USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 444 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 NoAdj-H: A 152 HIS HD1 : A 152 HIS ND1 : A 182 ZNZN :(H bumps) USER MOD Set 1.1: A 146 HIS : no HD1:sc= 0.0317 X(o=0.076,f=-0.098) USER MOD Set 1.2: A 172 SER OG : rot -106:sc= 0.0439 USER MOD Set 2.1: A 143 HIS :FLIP no HE2:sc= -3.37 F(o=-3.6,f=-2.7) USER MOD Set 2.2: A 153 SER OG : rot 76:sc= 0.693 USER MOD Single : A 126 CYS SG : rot 180:sc= 0.0539 USER MOD Single : A 128 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 ASN : amide:sc= -0.245 X(o=-0.25,f=-0.043) USER MOD Single : A 137 SER OG : rot 85:sc= 1.15 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 TYR OH : rot 180:sc= 0 USER MOD Single : A 147 LYS NZ :NH3+ -123:sc= -0.0455 (180deg=-1.67!) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 THR OG1 : rot 180:sc= 0 USER MOD Single : A 157 THR OG1 : rot 180:sc= 0 USER MOD Single : A 164 MET CE :methyl 164:sc= -0.0327 (180deg=-0.17) USER MOD Single : A 165 GLN :FLIP amide:sc= -3.43! F(o=-4,f=-3.4!) USER MOD Single : A 168 CYS SG : rot 180:sc= -0.125 USER MOD Single : A 169 GLN : amide:sc= -0.237 K(o=-0.24,f=-2!) USER MOD Single : A 170 GLN : amide:sc=-0.00921 X(o=-0.0092,f=0) USER MOD Single : A 171 CYS SG : rot 180:sc= 0 USER MOD Single : A 175 HIS : no HE2:sc= -2.22 K(o=-2.2,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 124 2.381 14.521 -6.055 1.00 0.00 N ATOM 2 CA ALA A 124 1.212 14.193 -5.197 1.00 0.00 C ATOM 3 C ALA A 124 0.463 12.980 -5.734 1.00 0.00 C ATOM 4 O ALA A 124 -0.138 13.034 -6.808 1.00 0.00 O ATOM 5 CB ALA A 124 0.278 15.390 -5.100 1.00 0.00 C ATOM 0 HA ALA A 124 1.580 13.950 -4.200 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -0.574 15.137 -4.469 1.00 0.00 H new ATOM 0 HB2 ALA A 124 0.813 16.235 -4.666 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -0.075 15.658 -6.096 1.00 0.00 H new ATOM 11 N ILE A 125 0.500 11.886 -4.981 1.00 0.00 N ATOM 12 CA ILE A 125 -0.177 10.659 -5.381 1.00 0.00 C ATOM 13 C ILE A 125 -0.993 10.081 -4.231 1.00 0.00 C ATOM 14 O ILE A 125 -0.505 9.963 -3.108 1.00 0.00 O ATOM 15 CB ILE A 125 0.827 9.596 -5.869 1.00 0.00 C ATOM 16 CG1 ILE A 125 1.802 10.206 -6.877 1.00 0.00 C ATOM 17 CG2 ILE A 125 0.090 8.414 -6.482 1.00 0.00 C ATOM 18 CD1 ILE A 125 2.833 9.225 -7.391 1.00 0.00 C ATOM 0 H ILE A 125 0.992 11.824 -4.090 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.845 10.920 -6.201 1.00 0.00 H new ATOM 0 HB ILE A 125 1.399 9.238 -5.013 1.00 0.00 H new ATOM 0 HG12 ILE A 125 1.238 10.603 -7.721 1.00 0.00 H new ATOM 0 HG13 ILE A 125 2.314 11.048 -6.411 1.00 0.00 H new ATOM 0 HG21 ILE A 125 0.812 7.672 -6.822 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -0.566 7.967 -5.735 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -0.505 8.756 -7.329 1.00 0.00 H new ATOM 0 HD11 ILE A 125 3.490 9.727 -8.101 1.00 0.00 H new ATOM 0 HD12 ILE A 125 3.423 8.846 -6.556 1.00 0.00 H new ATOM 0 HD13 ILE A 125 2.330 8.395 -7.886 1.00 0.00 H new ATOM 30 N CYS A 126 -2.240 9.721 -4.519 1.00 0.00 N ATOM 31 CA CYS A 126 -3.125 9.154 -3.509 1.00 0.00 C ATOM 32 C CYS A 126 -2.921 7.647 -3.390 1.00 0.00 C ATOM 33 O CYS A 126 -2.508 6.988 -4.343 1.00 0.00 O ATOM 34 CB CYS A 126 -4.585 9.458 -3.852 1.00 0.00 C ATOM 35 SG CYS A 126 -5.085 8.905 -5.499 1.00 0.00 S ATOM 0 H CYS A 126 -2.660 9.812 -5.444 1.00 0.00 H new ATOM 0 HA CYS A 126 -2.881 9.611 -2.550 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -5.228 8.984 -3.110 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -4.749 10.533 -3.776 1.00 0.00 H new ATOM 0 HG CYS A 126 -6.335 9.204 -5.696 1.00 0.00 H new ATOM 41 N CYS A 127 -3.218 7.108 -2.211 1.00 0.00 N ATOM 42 CA CYS A 127 -3.068 5.678 -1.965 1.00 0.00 C ATOM 43 C CYS A 127 -4.007 4.874 -2.858 1.00 0.00 C ATOM 44 O CYS A 127 -5.204 5.155 -2.932 1.00 0.00 O ATOM 45 CB CYS A 127 -3.348 5.362 -0.494 1.00 0.00 C ATOM 46 SG CYS A 127 -2.950 3.666 -0.012 1.00 0.00 S ATOM 0 H CYS A 127 -3.564 7.640 -1.412 1.00 0.00 H new ATOM 0 HA CYS A 127 -2.041 5.397 -2.201 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -2.775 6.049 0.129 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -4.402 5.549 -0.288 1.00 0.00 H new ATOM 51 N GLN A 128 -3.458 3.870 -3.536 1.00 0.00 N ATOM 52 CA GLN A 128 -4.248 3.024 -4.424 1.00 0.00 C ATOM 53 C GLN A 128 -5.408 2.377 -3.673 1.00 0.00 C ATOM 54 O GLN A 128 -6.460 2.106 -4.252 1.00 0.00 O ATOM 55 CB GLN A 128 -3.364 1.943 -5.050 1.00 0.00 C ATOM 56 CG GLN A 128 -2.174 2.498 -5.815 1.00 0.00 C ATOM 57 CD GLN A 128 -1.877 1.715 -7.080 1.00 0.00 C ATOM 58 OE1 GLN A 128 -2.654 1.738 -8.034 1.00 0.00 O ATOM 59 NE2 GLN A 128 -0.747 1.018 -7.092 1.00 0.00 N ATOM 0 H GLN A 128 -2.470 3.623 -3.487 1.00 0.00 H new ATOM 0 HA GLN A 128 -4.658 3.653 -5.214 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -3.003 1.280 -4.264 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -3.968 1.337 -5.725 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -2.367 3.539 -6.073 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -1.295 2.487 -5.170 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -0.133 1.028 -6.278 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -0.493 0.472 -7.915 1.00 0.00 H new ATOM 68 N VAL A 129 -5.209 2.137 -2.383 1.00 0.00 N ATOM 69 CA VAL A 129 -6.239 1.524 -1.552 1.00 0.00 C ATOM 70 C VAL A 129 -7.507 2.372 -1.535 1.00 0.00 C ATOM 71 O VAL A 129 -7.477 3.544 -1.160 1.00 0.00 O ATOM 72 CB VAL A 129 -5.745 1.325 -0.105 1.00 0.00 C ATOM 73 CG1 VAL A 129 -6.766 0.541 0.708 1.00 0.00 C ATOM 74 CG2 VAL A 129 -4.391 0.629 -0.093 1.00 0.00 C ATOM 0 H VAL A 129 -4.344 2.357 -1.889 1.00 0.00 H new ATOM 0 HA VAL A 129 -6.463 0.551 -1.988 1.00 0.00 H new ATOM 0 HB VAL A 129 -5.627 2.305 0.356 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -6.398 0.411 1.726 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -7.710 1.086 0.730 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -6.922 -0.436 0.251 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -4.059 0.497 0.937 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -4.479 -0.345 -0.573 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -3.665 1.236 -0.634 1.00 0.00 H new ATOM 84 N ASP A 130 -8.619 1.772 -1.947 1.00 0.00 N ATOM 85 CA ASP A 130 -9.898 2.472 -1.982 1.00 0.00 C ATOM 86 C ASP A 130 -10.271 3.002 -0.601 1.00 0.00 C ATOM 87 O ASP A 130 -10.452 4.204 -0.414 1.00 0.00 O ATOM 88 CB ASP A 130 -10.996 1.540 -2.498 1.00 0.00 C ATOM 89 CG ASP A 130 -10.782 1.138 -3.944 1.00 0.00 C ATOM 90 OD1 ASP A 130 -9.622 1.174 -4.404 1.00 0.00 O ATOM 91 OD2 ASP A 130 -11.775 0.787 -4.616 1.00 0.00 O ATOM 0 H ASP A 130 -8.660 0.803 -2.261 1.00 0.00 H new ATOM 0 HA ASP A 130 -9.800 3.321 -2.659 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -11.031 0.645 -1.877 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -11.963 2.034 -2.400 1.00 0.00 H new ATOM 96 N ASN A 131 -10.387 2.095 0.364 1.00 0.00 N ATOM 97 CA ASN A 131 -10.740 2.470 1.727 1.00 0.00 C ATOM 98 C ASN A 131 -9.561 3.142 2.431 1.00 0.00 C ATOM 99 O ASN A 131 -9.021 2.614 3.403 1.00 0.00 O ATOM 100 CB ASN A 131 -11.198 1.238 2.513 1.00 0.00 C ATOM 101 CG ASN A 131 -12.522 1.462 3.219 1.00 0.00 C ATOM 102 OD1 ASN A 131 -12.646 1.222 4.419 1.00 0.00 O ATOM 103 ND2 ASN A 131 -13.519 1.925 2.473 1.00 0.00 N ATOM 0 H ASN A 131 -10.241 1.095 0.226 1.00 0.00 H new ATOM 0 HA ASN A 131 -11.561 3.185 1.683 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -11.290 0.391 1.834 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -10.437 0.976 3.248 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -14.433 2.096 2.892 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -13.370 2.110 1.481 1.00 0.00 H new ATOM 110 N CYS A 132 -9.169 4.309 1.931 1.00 0.00 N ATOM 111 CA CYS A 132 -8.056 5.052 2.512 1.00 0.00 C ATOM 112 C CYS A 132 -8.197 6.548 2.244 1.00 0.00 C ATOM 113 O CYS A 132 -8.402 7.337 3.167 1.00 0.00 O ATOM 114 CB CYS A 132 -6.726 4.544 1.953 1.00 0.00 C ATOM 115 SG CYS A 132 -5.298 4.903 3.003 1.00 0.00 S ATOM 0 H CYS A 132 -9.604 4.760 1.126 1.00 0.00 H new ATOM 0 HA CYS A 132 -8.072 4.893 3.590 1.00 0.00 H new ATOM 0 HB2 CYS A 132 -6.794 3.466 1.807 1.00 0.00 H new ATOM 0 HB3 CYS A 132 -6.563 4.989 0.972 1.00 0.00 H new ATOM 120 N GLY A 133 -8.084 6.932 0.976 1.00 0.00 N ATOM 121 CA GLY A 133 -8.201 8.333 0.615 1.00 0.00 C ATOM 122 C GLY A 133 -7.104 9.182 1.226 1.00 0.00 C ATOM 123 O GLY A 133 -7.307 10.363 1.507 1.00 0.00 O ATOM 0 H GLY A 133 -7.914 6.300 0.194 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -8.169 8.429 -0.470 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -9.171 8.709 0.940 1.00 0.00 H new ATOM 127 N ALA A 134 -5.938 8.578 1.433 1.00 0.00 N ATOM 128 CA ALA A 134 -4.805 9.285 2.016 1.00 0.00 C ATOM 129 C ALA A 134 -4.029 10.053 0.951 1.00 0.00 C ATOM 130 O ALA A 134 -4.410 10.066 -0.219 1.00 0.00 O ATOM 131 CB ALA A 134 -3.887 8.309 2.736 1.00 0.00 C ATOM 0 H ALA A 134 -5.754 7.601 1.205 1.00 0.00 H new ATOM 0 HA ALA A 134 -5.192 10.005 2.738 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -3.045 8.851 3.166 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -4.440 7.808 3.530 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -3.517 7.568 2.028 1.00 0.00 H new ATOM 137 N ASP A 135 -2.941 10.694 1.364 1.00 0.00 N ATOM 138 CA ASP A 135 -2.112 11.465 0.446 1.00 0.00 C ATOM 139 C ASP A 135 -0.641 11.092 0.594 1.00 0.00 C ATOM 140 O ASP A 135 -0.164 10.836 1.699 1.00 0.00 O ATOM 141 CB ASP A 135 -2.297 12.963 0.693 1.00 0.00 C ATOM 142 CG ASP A 135 -2.299 13.766 -0.593 1.00 0.00 C ATOM 143 OD1 ASP A 135 -2.918 13.308 -1.576 1.00 0.00 O ATOM 144 OD2 ASP A 135 -1.685 14.853 -0.615 1.00 0.00 O ATOM 0 H ASP A 135 -2.613 10.695 2.330 1.00 0.00 H new ATOM 0 HA ASP A 135 -2.427 11.229 -0.571 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -3.236 13.128 1.222 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -1.498 13.323 1.341 1.00 0.00 H new ATOM 149 N LEU A 136 0.072 11.061 -0.527 1.00 0.00 N ATOM 150 CA LEU A 136 1.491 10.718 -0.522 1.00 0.00 C ATOM 151 C LEU A 136 2.332 11.883 -1.033 1.00 0.00 C ATOM 152 O LEU A 136 3.242 11.698 -1.843 1.00 0.00 O ATOM 153 CB LEU A 136 1.739 9.476 -1.380 1.00 0.00 C ATOM 154 CG LEU A 136 0.797 8.302 -1.108 1.00 0.00 C ATOM 155 CD1 LEU A 136 1.022 7.190 -2.121 1.00 0.00 C ATOM 156 CD2 LEU A 136 0.991 7.781 0.309 1.00 0.00 C ATOM 0 H LEU A 136 -0.308 11.269 -1.450 1.00 0.00 H new ATOM 0 HA LEU A 136 1.786 10.504 0.505 1.00 0.00 H new ATOM 0 HB2 LEU A 136 1.653 9.755 -2.430 1.00 0.00 H new ATOM 0 HB3 LEU A 136 2.765 9.143 -1.222 1.00 0.00 H new ATOM 0 HG LEU A 136 -0.230 8.654 -1.208 1.00 0.00 H new ATOM 0 HD11 LEU A 136 0.343 6.364 -1.911 1.00 0.00 H new ATOM 0 HD12 LEU A 136 0.833 7.569 -3.125 1.00 0.00 H new ATOM 0 HD13 LEU A 136 2.052 6.839 -2.054 1.00 0.00 H new ATOM 0 HD21 LEU A 136 0.313 6.946 0.486 1.00 0.00 H new ATOM 0 HD22 LEU A 136 2.020 7.446 0.436 1.00 0.00 H new ATOM 0 HD23 LEU A 136 0.779 8.578 1.022 1.00 0.00 H new ATOM 168 N SER A 137 2.023 13.084 -0.556 1.00 0.00 N ATOM 169 CA SER A 137 2.751 14.279 -0.964 1.00 0.00 C ATOM 170 C SER A 137 3.863 14.607 0.026 1.00 0.00 C ATOM 171 O SER A 137 4.899 15.156 -0.348 1.00 0.00 O ATOM 172 CB SER A 137 1.794 15.467 -1.085 1.00 0.00 C ATOM 173 OG SER A 137 0.563 15.073 -1.667 1.00 0.00 O ATOM 0 H SER A 137 1.273 13.255 0.114 1.00 0.00 H new ATOM 0 HA SER A 137 3.203 14.083 -1.936 1.00 0.00 H new ATOM 0 HB2 SER A 137 1.613 15.894 -0.099 1.00 0.00 H new ATOM 0 HB3 SER A 137 2.253 16.248 -1.691 1.00 0.00 H new ATOM 0 HG SER A 137 -0.029 14.718 -0.971 1.00 0.00 H new ATOM 179 N LYS A 138 3.643 14.264 1.291 1.00 0.00 N ATOM 180 CA LYS A 138 4.628 14.522 2.335 1.00 0.00 C ATOM 181 C LYS A 138 5.741 13.480 2.305 1.00 0.00 C ATOM 182 O LYS A 138 6.887 13.771 2.645 1.00 0.00 O ATOM 183 CB LYS A 138 3.956 14.527 3.709 1.00 0.00 C ATOM 184 CG LYS A 138 4.901 14.878 4.847 1.00 0.00 C ATOM 185 CD LYS A 138 4.193 15.678 5.930 1.00 0.00 C ATOM 186 CE LYS A 138 4.793 15.410 7.301 1.00 0.00 C ATOM 187 NZ LYS A 138 4.348 16.412 8.309 1.00 0.00 N ATOM 0 H LYS A 138 2.792 13.807 1.618 1.00 0.00 H new ATOM 0 HA LYS A 138 5.068 15.502 2.149 1.00 0.00 H new ATOM 0 HB2 LYS A 138 3.132 15.241 3.699 1.00 0.00 H new ATOM 0 HB3 LYS A 138 3.524 13.544 3.897 1.00 0.00 H new ATOM 0 HG2 LYS A 138 5.311 13.964 5.277 1.00 0.00 H new ATOM 0 HG3 LYS A 138 5.742 15.453 4.459 1.00 0.00 H new ATOM 0 HD2 LYS A 138 4.263 16.742 5.703 1.00 0.00 H new ATOM 0 HD3 LYS A 138 3.133 15.423 5.939 1.00 0.00 H new ATOM 0 HE2 LYS A 138 4.509 14.411 7.632 1.00 0.00 H new ATOM 0 HE3 LYS A 138 5.881 15.425 7.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 4.779 16.193 9.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 4.641 17.363 8.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 3.312 16.380 8.396 1.00 0.00 H new ATOM 201 N VAL A 139 5.396 12.264 1.894 1.00 0.00 N ATOM 202 CA VAL A 139 6.365 11.178 1.818 1.00 0.00 C ATOM 203 C VAL A 139 7.508 11.528 0.870 1.00 0.00 C ATOM 204 O VAL A 139 7.537 12.612 0.290 1.00 0.00 O ATOM 205 CB VAL A 139 5.708 9.867 1.348 1.00 0.00 C ATOM 206 CG1 VAL A 139 4.704 9.375 2.379 1.00 0.00 C ATOM 207 CG2 VAL A 139 5.043 10.059 -0.006 1.00 0.00 C ATOM 0 H VAL A 139 4.451 12.006 1.608 1.00 0.00 H new ATOM 0 HA VAL A 139 6.759 11.036 2.824 1.00 0.00 H new ATOM 0 HB VAL A 139 6.485 9.110 1.241 1.00 0.00 H new ATOM 0 HG11 VAL A 139 4.249 8.448 2.030 1.00 0.00 H new ATOM 0 HG12 VAL A 139 5.213 9.196 3.326 1.00 0.00 H new ATOM 0 HG13 VAL A 139 3.929 10.128 2.520 1.00 0.00 H new ATOM 0 HG21 VAL A 139 4.584 9.122 -0.322 1.00 0.00 H new ATOM 0 HG22 VAL A 139 4.277 10.830 0.071 1.00 0.00 H new ATOM 0 HG23 VAL A 139 5.791 10.362 -0.739 1.00 0.00 H new ATOM 217 N LYS A 140 8.449 10.601 0.717 1.00 0.00 N ATOM 218 CA LYS A 140 9.595 10.809 -0.161 1.00 0.00 C ATOM 219 C LYS A 140 9.755 9.645 -1.132 1.00 0.00 C ATOM 220 O LYS A 140 9.387 9.742 -2.303 1.00 0.00 O ATOM 221 CB LYS A 140 10.870 10.985 0.665 1.00 0.00 C ATOM 222 CG LYS A 140 11.052 12.391 1.212 1.00 0.00 C ATOM 223 CD LYS A 140 12.515 12.694 1.495 1.00 0.00 C ATOM 224 CE LYS A 140 13.150 13.483 0.361 1.00 0.00 C ATOM 225 NZ LYS A 140 14.365 14.216 0.808 1.00 0.00 N ATOM 0 H LYS A 140 8.440 9.698 1.190 1.00 0.00 H new ATOM 0 HA LYS A 140 9.420 11.716 -0.740 1.00 0.00 H new ATOM 0 HB2 LYS A 140 10.854 10.280 1.496 1.00 0.00 H new ATOM 0 HB3 LYS A 140 11.731 10.730 0.047 1.00 0.00 H new ATOM 0 HG2 LYS A 140 10.661 13.114 0.496 1.00 0.00 H new ATOM 0 HG3 LYS A 140 10.472 12.504 2.128 1.00 0.00 H new ATOM 0 HD2 LYS A 140 12.598 13.259 2.424 1.00 0.00 H new ATOM 0 HD3 LYS A 140 13.059 11.761 1.640 1.00 0.00 H new ATOM 0 HE2 LYS A 140 13.413 12.805 -0.450 1.00 0.00 H new ATOM 0 HE3 LYS A 140 12.425 14.192 -0.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 14.768 14.741 0.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 14.110 14.882 1.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 15.068 13.538 1.166 1.00 0.00 H new ATOM 239 N ASP A 141 10.308 8.545 -0.637 1.00 0.00 N ATOM 240 CA ASP A 141 10.519 7.359 -1.457 1.00 0.00 C ATOM 241 C ASP A 141 10.011 6.109 -0.747 1.00 0.00 C ATOM 242 O ASP A 141 9.577 6.169 0.404 1.00 0.00 O ATOM 243 CB ASP A 141 12.004 7.201 -1.790 1.00 0.00 C ATOM 244 CG ASP A 141 12.366 7.830 -3.122 1.00 0.00 C ATOM 245 OD1 ASP A 141 12.080 7.210 -4.168 1.00 0.00 O ATOM 246 OD2 ASP A 141 12.937 8.941 -3.119 1.00 0.00 O ATOM 0 H ASP A 141 10.619 8.450 0.330 1.00 0.00 H new ATOM 0 HA ASP A 141 9.957 7.484 -2.382 1.00 0.00 H new ATOM 0 HB2 ASP A 141 12.601 7.658 -1.001 1.00 0.00 H new ATOM 0 HB3 ASP A 141 12.259 6.141 -1.810 1.00 0.00 H new ATOM 251 N TYR A 142 10.063 4.976 -1.441 1.00 0.00 N ATOM 252 CA TYR A 142 9.607 3.710 -0.878 1.00 0.00 C ATOM 253 C TYR A 142 8.137 3.792 -0.475 1.00 0.00 C ATOM 254 O TYR A 142 7.703 3.123 0.462 1.00 0.00 O ATOM 255 CB TYR A 142 10.459 3.331 0.335 1.00 0.00 C ATOM 256 CG TYR A 142 10.733 1.848 0.444 1.00 0.00 C ATOM 257 CD1 TYR A 142 9.765 0.978 0.929 1.00 0.00 C ATOM 258 CD2 TYR A 142 11.960 1.319 0.063 1.00 0.00 C ATOM 259 CE1 TYR A 142 10.011 -0.379 1.031 1.00 0.00 C ATOM 260 CE2 TYR A 142 12.213 -0.037 0.161 1.00 0.00 C ATOM 261 CZ TYR A 142 11.237 -0.880 0.646 1.00 0.00 C ATOM 262 OH TYR A 142 11.486 -2.231 0.746 1.00 0.00 O ATOM 0 H TYR A 142 10.417 4.909 -2.395 1.00 0.00 H new ATOM 0 HA TYR A 142 9.714 2.941 -1.643 1.00 0.00 H new ATOM 0 HB2 TYR A 142 11.408 3.864 0.282 1.00 0.00 H new ATOM 0 HB3 TYR A 142 9.955 3.666 1.241 1.00 0.00 H new ATOM 0 HD1 TYR A 142 8.804 1.368 1.231 1.00 0.00 H new ATOM 0 HD2 TYR A 142 12.728 1.977 -0.316 1.00 0.00 H new ATOM 0 HE1 TYR A 142 9.248 -1.042 1.410 1.00 0.00 H new ATOM 0 HE2 TYR A 142 13.171 -0.433 -0.141 1.00 0.00 H new ATOM 0 HH TYR A 142 12.395 -2.420 0.433 1.00 0.00 H new ATOM 272 N HIS A 143 7.379 4.614 -1.189 1.00 0.00 N ATOM 273 CA HIS A 143 5.958 4.781 -0.905 1.00 0.00 C ATOM 274 C HIS A 143 5.253 5.492 -2.055 1.00 0.00 C ATOM 275 O HIS A 143 4.202 5.052 -2.519 1.00 0.00 O ATOM 276 CB HIS A 143 5.765 5.570 0.392 1.00 0.00 C ATOM 277 CG HIS A 143 5.811 4.718 1.623 1.00 0.00 C ATOM 278 ND1 HIS A 143 5.149 3.580 1.937 1.00 0.00 N flip ATOM 279 CD2 HIS A 143 6.612 5.007 2.708 1.00 0.00 C flip ATOM 280 CE1 HIS A 143 5.559 3.205 3.193 1.00 0.00 C flip ATOM 281 NE2 HIS A 143 6.442 4.081 3.635 1.00 0.00 N flip ATOM 0 H HIS A 143 7.723 5.175 -1.968 1.00 0.00 H new ATOM 0 HA HIS A 143 5.518 3.791 -0.789 1.00 0.00 H new ATOM 0 HB2 HIS A 143 6.538 6.335 0.461 1.00 0.00 H new ATOM 0 HB3 HIS A 143 4.806 6.088 0.354 1.00 0.00 H new ATOM 0 HD1 HIS A 143 4.472 3.092 1.350 1.00 0.00 H new ATOM 0 HD2 HIS A 143 7.274 5.857 2.787 1.00 0.00 H new ATOM 0 HE1 HIS A 143 5.215 2.335 3.732 1.00 0.00 H new ATOM 289 N ARG A 144 5.840 6.593 -2.511 1.00 0.00 N ATOM 290 CA ARG A 144 5.269 7.366 -3.608 1.00 0.00 C ATOM 291 C ARG A 144 5.350 6.590 -4.919 1.00 0.00 C ATOM 292 O ARG A 144 4.355 6.448 -5.630 1.00 0.00 O ATOM 293 CB ARG A 144 5.997 8.705 -3.749 1.00 0.00 C ATOM 294 CG ARG A 144 5.398 9.614 -4.812 1.00 0.00 C ATOM 295 CD ARG A 144 4.865 10.906 -4.212 1.00 0.00 C ATOM 296 NE ARG A 144 5.220 12.071 -5.019 1.00 0.00 N ATOM 297 CZ ARG A 144 6.417 12.653 -4.996 1.00 0.00 C ATOM 298 NH1 ARG A 144 7.377 12.182 -4.208 1.00 0.00 N ATOM 299 NH2 ARG A 144 6.657 13.708 -5.762 1.00 0.00 N ATOM 0 H ARG A 144 6.711 6.970 -2.138 1.00 0.00 H new ATOM 0 HA ARG A 144 4.219 7.553 -3.381 1.00 0.00 H new ATOM 0 HB2 ARG A 144 5.980 9.221 -2.789 1.00 0.00 H new ATOM 0 HB3 ARG A 144 7.043 8.517 -3.991 1.00 0.00 H new ATOM 0 HG2 ARG A 144 6.155 9.846 -5.561 1.00 0.00 H new ATOM 0 HG3 ARG A 144 4.591 9.091 -5.325 1.00 0.00 H new ATOM 0 HD2 ARG A 144 3.780 10.844 -4.122 1.00 0.00 H new ATOM 0 HD3 ARG A 144 5.262 11.028 -3.204 1.00 0.00 H new ATOM 0 HE ARG A 144 4.508 12.462 -5.637 1.00 0.00 H new ATOM 0 HH11 ARG A 144 7.199 11.370 -3.616 1.00 0.00 H new ATOM 0 HH12 ARG A 144 8.292 12.632 -4.194 1.00 0.00 H new ATOM 0 HH21 ARG A 144 5.924 14.074 -6.370 1.00 0.00 H new ATOM 0 HH22 ARG A 144 7.574 14.153 -5.744 1.00 0.00 H new ATOM 313 N ARG A 145 6.541 6.090 -5.233 1.00 0.00 N ATOM 314 CA ARG A 145 6.751 5.327 -6.458 1.00 0.00 C ATOM 315 C ARG A 145 5.859 4.089 -6.486 1.00 0.00 C ATOM 316 O ARG A 145 5.184 3.820 -7.480 1.00 0.00 O ATOM 317 CB ARG A 145 8.222 4.920 -6.582 1.00 0.00 C ATOM 318 CG ARG A 145 8.905 5.480 -7.821 1.00 0.00 C ATOM 319 CD ARG A 145 9.682 4.406 -8.565 1.00 0.00 C ATOM 320 NE ARG A 145 10.896 4.937 -9.182 1.00 0.00 N ATOM 321 CZ ARG A 145 11.629 4.271 -10.071 1.00 0.00 C ATOM 322 NH1 ARG A 145 11.272 3.051 -10.454 1.00 0.00 N ATOM 323 NH2 ARG A 145 12.717 4.828 -10.581 1.00 0.00 N ATOM 0 H ARG A 145 7.375 6.200 -4.656 1.00 0.00 H new ATOM 0 HA ARG A 145 6.486 5.960 -7.305 1.00 0.00 H new ATOM 0 HB2 ARG A 145 8.760 5.258 -5.696 1.00 0.00 H new ATOM 0 HB3 ARG A 145 8.289 3.832 -6.600 1.00 0.00 H new ATOM 0 HG2 ARG A 145 8.157 5.914 -8.484 1.00 0.00 H new ATOM 0 HG3 ARG A 145 9.581 6.285 -7.532 1.00 0.00 H new ATOM 0 HD2 ARG A 145 9.947 3.606 -7.874 1.00 0.00 H new ATOM 0 HD3 ARG A 145 9.047 3.966 -9.334 1.00 0.00 H new ATOM 0 HE ARG A 145 11.199 5.874 -8.915 1.00 0.00 H new ATOM 0 HH11 ARG A 145 10.433 2.620 -10.067 1.00 0.00 H new ATOM 0 HH12 ARG A 145 11.837 2.545 -11.136 1.00 0.00 H new ATOM 0 HH21 ARG A 145 12.993 5.767 -10.292 1.00 0.00 H new ATOM 0 HH22 ARG A 145 13.279 4.318 -11.262 1.00 0.00 H new ATOM 337 N HIS A 146 5.865 3.338 -5.389 1.00 0.00 N ATOM 338 CA HIS A 146 5.056 2.129 -5.285 1.00 0.00 C ATOM 339 C HIS A 146 3.570 2.464 -5.159 1.00 0.00 C ATOM 340 O HIS A 146 2.715 1.591 -5.310 1.00 0.00 O ATOM 341 CB HIS A 146 5.506 1.294 -4.086 1.00 0.00 C ATOM 342 CG HIS A 146 6.923 0.823 -4.181 1.00 0.00 C ATOM 343 ND1 HIS A 146 7.558 0.582 -5.382 1.00 0.00 N ATOM 344 CD2 HIS A 146 7.833 0.548 -3.216 1.00 0.00 C ATOM 345 CE1 HIS A 146 8.794 0.179 -5.150 1.00 0.00 C ATOM 346 NE2 HIS A 146 8.987 0.151 -3.845 1.00 0.00 N ATOM 0 H HIS A 146 6.421 3.546 -4.560 1.00 0.00 H new ATOM 0 HA HIS A 146 5.198 1.552 -6.199 1.00 0.00 H new ATOM 0 HB2 HIS A 146 5.389 1.885 -3.178 1.00 0.00 H new ATOM 0 HB3 HIS A 146 4.850 0.429 -3.990 1.00 0.00 H new ATOM 0 HD2 HIS A 146 7.679 0.626 -2.150 1.00 0.00 H new ATOM 0 HE1 HIS A 146 9.524 -0.083 -5.902 1.00 0.00 H new ATOM 0 HE2 HIS A 146 9.853 -0.121 -3.379 1.00 0.00 H new ATOM 354 N LYS A 147 3.266 3.728 -4.879 1.00 0.00 N ATOM 355 CA LYS A 147 1.883 4.170 -4.731 1.00 0.00 C ATOM 356 C LYS A 147 1.203 3.452 -3.570 1.00 0.00 C ATOM 357 O LYS A 147 0.440 2.507 -3.771 1.00 0.00 O ATOM 358 CB LYS A 147 1.106 3.923 -6.027 1.00 0.00 C ATOM 359 CG LYS A 147 1.224 5.056 -7.033 1.00 0.00 C ATOM 360 CD LYS A 147 0.718 4.641 -8.405 1.00 0.00 C ATOM 361 CE LYS A 147 1.665 5.085 -9.509 1.00 0.00 C ATOM 362 NZ LYS A 147 1.664 6.564 -9.682 1.00 0.00 N ATOM 0 H LYS A 147 3.959 4.465 -4.750 1.00 0.00 H new ATOM 0 HA LYS A 147 1.890 5.239 -4.518 1.00 0.00 H new ATOM 0 HB2 LYS A 147 1.465 3.002 -6.486 1.00 0.00 H new ATOM 0 HB3 LYS A 147 0.054 3.770 -5.786 1.00 0.00 H new ATOM 0 HG2 LYS A 147 0.656 5.917 -6.680 1.00 0.00 H new ATOM 0 HG3 LYS A 147 2.265 5.370 -7.108 1.00 0.00 H new ATOM 0 HD2 LYS A 147 0.602 3.558 -8.438 1.00 0.00 H new ATOM 0 HD3 LYS A 147 -0.268 5.073 -8.576 1.00 0.00 H new ATOM 0 HE2 LYS A 147 2.675 4.748 -9.278 1.00 0.00 H new ATOM 0 HE3 LYS A 147 1.377 4.610 -10.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 147 1.413 6.799 -10.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 147 0.968 6.989 -9.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 147 2.610 6.939 -9.467 1.00 0.00 H new ATOM 376 N VAL A 148 1.487 3.910 -2.355 1.00 0.00 N ATOM 377 CA VAL A 148 0.904 3.315 -1.158 1.00 0.00 C ATOM 378 C VAL A 148 1.372 4.043 0.098 1.00 0.00 C ATOM 379 O VAL A 148 2.533 4.445 0.198 1.00 0.00 O ATOM 380 CB VAL A 148 1.265 1.820 -1.042 1.00 0.00 C ATOM 381 CG1 VAL A 148 2.771 1.637 -0.937 1.00 0.00 C ATOM 382 CG2 VAL A 148 0.559 1.190 0.150 1.00 0.00 C ATOM 0 H VAL A 148 2.117 4.691 -2.173 1.00 0.00 H new ATOM 0 HA VAL A 148 -0.178 3.412 -1.248 1.00 0.00 H new ATOM 0 HB VAL A 148 0.925 1.314 -1.946 1.00 0.00 H new ATOM 0 HG11 VAL A 148 3.004 0.575 -0.856 1.00 0.00 H new ATOM 0 HG12 VAL A 148 3.250 2.047 -1.826 1.00 0.00 H new ATOM 0 HG13 VAL A 148 3.140 2.158 -0.053 1.00 0.00 H new ATOM 0 HG21 VAL A 148 0.826 0.135 0.215 1.00 0.00 H new ATOM 0 HG22 VAL A 148 0.864 1.699 1.064 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -0.520 1.284 0.025 1.00 0.00 H new ATOM 392 N CYS A 149 0.465 4.212 1.053 1.00 0.00 N ATOM 393 CA CYS A 149 0.789 4.892 2.302 1.00 0.00 C ATOM 394 C CYS A 149 1.633 3.998 3.206 1.00 0.00 C ATOM 395 O CYS A 149 2.167 2.980 2.763 1.00 0.00 O ATOM 396 CB CYS A 149 -0.494 5.322 3.022 1.00 0.00 C ATOM 397 SG CYS A 149 -1.441 3.956 3.735 1.00 0.00 S ATOM 0 H CYS A 149 -0.500 3.888 0.987 1.00 0.00 H new ATOM 0 HA CYS A 149 1.373 5.782 2.065 1.00 0.00 H new ATOM 0 HB2 CYS A 149 -0.234 6.022 3.816 1.00 0.00 H new ATOM 0 HB3 CYS A 149 -1.129 5.860 2.318 1.00 0.00 H new ATOM 402 N GLU A 150 1.752 4.382 4.473 1.00 0.00 N ATOM 403 CA GLU A 150 2.536 3.613 5.434 1.00 0.00 C ATOM 404 C GLU A 150 1.685 2.527 6.088 1.00 0.00 C ATOM 405 O GLU A 150 2.189 1.463 6.446 1.00 0.00 O ATOM 406 CB GLU A 150 3.117 4.539 6.504 1.00 0.00 C ATOM 407 CG GLU A 150 4.573 4.904 6.265 1.00 0.00 C ATOM 408 CD GLU A 150 5.523 3.782 6.633 1.00 0.00 C ATOM 409 OE1 GLU A 150 5.497 2.735 5.953 1.00 0.00 O ATOM 410 OE2 GLU A 150 6.294 3.950 7.602 1.00 0.00 O ATOM 0 H GLU A 150 1.316 5.220 4.858 1.00 0.00 H new ATOM 0 HA GLU A 150 3.353 3.131 4.897 1.00 0.00 H new ATOM 0 HB2 GLU A 150 2.524 5.452 6.544 1.00 0.00 H new ATOM 0 HB3 GLU A 150 3.027 4.058 7.478 1.00 0.00 H new ATOM 0 HG2 GLU A 150 4.711 5.163 5.215 1.00 0.00 H new ATOM 0 HG3 GLU A 150 4.822 5.791 6.847 1.00 0.00 H new ATOM 417 N ILE A 151 0.395 2.804 6.244 1.00 0.00 N ATOM 418 CA ILE A 151 -0.522 1.852 6.859 1.00 0.00 C ATOM 419 C ILE A 151 -0.571 0.547 6.069 1.00 0.00 C ATOM 420 O ILE A 151 -0.052 -0.479 6.513 1.00 0.00 O ATOM 421 CB ILE A 151 -1.944 2.442 6.972 1.00 0.00 C ATOM 422 CG1 ILE A 151 -1.942 3.631 7.931 1.00 0.00 C ATOM 423 CG2 ILE A 151 -2.941 1.392 7.435 1.00 0.00 C ATOM 424 CD1 ILE A 151 -2.202 4.945 7.242 1.00 0.00 C ATOM 0 H ILE A 151 -0.039 3.680 5.953 1.00 0.00 H new ATOM 0 HA ILE A 151 -0.147 1.644 7.861 1.00 0.00 H new ATOM 0 HB ILE A 151 -2.251 2.781 5.983 1.00 0.00 H new ATOM 0 HG12 ILE A 151 -2.700 3.473 8.698 1.00 0.00 H new ATOM 0 HG13 ILE A 151 -0.979 3.678 8.440 1.00 0.00 H new ATOM 0 HG21 ILE A 151 -3.933 1.838 7.505 1.00 0.00 H new ATOM 0 HG22 ILE A 151 -2.962 0.570 6.720 1.00 0.00 H new ATOM 0 HG23 ILE A 151 -2.643 1.014 8.413 1.00 0.00 H new ATOM 0 HD11 ILE A 151 -2.188 5.750 7.977 1.00 0.00 H new ATOM 0 HD12 ILE A 151 -1.429 5.123 6.494 1.00 0.00 H new ATOM 0 HD13 ILE A 151 -3.177 4.914 6.756 1.00 0.00 H new ATOM 436 N HIS A 152 -1.198 0.589 4.897 1.00 0.00 N ATOM 437 CA HIS A 152 -1.314 -0.591 4.047 1.00 0.00 C ATOM 438 C HIS A 152 0.061 -1.160 3.703 1.00 0.00 C ATOM 439 O HIS A 152 0.189 -2.340 3.378 1.00 0.00 O ATOM 440 CB HIS A 152 -2.076 -0.251 2.766 1.00 0.00 C ATOM 441 CG HIS A 152 -3.507 0.117 3.003 1.00 0.00 C ATOM 442 ND1 HIS A 152 -3.985 1.404 2.874 1.00 0.00 N ATOM 443 CD2 HIS A 152 -4.571 -0.639 3.366 1.00 0.00 C ATOM 444 CE1 HIS A 152 -5.276 1.425 3.148 1.00 0.00 C ATOM 445 NE2 HIS A 152 -5.657 0.197 3.450 1.00 0.00 N ATOM 0 H HIS A 152 -1.634 1.428 4.514 1.00 0.00 H new ATOM 0 HA HIS A 152 -1.868 -1.349 4.600 1.00 0.00 H new ATOM 0 HB2 HIS A 152 -1.575 0.576 2.263 1.00 0.00 H new ATOM 0 HB3 HIS A 152 -2.036 -1.106 2.091 1.00 0.00 H new ATOM 0 HD2 HIS A 152 -4.566 -1.702 3.554 1.00 0.00 H new ATOM 0 HE1 HIS A 152 -5.912 2.297 3.129 1.00 0.00 H new ATOM 0 HE2 HIS A 152 -6.604 -0.085 3.704 1.00 0.00 H new ATOM 452 N SER A 153 1.087 -0.315 3.778 1.00 0.00 N ATOM 453 CA SER A 153 2.449 -0.740 3.475 1.00 0.00 C ATOM 454 C SER A 153 2.858 -1.927 4.344 1.00 0.00 C ATOM 455 O SER A 153 3.718 -2.721 3.964 1.00 0.00 O ATOM 456 CB SER A 153 3.426 0.420 3.684 1.00 0.00 C ATOM 457 OG SER A 153 3.723 1.064 2.457 1.00 0.00 O ATOM 0 H SER A 153 1.000 0.665 4.045 1.00 0.00 H new ATOM 0 HA SER A 153 2.481 -1.051 2.431 1.00 0.00 H new ATOM 0 HB2 SER A 153 2.997 1.140 4.381 1.00 0.00 H new ATOM 0 HB3 SER A 153 4.346 0.048 4.135 1.00 0.00 H new ATOM 0 HG SER A 153 2.966 1.627 2.192 1.00 0.00 H new ATOM 463 N LYS A 154 2.235 -2.041 5.512 1.00 0.00 N ATOM 464 CA LYS A 154 2.530 -3.132 6.434 1.00 0.00 C ATOM 465 C LYS A 154 1.284 -3.526 7.222 1.00 0.00 C ATOM 466 O LYS A 154 1.374 -3.965 8.367 1.00 0.00 O ATOM 467 CB LYS A 154 3.650 -2.726 7.395 1.00 0.00 C ATOM 468 CG LYS A 154 5.033 -3.160 6.932 1.00 0.00 C ATOM 469 CD LYS A 154 5.906 -3.577 8.105 1.00 0.00 C ATOM 470 CE LYS A 154 7.385 -3.471 7.765 1.00 0.00 C ATOM 471 NZ LYS A 154 7.988 -4.802 7.479 1.00 0.00 N ATOM 0 H LYS A 154 1.522 -1.391 5.843 1.00 0.00 H new ATOM 0 HA LYS A 154 2.857 -3.993 5.850 1.00 0.00 H new ATOM 0 HB2 LYS A 154 3.639 -1.643 7.516 1.00 0.00 H new ATOM 0 HB3 LYS A 154 3.451 -3.158 8.376 1.00 0.00 H new ATOM 0 HG2 LYS A 154 4.940 -3.991 6.233 1.00 0.00 H new ATOM 0 HG3 LYS A 154 5.511 -2.342 6.393 1.00 0.00 H new ATOM 0 HD2 LYS A 154 5.684 -2.948 8.967 1.00 0.00 H new ATOM 0 HD3 LYS A 154 5.670 -4.602 8.389 1.00 0.00 H new ATOM 0 HE2 LYS A 154 7.512 -2.822 6.899 1.00 0.00 H new ATOM 0 HE3 LYS A 154 7.915 -3.003 8.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 8.996 -4.685 7.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 7.890 -5.414 8.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 7.500 -5.238 6.671 1.00 0.00 H new ATOM 485 N ALA A 155 0.122 -3.365 6.598 1.00 0.00 N ATOM 486 CA ALA A 155 -1.143 -3.704 7.237 1.00 0.00 C ATOM 487 C ALA A 155 -1.460 -5.188 7.083 1.00 0.00 C ATOM 488 O ALA A 155 -0.636 -5.961 6.594 1.00 0.00 O ATOM 489 CB ALA A 155 -2.269 -2.860 6.657 1.00 0.00 C ATOM 0 H ALA A 155 0.031 -3.001 5.649 1.00 0.00 H new ATOM 0 HA ALA A 155 -1.051 -3.489 8.302 1.00 0.00 H new ATOM 0 HB1 ALA A 155 -3.208 -3.123 7.143 1.00 0.00 H new ATOM 0 HB2 ALA A 155 -2.056 -1.804 6.826 1.00 0.00 H new ATOM 0 HB3 ALA A 155 -2.350 -3.047 5.586 1.00 0.00 H new ATOM 495 N THR A 156 -2.659 -5.578 7.505 1.00 0.00 N ATOM 496 CA THR A 156 -3.085 -6.970 7.413 1.00 0.00 C ATOM 497 C THR A 156 -3.876 -7.220 6.135 1.00 0.00 C ATOM 498 O THR A 156 -3.546 -8.113 5.354 1.00 0.00 O ATOM 499 CB THR A 156 -3.947 -7.372 8.625 1.00 0.00 C ATOM 500 OG1 THR A 156 -3.585 -6.587 9.767 1.00 0.00 O ATOM 501 CG2 THR A 156 -3.773 -8.850 8.944 1.00 0.00 C ATOM 0 H THR A 156 -3.352 -4.951 7.913 1.00 0.00 H new ATOM 0 HA THR A 156 -2.181 -7.578 7.400 1.00 0.00 H new ATOM 0 HB THR A 156 -4.992 -7.189 8.377 1.00 0.00 H new ATOM 0 HG1 THR A 156 -4.139 -6.848 10.532 1.00 0.00 H new ATOM 0 HG21 THR A 156 -4.391 -9.112 9.803 1.00 0.00 H new ATOM 0 HG22 THR A 156 -4.077 -9.446 8.083 1.00 0.00 H new ATOM 0 HG23 THR A 156 -2.727 -9.052 9.174 1.00 0.00 H new ATOM 509 N THR A 157 -4.921 -6.427 5.925 1.00 0.00 N ATOM 510 CA THR A 157 -5.759 -6.564 4.739 1.00 0.00 C ATOM 511 C THR A 157 -6.080 -5.203 4.131 1.00 0.00 C ATOM 512 O THR A 157 -6.664 -4.340 4.788 1.00 0.00 O ATOM 513 CB THR A 157 -7.077 -7.292 5.062 1.00 0.00 C ATOM 514 OG1 THR A 157 -7.566 -6.877 6.345 1.00 0.00 O ATOM 515 CG2 THR A 157 -6.878 -8.799 5.056 1.00 0.00 C ATOM 0 H THR A 157 -5.208 -5.683 6.560 1.00 0.00 H new ATOM 0 HA THR A 157 -5.192 -7.156 4.020 1.00 0.00 H new ATOM 0 HB THR A 157 -7.806 -7.033 4.294 1.00 0.00 H new ATOM 0 HG1 THR A 157 -8.405 -7.343 6.542 1.00 0.00 H new ATOM 0 HG21 THR A 157 -7.823 -9.292 5.287 1.00 0.00 H new ATOM 0 HG22 THR A 157 -6.534 -9.117 4.072 1.00 0.00 H new ATOM 0 HG23 THR A 157 -6.135 -9.071 5.805 1.00 0.00 H new ATOM 523 N ALA A 158 -5.696 -5.017 2.873 1.00 0.00 N ATOM 524 CA ALA A 158 -5.943 -3.761 2.176 1.00 0.00 C ATOM 525 C ALA A 158 -7.130 -3.885 1.226 1.00 0.00 C ATOM 526 O ALA A 158 -7.858 -4.878 1.254 1.00 0.00 O ATOM 527 CB ALA A 158 -4.700 -3.326 1.415 1.00 0.00 C ATOM 0 H ALA A 158 -5.212 -5.721 2.315 1.00 0.00 H new ATOM 0 HA ALA A 158 -6.184 -3.002 2.921 1.00 0.00 H new ATOM 0 HB1 ALA A 158 -4.899 -2.387 0.899 1.00 0.00 H new ATOM 0 HB2 ALA A 158 -3.875 -3.188 2.114 1.00 0.00 H new ATOM 0 HB3 ALA A 158 -4.434 -4.091 0.686 1.00 0.00 H new ATOM 533 N LEU A 159 -7.318 -2.874 0.384 1.00 0.00 N ATOM 534 CA LEU A 159 -8.418 -2.873 -0.573 1.00 0.00 C ATOM 535 C LEU A 159 -8.065 -2.046 -1.807 1.00 0.00 C ATOM 536 O LEU A 159 -8.264 -0.833 -1.831 1.00 0.00 O ATOM 537 CB LEU A 159 -9.689 -2.322 0.078 1.00 0.00 C ATOM 538 CG LEU A 159 -10.997 -2.791 -0.558 1.00 0.00 C ATOM 539 CD1 LEU A 159 -11.028 -2.438 -2.037 1.00 0.00 C ATOM 540 CD2 LEU A 159 -11.178 -4.288 -0.362 1.00 0.00 C ATOM 0 H LEU A 159 -6.724 -2.046 0.345 1.00 0.00 H new ATOM 0 HA LEU A 159 -8.595 -3.902 -0.885 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -9.692 -2.606 1.130 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -9.655 -1.233 0.042 1.00 0.00 H new ATOM 0 HG LEU A 159 -11.823 -2.278 -0.065 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -11.967 -2.780 -2.473 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -10.945 -1.358 -2.155 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -10.194 -2.923 -2.544 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -12.115 -4.604 -0.821 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -10.348 -4.819 -0.828 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -11.202 -4.515 0.704 1.00 0.00 H new ATOM 552 N VAL A 160 -7.543 -2.716 -2.831 1.00 0.00 N ATOM 553 CA VAL A 160 -7.165 -2.045 -4.067 1.00 0.00 C ATOM 554 C VAL A 160 -7.729 -2.776 -5.281 1.00 0.00 C ATOM 555 O VAL A 160 -7.483 -3.966 -5.471 1.00 0.00 O ATOM 556 CB VAL A 160 -5.634 -1.943 -4.210 1.00 0.00 C ATOM 557 CG1 VAL A 160 -5.264 -1.097 -5.419 1.00 0.00 C ATOM 558 CG2 VAL A 160 -5.015 -1.374 -2.941 1.00 0.00 C ATOM 0 H VAL A 160 -7.373 -3.722 -2.827 1.00 0.00 H new ATOM 0 HA VAL A 160 -7.584 -1.040 -4.021 1.00 0.00 H new ATOM 0 HB VAL A 160 -5.235 -2.946 -4.363 1.00 0.00 H new ATOM 0 HG11 VAL A 160 -4.179 -1.037 -5.503 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -5.673 -1.553 -6.321 1.00 0.00 H new ATOM 0 HG13 VAL A 160 -5.675 -0.094 -5.301 1.00 0.00 H new ATOM 0 HG21 VAL A 160 -3.934 -1.310 -3.061 1.00 0.00 H new ATOM 0 HG22 VAL A 160 -5.419 -0.379 -2.753 1.00 0.00 H new ATOM 0 HG23 VAL A 160 -5.248 -2.025 -2.099 1.00 0.00 H new ATOM 568 N GLY A 161 -8.489 -2.054 -6.101 1.00 0.00 N ATOM 569 CA GLY A 161 -9.075 -2.652 -7.286 1.00 0.00 C ATOM 570 C GLY A 161 -10.197 -3.615 -6.954 1.00 0.00 C ATOM 571 O GLY A 161 -10.452 -4.562 -7.698 1.00 0.00 O ATOM 0 H GLY A 161 -8.708 -1.067 -5.965 1.00 0.00 H new ATOM 0 HA2 GLY A 161 -9.456 -1.865 -7.936 1.00 0.00 H new ATOM 0 HA3 GLY A 161 -8.301 -3.179 -7.844 1.00 0.00 H new ATOM 575 N GLY A 162 -10.871 -3.375 -5.834 1.00 0.00 N ATOM 576 CA GLY A 162 -11.964 -4.236 -5.424 1.00 0.00 C ATOM 577 C GLY A 162 -11.491 -5.611 -4.997 1.00 0.00 C ATOM 578 O GLY A 162 -12.237 -6.587 -5.081 1.00 0.00 O ATOM 0 H GLY A 162 -10.679 -2.598 -5.202 1.00 0.00 H new ATOM 0 HA2 GLY A 162 -12.501 -3.768 -4.599 1.00 0.00 H new ATOM 0 HA3 GLY A 162 -12.671 -4.338 -6.248 1.00 0.00 H new ATOM 582 N ILE A 163 -10.247 -5.691 -4.534 1.00 0.00 N ATOM 583 CA ILE A 163 -9.676 -6.958 -4.090 1.00 0.00 C ATOM 584 C ILE A 163 -8.664 -6.739 -2.971 1.00 0.00 C ATOM 585 O ILE A 163 -7.838 -5.827 -3.036 1.00 0.00 O ATOM 586 CB ILE A 163 -8.988 -7.703 -5.250 1.00 0.00 C ATOM 587 CG1 ILE A 163 -9.907 -7.749 -6.473 1.00 0.00 C ATOM 588 CG2 ILE A 163 -8.597 -9.107 -4.818 1.00 0.00 C ATOM 589 CD1 ILE A 163 -9.293 -8.453 -7.664 1.00 0.00 C ATOM 0 H ILE A 163 -9.616 -4.894 -4.457 1.00 0.00 H new ATOM 0 HA ILE A 163 -10.502 -7.565 -3.719 1.00 0.00 H new ATOM 0 HB ILE A 163 -8.081 -7.163 -5.523 1.00 0.00 H new ATOM 0 HG12 ILE A 163 -10.835 -8.253 -6.202 1.00 0.00 H new ATOM 0 HG13 ILE A 163 -10.169 -6.730 -6.759 1.00 0.00 H new ATOM 0 HG21 ILE A 163 -8.112 -9.621 -5.648 1.00 0.00 H new ATOM 0 HG22 ILE A 163 -7.909 -9.050 -3.975 1.00 0.00 H new ATOM 0 HG23 ILE A 163 -9.489 -9.658 -4.521 1.00 0.00 H new ATOM 0 HD11 ILE A 163 -10.000 -8.448 -8.494 1.00 0.00 H new ATOM 0 HD12 ILE A 163 -8.380 -7.936 -7.961 1.00 0.00 H new ATOM 0 HD13 ILE A 163 -9.056 -9.483 -7.396 1.00 0.00 H new ATOM 601 N MET A 164 -8.730 -7.583 -1.946 1.00 0.00 N ATOM 602 CA MET A 164 -7.819 -7.481 -0.812 1.00 0.00 C ATOM 603 C MET A 164 -6.395 -7.839 -1.225 1.00 0.00 C ATOM 604 O MET A 164 -6.179 -8.517 -2.231 1.00 0.00 O ATOM 605 CB MET A 164 -8.279 -8.399 0.322 1.00 0.00 C ATOM 606 CG MET A 164 -9.676 -8.083 0.831 1.00 0.00 C ATOM 607 SD MET A 164 -9.783 -8.099 2.632 1.00 0.00 S ATOM 608 CE MET A 164 -10.425 -6.457 2.947 1.00 0.00 C ATOM 0 H MET A 164 -9.405 -8.345 -1.878 1.00 0.00 H new ATOM 0 HA MET A 164 -7.828 -6.449 -0.462 1.00 0.00 H new ATOM 0 HB2 MET A 164 -8.253 -9.432 -0.024 1.00 0.00 H new ATOM 0 HB3 MET A 164 -7.574 -8.322 1.149 1.00 0.00 H new ATOM 0 HG2 MET A 164 -9.979 -7.103 0.462 1.00 0.00 H new ATOM 0 HG3 MET A 164 -10.379 -8.809 0.423 1.00 0.00 H new ATOM 0 HE1 MET A 164 -10.811 -6.407 3.965 1.00 0.00 H new ATOM 0 HE2 MET A 164 -9.627 -5.725 2.825 1.00 0.00 H new ATOM 0 HE3 MET A 164 -11.228 -6.239 2.243 1.00 0.00 H new ATOM 618 N GLN A 165 -5.424 -7.378 -0.442 1.00 0.00 N ATOM 619 CA GLN A 165 -4.019 -7.648 -0.728 1.00 0.00 C ATOM 620 C GLN A 165 -3.133 -7.216 0.436 1.00 0.00 C ATOM 621 O GLN A 165 -3.625 -6.750 1.464 1.00 0.00 O ATOM 622 CB GLN A 165 -3.591 -6.928 -2.006 1.00 0.00 C ATOM 623 CG GLN A 165 -3.911 -5.441 -2.003 1.00 0.00 C ATOM 624 CD GLN A 165 -3.992 -4.860 -3.400 1.00 0.00 C ATOM 625 OE1 GLN A 165 -4.876 -5.417 -4.221 1.00 0.00 O flip ATOM 626 NE2 GLN A 165 -3.270 -3.923 -3.738 1.00 0.00 N flip ATOM 0 H GLN A 165 -5.584 -6.816 0.394 1.00 0.00 H new ATOM 0 HA GLN A 165 -3.902 -8.723 -0.868 1.00 0.00 H new ATOM 0 HB2 GLN A 165 -2.518 -7.060 -2.146 1.00 0.00 H new ATOM 0 HB3 GLN A 165 -4.083 -7.395 -2.859 1.00 0.00 H new ATOM 0 HG2 GLN A 165 -4.859 -5.278 -1.490 1.00 0.00 H new ATOM 0 HG3 GLN A 165 -3.146 -4.910 -1.436 1.00 0.00 H new ATOM 0 HE21 GLN A 165 -2.605 -3.526 -3.074 1.00 0.00 H new ATOM 0 HE22 GLN A 165 -3.336 -3.543 -4.682 1.00 0.00 H new ATOM 635 N ARG A 166 -1.825 -7.374 0.266 1.00 0.00 N ATOM 636 CA ARG A 166 -0.869 -7.001 1.303 1.00 0.00 C ATOM 637 C ARG A 166 0.445 -6.531 0.687 1.00 0.00 C ATOM 638 O ARG A 166 0.949 -7.136 -0.261 1.00 0.00 O ATOM 639 CB ARG A 166 -0.615 -8.183 2.242 1.00 0.00 C ATOM 640 CG ARG A 166 -0.526 -7.787 3.706 1.00 0.00 C ATOM 641 CD ARG A 166 0.874 -7.320 4.072 1.00 0.00 C ATOM 642 NE ARG A 166 1.853 -8.400 3.976 1.00 0.00 N ATOM 643 CZ ARG A 166 3.048 -8.372 4.562 1.00 0.00 C ATOM 644 NH1 ARG A 166 3.414 -7.323 5.288 1.00 0.00 N ATOM 645 NH2 ARG A 166 3.879 -9.396 4.423 1.00 0.00 N ATOM 0 H ARG A 166 -1.402 -7.758 -0.579 1.00 0.00 H new ATOM 0 HA ARG A 166 -1.295 -6.178 1.876 1.00 0.00 H new ATOM 0 HB2 ARG A 166 -1.416 -8.912 2.119 1.00 0.00 H new ATOM 0 HB3 ARG A 166 0.313 -8.676 1.950 1.00 0.00 H new ATOM 0 HG2 ARG A 166 -1.242 -6.992 3.913 1.00 0.00 H new ATOM 0 HG3 ARG A 166 -0.803 -8.636 4.331 1.00 0.00 H new ATOM 0 HD2 ARG A 166 1.168 -6.504 3.412 1.00 0.00 H new ATOM 0 HD3 ARG A 166 0.870 -6.923 5.087 1.00 0.00 H new ATOM 0 HE ARG A 166 1.606 -9.224 3.428 1.00 0.00 H new ATOM 0 HH11 ARG A 166 2.778 -6.533 5.399 1.00 0.00 H new ATOM 0 HH12 ARG A 166 4.331 -7.307 5.735 1.00 0.00 H new ATOM 0 HH21 ARG A 166 3.603 -10.205 3.867 1.00 0.00 H new ATOM 0 HH22 ARG A 166 4.795 -9.374 4.872 1.00 0.00 H new ATOM 659 N PHE A 167 0.995 -5.451 1.229 1.00 0.00 N ATOM 660 CA PHE A 167 2.251 -4.899 0.732 1.00 0.00 C ATOM 661 C PHE A 167 3.435 -5.748 1.185 1.00 0.00 C ATOM 662 O PHE A 167 3.407 -6.346 2.261 1.00 0.00 O ATOM 663 CB PHE A 167 2.425 -3.458 1.217 1.00 0.00 C ATOM 664 CG PHE A 167 3.695 -2.811 0.740 1.00 0.00 C ATOM 665 CD1 PHE A 167 4.913 -3.144 1.310 1.00 0.00 C ATOM 666 CD2 PHE A 167 3.668 -1.870 -0.278 1.00 0.00 C ATOM 667 CE1 PHE A 167 6.082 -2.550 0.874 1.00 0.00 C ATOM 668 CE2 PHE A 167 4.835 -1.274 -0.718 1.00 0.00 C ATOM 669 CZ PHE A 167 6.043 -1.614 -0.141 1.00 0.00 C ATOM 0 H PHE A 167 0.591 -4.939 2.013 1.00 0.00 H new ATOM 0 HA PHE A 167 2.218 -4.907 -0.357 1.00 0.00 H new ATOM 0 HB2 PHE A 167 1.576 -2.865 0.878 1.00 0.00 H new ATOM 0 HB3 PHE A 167 2.408 -3.446 2.307 1.00 0.00 H new ATOM 0 HD1 PHE A 167 4.949 -3.876 2.104 1.00 0.00 H new ATOM 0 HD2 PHE A 167 2.726 -1.600 -0.732 1.00 0.00 H new ATOM 0 HE1 PHE A 167 7.025 -2.817 1.327 1.00 0.00 H new ATOM 0 HE2 PHE A 167 4.802 -0.543 -1.512 1.00 0.00 H new ATOM 0 HZ PHE A 167 6.956 -1.149 -0.483 1.00 0.00 H new ATOM 679 N CYS A 168 4.472 -5.796 0.357 1.00 0.00 N ATOM 680 CA CYS A 168 5.667 -6.570 0.672 1.00 0.00 C ATOM 681 C CYS A 168 6.928 -5.746 0.430 1.00 0.00 C ATOM 682 O CYS A 168 6.987 -4.940 -0.499 1.00 0.00 O ATOM 683 CB CYS A 168 5.709 -7.846 -0.171 1.00 0.00 C ATOM 684 SG CYS A 168 6.664 -9.190 0.571 1.00 0.00 S ATOM 0 H CYS A 168 4.510 -5.308 -0.538 1.00 0.00 H new ATOM 0 HA CYS A 168 5.628 -6.840 1.727 1.00 0.00 H new ATOM 0 HB2 CYS A 168 4.689 -8.190 -0.341 1.00 0.00 H new ATOM 0 HB3 CYS A 168 6.132 -7.610 -1.147 1.00 0.00 H new ATOM 0 HG CYS A 168 6.639 -10.226 -0.215 1.00 0.00 H new ATOM 690 N GLN A 169 7.935 -5.955 1.272 1.00 0.00 N ATOM 691 CA GLN A 169 9.194 -5.230 1.149 1.00 0.00 C ATOM 692 C GLN A 169 10.132 -5.928 0.169 1.00 0.00 C ATOM 693 O GLN A 169 10.865 -5.278 -0.575 1.00 0.00 O ATOM 694 CB GLN A 169 9.871 -5.104 2.516 1.00 0.00 C ATOM 695 CG GLN A 169 9.471 -3.851 3.278 1.00 0.00 C ATOM 696 CD GLN A 169 10.542 -3.394 4.250 1.00 0.00 C ATOM 697 OE1 GLN A 169 11.722 -3.701 4.081 1.00 0.00 O ATOM 698 NE2 GLN A 169 10.134 -2.657 5.276 1.00 0.00 N ATOM 0 H GLN A 169 7.904 -6.619 2.045 1.00 0.00 H new ATOM 0 HA GLN A 169 8.973 -4.234 0.766 1.00 0.00 H new ATOM 0 HB2 GLN A 169 9.624 -5.979 3.117 1.00 0.00 H new ATOM 0 HB3 GLN A 169 10.952 -5.106 2.379 1.00 0.00 H new ATOM 0 HG2 GLN A 169 9.263 -3.050 2.569 1.00 0.00 H new ATOM 0 HG3 GLN A 169 8.547 -4.041 3.824 1.00 0.00 H new ATOM 0 HE21 GLN A 169 9.146 -2.426 5.377 1.00 0.00 H new ATOM 0 HE22 GLN A 169 10.809 -2.321 5.963 1.00 0.00 H new ATOM 707 N GLN A 170 10.101 -7.257 0.173 1.00 0.00 N ATOM 708 CA GLN A 170 10.947 -8.043 -0.717 1.00 0.00 C ATOM 709 C GLN A 170 10.418 -8.003 -2.147 1.00 0.00 C ATOM 710 O GLN A 170 11.181 -7.831 -3.098 1.00 0.00 O ATOM 711 CB GLN A 170 11.025 -9.492 -0.233 1.00 0.00 C ATOM 712 CG GLN A 170 11.372 -9.623 1.242 1.00 0.00 C ATOM 713 CD GLN A 170 12.861 -9.515 1.502 1.00 0.00 C ATOM 714 OE1 GLN A 170 13.329 -8.559 2.120 1.00 0.00 O ATOM 715 NE2 GLN A 170 13.617 -10.500 1.031 1.00 0.00 N ATOM 0 H GLN A 170 9.500 -7.811 0.782 1.00 0.00 H new ATOM 0 HA GLN A 170 11.946 -7.607 -0.705 1.00 0.00 H new ATOM 0 HB2 GLN A 170 10.068 -9.980 -0.417 1.00 0.00 H new ATOM 0 HB3 GLN A 170 11.772 -10.023 -0.822 1.00 0.00 H new ATOM 0 HG2 GLN A 170 10.852 -8.848 1.804 1.00 0.00 H new ATOM 0 HG3 GLN A 170 11.011 -10.582 1.613 1.00 0.00 H new ATOM 0 HE21 GLN A 170 13.188 -11.274 0.524 1.00 0.00 H new ATOM 0 HE22 GLN A 170 14.626 -10.482 1.176 1.00 0.00 H new ATOM 724 N CYS A 171 9.106 -8.159 -2.292 1.00 0.00 N ATOM 725 CA CYS A 171 8.474 -8.140 -3.606 1.00 0.00 C ATOM 726 C CYS A 171 8.157 -6.712 -4.041 1.00 0.00 C ATOM 727 O CYS A 171 8.091 -6.416 -5.233 1.00 0.00 O ATOM 728 CB CYS A 171 7.192 -8.975 -3.590 1.00 0.00 C ATOM 729 SG CYS A 171 7.464 -10.748 -3.830 1.00 0.00 S ATOM 0 H CYS A 171 8.460 -8.300 -1.515 1.00 0.00 H new ATOM 0 HA CYS A 171 9.174 -8.571 -4.322 1.00 0.00 H new ATOM 0 HB2 CYS A 171 6.683 -8.822 -2.639 1.00 0.00 H new ATOM 0 HB3 CYS A 171 6.524 -8.611 -4.371 1.00 0.00 H new ATOM 0 HG CYS A 171 6.323 -11.370 -3.799 1.00 0.00 H new ATOM 735 N SER A 172 7.959 -5.830 -3.064 1.00 0.00 N ATOM 736 CA SER A 172 7.649 -4.432 -3.348 1.00 0.00 C ATOM 737 C SER A 172 6.313 -4.311 -4.075 1.00 0.00 C ATOM 738 O SER A 172 5.835 -5.271 -4.680 1.00 0.00 O ATOM 739 CB SER A 172 8.761 -3.797 -4.184 1.00 0.00 C ATOM 740 OG SER A 172 9.713 -3.147 -3.360 1.00 0.00 O ATOM 0 H SER A 172 8.008 -6.058 -2.071 1.00 0.00 H new ATOM 0 HA SER A 172 7.576 -3.901 -2.399 1.00 0.00 H new ATOM 0 HB2 SER A 172 9.255 -4.564 -4.780 1.00 0.00 H new ATOM 0 HB3 SER A 172 8.330 -3.080 -4.882 1.00 0.00 H new ATOM 0 HG SER A 172 9.594 -2.176 -3.425 1.00 0.00 H new ATOM 746 N ARG A 173 5.717 -3.124 -4.012 1.00 0.00 N ATOM 747 CA ARG A 173 4.436 -2.877 -4.665 1.00 0.00 C ATOM 748 C ARG A 173 3.352 -3.786 -4.095 1.00 0.00 C ATOM 749 O ARG A 173 3.646 -4.812 -3.483 1.00 0.00 O ATOM 750 CB ARG A 173 4.557 -3.092 -6.175 1.00 0.00 C ATOM 751 CG ARG A 173 5.459 -2.079 -6.863 1.00 0.00 C ATOM 752 CD ARG A 173 5.340 -2.165 -8.375 1.00 0.00 C ATOM 753 NE ARG A 173 5.444 -3.540 -8.856 1.00 0.00 N ATOM 754 CZ ARG A 173 6.590 -4.217 -8.923 1.00 0.00 C ATOM 755 NH1 ARG A 173 7.728 -3.649 -8.542 1.00 0.00 N ATOM 756 NH2 ARG A 173 6.597 -5.464 -9.373 1.00 0.00 N ATOM 0 H ARG A 173 6.100 -2.319 -3.516 1.00 0.00 H new ATOM 0 HA ARG A 173 4.154 -1.841 -4.476 1.00 0.00 H new ATOM 0 HB2 ARG A 173 4.942 -4.095 -6.361 1.00 0.00 H new ATOM 0 HB3 ARG A 173 3.564 -3.044 -6.621 1.00 0.00 H new ATOM 0 HG2 ARG A 173 5.197 -1.074 -6.533 1.00 0.00 H new ATOM 0 HG3 ARG A 173 6.494 -2.252 -6.568 1.00 0.00 H new ATOM 0 HD2 ARG A 173 4.385 -1.743 -8.688 1.00 0.00 H new ATOM 0 HD3 ARG A 173 6.122 -1.560 -8.835 1.00 0.00 H new ATOM 0 HE ARG A 173 4.590 -4.009 -9.158 1.00 0.00 H new ATOM 0 HH11 ARG A 173 7.728 -2.690 -8.196 1.00 0.00 H new ATOM 0 HH12 ARG A 173 8.602 -4.172 -8.596 1.00 0.00 H new ATOM 0 HH21 ARG A 173 5.726 -5.905 -9.668 1.00 0.00 H new ATOM 0 HH22 ARG A 173 7.474 -5.983 -9.425 1.00 0.00 H new ATOM 770 N PHE A 174 2.096 -3.402 -4.301 1.00 0.00 N ATOM 771 CA PHE A 174 0.967 -4.182 -3.808 1.00 0.00 C ATOM 772 C PHE A 174 0.948 -5.571 -4.440 1.00 0.00 C ATOM 773 O PHE A 174 1.389 -5.754 -5.574 1.00 0.00 O ATOM 774 CB PHE A 174 -0.347 -3.457 -4.097 1.00 0.00 C ATOM 775 CG PHE A 174 -0.818 -2.593 -2.962 1.00 0.00 C ATOM 776 CD1 PHE A 174 -1.154 -3.155 -1.741 1.00 0.00 C ATOM 777 CD2 PHE A 174 -0.924 -1.221 -3.117 1.00 0.00 C ATOM 778 CE1 PHE A 174 -1.588 -2.364 -0.695 1.00 0.00 C ATOM 779 CE2 PHE A 174 -1.358 -0.424 -2.074 1.00 0.00 C ATOM 780 CZ PHE A 174 -1.690 -0.996 -0.861 1.00 0.00 C ATOM 0 H PHE A 174 1.835 -2.555 -4.806 1.00 0.00 H new ATOM 0 HA PHE A 174 1.079 -4.296 -2.730 1.00 0.00 H new ATOM 0 HB2 PHE A 174 -0.224 -2.839 -4.986 1.00 0.00 H new ATOM 0 HB3 PHE A 174 -1.117 -4.194 -4.325 1.00 0.00 H new ATOM 0 HD1 PHE A 174 -1.076 -4.224 -1.605 1.00 0.00 H new ATOM 0 HD2 PHE A 174 -0.665 -0.769 -4.063 1.00 0.00 H new ATOM 0 HE1 PHE A 174 -1.847 -2.814 0.252 1.00 0.00 H new ATOM 0 HE2 PHE A 174 -1.437 0.645 -2.207 1.00 0.00 H new ATOM 0 HZ PHE A 174 -2.028 -0.375 -0.044 1.00 0.00 H new ATOM 790 N HIS A 175 0.431 -6.545 -3.696 1.00 0.00 N ATOM 791 CA HIS A 175 0.353 -7.918 -4.183 1.00 0.00 C ATOM 792 C HIS A 175 -0.869 -8.629 -3.610 1.00 0.00 C ATOM 793 O HIS A 175 -1.049 -8.691 -2.394 1.00 0.00 O ATOM 794 CB HIS A 175 1.623 -8.686 -3.814 1.00 0.00 C ATOM 795 CG HIS A 175 2.765 -8.440 -4.749 1.00 0.00 C ATOM 796 ND1 HIS A 175 2.620 -8.402 -6.120 1.00 0.00 N ATOM 797 CD2 HIS A 175 4.079 -8.218 -4.506 1.00 0.00 C ATOM 798 CE1 HIS A 175 3.795 -8.169 -6.679 1.00 0.00 C ATOM 799 NE2 HIS A 175 4.695 -8.051 -5.721 1.00 0.00 N ATOM 0 H HIS A 175 0.061 -6.409 -2.755 1.00 0.00 H new ATOM 0 HA HIS A 175 0.258 -7.887 -5.268 1.00 0.00 H new ATOM 0 HB2 HIS A 175 1.925 -8.408 -2.804 1.00 0.00 H new ATOM 0 HB3 HIS A 175 1.401 -9.753 -3.798 1.00 0.00 H new ATOM 0 HD1 HIS A 175 1.743 -8.533 -6.624 1.00 0.00 H new ATOM 0 HD2 HIS A 175 4.554 -8.180 -3.537 1.00 0.00 H new ATOM 0 HE1 HIS A 175 3.986 -8.089 -7.739 1.00 0.00 H new ATOM 807 N VAL A 176 -1.705 -9.165 -4.494 1.00 0.00 N ATOM 808 CA VAL A 176 -2.911 -9.871 -4.077 1.00 0.00 C ATOM 809 C VAL A 176 -2.584 -10.994 -3.095 1.00 0.00 C ATOM 810 O VAL A 176 -1.487 -11.550 -3.117 1.00 0.00 O ATOM 811 CB VAL A 176 -3.665 -10.459 -5.288 1.00 0.00 C ATOM 812 CG1 VAL A 176 -2.799 -11.474 -6.018 1.00 0.00 C ATOM 813 CG2 VAL A 176 -4.980 -11.085 -4.848 1.00 0.00 C ATOM 0 H VAL A 176 -1.569 -9.124 -5.504 1.00 0.00 H new ATOM 0 HA VAL A 176 -3.550 -9.140 -3.582 1.00 0.00 H new ATOM 0 HB VAL A 176 -3.890 -9.647 -5.979 1.00 0.00 H new ATOM 0 HG11 VAL A 176 -3.349 -11.877 -6.869 1.00 0.00 H new ATOM 0 HG12 VAL A 176 -1.889 -10.989 -6.371 1.00 0.00 H new ATOM 0 HG13 VAL A 176 -2.537 -12.285 -5.338 1.00 0.00 H new ATOM 0 HG21 VAL A 176 -5.497 -11.494 -5.716 1.00 0.00 H new ATOM 0 HG22 VAL A 176 -4.782 -11.884 -4.134 1.00 0.00 H new ATOM 0 HG23 VAL A 176 -5.605 -10.326 -4.378 1.00 0.00 H new ATOM 823 N LEU A 177 -3.544 -11.322 -2.237 1.00 0.00 N ATOM 824 CA LEU A 177 -3.358 -12.377 -1.248 1.00 0.00 C ATOM 825 C LEU A 177 -3.138 -13.726 -1.925 1.00 0.00 C ATOM 826 O LEU A 177 -4.087 -14.473 -2.164 1.00 0.00 O ATOM 827 CB LEU A 177 -4.571 -12.453 -0.317 1.00 0.00 C ATOM 828 CG LEU A 177 -4.998 -11.121 0.302 1.00 0.00 C ATOM 829 CD1 LEU A 177 -6.292 -11.286 1.083 1.00 0.00 C ATOM 830 CD2 LEU A 177 -3.898 -10.575 1.200 1.00 0.00 C ATOM 0 H LEU A 177 -4.459 -10.872 -2.207 1.00 0.00 H new ATOM 0 HA LEU A 177 -2.472 -12.137 -0.661 1.00 0.00 H new ATOM 0 HB2 LEU A 177 -5.413 -12.863 -0.875 1.00 0.00 H new ATOM 0 HB3 LEU A 177 -4.349 -13.155 0.487 1.00 0.00 H new ATOM 0 HG LEU A 177 -5.172 -10.407 -0.503 1.00 0.00 H new ATOM 0 HD11 LEU A 177 -6.580 -10.328 1.516 1.00 0.00 H new ATOM 0 HD12 LEU A 177 -7.079 -11.633 0.414 1.00 0.00 H new ATOM 0 HD13 LEU A 177 -6.146 -12.015 1.880 1.00 0.00 H new ATOM 0 HD21 LEU A 177 -4.218 -9.627 1.632 1.00 0.00 H new ATOM 0 HD22 LEU A 177 -3.693 -11.288 1.999 1.00 0.00 H new ATOM 0 HD23 LEU A 177 -2.993 -10.419 0.613 1.00 0.00 H new ATOM 842 N GLU A 178 -1.881 -14.030 -2.231 1.00 0.00 N ATOM 843 CA GLU A 178 -1.538 -15.290 -2.881 1.00 0.00 C ATOM 844 C GLU A 178 -0.769 -16.201 -1.930 1.00 0.00 C ATOM 845 O GLU A 178 -0.896 -17.424 -1.986 1.00 0.00 O ATOM 846 CB GLU A 178 -0.705 -15.029 -4.139 1.00 0.00 C ATOM 847 CG GLU A 178 -1.499 -14.401 -5.272 1.00 0.00 C ATOM 848 CD GLU A 178 -1.190 -15.027 -6.618 1.00 0.00 C ATOM 849 OE1 GLU A 178 -0.008 -15.351 -6.865 1.00 0.00 O ATOM 850 OE2 GLU A 178 -2.128 -15.194 -7.426 1.00 0.00 O ATOM 0 H GLU A 178 -1.084 -13.423 -2.040 1.00 0.00 H new ATOM 0 HA GLU A 178 -2.465 -15.788 -3.163 1.00 0.00 H new ATOM 0 HB2 GLU A 178 0.129 -14.375 -3.884 1.00 0.00 H new ATOM 0 HB3 GLU A 178 -0.277 -15.970 -4.484 1.00 0.00 H new ATOM 0 HG2 GLU A 178 -2.564 -14.503 -5.064 1.00 0.00 H new ATOM 0 HG3 GLU A 178 -1.283 -13.333 -5.314 1.00 0.00 H new ATOM 857 N GLU A 179 0.028 -15.597 -1.054 1.00 0.00 N ATOM 858 CA GLU A 179 0.817 -16.354 -0.090 1.00 0.00 C ATOM 859 C GLU A 179 1.179 -15.490 1.115 1.00 0.00 C ATOM 860 O GLU A 179 2.231 -15.672 1.727 1.00 0.00 O ATOM 861 CB GLU A 179 2.088 -16.893 -0.749 1.00 0.00 C ATOM 862 CG GLU A 179 1.926 -18.288 -1.329 1.00 0.00 C ATOM 863 CD GLU A 179 3.231 -18.857 -1.852 1.00 0.00 C ATOM 864 OE1 GLU A 179 4.298 -18.473 -1.329 1.00 0.00 O ATOM 865 OE2 GLU A 179 3.186 -19.687 -2.784 1.00 0.00 O ATOM 0 H GLU A 179 0.144 -14.586 -0.992 1.00 0.00 H new ATOM 0 HA GLU A 179 0.214 -17.193 0.256 1.00 0.00 H new ATOM 0 HB2 GLU A 179 2.393 -16.211 -1.543 1.00 0.00 H new ATOM 0 HB3 GLU A 179 2.892 -16.905 -0.013 1.00 0.00 H new ATOM 0 HG2 GLU A 179 1.526 -18.952 -0.563 1.00 0.00 H new ATOM 0 HG3 GLU A 179 1.196 -18.259 -2.138 1.00 0.00 H new ATOM 872 N PHE A 180 0.300 -14.552 1.449 1.00 0.00 N ATOM 873 CA PHE A 180 0.525 -13.660 2.581 1.00 0.00 C ATOM 874 C PHE A 180 -0.346 -14.059 3.767 1.00 0.00 C ATOM 875 O PHE A 180 -1.570 -13.941 3.719 1.00 0.00 O ATOM 876 CB PHE A 180 0.232 -12.213 2.183 1.00 0.00 C ATOM 877 CG PHE A 180 1.230 -11.639 1.220 1.00 0.00 C ATOM 878 CD1 PHE A 180 2.527 -11.365 1.624 1.00 0.00 C ATOM 879 CD2 PHE A 180 0.872 -11.373 -0.094 1.00 0.00 C ATOM 880 CE1 PHE A 180 3.448 -10.836 0.738 1.00 0.00 C ATOM 881 CE2 PHE A 180 1.788 -10.845 -0.983 1.00 0.00 C ATOM 882 CZ PHE A 180 3.077 -10.576 -0.567 1.00 0.00 C ATOM 0 H PHE A 180 -0.576 -14.389 0.952 1.00 0.00 H new ATOM 0 HA PHE A 180 1.571 -13.743 2.876 1.00 0.00 H new ATOM 0 HB2 PHE A 180 -0.761 -12.162 1.737 1.00 0.00 H new ATOM 0 HB3 PHE A 180 0.210 -11.596 3.081 1.00 0.00 H new ATOM 0 HD1 PHE A 180 2.822 -11.567 2.643 1.00 0.00 H new ATOM 0 HD2 PHE A 180 -0.135 -11.581 -0.426 1.00 0.00 H new ATOM 0 HE1 PHE A 180 4.455 -10.627 1.066 1.00 0.00 H new ATOM 0 HE2 PHE A 180 1.496 -10.643 -2.003 1.00 0.00 H new ATOM 0 HZ PHE A 180 3.794 -10.163 -1.261 1.00 0.00 H new ATOM 892 N ASP A 181 0.293 -14.532 4.832 1.00 0.00 N ATOM 893 CA ASP A 181 -0.425 -14.947 6.032 1.00 0.00 C ATOM 894 C ASP A 181 -0.725 -13.751 6.929 1.00 0.00 C ATOM 895 O ASP A 181 -0.132 -12.678 6.699 1.00 0.00 O ATOM 896 CB ASP A 181 0.388 -15.988 6.804 1.00 0.00 C ATOM 897 CG ASP A 181 0.146 -17.398 6.303 1.00 0.00 C ATOM 898 OD1 ASP A 181 0.775 -17.788 5.296 1.00 0.00 O ATOM 899 OD2 ASP A 181 -0.672 -18.115 6.918 1.00 0.00 O ATOM 900 OXT ASP A 181 -1.551 -13.899 7.853 1.00 0.00 O ATOM 0 H ASP A 181 1.306 -14.637 4.889 1.00 0.00 H new ATOM 0 HA ASP A 181 -1.371 -15.391 5.723 1.00 0.00 H new ATOM 0 HB2 ASP A 181 1.449 -15.752 6.719 1.00 0.00 H new ATOM 0 HB3 ASP A 181 0.133 -15.933 7.862 1.00 0.00 H new TER 905 ASP A 181 HETATM 906 ZN ZN A 182 -3.434 3.410 2.396 1.00 0.00 ZN