USER MOD reduce.3.24.130724 H: found=0, std=0, add=348, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 351 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 127 ASN : amide:sc= -0.0151 X(o=-0.015,f=-0.39) USER MOD Set 1.2: A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 126 GLN : amide:sc= -0.29 X(o=-0.29,f=-0.12) USER MOD Single : A 128 ASN : amide:sc= 0.353 K(o=0.35,f=-4.1!) USER MOD Single : A 142 HIS : no HE2:sc= -7.36! C(o=-7.4!,f=-8.8!) USER MOD Single : A 143 ASN : amide:sc= 0.0513 X(o=0.051,f=0) 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 -77:sc= 1.25 USER MOD Single : A 159 THR OG1 : rot 38:sc= 0.831 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 1 N GLN A 126 -10.641 12.647 5.196 1.00 0.00 N ATOM 2 CA GLN A 126 -9.912 13.504 4.225 1.00 0.00 C ATOM 3 C GLN A 126 -8.577 12.876 3.832 1.00 0.00 C ATOM 4 O GLN A 126 -7.537 13.191 4.410 1.00 0.00 O ATOM 5 CB GLN A 126 -9.684 14.877 4.860 1.00 0.00 C ATOM 6 CG GLN A 126 -10.684 15.928 4.407 1.00 0.00 C ATOM 7 CD GLN A 126 -10.034 17.271 4.132 1.00 0.00 C ATOM 8 OE1 GLN A 126 -10.489 18.305 4.622 1.00 0.00 O ATOM 9 NE2 GLN A 126 -8.965 17.262 3.346 1.00 0.00 N ATOM 0 HA GLN A 126 -10.508 13.605 3.318 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -9.737 14.780 5.944 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -8.677 15.217 4.619 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -11.187 15.580 3.505 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -11.450 16.049 5.173 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -8.622 16.382 2.961 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -8.486 18.135 3.126 1.00 0.00 H new ATOM 20 N ASN A 127 -8.615 11.988 2.844 1.00 0.00 N ATOM 21 CA ASN A 127 -7.410 11.317 2.372 1.00 0.00 C ATOM 22 C ASN A 127 -7.348 11.317 0.847 1.00 0.00 C ATOM 23 O ASN A 127 -8.222 11.873 0.181 1.00 0.00 O ATOM 24 CB ASN A 127 -7.361 9.881 2.896 1.00 0.00 C ATOM 25 CG ASN A 127 -6.724 9.787 4.268 1.00 0.00 C ATOM 26 OD1 ASN A 127 -5.583 9.346 4.406 1.00 0.00 O ATOM 27 ND2 ASN A 127 -7.460 10.201 5.292 1.00 0.00 N ATOM 0 H ASN A 127 -9.468 11.716 2.355 1.00 0.00 H new ATOM 0 HA ASN A 127 -6.548 11.864 2.753 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -8.373 9.479 2.940 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -6.802 9.261 2.196 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -7.084 10.161 6.239 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -8.401 10.559 5.132 1.00 0.00 H new ATOM 34 N ASN A 128 -6.311 10.691 0.302 1.00 0.00 N ATOM 35 CA ASN A 128 -6.136 10.619 -1.143 1.00 0.00 C ATOM 36 C ASN A 128 -6.954 9.475 -1.734 1.00 0.00 C ATOM 37 O ASN A 128 -7.542 8.677 -1.004 1.00 0.00 O ATOM 38 CB ASN A 128 -4.657 10.436 -1.491 1.00 0.00 C ATOM 39 CG ASN A 128 -4.260 11.191 -2.744 1.00 0.00 C ATOM 40 OD1 ASN A 128 -5.105 11.528 -3.574 1.00 0.00 O ATOM 41 ND2 ASN A 128 -2.968 11.461 -2.887 1.00 0.00 N ATOM 0 H ASN A 128 -5.579 10.226 0.839 1.00 0.00 H new ATOM 0 HA ASN A 128 -6.490 11.556 -1.573 1.00 0.00 H new ATOM 0 HB2 ASN A 128 -4.045 10.777 -0.656 1.00 0.00 H new ATOM 0 HB3 ASN A 128 -4.447 9.375 -1.628 1.00 0.00 H new ATOM 0 HD21 ASN A 128 -2.641 11.967 -3.710 1.00 0.00 H new ATOM 0 HD22 ASN A 128 -2.303 11.163 -2.174 1.00 0.00 H new ATOM 48 N ASP A 129 -6.987 9.402 -3.061 1.00 0.00 N ATOM 49 CA ASP A 129 -7.733 8.355 -3.749 1.00 0.00 C ATOM 50 C ASP A 129 -6.831 7.169 -4.074 1.00 0.00 C ATOM 51 O ASP A 129 -5.762 7.333 -4.663 1.00 0.00 O ATOM 52 CB ASP A 129 -8.355 8.905 -5.034 1.00 0.00 C ATOM 53 CG ASP A 129 -9.637 8.186 -5.408 1.00 0.00 C ATOM 54 OD1 ASP A 129 -10.682 8.472 -4.785 1.00 0.00 O ATOM 55 OD2 ASP A 129 -9.596 7.337 -6.323 1.00 0.00 O ATOM 0 H ASP A 129 -6.506 10.055 -3.680 1.00 0.00 H new ATOM 0 HA ASP A 129 -8.528 8.013 -3.086 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -8.561 9.968 -4.909 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -7.638 8.813 -5.850 1.00 0.00 H new ATOM 60 N ALA A 130 -7.268 5.973 -3.684 1.00 0.00 N ATOM 61 CA ALA A 130 -6.508 4.748 -3.926 1.00 0.00 C ATOM 62 C ALA A 130 -5.363 4.605 -2.930 1.00 0.00 C ATOM 63 O ALA A 130 -5.264 3.603 -2.220 1.00 0.00 O ATOM 64 CB ALA A 130 -5.978 4.714 -5.353 1.00 0.00 C ATOM 0 H ALA A 130 -8.151 5.826 -3.195 1.00 0.00 H new ATOM 0 HA ALA A 130 -7.185 3.905 -3.788 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -5.416 3.794 -5.510 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -6.813 4.753 -6.052 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -5.325 5.571 -5.519 1.00 0.00 H new ATOM 70 N LEU A 131 -4.503 5.611 -2.885 1.00 0.00 N ATOM 71 CA LEU A 131 -3.361 5.604 -1.979 1.00 0.00 C ATOM 72 C LEU A 131 -3.575 6.582 -0.828 1.00 0.00 C ATOM 73 O LEU A 131 -4.633 7.200 -0.714 1.00 0.00 O ATOM 74 CB LEU A 131 -2.081 5.961 -2.739 1.00 0.00 C ATOM 75 CG LEU A 131 -1.302 4.768 -3.291 1.00 0.00 C ATOM 76 CD1 LEU A 131 -0.441 5.192 -4.470 1.00 0.00 C ATOM 77 CD2 LEU A 131 -0.445 4.140 -2.202 1.00 0.00 C ATOM 0 H LEU A 131 -4.573 6.446 -3.467 1.00 0.00 H new ATOM 0 HA LEU A 131 -3.261 4.601 -1.564 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -2.340 6.621 -3.567 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -1.428 6.526 -2.074 1.00 0.00 H new ATOM 0 HG LEU A 131 -2.017 4.022 -3.639 1.00 0.00 H new ATOM 0 HD11 LEU A 131 0.106 4.329 -4.850 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -1.077 5.594 -5.259 1.00 0.00 H new ATOM 0 HD13 LEU A 131 0.266 5.957 -4.148 1.00 0.00 H new ATOM 0 HD21 LEU A 131 0.102 3.292 -2.614 1.00 0.00 H new ATOM 0 HD22 LEU A 131 0.261 4.879 -1.824 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -1.084 3.799 -1.388 1.00 0.00 H new ATOM 89 N SER A 132 -2.563 6.717 0.022 1.00 0.00 N ATOM 90 CA SER A 132 -2.640 7.620 1.165 1.00 0.00 C ATOM 91 C SER A 132 -1.370 8.460 1.282 1.00 0.00 C ATOM 92 O SER A 132 -0.335 8.118 0.709 1.00 0.00 O ATOM 93 CB SER A 132 -2.859 6.827 2.454 1.00 0.00 C ATOM 94 OG SER A 132 -4.242 6.650 2.716 1.00 0.00 O ATOM 0 H SER A 132 -1.680 6.213 -0.059 1.00 0.00 H new ATOM 0 HA SER A 132 -3.485 8.290 1.010 1.00 0.00 H new ATOM 0 HB2 SER A 132 -2.374 5.854 2.373 1.00 0.00 H new ATOM 0 HB3 SER A 132 -2.391 7.348 3.289 1.00 0.00 H new ATOM 0 HG SER A 132 -4.355 6.139 3.544 1.00 0.00 H new ATOM 100 N PRO A 133 -1.433 9.576 2.030 1.00 0.00 N ATOM 101 CA PRO A 133 -0.281 10.464 2.218 1.00 0.00 C ATOM 102 C PRO A 133 0.876 9.767 2.926 1.00 0.00 C ATOM 103 O PRO A 133 1.995 9.724 2.414 1.00 0.00 O ATOM 104 CB PRO A 133 -0.833 11.602 3.085 1.00 0.00 C ATOM 105 CG PRO A 133 -2.060 11.046 3.725 1.00 0.00 C ATOM 106 CD PRO A 133 -2.625 10.056 2.747 1.00 0.00 C ATOM 0 HA PRO A 133 0.128 10.802 1.266 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -0.105 11.915 3.834 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -1.067 12.479 2.482 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -1.821 10.565 4.673 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -2.780 11.836 3.940 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -3.146 9.243 3.252 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -3.342 10.522 2.071 1.00 0.00 H new ATOM 114 N ALA A 134 0.599 9.221 4.107 1.00 0.00 N ATOM 115 CA ALA A 134 1.616 8.526 4.883 1.00 0.00 C ATOM 116 C ALA A 134 2.085 7.264 4.167 1.00 0.00 C ATOM 117 O ALA A 134 3.286 7.002 4.060 1.00 0.00 O ATOM 118 CB ALA A 134 1.082 8.184 6.266 1.00 0.00 C ATOM 0 H ALA A 134 -0.322 9.248 4.546 1.00 0.00 H new ATOM 0 HA ALA A 134 2.473 9.190 4.991 1.00 0.00 H new ATOM 0 HB1 ALA A 134 1.853 7.665 6.835 1.00 0.00 H new ATOM 0 HB2 ALA A 134 0.803 9.101 6.785 1.00 0.00 H new ATOM 0 HB3 ALA A 134 0.207 7.541 6.169 1.00 0.00 H new ATOM 124 N ILE A 135 1.131 6.480 3.673 1.00 0.00 N ATOM 125 CA ILE A 135 1.460 5.250 2.969 1.00 0.00 C ATOM 126 C ILE A 135 2.377 5.530 1.790 1.00 0.00 C ATOM 127 O ILE A 135 3.360 4.829 1.589 1.00 0.00 O ATOM 128 CB ILE A 135 0.208 4.512 2.461 1.00 0.00 C ATOM 129 CG1 ILE A 135 -0.731 4.194 3.627 1.00 0.00 C ATOM 130 CG2 ILE A 135 0.612 3.238 1.725 1.00 0.00 C ATOM 131 CD1 ILE A 135 -1.982 3.453 3.210 1.00 0.00 C ATOM 0 H ILE A 135 0.132 6.674 3.747 1.00 0.00 H new ATOM 0 HA ILE A 135 1.967 4.610 3.692 1.00 0.00 H new ATOM 0 HB ILE A 135 -0.324 5.158 1.763 1.00 0.00 H new ATOM 0 HG12 ILE A 135 -0.193 3.597 4.364 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -1.016 5.125 4.118 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -0.281 2.724 1.370 1.00 0.00 H new ATOM 0 HG22 ILE A 135 1.245 3.494 0.875 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.161 2.585 2.403 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -2.600 3.261 4.087 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -2.542 4.057 2.496 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -1.706 2.506 2.746 1.00 0.00 H new ATOM 143 N ARG A 136 2.058 6.560 1.011 1.00 0.00 N ATOM 144 CA ARG A 136 2.879 6.909 -0.143 1.00 0.00 C ATOM 145 C ARG A 136 4.342 6.994 0.267 1.00 0.00 C ATOM 146 O ARG A 136 5.237 6.610 -0.487 1.00 0.00 O ATOM 147 CB ARG A 136 2.419 8.235 -0.754 1.00 0.00 C ATOM 148 CG ARG A 136 1.513 8.066 -1.962 1.00 0.00 C ATOM 149 CD ARG A 136 1.487 9.322 -2.817 1.00 0.00 C ATOM 150 NE ARG A 136 0.386 9.310 -3.777 1.00 0.00 N ATOM 151 CZ ARG A 136 -0.078 10.399 -4.386 1.00 0.00 C ATOM 152 NH1 ARG A 136 0.460 11.586 -4.141 1.00 0.00 N ATOM 153 NH2 ARG A 136 -1.084 10.299 -5.245 1.00 0.00 N ATOM 0 H ARG A 136 1.247 7.161 1.156 1.00 0.00 H new ATOM 0 HA ARG A 136 2.767 6.130 -0.897 1.00 0.00 H new ATOM 0 HB2 ARG A 136 1.893 8.813 0.006 1.00 0.00 H new ATOM 0 HB3 ARG A 136 3.295 8.814 -1.045 1.00 0.00 H new ATOM 0 HG2 ARG A 136 1.857 7.223 -2.562 1.00 0.00 H new ATOM 0 HG3 ARG A 136 0.502 7.829 -1.630 1.00 0.00 H new ATOM 0 HD2 ARG A 136 1.396 10.197 -2.173 1.00 0.00 H new ATOM 0 HD3 ARG A 136 2.432 9.416 -3.351 1.00 0.00 H new ATOM 0 HE ARG A 136 -0.053 8.415 -3.993 1.00 0.00 H new ATOM 0 HH11 ARG A 136 1.234 11.669 -3.482 1.00 0.00 H new ATOM 0 HH12 ARG A 136 0.099 12.416 -4.611 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -1.501 9.388 -5.438 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -1.440 11.133 -5.712 1.00 0.00 H new ATOM 167 N ARG A 137 4.572 7.466 1.486 1.00 0.00 N ATOM 168 CA ARG A 137 5.919 7.563 2.016 1.00 0.00 C ATOM 169 C ARG A 137 6.438 6.165 2.311 1.00 0.00 C ATOM 170 O ARG A 137 7.593 5.842 2.034 1.00 0.00 O ATOM 171 CB ARG A 137 5.933 8.407 3.291 1.00 0.00 C ATOM 172 CG ARG A 137 7.303 8.969 3.634 1.00 0.00 C ATOM 173 CD ARG A 137 7.385 10.459 3.341 1.00 0.00 C ATOM 174 NE ARG A 137 7.264 11.264 4.554 1.00 0.00 N ATOM 175 CZ ARG A 137 8.263 11.471 5.409 1.00 0.00 C ATOM 176 NH1 ARG A 137 9.457 10.935 5.189 1.00 0.00 N ATOM 177 NH2 ARG A 137 8.067 12.217 6.489 1.00 0.00 N ATOM 0 H ARG A 137 3.842 7.786 2.122 1.00 0.00 H new ATOM 0 HA ARG A 137 6.561 8.046 1.280 1.00 0.00 H new ATOM 0 HB2 ARG A 137 5.229 9.232 3.179 1.00 0.00 H new ATOM 0 HB3 ARG A 137 5.580 7.798 4.124 1.00 0.00 H new ATOM 0 HG2 ARG A 137 7.516 8.792 4.688 1.00 0.00 H new ATOM 0 HG3 ARG A 137 8.067 8.442 3.062 1.00 0.00 H new ATOM 0 HD2 ARG A 137 8.334 10.680 2.852 1.00 0.00 H new ATOM 0 HD3 ARG A 137 6.595 10.735 2.643 1.00 0.00 H new ATOM 0 HE ARG A 137 6.361 11.693 4.758 1.00 0.00 H new ATOM 0 HH11 ARG A 137 9.613 10.361 4.361 1.00 0.00 H new ATOM 0 HH12 ARG A 137 10.218 11.098 5.848 1.00 0.00 H new ATOM 0 HH21 ARG A 137 7.151 12.631 6.663 1.00 0.00 H new ATOM 0 HH22 ARG A 137 8.832 12.376 7.145 1.00 0.00 H new ATOM 191 N LEU A 138 5.558 5.335 2.866 1.00 0.00 N ATOM 192 CA LEU A 138 5.907 3.958 3.193 1.00 0.00 C ATOM 193 C LEU A 138 6.269 3.173 1.934 1.00 0.00 C ATOM 194 O LEU A 138 7.338 2.567 1.858 1.00 0.00 O ATOM 195 CB LEU A 138 4.745 3.272 3.914 1.00 0.00 C ATOM 196 CG LEU A 138 5.007 1.819 4.312 1.00 0.00 C ATOM 197 CD1 LEU A 138 6.072 1.748 5.395 1.00 0.00 C ATOM 198 CD2 LEU A 138 3.724 1.152 4.781 1.00 0.00 C ATOM 0 H LEU A 138 4.599 5.593 3.098 1.00 0.00 H new ATOM 0 HA LEU A 138 6.776 3.978 3.851 1.00 0.00 H new ATOM 0 HB2 LEU A 138 4.505 3.842 4.811 1.00 0.00 H new ATOM 0 HB3 LEU A 138 3.866 3.305 3.270 1.00 0.00 H new ATOM 0 HG LEU A 138 5.370 1.283 3.435 1.00 0.00 H new ATOM 0 HD11 LEU A 138 6.246 0.707 5.666 1.00 0.00 H new ATOM 0 HD12 LEU A 138 6.998 2.186 5.024 1.00 0.00 H new ATOM 0 HD13 LEU A 138 5.736 2.300 6.273 1.00 0.00 H new ATOM 0 HD21 LEU A 138 3.932 0.119 5.060 1.00 0.00 H new ATOM 0 HD22 LEU A 138 3.330 1.688 5.644 1.00 0.00 H new ATOM 0 HD23 LEU A 138 2.989 1.170 3.976 1.00 0.00 H new ATOM 210 N LEU A 139 5.380 3.195 0.942 1.00 0.00 N ATOM 211 CA LEU A 139 5.619 2.489 -0.311 1.00 0.00 C ATOM 212 C LEU A 139 6.876 3.024 -0.974 1.00 0.00 C ATOM 213 O LEU A 139 7.651 2.275 -1.570 1.00 0.00 O ATOM 214 CB LEU A 139 4.422 2.644 -1.250 1.00 0.00 C ATOM 215 CG LEU A 139 3.238 1.724 -0.948 1.00 0.00 C ATOM 216 CD1 LEU A 139 1.990 2.205 -1.670 1.00 0.00 C ATOM 217 CD2 LEU A 139 3.565 0.292 -1.342 1.00 0.00 C ATOM 0 H LEU A 139 4.491 3.693 0.983 1.00 0.00 H new ATOM 0 HA LEU A 139 5.753 1.429 -0.095 1.00 0.00 H new ATOM 0 HB2 LEU A 139 4.079 3.678 -1.209 1.00 0.00 H new ATOM 0 HB3 LEU A 139 4.755 2.459 -2.271 1.00 0.00 H new ATOM 0 HG LEU A 139 3.045 1.751 0.124 1.00 0.00 H new ATOM 0 HD11 LEU A 139 1.158 1.538 -1.443 1.00 0.00 H new ATOM 0 HD12 LEU A 139 1.746 3.215 -1.341 1.00 0.00 H new ATOM 0 HD13 LEU A 139 2.170 2.208 -2.745 1.00 0.00 H new ATOM 0 HD21 LEU A 139 2.712 -0.350 -1.121 1.00 0.00 H new ATOM 0 HD22 LEU A 139 3.784 0.249 -2.409 1.00 0.00 H new ATOM 0 HD23 LEU A 139 4.433 -0.051 -0.779 1.00 0.00 H new ATOM 229 N ALA A 140 7.075 4.330 -0.852 1.00 0.00 N ATOM 230 CA ALA A 140 8.246 4.979 -1.424 1.00 0.00 C ATOM 231 C ALA A 140 9.515 4.491 -0.735 1.00 0.00 C ATOM 232 O ALA A 140 10.574 4.390 -1.355 1.00 0.00 O ATOM 233 CB ALA A 140 8.125 6.491 -1.308 1.00 0.00 C ATOM 0 H ALA A 140 6.440 4.960 -0.362 1.00 0.00 H new ATOM 0 HA ALA A 140 8.305 4.718 -2.481 1.00 0.00 H new ATOM 0 HB1 ALA A 140 9.008 6.961 -1.740 1.00 0.00 H new ATOM 0 HB2 ALA A 140 7.237 6.827 -1.843 1.00 0.00 H new ATOM 0 HB3 ALA A 140 8.043 6.770 -0.257 1.00 0.00 H new ATOM 239 N GLU A 141 9.396 4.183 0.554 1.00 0.00 N ATOM 240 CA GLU A 141 10.523 3.698 1.334 1.00 0.00 C ATOM 241 C GLU A 141 10.819 2.240 1.008 1.00 0.00 C ATOM 242 O GLU A 141 11.965 1.867 0.753 1.00 0.00 O ATOM 243 CB GLU A 141 10.237 3.849 2.830 1.00 0.00 C ATOM 244 CG GLU A 141 10.043 5.291 3.270 1.00 0.00 C ATOM 245 CD GLU A 141 11.050 5.724 4.316 1.00 0.00 C ATOM 246 OE1 GLU A 141 12.214 5.278 4.242 1.00 0.00 O ATOM 247 OE2 GLU A 141 10.675 6.512 5.211 1.00 0.00 O ATOM 0 H GLU A 141 8.525 4.262 1.079 1.00 0.00 H new ATOM 0 HA GLU A 141 11.397 4.296 1.076 1.00 0.00 H new ATOM 0 HB2 GLU A 141 9.343 3.278 3.080 1.00 0.00 H new ATOM 0 HB3 GLU A 141 11.061 3.413 3.395 1.00 0.00 H new ATOM 0 HG2 GLU A 141 10.123 5.945 2.402 1.00 0.00 H new ATOM 0 HG3 GLU A 141 9.036 5.412 3.669 1.00 0.00 H new ATOM 254 N HIS A 142 9.774 1.422 1.015 1.00 0.00 N ATOM 255 CA HIS A 142 9.910 0.001 0.717 1.00 0.00 C ATOM 256 C HIS A 142 10.296 -0.217 -0.745 1.00 0.00 C ATOM 257 O HIS A 142 10.777 -1.287 -1.116 1.00 0.00 O ATOM 258 CB HIS A 142 8.603 -0.734 1.024 1.00 0.00 C ATOM 259 CG HIS A 142 8.336 -0.904 2.488 1.00 0.00 C ATOM 260 ND1 HIS A 142 8.721 -2.021 3.200 1.00 0.00 N ATOM 261 CD2 HIS A 142 7.713 -0.093 3.376 1.00 0.00 C ATOM 262 CE1 HIS A 142 8.344 -1.889 4.460 1.00 0.00 C ATOM 263 NE2 HIS A 142 7.731 -0.728 4.592 1.00 0.00 N ATOM 0 H HIS A 142 8.821 1.719 1.224 1.00 0.00 H new ATOM 0 HA HIS A 142 10.703 -0.401 1.348 1.00 0.00 H new ATOM 0 HB2 HIS A 142 7.775 -0.187 0.574 1.00 0.00 H new ATOM 0 HB3 HIS A 142 8.630 -1.716 0.552 1.00 0.00 H new ATOM 0 HD1 HIS A 142 9.219 -2.823 2.814 1.00 0.00 H new ATOM 0 HD2 HIS A 142 7.282 0.875 3.166 1.00 0.00 H new ATOM 0 HE1 HIS A 142 8.510 -2.609 5.248 1.00 0.00 H new ATOM 272 N ASN A 143 10.079 0.805 -1.572 1.00 0.00 N ATOM 273 CA ASN A 143 10.401 0.723 -2.994 1.00 0.00 C ATOM 274 C ASN A 143 9.464 -0.247 -3.706 1.00 0.00 C ATOM 275 O ASN A 143 9.908 -1.144 -4.422 1.00 0.00 O ATOM 276 CB ASN A 143 11.856 0.288 -3.189 1.00 0.00 C ATOM 277 CG ASN A 143 12.521 1.002 -4.351 1.00 0.00 C ATOM 278 OD1 ASN A 143 13.514 1.706 -4.174 1.00 0.00 O ATOM 279 ND2 ASN A 143 11.973 0.821 -5.547 1.00 0.00 N ATOM 0 H ASN A 143 9.682 1.698 -1.281 1.00 0.00 H new ATOM 0 HA ASN A 143 10.269 1.714 -3.429 1.00 0.00 H new ATOM 0 HB2 ASN A 143 12.417 0.485 -2.276 1.00 0.00 H new ATOM 0 HB3 ASN A 143 11.891 -0.788 -3.359 1.00 0.00 H new ATOM 0 HD21 ASN A 143 12.376 1.275 -6.367 1.00 0.00 H new ATOM 0 HD22 ASN A 143 11.149 0.228 -5.646 1.00 0.00 H new ATOM 286 N LEU A 144 8.164 -0.058 -3.505 1.00 0.00 N ATOM 287 CA LEU A 144 7.162 -0.916 -4.128 1.00 0.00 C ATOM 288 C LEU A 144 6.246 -0.112 -5.042 1.00 0.00 C ATOM 289 O LEU A 144 6.385 1.105 -5.168 1.00 0.00 O ATOM 290 CB LEU A 144 6.328 -1.630 -3.062 1.00 0.00 C ATOM 291 CG LEU A 144 7.102 -2.066 -1.820 1.00 0.00 C ATOM 292 CD1 LEU A 144 6.152 -2.588 -0.754 1.00 0.00 C ATOM 293 CD2 LEU A 144 8.136 -3.122 -2.180 1.00 0.00 C ATOM 0 H LEU A 144 7.780 0.681 -2.916 1.00 0.00 H new ATOM 0 HA LEU A 144 7.688 -1.659 -4.727 1.00 0.00 H new ATOM 0 HB2 LEU A 144 5.518 -0.969 -2.753 1.00 0.00 H new ATOM 0 HB3 LEU A 144 5.868 -2.510 -3.512 1.00 0.00 H new ATOM 0 HG LEU A 144 7.624 -1.198 -1.417 1.00 0.00 H new ATOM 0 HD11 LEU A 144 6.722 -2.894 0.123 1.00 0.00 H new ATOM 0 HD12 LEU A 144 5.451 -1.802 -0.475 1.00 0.00 H new ATOM 0 HD13 LEU A 144 5.601 -3.443 -1.145 1.00 0.00 H new ATOM 0 HD21 LEU A 144 8.678 -3.421 -1.283 1.00 0.00 H new ATOM 0 HD22 LEU A 144 7.635 -3.991 -2.608 1.00 0.00 H new ATOM 0 HD23 LEU A 144 8.837 -2.712 -2.908 1.00 0.00 H new ATOM 305 N ASP A 145 5.307 -0.803 -5.675 1.00 0.00 N ATOM 306 CA ASP A 145 4.359 -0.163 -6.579 1.00 0.00 C ATOM 307 C ASP A 145 2.925 -0.475 -6.169 1.00 0.00 C ATOM 308 O ASP A 145 2.513 -1.634 -6.151 1.00 0.00 O ATOM 309 CB ASP A 145 4.603 -0.623 -8.017 1.00 0.00 C ATOM 310 CG ASP A 145 4.290 0.460 -9.032 1.00 0.00 C ATOM 311 OD1 ASP A 145 3.127 0.531 -9.484 1.00 0.00 O ATOM 312 OD2 ASP A 145 5.206 1.237 -9.373 1.00 0.00 O ATOM 0 H ASP A 145 5.181 -1.811 -5.579 1.00 0.00 H new ATOM 0 HA ASP A 145 4.509 0.915 -6.521 1.00 0.00 H new ATOM 0 HB2 ASP A 145 5.643 -0.929 -8.126 1.00 0.00 H new ATOM 0 HB3 ASP A 145 3.989 -1.500 -8.224 1.00 0.00 H new ATOM 317 N ALA A 146 2.166 0.568 -5.841 1.00 0.00 N ATOM 318 CA ALA A 146 0.776 0.406 -5.429 1.00 0.00 C ATOM 319 C ALA A 146 -0.005 -0.431 -6.438 1.00 0.00 C ATOM 320 O ALA A 146 -0.757 -1.332 -6.064 1.00 0.00 O ATOM 321 CB ALA A 146 0.118 1.765 -5.248 1.00 0.00 C ATOM 0 H ALA A 146 2.491 1.535 -5.853 1.00 0.00 H new ATOM 0 HA ALA A 146 0.766 -0.122 -4.475 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -0.919 1.629 -4.941 1.00 0.00 H new ATOM 0 HB2 ALA A 146 0.652 2.329 -4.483 1.00 0.00 H new ATOM 0 HB3 ALA A 146 0.148 2.312 -6.190 1.00 0.00 H new ATOM 327 N SER A 147 0.179 -0.128 -7.719 1.00 0.00 N ATOM 328 CA SER A 147 -0.506 -0.852 -8.785 1.00 0.00 C ATOM 329 C SER A 147 -0.200 -2.347 -8.720 1.00 0.00 C ATOM 330 O SER A 147 -0.958 -3.167 -9.238 1.00 0.00 O ATOM 331 CB SER A 147 -0.099 -0.296 -10.149 1.00 0.00 C ATOM 332 OG SER A 147 -0.832 -0.915 -11.192 1.00 0.00 O ATOM 0 H SER A 147 0.797 0.615 -8.045 1.00 0.00 H new ATOM 0 HA SER A 147 -1.579 -0.716 -8.648 1.00 0.00 H new ATOM 0 HB2 SER A 147 -0.268 0.781 -10.171 1.00 0.00 H new ATOM 0 HB3 SER A 147 0.968 -0.455 -10.306 1.00 0.00 H new ATOM 0 HG SER A 147 -0.554 -0.541 -12.054 1.00 0.00 H new ATOM 338 N ALA A 148 0.914 -2.697 -8.083 1.00 0.00 N ATOM 339 CA ALA A 148 1.314 -4.093 -7.956 1.00 0.00 C ATOM 340 C ALA A 148 0.710 -4.728 -6.706 1.00 0.00 C ATOM 341 O ALA A 148 0.524 -5.942 -6.645 1.00 0.00 O ATOM 342 CB ALA A 148 2.831 -4.205 -7.925 1.00 0.00 C ATOM 0 H ALA A 148 1.554 -2.033 -7.648 1.00 0.00 H new ATOM 0 HA ALA A 148 0.937 -4.633 -8.824 1.00 0.00 H new ATOM 0 HB1 ALA A 148 3.117 -5.253 -7.830 1.00 0.00 H new ATOM 0 HB2 ALA A 148 3.245 -3.798 -8.848 1.00 0.00 H new ATOM 0 HB3 ALA A 148 3.220 -3.644 -7.075 1.00 0.00 H new ATOM 348 N ILE A 149 0.407 -3.898 -5.713 1.00 0.00 N ATOM 349 CA ILE A 149 -0.175 -4.380 -4.465 1.00 0.00 C ATOM 350 C ILE A 149 -1.692 -4.220 -4.473 1.00 0.00 C ATOM 351 O ILE A 149 -2.243 -3.491 -5.297 1.00 0.00 O ATOM 352 CB ILE A 149 0.406 -3.634 -3.247 1.00 0.00 C ATOM 353 CG1 ILE A 149 1.909 -3.407 -3.426 1.00 0.00 C ATOM 354 CG2 ILE A 149 0.133 -4.412 -1.968 1.00 0.00 C ATOM 355 CD1 ILE A 149 2.547 -2.644 -2.285 1.00 0.00 C ATOM 0 H ILE A 149 0.555 -2.889 -5.748 1.00 0.00 H new ATOM 0 HA ILE A 149 0.077 -5.437 -4.384 1.00 0.00 H new ATOM 0 HB ILE A 149 -0.082 -2.663 -3.171 1.00 0.00 H new ATOM 0 HG12 ILE A 149 2.404 -4.373 -3.528 1.00 0.00 H new ATOM 0 HG13 ILE A 149 2.078 -2.863 -4.355 1.00 0.00 H new ATOM 0 HG21 ILE A 149 0.550 -3.872 -1.118 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -0.943 -4.526 -1.834 1.00 0.00 H new ATOM 0 HG23 ILE A 149 0.596 -5.396 -2.035 1.00 0.00 H new ATOM 0 HD11 ILE A 149 3.612 -2.521 -2.480 1.00 0.00 H new ATOM 0 HD12 ILE A 149 2.079 -1.664 -2.196 1.00 0.00 H new ATOM 0 HD13 ILE A 149 2.410 -3.197 -1.356 1.00 0.00 H new ATOM 367 N LYS A 150 -2.362 -4.909 -3.555 1.00 0.00 N ATOM 368 CA LYS A 150 -3.816 -4.843 -3.460 1.00 0.00 C ATOM 369 C LYS A 150 -4.247 -3.895 -2.344 1.00 0.00 C ATOM 370 O LYS A 150 -3.508 -3.674 -1.385 1.00 0.00 O ATOM 371 CB LYS A 150 -4.395 -6.240 -3.217 1.00 0.00 C ATOM 372 CG LYS A 150 -5.245 -6.753 -4.370 1.00 0.00 C ATOM 373 CD LYS A 150 -4.479 -7.749 -5.227 1.00 0.00 C ATOM 374 CE LYS A 150 -5.371 -8.892 -5.684 1.00 0.00 C ATOM 375 NZ LYS A 150 -6.300 -8.471 -6.770 1.00 0.00 N ATOM 0 H LYS A 150 -1.922 -5.519 -2.867 1.00 0.00 H new ATOM 0 HA LYS A 150 -4.201 -4.458 -4.404 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -3.577 -6.938 -3.040 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -5.000 -6.222 -2.310 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -6.145 -7.226 -3.977 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -5.568 -5.914 -4.986 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -4.065 -7.239 -6.097 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -3.637 -8.147 -4.660 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -4.752 -9.718 -6.035 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -5.947 -9.264 -4.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -6.891 -9.278 -7.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -6.908 -7.700 -6.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -5.750 -8.140 -7.588 1.00 0.00 H new ATOM 389 N GLY A 151 -5.446 -3.341 -2.478 1.00 0.00 N ATOM 390 CA GLY A 151 -5.955 -2.424 -1.474 1.00 0.00 C ATOM 391 C GLY A 151 -7.262 -2.895 -0.867 1.00 0.00 C ATOM 392 O GLY A 151 -8.285 -2.952 -1.549 1.00 0.00 O ATOM 0 H GLY A 151 -6.075 -3.510 -3.263 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -5.213 -2.306 -0.684 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -6.100 -1.442 -1.924 1.00 0.00 H new ATOM 396 N THR A 152 -7.228 -3.232 0.418 1.00 0.00 N ATOM 397 CA THR A 152 -8.419 -3.700 1.117 1.00 0.00 C ATOM 398 C THR A 152 -9.035 -2.582 1.953 1.00 0.00 C ATOM 399 O THR A 152 -9.663 -2.834 2.981 1.00 0.00 O ATOM 400 CB THR A 152 -8.076 -4.893 2.011 1.00 0.00 C ATOM 401 OG1 THR A 152 -6.721 -4.839 2.420 1.00 0.00 O ATOM 402 CG2 THR A 152 -8.300 -6.230 1.337 1.00 0.00 C ATOM 0 H THR A 152 -6.389 -3.190 0.996 1.00 0.00 H new ATOM 0 HA THR A 152 -9.148 -4.013 0.370 1.00 0.00 H new ATOM 0 HB THR A 152 -8.750 -4.818 2.865 1.00 0.00 H new ATOM 0 HG1 THR A 152 -6.144 -5.120 1.679 1.00 0.00 H new ATOM 0 HG21 THR A 152 -8.038 -7.033 2.026 1.00 0.00 H new ATOM 0 HG22 THR A 152 -9.348 -6.323 1.053 1.00 0.00 H new ATOM 0 HG23 THR A 152 -7.676 -6.297 0.446 1.00 0.00 H new ATOM 410 N GLY A 153 -8.849 -1.343 1.504 1.00 0.00 N ATOM 411 CA GLY A 153 -9.392 -0.205 2.221 1.00 0.00 C ATOM 412 C GLY A 153 -10.876 -0.018 1.975 1.00 0.00 C ATOM 413 O GLY A 153 -11.538 -0.905 1.436 1.00 0.00 O ATOM 0 H GLY A 153 -8.332 -1.109 0.657 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.218 -0.336 3.289 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.860 0.698 1.919 1.00 0.00 H new ATOM 417 N VAL A 154 -11.399 1.138 2.370 1.00 0.00 N ATOM 418 CA VAL A 154 -12.815 1.436 2.188 1.00 0.00 C ATOM 419 C VAL A 154 -13.170 1.524 0.707 1.00 0.00 C ATOM 420 O VAL A 154 -13.272 2.615 0.147 1.00 0.00 O ATOM 421 CB VAL A 154 -13.204 2.757 2.878 1.00 0.00 C ATOM 422 CG1 VAL A 154 -14.712 2.950 2.851 1.00 0.00 C ATOM 423 CG2 VAL A 154 -12.681 2.787 4.306 1.00 0.00 C ATOM 0 H VAL A 154 -10.865 1.883 2.817 1.00 0.00 H new ATOM 0 HA VAL A 154 -13.373 0.619 2.645 1.00 0.00 H new ATOM 0 HB VAL A 154 -12.746 3.580 2.330 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -14.968 3.888 3.343 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -15.057 2.977 1.817 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -15.194 2.124 3.373 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -12.965 3.728 4.778 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -13.108 1.956 4.867 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -11.595 2.699 4.298 1.00 0.00 H new ATOM 433 N GLY A 155 -13.355 0.368 0.080 1.00 0.00 N ATOM 434 CA GLY A 155 -13.696 0.334 -1.330 1.00 0.00 C ATOM 435 C GLY A 155 -12.569 -0.211 -2.185 1.00 0.00 C ATOM 436 O GLY A 155 -12.810 -0.784 -3.248 1.00 0.00 O ATOM 0 H GLY A 155 -13.275 -0.547 0.523 1.00 0.00 H new ATOM 0 HA2 GLY A 155 -14.585 -0.281 -1.471 1.00 0.00 H new ATOM 0 HA3 GLY A 155 -13.948 1.340 -1.664 1.00 0.00 H new ATOM 440 N GLY A 156 -11.337 -0.035 -1.720 1.00 0.00 N ATOM 441 CA GLY A 156 -10.188 -0.521 -2.461 1.00 0.00 C ATOM 442 C GLY A 156 -9.007 0.427 -2.389 1.00 0.00 C ATOM 443 O GLY A 156 -8.510 0.888 -3.416 1.00 0.00 O ATOM 0 H GLY A 156 -11.114 0.436 -0.843 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.893 -1.494 -2.070 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -10.468 -0.668 -3.504 1.00 0.00 H new ATOM 447 N ARG A 157 -8.557 0.719 -1.173 1.00 0.00 N ATOM 448 CA ARG A 157 -7.428 1.619 -0.971 1.00 0.00 C ATOM 449 C ARG A 157 -6.270 0.894 -0.285 1.00 0.00 C ATOM 450 O ARG A 157 -6.480 0.081 0.615 1.00 0.00 O ATOM 451 CB ARG A 157 -7.872 2.844 -0.153 1.00 0.00 C ATOM 452 CG ARG A 157 -7.225 2.959 1.222 1.00 0.00 C ATOM 453 CD ARG A 157 -7.764 4.153 1.993 1.00 0.00 C ATOM 454 NE ARG A 157 -7.507 4.041 3.426 1.00 0.00 N ATOM 455 CZ ARG A 157 -8.095 4.801 4.347 1.00 0.00 C ATOM 456 NH1 ARG A 157 -8.972 5.730 3.990 1.00 0.00 N ATOM 457 NH2 ARG A 157 -7.803 4.633 5.630 1.00 0.00 N ATOM 0 H ARG A 157 -8.957 0.345 -0.313 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.075 1.960 -1.944 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -7.646 3.746 -0.722 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -8.954 2.808 -0.029 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -7.408 2.046 1.789 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -6.145 3.054 1.110 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -7.306 5.066 1.613 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -8.837 4.240 1.823 1.00 0.00 H new ATOM 0 HE ARG A 157 -6.837 3.339 3.740 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -9.199 5.865 3.005 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -9.419 6.309 4.701 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -7.128 3.922 5.911 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -8.253 5.215 6.336 1.00 0.00 H new ATOM 471 N LEU A 158 -5.050 1.200 -0.715 1.00 0.00 N ATOM 472 CA LEU A 158 -3.859 0.582 -0.142 1.00 0.00 C ATOM 473 C LEU A 158 -3.746 0.902 1.345 1.00 0.00 C ATOM 474 O LEU A 158 -3.834 2.062 1.748 1.00 0.00 O ATOM 475 CB LEU A 158 -2.607 1.067 -0.880 1.00 0.00 C ATOM 476 CG LEU A 158 -1.513 0.012 -1.082 1.00 0.00 C ATOM 477 CD1 LEU A 158 -0.837 -0.322 0.238 1.00 0.00 C ATOM 478 CD2 LEU A 158 -2.088 -1.244 -1.723 1.00 0.00 C ATOM 0 H LEU A 158 -4.860 1.872 -1.458 1.00 0.00 H new ATOM 0 HA LEU A 158 -3.944 -0.499 -0.256 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -2.906 1.447 -1.857 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -2.182 1.905 -0.328 1.00 0.00 H new ATOM 0 HG LEU A 158 -0.762 0.426 -1.755 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -0.064 -1.072 0.071 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -0.385 0.579 0.653 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -1.577 -0.712 0.937 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -1.295 -1.980 -1.857 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -2.863 -1.659 -1.079 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -2.518 -0.993 -2.693 1.00 0.00 H new ATOM 490 N THR A 159 -3.549 -0.132 2.155 1.00 0.00 N ATOM 491 CA THR A 159 -3.423 0.041 3.597 1.00 0.00 C ATOM 492 C THR A 159 -2.154 -0.630 4.117 1.00 0.00 C ATOM 493 O THR A 159 -1.542 -1.446 3.424 1.00 0.00 O ATOM 494 CB THR A 159 -4.648 -0.532 4.313 1.00 0.00 C ATOM 495 OG1 THR A 159 -5.261 -1.538 3.527 1.00 0.00 O ATOM 496 CG2 THR A 159 -5.700 0.510 4.625 1.00 0.00 C ATOM 0 H THR A 159 -3.473 -1.098 1.838 1.00 0.00 H new ATOM 0 HA THR A 159 -3.359 1.109 3.804 1.00 0.00 H new ATOM 0 HB THR A 159 -4.271 -0.938 5.252 1.00 0.00 H new ATOM 0 HG1 THR A 159 -4.571 -2.062 3.070 1.00 0.00 H new ATOM 0 HG21 THR A 159 -6.541 0.037 5.132 1.00 0.00 H new ATOM 0 HG22 THR A 159 -5.272 1.277 5.270 1.00 0.00 H new ATOM 0 HG23 THR A 159 -6.046 0.967 3.698 1.00 0.00 H new ATOM 504 N ARG A 160 -1.767 -0.284 5.341 1.00 0.00 N ATOM 505 CA ARG A 160 -0.571 -0.853 5.953 1.00 0.00 C ATOM 506 C ARG A 160 -0.648 -2.374 5.961 1.00 0.00 C ATOM 507 O ARG A 160 0.365 -3.060 5.819 1.00 0.00 O ATOM 508 CB ARG A 160 -0.406 -0.331 7.381 1.00 0.00 C ATOM 509 CG ARG A 160 1.043 -0.223 7.824 1.00 0.00 C ATOM 510 CD ARG A 160 1.707 1.020 7.254 1.00 0.00 C ATOM 511 NE ARG A 160 1.593 2.164 8.155 1.00 0.00 N ATOM 512 CZ ARG A 160 2.399 2.375 9.193 1.00 0.00 C ATOM 513 NH1 ARG A 160 3.378 1.523 9.469 1.00 0.00 N ATOM 514 NH2 ARG A 160 2.225 3.444 9.959 1.00 0.00 N ATOM 0 H ARG A 160 -2.263 0.387 5.928 1.00 0.00 H new ATOM 0 HA ARG A 160 0.294 -0.550 5.363 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -0.875 0.650 7.457 1.00 0.00 H new ATOM 0 HB3 ARG A 160 -0.938 -0.992 8.065 1.00 0.00 H new ATOM 0 HG2 ARG A 160 1.091 -0.196 8.913 1.00 0.00 H new ATOM 0 HG3 ARG A 160 1.590 -1.109 7.503 1.00 0.00 H new ATOM 0 HD2 ARG A 160 2.760 0.813 7.063 1.00 0.00 H new ATOM 0 HD3 ARG A 160 1.251 1.267 6.295 1.00 0.00 H new ATOM 0 HE ARG A 160 0.851 2.842 7.978 1.00 0.00 H new ATOM 0 HH11 ARG A 160 3.517 0.699 8.884 1.00 0.00 H new ATOM 0 HH12 ARG A 160 3.991 1.692 10.266 1.00 0.00 H new ATOM 0 HH21 ARG A 160 1.474 4.103 9.752 1.00 0.00 H new ATOM 0 HH22 ARG A 160 2.842 3.607 10.755 1.00 0.00 H new ATOM 528 N GLU A 161 -1.859 -2.894 6.110 1.00 0.00 N ATOM 529 CA GLU A 161 -2.076 -4.332 6.118 1.00 0.00 C ATOM 530 C GLU A 161 -1.753 -4.919 4.749 1.00 0.00 C ATOM 531 O GLU A 161 -1.209 -6.019 4.645 1.00 0.00 O ATOM 532 CB GLU A 161 -3.522 -4.653 6.499 1.00 0.00 C ATOM 533 CG GLU A 161 -3.964 -4.011 7.803 1.00 0.00 C ATOM 534 CD GLU A 161 -3.317 -4.650 9.016 1.00 0.00 C ATOM 535 OE1 GLU A 161 -2.081 -4.827 9.005 1.00 0.00 O ATOM 536 OE2 GLU A 161 -4.047 -4.973 9.977 1.00 0.00 O ATOM 0 H GLU A 161 -2.707 -2.339 6.227 1.00 0.00 H new ATOM 0 HA GLU A 161 -1.414 -4.778 6.860 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -4.182 -4.321 5.698 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -3.637 -5.734 6.579 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -3.719 -2.949 7.782 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -5.048 -4.086 7.892 1.00 0.00 H new ATOM 543 N ASP A 162 -2.087 -4.171 3.701 1.00 0.00 N ATOM 544 CA ASP A 162 -1.830 -4.613 2.336 1.00 0.00 C ATOM 545 C ASP A 162 -0.332 -4.696 2.073 1.00 0.00 C ATOM 546 O ASP A 162 0.170 -5.714 1.597 1.00 0.00 O ATOM 547 CB ASP A 162 -2.483 -3.656 1.337 1.00 0.00 C ATOM 548 CG ASP A 162 -3.993 -3.778 1.321 1.00 0.00 C ATOM 549 OD1 ASP A 162 -4.496 -4.914 1.190 1.00 0.00 O ATOM 550 OD2 ASP A 162 -4.674 -2.738 1.440 1.00 0.00 O ATOM 0 H ASP A 162 -2.535 -3.258 3.772 1.00 0.00 H new ATOM 0 HA ASP A 162 -2.262 -5.606 2.210 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -2.207 -2.631 1.586 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -2.095 -3.857 0.339 1.00 0.00 H new ATOM 555 N VAL A 163 0.377 -3.618 2.388 1.00 0.00 N ATOM 556 CA VAL A 163 1.820 -3.572 2.188 1.00 0.00 C ATOM 557 C VAL A 163 2.522 -4.620 3.046 1.00 0.00 C ATOM 558 O VAL A 163 3.572 -5.140 2.670 1.00 0.00 O ATOM 559 CB VAL A 163 2.391 -2.179 2.520 1.00 0.00 C ATOM 560 CG1 VAL A 163 3.885 -2.127 2.231 1.00 0.00 C ATOM 561 CG2 VAL A 163 1.654 -1.102 1.738 1.00 0.00 C ATOM 0 H VAL A 163 -0.023 -2.766 2.782 1.00 0.00 H new ATOM 0 HA VAL A 163 2.004 -3.785 1.135 1.00 0.00 H new ATOM 0 HB VAL A 163 2.245 -1.992 3.584 1.00 0.00 H new ATOM 0 HG11 VAL A 163 4.268 -1.135 2.472 1.00 0.00 H new ATOM 0 HG12 VAL A 163 4.399 -2.872 2.838 1.00 0.00 H new ATOM 0 HG13 VAL A 163 4.059 -2.336 1.176 1.00 0.00 H new ATOM 0 HG21 VAL A 163 2.070 -0.125 1.984 1.00 0.00 H new ATOM 0 HG22 VAL A 163 1.768 -1.286 0.670 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.596 -1.122 1.999 1.00 0.00 H new ATOM 571 N GLU A 164 1.936 -4.926 4.201 1.00 0.00 N ATOM 572 CA GLU A 164 2.509 -5.914 5.107 1.00 0.00 C ATOM 573 C GLU A 164 2.448 -7.310 4.497 1.00 0.00 C ATOM 574 O GLU A 164 3.442 -8.036 4.483 1.00 0.00 O ATOM 575 CB GLU A 164 1.773 -5.896 6.449 1.00 0.00 C ATOM 576 CG GLU A 164 2.397 -4.958 7.472 1.00 0.00 C ATOM 577 CD GLU A 164 2.618 -5.625 8.816 1.00 0.00 C ATOM 578 OE1 GLU A 164 2.834 -6.855 8.841 1.00 0.00 O ATOM 579 OE2 GLU A 164 2.577 -4.916 9.843 1.00 0.00 O ATOM 0 H GLU A 164 1.067 -4.505 4.530 1.00 0.00 H new ATOM 0 HA GLU A 164 3.555 -5.655 5.273 1.00 0.00 H new ATOM 0 HB2 GLU A 164 0.737 -5.601 6.282 1.00 0.00 H new ATOM 0 HB3 GLU A 164 1.755 -6.906 6.858 1.00 0.00 H new ATOM 0 HG2 GLU A 164 3.351 -4.593 7.091 1.00 0.00 H new ATOM 0 HG3 GLU A 164 1.752 -4.089 7.603 1.00 0.00 H new ATOM 586 N LYS A 165 1.277 -7.679 3.987 1.00 0.00 N ATOM 587 CA LYS A 165 1.096 -8.987 3.368 1.00 0.00 C ATOM 588 C LYS A 165 1.959 -9.113 2.118 1.00 0.00 C ATOM 589 O LYS A 165 2.480 -10.186 1.815 1.00 0.00 O ATOM 590 CB LYS A 165 -0.377 -9.212 3.012 1.00 0.00 C ATOM 591 CG LYS A 165 -1.304 -9.227 4.217 1.00 0.00 C ATOM 592 CD LYS A 165 -0.785 -10.144 5.313 1.00 0.00 C ATOM 593 CE LYS A 165 -1.924 -10.759 6.112 1.00 0.00 C ATOM 594 NZ LYS A 165 -2.182 -10.018 7.379 1.00 0.00 N ATOM 0 H LYS A 165 0.442 -7.093 3.990 1.00 0.00 H new ATOM 0 HA LYS A 165 1.405 -9.748 4.084 1.00 0.00 H new ATOM 0 HB2 LYS A 165 -0.699 -8.428 2.327 1.00 0.00 H new ATOM 0 HB3 LYS A 165 -0.472 -10.159 2.480 1.00 0.00 H new ATOM 0 HG2 LYS A 165 -1.409 -8.215 4.608 1.00 0.00 H new ATOM 0 HG3 LYS A 165 -2.297 -9.554 3.908 1.00 0.00 H new ATOM 0 HD2 LYS A 165 -0.181 -10.936 4.870 1.00 0.00 H new ATOM 0 HD3 LYS A 165 -0.133 -9.581 5.981 1.00 0.00 H new ATOM 0 HE2 LYS A 165 -2.830 -10.766 5.505 1.00 0.00 H new ATOM 0 HE3 LYS A 165 -1.686 -11.798 6.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 -2.965 -10.470 7.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 -1.326 -10.033 7.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 -2.435 -9.033 7.160 1.00 0.00 H new ATOM 608 N TRP A 166 2.107 -8.005 1.399 1.00 0.00 N ATOM 609 CA TRP A 166 2.909 -7.982 0.183 1.00 0.00 C ATOM 610 C TRP A 166 4.393 -8.092 0.511 1.00 0.00 C ATOM 611 O TRP A 166 5.132 -8.828 -0.142 1.00 0.00 O ATOM 612 CB TRP A 166 2.642 -6.696 -0.600 1.00 0.00 C ATOM 613 CG TRP A 166 3.306 -6.669 -1.944 1.00 0.00 C ATOM 614 CD1 TRP A 166 4.493 -6.073 -2.259 1.00 0.00 C ATOM 615 CD2 TRP A 166 2.820 -7.262 -3.153 1.00 0.00 C ATOM 616 NE1 TRP A 166 4.774 -6.259 -3.591 1.00 0.00 N ATOM 617 CE2 TRP A 166 3.762 -6.987 -4.161 1.00 0.00 C ATOM 618 CE3 TRP A 166 1.679 -8.000 -3.481 1.00 0.00 C ATOM 619 CZ2 TRP A 166 3.599 -7.424 -5.473 1.00 0.00 C ATOM 620 CZ3 TRP A 166 1.518 -8.433 -4.784 1.00 0.00 C ATOM 621 CH2 TRP A 166 2.473 -8.145 -5.766 1.00 0.00 C ATOM 0 H TRP A 166 1.681 -7.110 1.639 1.00 0.00 H new ATOM 0 HA TRP A 166 2.626 -8.839 -0.429 1.00 0.00 H new ATOM 0 HB2 TRP A 166 1.567 -6.576 -0.732 1.00 0.00 H new ATOM 0 HB3 TRP A 166 2.988 -5.844 -0.015 1.00 0.00 H new ATOM 0 HD1 TRP A 166 5.119 -5.534 -1.563 1.00 0.00 H new ATOM 0 HE1 TRP A 166 5.601 -5.912 -4.077 1.00 0.00 H new ATOM 0 HE3 TRP A 166 0.937 -8.228 -2.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 4.335 -7.202 -6.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 0.640 -9.003 -5.049 1.00 0.00 H new ATOM 0 HH2 TRP A 166 2.318 -8.499 -6.775 1.00 0.00 H new ATOM 632 N LEU A 167 4.824 -7.353 1.529 1.00 0.00 N ATOM 633 CA LEU A 167 6.221 -7.365 1.946 1.00 0.00 C ATOM 634 C LEU A 167 6.620 -8.738 2.472 1.00 0.00 C ATOM 635 O LEU A 167 7.715 -9.229 2.194 1.00 0.00 O ATOM 636 CB LEU A 167 6.464 -6.305 3.022 1.00 0.00 C ATOM 637 CG LEU A 167 6.468 -4.861 2.518 1.00 0.00 C ATOM 638 CD1 LEU A 167 6.262 -3.893 3.673 1.00 0.00 C ATOM 639 CD2 LEU A 167 7.768 -4.556 1.789 1.00 0.00 C ATOM 0 H LEU A 167 4.225 -6.738 2.080 1.00 0.00 H new ATOM 0 HA LEU A 167 6.835 -7.136 1.075 1.00 0.00 H new ATOM 0 HB2 LEU A 167 5.695 -6.404 3.788 1.00 0.00 H new ATOM 0 HB3 LEU A 167 7.421 -6.509 3.502 1.00 0.00 H new ATOM 0 HG LEU A 167 5.643 -4.738 1.816 1.00 0.00 H new ATOM 0 HD11 LEU A 167 6.268 -2.870 3.296 1.00 0.00 H new ATOM 0 HD12 LEU A 167 5.305 -4.098 4.153 1.00 0.00 H new ATOM 0 HD13 LEU A 167 7.066 -4.017 4.399 1.00 0.00 H new ATOM 0 HD21 LEU A 167 7.754 -3.525 1.437 1.00 0.00 H new ATOM 0 HD22 LEU A 167 8.608 -4.696 2.469 1.00 0.00 H new ATOM 0 HD23 LEU A 167 7.874 -5.229 0.938 1.00 0.00 H new ATOM 651 N ALA A 168 5.724 -9.354 3.233 1.00 0.00 N ATOM 652 CA ALA A 168 5.977 -10.672 3.802 1.00 0.00 C ATOM 653 C ALA A 168 6.017 -11.741 2.716 1.00 0.00 C ATOM 654 O ALA A 168 6.732 -12.736 2.835 1.00 0.00 O ATOM 655 CB ALA A 168 4.919 -11.010 4.840 1.00 0.00 C ATOM 0 H ALA A 168 4.813 -8.961 3.471 1.00 0.00 H new ATOM 0 HA ALA A 168 6.952 -10.650 4.288 1.00 0.00 H new ATOM 0 HB1 ALA A 168 5.120 -11.997 5.257 1.00 0.00 H new ATOM 0 HB2 ALA A 168 4.942 -10.268 5.638 1.00 0.00 H new ATOM 0 HB3 ALA A 168 3.935 -11.008 4.371 1.00 0.00 H new ATOM 661 N LYS A 169 5.244 -11.530 1.656 1.00 0.00 N ATOM 662 CA LYS A 169 5.191 -12.476 0.548 1.00 0.00 C ATOM 663 C LYS A 169 6.364 -12.266 -0.404 1.00 0.00 C ATOM 664 O LYS A 169 6.869 -13.217 -1.002 1.00 0.00 O ATOM 665 CB LYS A 169 3.870 -12.332 -0.211 1.00 0.00 C ATOM 666 CG LYS A 169 3.243 -13.661 -0.600 1.00 0.00 C ATOM 667 CD LYS A 169 2.332 -14.189 0.497 1.00 0.00 C ATOM 668 CE LYS A 169 3.122 -14.596 1.730 1.00 0.00 C ATOM 669 NZ LYS A 169 2.246 -15.175 2.785 1.00 0.00 N ATOM 0 H LYS A 169 4.646 -10.712 1.541 1.00 0.00 H new ATOM 0 HA LYS A 169 5.257 -13.483 0.960 1.00 0.00 H new ATOM 0 HB2 LYS A 169 3.165 -11.774 0.406 1.00 0.00 H new ATOM 0 HB3 LYS A 169 4.041 -11.743 -1.112 1.00 0.00 H new ATOM 0 HG2 LYS A 169 2.673 -13.540 -1.521 1.00 0.00 H new ATOM 0 HG3 LYS A 169 4.028 -14.389 -0.804 1.00 0.00 H new ATOM 0 HD2 LYS A 169 1.604 -13.424 0.766 1.00 0.00 H new ATOM 0 HD3 LYS A 169 1.771 -15.046 0.124 1.00 0.00 H new ATOM 0 HE2 LYS A 169 3.883 -15.325 1.450 1.00 0.00 H new ATOM 0 HE3 LYS A 169 3.645 -13.727 2.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 2.823 -15.440 3.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 1.536 -14.471 3.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 1.766 -16.019 2.413 1.00 0.00 H new ATOM 683 N ALA A 170 6.793 -11.016 -0.541 1.00 0.00 N ATOM 684 CA ALA A 170 7.907 -10.682 -1.419 1.00 0.00 C ATOM 685 C ALA A 170 9.228 -10.681 -0.656 1.00 0.00 C ATOM 686 O ALA A 170 10.214 -11.239 -1.181 1.00 0.00 O ATOM 687 CB ALA A 170 7.673 -9.329 -2.075 1.00 0.00 C ATOM 688 OXT ALA A 170 9.264 -10.122 0.461 1.00 0.00 O ATOM 0 H ALA A 170 6.385 -10.217 -0.055 1.00 0.00 H new ATOM 0 HA ALA A 170 7.967 -11.445 -2.195 1.00 0.00 H new ATOM 0 HB1 ALA A 170 8.513 -9.091 -2.728 1.00 0.00 H new ATOM 0 HB2 ALA A 170 6.755 -9.363 -2.662 1.00 0.00 H new ATOM 0 HB3 ALA A 170 7.584 -8.562 -1.306 1.00 0.00 H new TER 694 ALA A 170