOM 0 HG3 ARG A 160 1.456 -1.179 7.315 1.00 0.00 H new ATOM 0 HD2 ARG A 160 2.790 0.615 7.033 1.00 0.00 H new ATOM 0 HD3 ARG A 160 1.460 1.724 7.298 1.00 0.00 H new ATOM 0 HE ARG A 160 2.262 0.663 9.829 1.00 0.00 H new ATOM 0 HH11 ARG A 160 3.415 2.798 7.255 1.00 0.00 H new ATOM 0 HH12 ARG A 160 4.415 3.761 8.348 1.00 0.00 H new ATOM 0 HH21 ARG A 160 3.550 1.907 11.218 1.00 0.00 H new ATOM 0 HH22 ARG A 160 4.491 3.259 10.578 1.00 0.00 H new ATOM 528 N GLU A 161 -1.825 -2.565 5.890 1.00 0.00 N ATOM 529 CA GLU A 161 -2.066 -4.001 5.928 1.00 0.00 C ATOM 530 C GLU A 161 -1.729 -4.626 4.581 1.00 0.00 C ATOM 531 O GLU A 161 -1.205 -5.738 4.511 1.00 0.00 O ATOM 532 CB GLU A 161 -3.523 -4.289 6.291 1.00 0.00 C ATOM 533 CG GLU A 161 -4.009 -3.520 7.511 1.00 0.00 C ATOM 534 CD GLU A 161 -5.415 -2.980 7.337 1.00 0.00 C ATOM 535 OE1 GLU A 161 -5.712 -2.435 6.254 1.00 0.00 O ATOM 536 OE2 GLU A 161 -6.218 -3.103 8.285 1.00 0.00 O ATOM 0 H GLU A 161 -2.670 -1.994 5.924 1.00 0.00 H new ATOM 0 HA GLU A 161 -1.424 -4.440 6.692 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -4.157 -4.042 5.439 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -3.639 -5.357 6.475 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -3.980 -4.173 8.383 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -3.328 -2.693 7.710 1.00 0.00 H new ATOM 543 N ASP A 162 -2.033 -3.899 3.510 1.00 0.00 N ATOM 544 CA ASP A 162 -1.762 -4.376 2.160 1.00 0.00 C ATOM 545 C ASP A 162 -0.261 -4.448 1.907 1.00 0.00 C ATOM 546 O ASP A 162 0.240 -5.424 1.350 1.00 0.00 O ATOM 547 CB ASP A 162 -2.424 -3.459 1.131 1.00 0.00 C ATOM 548 CG ASP A 162 -3.935 -3.574 1.144 1.00 0.00 C ATOM 549 OD1 ASP A 162 -4.452 -4.659 0.802 1.00 0.00 O ATOM 550 OD2 ASP A 162 -4.604 -2.579 1.496 1.00 0.00 O ATOM 0 H ASP A 162 -2.467 -2.977 3.552 1.00 0.00 H new ATOM 0 HA ASP A 162 -2.179 -5.378 2.060 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -2.139 -2.426 1.332 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -2.052 -3.705 0.136 1.00 0.00 H new ATOM 555 N VAL A 163 0.453 -3.406 2.322 1.00 0.00 N ATOM 556 CA VAL A 163 1.899 -3.352 2.144 1.00 0.00 C ATOM 557 C VAL A 163 2.597 -4.403 3.002 1.00 0.00 C ATOM 558 O VAL A 163 3.581 -5.010 2.579 1.00 0.00 O ATOM 559 CB VAL A 163 2.459 -1.959 2.493 1.00 0.00 C ATOM 560 CG1 VAL A 163 3.952 -1.891 2.209 1.00 0.00 C ATOM 561 CG2 VAL A 163 1.715 -0.879 1.725 1.00 0.00 C ATOM 0 H VAL A 163 0.054 -2.589 2.783 1.00 0.00 H new ATOM 0 HA VAL A 163 2.097 -3.557 1.092 1.00 0.00 H new ATOM 0 HB VAL A 163 2.310 -1.787 3.559 1.00 0.00 H new ATOM 0 HG11 VAL A 163 4.326 -0.899 2.463 1.00 0.00 H new ATOM 0 HG12 VAL A 163 4.471 -2.639 2.809 1.00 0.00 H new ATOM 0 HG13 VAL A 163 4.131 -2.087 1.152 1.00 0.00 H new ATOM 0 HG21 VAL A 163 2.123 0.098 1.983 1.00 0.00 H new ATOM 0 HG22 VAL A 163 1.830 -1.049 0.654 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.657 -0.911 1.985 1.00 0.00 H new ATOM 571 N GLU A 164 2.080 -4.614 4.208 1.00 0.00 N ATOM 572 CA GLU A 164 2.653 -5.595 5.122 1.00 0.00 C ATOM 573 C GLU A 164 2.459 -7.008 4.586 1.00 0.00 C ATOM 574 O GLU A 164 3.393 -7.810 4.568 1.00 0.00 O ATOM 575 CB GLU A 164 2.018 -5.467 6.507 1.00 0.00 C ATOM 576 CG GLU A 164 2.538 -4.284 7.309 1.00 0.00 C ATOM 577 CD GLU A 164 4.027 -4.372 7.579 1.00 0.00 C ATOM 578 OE1 GLU A 164 4.527 -5.497 7.787 1.00 0.00 O ATOM 579 OE2 GLU A 164 4.694 -3.315 7.583 1.00 0.00 O ATOM 0 H GLU A 164 1.267 -4.120 4.575 1.00 0.00 H new ATOM 0 HA GLU A 164 3.722 -5.400 5.205 1.00 0.00 H new ATOM 0 HB2 GLU A 164 0.938 -5.372 6.395 1.00 0.00 H new ATOM 0 HB3 GLU A 164 2.201 -6.384 7.067 1.00 0.00 H new ATOM 0 HG2 GLU A 164 2.324 -3.362 6.769 1.00 0.00 H new ATOM 0 HG3 GLU A 164 2.003 -4.229 8.257 1.00 0.00 H new ATOM 586 N LYS A 165 1.242 -7.305 4.144 1.00 0.00 N ATOM 587 CA LYS A 165 0.925 -8.619 3.601 1.00 0.00 C ATOM 588 C LYS A 165 1.703 -8.867 2.313 1.00 0.00 C ATOM 589 O LYS A 165 2.121 -9.991 2.033 1.00 0.00 O ATOM 590 CB LYS A 165 -0.576 -8.738 3.336 1.00 0.00 C ATOM 591 CG LYS A 165 -1.386 -9.094 4.572 1.00 0.00 C ATOM 592 CD LYS A 165 -2.595 -8.186 4.732 1.00 0.00 C ATOM 593 CE LYS A 165 -3.812 -8.957 5.216 1.00 0.00 C ATOM 594 NZ LYS A 165 -5.067 -8.473 4.577 1.00 0.00 N ATOM 0 H LYS A 165 0.458 -6.652 4.152 1.00 0.00 H new ATOM 0 HA LYS A 165 1.214 -9.371 4.335 1.00 0.00 H new ATOM 0 HB2 LYS A 165 -0.941 -7.794 2.932 1.00 0.00 H new ATOM 0 HB3 LYS A 165 -0.742 -9.497 2.572 1.00 0.00 H new ATOM 0 HG2 LYS A 165 -1.716 -10.131 4.505 1.00 0.00 H new ATOM 0 HG3 LYS A 165 -0.753 -9.017 5.456 1.00 0.00 H new ATOM 0 HD2 LYS A 165 -2.362 -7.390 5.440 1.00 0.00 H new ATOM 0 HD3 LYS A 165 -2.821 -7.709 3.779 1.00 0.00 H new ATOM 0 HE2 LYS A 165 -3.680 -10.017 4.999 1.00 0.00 H new ATOM 0 HE3 LYS A 165 -3.896 -8.861 6.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 -5.873 -9.024 4.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 -5.207 -7.468 4.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 -4.998 -8.588 3.546 1.00 0.00 H new ATOM 608 N TRP A 166 1.896 -7.807 1.534 1.00 0.00 N ATOM 609 CA TRP A 166 2.626 -7.904 0.276 1.00 0.00 C ATOM 610 C TRP A 166 4.118 -8.091 0.528 1.00 0.00 C ATOM 611 O TRP A 166 4.770 -8.909 -0.121 1.00 0.00 O ATOM 612 CB TRP A 166 2.393 -6.650 -0.568 1.00 0.00 C ATOM 613 CG TRP A 166 2.866 -6.790 -1.984 1.00 0.00 C ATOM 614 CD1 TRP A 166 4.108 -6.492 -2.465 1.00 0.00 C ATOM 615 CD2 TRP A 166 2.104 -7.262 -3.100 1.00 0.00 C ATOM 616 NE1 TRP A 166 4.165 -6.751 -3.813 1.00 0.00 N ATOM 617 CE2 TRP A 166 2.947 -7.225 -4.225 1.00 0.00 C ATOM 618 CE3 TRP A 166 0.790 -7.714 -3.256 1.00 0.00 C ATOM 619 CZ2 TRP A 166 2.520 -7.622 -5.490 1.00 0.00 C ATOM 620 CZ3 TRP A 166 0.367 -8.108 -4.511 1.00 0.00 C ATOM 621 CH2 TRP A 166 1.229 -8.060 -5.615 1.00 0.00 C ATOM 0 H TRP A 166 1.556 -6.870 1.753 1.00 0.00 H new ATOM 0 HA TRP A 166 2.255 -8.774 -0.267 1.00 0.00 H new ATOM 0 HB2 TRP A 166 1.329 -6.415 -0.570 1.00 0.00 H new ATOM 0 HB3 TRP A 166 2.905 -5.808 -0.103 1.00 0.00 H new ATOM 0 HD1 TRP A 166 4.926 -6.109 -1.873 1.00 0.00 H new ATOM 0 HE1 TRP A 166 4.981 -6.613 -4.410 1.00 0.00 H new ATOM 0 HE3 TRP A 166 0.118 -7.754 -2.411 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 3.183 -7.586 -6.341 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 -0.646 -8.459 -4.644 1.00 0.00 H new ATOM 0 HH2 TRP A 166 0.868 -8.375 -6.583 1.00 0.00 H new ATOM 632 N LEU A 167 4.653 -7.326 1.475 1.00 0.00 N ATOM 633 CA LEU A 167 6.068 -7.407 1.814 1.00 0.00 C ATOM 634 C LEU A 167 6.427 -8.799 2.324 1.00 0.00 C ATOM 635 O LEU A 167 7.472 -9.349 1.980 1.00 0.00 O ATOM 636 CB LEU A 167 6.424 -6.358 2.868 1.00 0.00 C ATOM 637 CG LEU A 167 6.456 -4.915 2.362 1.00 0.00 C ATOM 638 CD1 LEU A 167 6.309 -3.941 3.520 1.00 0.00 C ATOM 639 CD2 LEU A 167 7.745 -4.648 1.599 1.00 0.00 C ATOM 0 H LEU A 167 4.127 -6.643 2.021 1.00 0.00 H new ATOM 0 HA LEU A 167 6.643 -7.211 0.909 1.00 0.00 H new ATOM 0 HB2 LEU A 167 5.703 -6.425 3.683 1.00 0.00 H new ATOM 0 HB3 LEU A 167 7.401 -6.602 3.286 1.00 0.00 H new ATOM 0 HG LEU A 167 5.617 -4.769 1.682 1.00 0.00 H new ATOM 0 HD11 LEU A 167 6.334 -2.919 3.141 1.00 0.00 H new ATOM 0 HD12 LEU A 167 5.360 -4.118 4.026 1.00 0.00 H new ATOM 0 HD13 LEU A 167 7.128 -4.087 4.224 1.00 0.00 H new ATOM 0 HD21 LEU A 167 7.752 -3.617 1.246 1.00 0.00 H new ATOM 0 HD22 LEU A 167 8.598 -4.812 2.257 1.00 0.00 H new ATOM 0 HD23 LEU A 167 7.810 -5.324 0.746 1.00 0.00 H new ATOM 651 N ALA A 168 5.549 -9.360 3.146 1.00 0.00 N ATOM 652 CA ALA A 168 5.766 -10.687 3.709 1.00 0.00 C ATOM 653 C ALA A 168 5.852 -11.740 2.609 1.00 0.00 C ATOM 654 O ALA A 168 6.547 -12.747 2.751 1.00 0.00 O ATOM 655 CB ALA A 168 4.656 -11.033 4.688 1.00 0.00 C ATOM 0 H ALA A 168 4.678 -8.916 3.438 1.00 0.00 H new ATOM 0 HA ALA A 168 6.716 -10.678 4.244 1.00 0.00 H new ATOM 0 HB1 ALA A 168 4.831 -12.027 5.100 1.00 0.00 H new ATOM 0 HB2 ALA A 168 4.643 -10.302 5.496 1.00 0.00 H new ATOM 0 HB3 ALA A 168 3.697 -11.019 4.170 1.00 0.00 H new ATOM 661 N LYS A 169 5.140 -11.502 1.513 1.00 0.00 N ATOM 662 CA LYS A 169 5.134 -12.430 0.388 1.00 0.00 C ATOM 663 C LYS A 169 6.345 -12.202 -0.510 1.00 0.00 C ATOM 664 O LYS A 169 6.868 -13.140 -1.113 1.00 0.00 O ATOM 665 CB LYS A 169 3.846 -12.274 -0.423 1.00 0.00 C ATOM 666 CG LYS A 169 2.581 -12.432 0.408 1.00 0.00 C ATOM 667 CD LYS A 169 1.756 -13.624 -0.050 1.00 0.00 C ATOM 668 CE LYS A 169 0.581 -13.192 -0.912 1.00 0.00 C ATOM 669 NZ LYS A 169 0.325 -14.147 -2.024 1.00 0.00 N ATOM 0 H LYS A 169 4.559 -10.674 1.380 1.00 0.00 H new ATOM 0 HA LYS A 169 5.184 -13.444 0.785 1.00 0.00 H new ATOM 0 HB2 LYS A 169 3.840 -11.292 -0.895 1.00 0.00 H new ATOM 0 HB3 LYS A 169 3.839 -13.013 -1.224 1.00 0.00 H new ATOM 0 HG2 LYS A 169 2.848 -12.555 1.458 1.00 0.00 H new ATOM 0 HG3 LYS A 169 1.982 -11.524 0.336 1.00 0.00 H new ATOM 0 HD2 LYS A 169 2.388 -14.310 -0.613 1.00 0.00 H new ATOM 0 HD3 LYS A 169 1.389 -14.169 0.820 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -0.312 -13.109 -0.293 1.00 0.00 H new ATOM 0 HE3 LYS A 169 0.777 -12.202 -1.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -0.484 -13.815 -2.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 1.168 -14.208 -2.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 0.112 -15.087 -1.633 1.00 0.00 H new ATOM 683 N ALA A 170 6.787 -10.951 -0.595 1.00 0.00 N ATOM 684 CA ALA A 170 7.937 -10.601 -1.419 1.00 0.00 C ATOM 685 C ALA A 170 9.243 -10.857 -0.675 1.00 0.00 C ATOM 686 O ALA A 170 9.202 -10.969 0.569 1.00 0.00 O ATOM 687 CB ALA A 170 7.851 -9.146 -1.853 1.00 0.00 C ATOM 688 OXT ALA A 170 10.295 -10.946 -1.342 1.00 0.00 O ATOM 0 H ALA A 170 6.366 -10.163 -0.103 1.00 0.00 H new ATOM 0 HA ALA A 170 7.924 -11.235 -2.306 1.00 0.00 H new ATOM 0 HB1 ALA A 170 8.716 -8.898 -2.468 1.00 0.00 H new ATOM 0 HB2 ALA A 170 6.939 -8.992 -2.430 1.00 0.00 H new ATOM 0 HB3 ALA A 170 7.836 -8.504 -0.972 1.00 0.00 H new