USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 589 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 115 HIS HD1 : A 115 HIS ND1 : A 1 ZNZN :(H bumps) USER MOD Set 1.1: A 68 CYS SG : rot 168:sc= -1.31 USER MOD Set 1.2: A 108 HIS : no HD1:sc= -1.53 K(o=-2.8,f=-4.4!) USER MOD Single : A 61 SER OG : rot 28:sc= 0.00902 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -0.0901 K(o=-0.09,f=-3.6!) USER MOD Single : A 82 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.225) USER MOD Single : A 90 GLN : amide:sc= -0.723 K(o=-0.72,f=0) USER MOD Single : A 91 LYS NZ :NH3+ -151:sc= -0.0622 (180deg=-0.495) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -1.67! C(o=-1.7!,f=-6.5!) USER MOD Single : A 96 LYS NZ :NH3+ -154:sc= -0.477 (180deg=-1.21) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -160:sc= -0.176 (180deg=-0.704) USER MOD Single : A 104 LYS NZ :NH3+ 154:sc= -0.0429 (180deg=-0.38) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 139:sc= -0.81 (180deg=-1.37) USER MOD Single : A 117 ASN : amide:sc= -0.37 X(o=-0.37,f=-0.05) USER MOD Single : A 120 GLN : amide:sc= -0.219 K(o=-0.22,f=-1.4!) USER MOD Single : A 121 SER OG : rot -68:sc= 1.26 USER MOD Single : A 124 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 127 LYS NZ :NH3+ -157:sc= -0.149 (180deg=-0.588) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 61 -16.127 -2.609 12.969 1.00 0.00 N ATOM 2 CA SER A 61 -16.580 -2.984 11.611 1.00 0.00 C ATOM 3 C SER A 61 -16.146 -1.950 10.577 1.00 0.00 C ATOM 4 O SER A 61 -15.802 -2.310 9.455 1.00 0.00 O ATOM 5 CB SER A 61 -18.091 -3.192 11.583 1.00 0.00 C ATOM 6 OG SER A 61 -18.451 -4.329 12.351 1.00 0.00 O ATOM 0 HA SER A 61 -16.105 -3.929 11.348 1.00 0.00 H new ATOM 0 HB2 SER A 61 -18.593 -2.307 11.975 1.00 0.00 H new ATOM 0 HB3 SER A 61 -18.427 -3.320 10.554 1.00 0.00 H new ATOM 0 HG SER A 61 -17.790 -4.466 13.062 1.00 0.00 H new ATOM 14 N ASN A 62 -16.144 -0.665 10.945 1.00 0.00 N ATOM 15 CA ASN A 62 -15.685 0.374 10.022 1.00 0.00 C ATOM 16 C ASN A 62 -14.202 0.664 10.260 1.00 0.00 C ATOM 17 O ASN A 62 -13.723 1.771 10.015 1.00 0.00 O ATOM 18 CB ASN A 62 -16.508 1.656 10.159 1.00 0.00 C ATOM 19 CG ASN A 62 -17.918 1.496 9.623 1.00 0.00 C ATOM 20 OD1 ASN A 62 -18.841 1.181 10.370 1.00 0.00 O ATOM 21 ND2 ASN A 62 -18.088 1.705 8.321 1.00 0.00 N ATOM 0 H ASN A 62 -16.449 -0.325 11.857 1.00 0.00 H new ATOM 0 HA ASN A 62 -15.822 0.005 9.005 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -16.552 1.946 11.209 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -16.008 2.464 9.625 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -19.014 1.605 7.905 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -17.292 1.965 7.738 1.00 0.00 H new ATOM 28 N ALA A 63 -13.495 -0.342 10.769 1.00 0.00 N ATOM 29 CA ALA A 63 -12.067 -0.254 11.024 1.00 0.00 C ATOM 30 C ALA A 63 -11.449 -1.654 11.065 1.00 0.00 C ATOM 31 O ALA A 63 -10.354 -1.844 11.592 1.00 0.00 O ATOM 32 CB ALA A 63 -11.806 0.480 12.330 1.00 0.00 C ATOM 0 H ALA A 63 -13.902 -1.244 11.016 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.602 0.308 10.214 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.732 0.538 12.507 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.218 1.487 12.270 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -12.280 -0.058 13.151 1.00 0.00 H new ATOM 38 N GLY A 64 -12.153 -2.630 10.486 1.00 0.00 N ATOM 39 CA GLY A 64 -11.674 -3.997 10.478 1.00 0.00 C ATOM 40 C GLY A 64 -11.939 -4.674 9.151 1.00 0.00 C ATOM 41 O GLY A 64 -12.712 -5.630 9.069 1.00 0.00 O ATOM 0 H GLY A 64 -13.050 -2.491 10.022 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.604 -4.009 10.686 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.160 -4.558 11.276 1.00 0.00 H new ATOM 45 N GLN A 65 -11.299 -4.164 8.108 1.00 0.00 N ATOM 46 CA GLN A 65 -11.456 -4.704 6.767 1.00 0.00 C ATOM 47 C GLN A 65 -10.183 -5.411 6.331 1.00 0.00 C ATOM 48 O GLN A 65 -9.310 -5.699 7.150 1.00 0.00 O ATOM 49 CB GLN A 65 -11.784 -3.575 5.789 1.00 0.00 C ATOM 50 CG GLN A 65 -12.750 -2.550 6.357 1.00 0.00 C ATOM 51 CD GLN A 65 -14.183 -3.042 6.375 1.00 0.00 C ATOM 52 OE1 GLN A 65 -14.437 -4.246 6.398 1.00 0.00 O ATOM 53 NE2 GLN A 65 -15.127 -2.109 6.375 1.00 0.00 N ATOM 0 H GLN A 65 -10.661 -3.370 8.167 1.00 0.00 H new ATOM 0 HA GLN A 65 -12.274 -5.425 6.772 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.860 -3.073 5.501 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -12.211 -4.002 4.881 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -12.446 -2.294 7.372 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -12.692 -1.636 5.766 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -14.869 -1.122 6.355 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -16.111 -2.379 6.395 1.00 0.00 H new ATOM 62 N LEU A 66 -10.074 -5.687 5.039 1.00 0.00 N ATOM 63 CA LEU A 66 -8.895 -6.353 4.518 1.00 0.00 C ATOM 64 C LEU A 66 -8.156 -5.491 3.508 1.00 0.00 C ATOM 65 O LEU A 66 -8.717 -4.552 2.944 1.00 0.00 O ATOM 66 CB LEU A 66 -9.252 -7.689 3.914 1.00 0.00 C ATOM 67 CG LEU A 66 -8.470 -8.827 4.546 1.00 0.00 C ATOM 68 CD1 LEU A 66 -8.688 -8.863 6.049 1.00 0.00 C ATOM 69 CD2 LEU A 66 -8.869 -10.130 3.952 1.00 0.00 C ATOM 0 H LEU A 66 -10.782 -5.461 4.340 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.224 -6.521 5.360 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -10.320 -7.870 4.039 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.056 -7.666 2.842 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.412 -8.655 4.348 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.118 -9.686 6.480 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.355 -7.922 6.488 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.748 -9.006 6.260 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.297 -10.933 4.418 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.933 -10.296 4.121 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.670 -10.118 2.880 1.00 0.00 H new ATOM 81 N CYS A 67 -6.885 -5.819 3.298 1.00 0.00 N ATOM 82 CA CYS A 67 -6.039 -5.087 2.363 1.00 0.00 C ATOM 83 C CYS A 67 -6.503 -5.303 0.925 1.00 0.00 C ATOM 84 O CYS A 67 -6.880 -6.413 0.546 1.00 0.00 O ATOM 85 CB CYS A 67 -4.585 -5.531 2.525 1.00 0.00 C ATOM 86 SG CYS A 67 -3.433 -4.734 1.386 1.00 0.00 S ATOM 0 H CYS A 67 -6.416 -6.594 3.767 1.00 0.00 H new ATOM 0 HA CYS A 67 -6.115 -4.023 2.585 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -4.267 -5.327 3.547 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.529 -6.610 2.384 1.00 0.00 H new ATOM 91 N CYS A 68 -6.463 -4.240 0.125 1.00 0.00 N ATOM 92 CA CYS A 68 -6.904 -4.312 -1.266 1.00 0.00 C ATOM 93 C CYS A 68 -5.739 -4.246 -2.251 1.00 0.00 C ATOM 94 O CYS A 68 -5.822 -3.568 -3.274 1.00 0.00 O ATOM 95 CB CYS A 68 -7.901 -3.189 -1.554 1.00 0.00 C ATOM 96 SG CYS A 68 -9.461 -3.360 -0.658 1.00 0.00 S ATOM 0 H CYS A 68 -6.131 -3.320 0.415 1.00 0.00 H new ATOM 0 HA CYS A 68 -7.387 -5.279 -1.405 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -7.445 -2.234 -1.294 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -8.107 -3.163 -2.624 1.00 0.00 H new ATOM 0 HG CYS A 68 -10.136 -2.253 -0.747 1.00 0.00 H new ATOM 102 N LEU A 69 -4.649 -4.933 -1.932 1.00 0.00 N ATOM 103 CA LEU A 69 -3.491 -4.984 -2.818 1.00 0.00 C ATOM 104 C LEU A 69 -3.033 -6.422 -3.019 1.00 0.00 C ATOM 105 O LEU A 69 -3.272 -7.285 -2.174 1.00 0.00 O ATOM 106 CB LEU A 69 -2.348 -4.146 -2.258 1.00 0.00 C ATOM 107 CG LEU A 69 -2.703 -2.686 -2.014 1.00 0.00 C ATOM 108 CD1 LEU A 69 -1.536 -1.954 -1.368 1.00 0.00 C ATOM 109 CD2 LEU A 69 -3.103 -2.011 -3.317 1.00 0.00 C ATOM 0 H LEU A 69 -4.542 -5.463 -1.067 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.786 -4.572 -3.783 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.015 -4.588 -1.319 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.506 -4.193 -2.949 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.552 -2.647 -1.332 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.808 -0.912 -1.201 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.295 -2.423 -0.414 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.668 -2.002 -2.025 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.354 -0.968 -3.124 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.273 -2.061 -4.022 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.969 -2.520 -3.740 1.00 0.00 H new ATOM 121 N ARG A 70 -2.377 -6.673 -4.144 1.00 0.00 N ATOM 122 CA ARG A 70 -1.887 -8.008 -4.459 1.00 0.00 C ATOM 123 C ARG A 70 -0.373 -8.007 -4.615 1.00 0.00 C ATOM 124 O ARG A 70 0.168 -7.332 -5.492 1.00 0.00 O ATOM 125 CB ARG A 70 -2.529 -8.519 -5.748 1.00 0.00 C ATOM 126 CG ARG A 70 -4.043 -8.401 -5.769 1.00 0.00 C ATOM 127 CD ARG A 70 -4.614 -8.948 -7.067 1.00 0.00 C ATOM 128 NE ARG A 70 -4.346 -10.380 -7.215 1.00 0.00 N ATOM 129 CZ ARG A 70 -5.266 -11.344 -7.111 1.00 0.00 C ATOM 130 NH1 ARG A 70 -6.533 -11.061 -6.828 1.00 0.00 N ATOM 131 NH2 ARG A 70 -4.907 -12.609 -7.281 1.00 0.00 N ATOM 0 H ARG A 70 -2.172 -5.970 -4.854 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.156 -8.667 -3.634 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -2.119 -7.964 -6.592 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.254 -9.564 -5.890 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.465 -8.945 -4.924 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.332 -7.356 -5.652 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.690 -8.774 -7.093 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.183 -8.408 -7.910 1.00 0.00 H new ATOM 0 HE ARG A 70 -3.386 -10.663 -7.412 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.820 -10.093 -6.685 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -7.219 -11.812 -6.753 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -3.936 -12.840 -7.489 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.602 -13.351 -7.203 1.00 0.00 H new ATOM 145 N GLU A 71 0.311 -8.761 -3.763 1.00 0.00 N ATOM 146 CA GLU A 71 1.762 -8.848 -3.832 1.00 0.00 C ATOM 147 C GLU A 71 2.179 -9.993 -4.747 1.00 0.00 C ATOM 148 O GLU A 71 1.741 -11.130 -4.574 1.00 0.00 O ATOM 149 CB GLU A 71 2.361 -9.039 -2.437 1.00 0.00 C ATOM 150 CG GLU A 71 3.876 -9.142 -2.442 1.00 0.00 C ATOM 151 CD GLU A 71 4.481 -8.953 -1.065 1.00 0.00 C ATOM 152 OE1 GLU A 71 4.381 -9.884 -0.239 1.00 0.00 O ATOM 153 OE2 GLU A 71 5.056 -7.873 -0.813 1.00 0.00 O ATOM 0 H GLU A 71 -0.114 -9.317 -3.021 1.00 0.00 H new ATOM 0 HA GLU A 71 2.142 -7.913 -4.243 1.00 0.00 H new ATOM 0 HB2 GLU A 71 2.063 -8.203 -1.804 1.00 0.00 H new ATOM 0 HB3 GLU A 71 1.944 -9.942 -1.991 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.168 -10.117 -2.832 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.285 -8.392 -3.120 1.00 0.00 H new ATOM 160 N ASP A 72 3.022 -9.681 -5.727 1.00 0.00 N ATOM 161 CA ASP A 72 3.489 -10.679 -6.682 1.00 0.00 C ATOM 162 C ASP A 72 2.309 -11.388 -7.336 1.00 0.00 C ATOM 163 O ASP A 72 2.417 -12.539 -7.758 1.00 0.00 O ATOM 164 CB ASP A 72 4.403 -11.695 -5.998 1.00 0.00 C ATOM 165 CG ASP A 72 5.713 -11.080 -5.547 1.00 0.00 C ATOM 166 OD1 ASP A 72 6.430 -10.517 -6.401 1.00 0.00 O ATOM 167 OD2 ASP A 72 6.022 -11.159 -4.340 1.00 0.00 O ATOM 0 H ASP A 72 3.395 -8.744 -5.880 1.00 0.00 H new ATOM 0 HA ASP A 72 4.060 -10.167 -7.456 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.889 -12.121 -5.136 1.00 0.00 H new ATOM 0 HB3 ASP A 72 4.607 -12.516 -6.685 1.00 0.00 H new ATOM 172 N GLY A 73 1.181 -10.687 -7.419 1.00 0.00 N ATOM 173 CA GLY A 73 -0.006 -11.260 -8.024 1.00 0.00 C ATOM 174 C GLY A 73 -0.881 -12.003 -7.031 1.00 0.00 C ATOM 175 O GLY A 73 -1.965 -12.467 -7.386 1.00 0.00 O ATOM 0 H GLY A 73 1.069 -9.732 -7.078 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.589 -10.465 -8.489 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.292 -11.944 -8.819 1.00 0.00 H new ATOM 179 N GLU A 74 -0.422 -12.119 -5.787 1.00 0.00 N ATOM 180 CA GLU A 74 -1.185 -12.821 -4.761 1.00 0.00 C ATOM 181 C GLU A 74 -1.706 -11.861 -3.693 1.00 0.00 C ATOM 182 O GLU A 74 -1.030 -10.903 -3.316 1.00 0.00 O ATOM 183 CB GLU A 74 -0.337 -13.921 -4.123 1.00 0.00 C ATOM 184 CG GLU A 74 -0.222 -15.164 -4.988 1.00 0.00 C ATOM 185 CD GLU A 74 -1.572 -15.652 -5.479 1.00 0.00 C ATOM 186 OE1 GLU A 74 -2.481 -15.827 -4.639 1.00 0.00 O ATOM 187 OE2 GLU A 74 -1.724 -15.849 -6.703 1.00 0.00 O ATOM 0 H GLU A 74 0.469 -11.738 -5.468 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.048 -13.278 -5.245 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.661 -13.532 -3.923 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.771 -14.194 -3.161 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.418 -14.950 -5.844 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.263 -15.957 -4.418 1.00 0.00 H new ATOM 194 N ARG A 75 -2.913 -12.140 -3.209 1.00 0.00 N ATOM 195 CA ARG A 75 -3.563 -11.307 -2.200 1.00 0.00 C ATOM 196 C ARG A 75 -2.675 -11.084 -0.982 1.00 0.00 C ATOM 197 O ARG A 75 -1.721 -11.823 -0.742 1.00 0.00 O ATOM 198 CB ARG A 75 -4.876 -11.950 -1.754 1.00 0.00 C ATOM 199 CG ARG A 75 -5.973 -10.943 -1.448 1.00 0.00 C ATOM 200 CD ARG A 75 -6.486 -10.293 -2.720 1.00 0.00 C ATOM 201 NE ARG A 75 -6.858 -11.297 -3.718 1.00 0.00 N ATOM 202 CZ ARG A 75 -8.112 -11.637 -4.032 1.00 0.00 C ATOM 203 NH1 ARG A 75 -9.155 -11.052 -3.452 1.00 0.00 N ATOM 204 NH2 ARG A 75 -8.323 -12.588 -4.933 1.00 0.00 N ATOM 0 H ARG A 75 -3.466 -12.945 -3.503 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.757 -10.338 -2.660 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.223 -12.627 -2.535 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.692 -12.555 -0.866 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -6.795 -11.441 -0.933 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.591 -10.177 -0.773 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -7.350 -9.669 -2.489 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.719 -9.636 -3.130 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.103 -11.773 -4.211 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -9.008 -10.326 -2.750 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -10.103 -11.329 -3.708 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -7.532 -13.052 -5.379 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.276 -12.855 -5.179 1.00 0.00 H new ATOM 218 N CYS A 76 -3.013 -10.055 -0.209 1.00 0.00 N ATOM 219 CA CYS A 76 -2.271 -9.717 0.997 1.00 0.00 C ATOM 220 C CYS A 76 -2.670 -10.641 2.146 1.00 0.00 C ATOM 221 O CYS A 76 -1.877 -11.467 2.596 1.00 0.00 O ATOM 222 CB CYS A 76 -2.526 -8.258 1.381 1.00 0.00 C ATOM 223 SG CYS A 76 -1.433 -7.629 2.674 1.00 0.00 S ATOM 0 H CYS A 76 -3.802 -9.438 -0.401 1.00 0.00 H new ATOM 0 HA CYS A 76 -1.207 -9.849 0.799 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -2.415 -7.636 0.493 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -3.559 -8.157 1.714 1.00 0.00 H new ATOM 228 N GLY A 77 -3.907 -10.502 2.612 1.00 0.00 N ATOM 229 CA GLY A 77 -4.384 -11.338 3.700 1.00 0.00 C ATOM 230 C GLY A 77 -4.392 -10.614 5.031 1.00 0.00 C ATOM 231 O GLY A 77 -5.108 -11.004 5.952 1.00 0.00 O ATOM 0 H GLY A 77 -4.586 -9.828 2.258 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.392 -11.683 3.473 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.753 -12.224 3.776 1.00 0.00 H new ATOM 235 N ARG A 78 -3.584 -9.564 5.138 1.00 0.00 N ATOM 236 CA ARG A 78 -3.518 -8.781 6.363 1.00 0.00 C ATOM 237 C ARG A 78 -4.643 -7.756 6.381 1.00 0.00 C ATOM 238 O ARG A 78 -4.904 -7.092 5.378 1.00 0.00 O ATOM 239 CB ARG A 78 -2.161 -8.088 6.486 1.00 0.00 C ATOM 240 CG ARG A 78 -1.941 -7.425 7.836 1.00 0.00 C ATOM 241 CD ARG A 78 -0.563 -6.792 7.931 1.00 0.00 C ATOM 242 NE ARG A 78 -0.410 -6.005 9.151 1.00 0.00 N ATOM 243 CZ ARG A 78 -0.162 -6.535 10.344 1.00 0.00 C ATOM 244 NH1 ARG A 78 -0.038 -7.849 10.474 1.00 0.00 N ATOM 245 NH2 ARG A 78 -0.039 -5.752 11.407 1.00 0.00 N ATOM 0 H ARG A 78 -2.968 -9.238 4.393 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.635 -9.450 7.215 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.371 -8.820 6.316 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.073 -7.336 5.702 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.704 -6.663 7.996 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.058 -8.164 8.628 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.198 -7.572 7.904 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.396 -6.154 7.063 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.498 -4.991 9.084 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -0.133 -8.453 9.658 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.152 -8.255 11.390 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.135 -4.741 11.310 1.00 0.00 H new ATOM 0 HH22 ARG A 78 0.151 -6.161 12.322 1.00 0.00 H new ATOM 259 N ALA A 79 -5.312 -7.629 7.515 1.00 0.00 N ATOM 260 CA ALA A 79 -6.423 -6.699 7.628 1.00 0.00 C ATOM 261 C ALA A 79 -5.992 -5.266 7.302 1.00 0.00 C ATOM 262 O ALA A 79 -4.823 -4.904 7.450 1.00 0.00 O ATOM 263 CB ALA A 79 -7.030 -6.779 9.017 1.00 0.00 C ATOM 0 H ALA A 79 -5.107 -8.154 8.365 1.00 0.00 H new ATOM 0 HA ALA A 79 -7.180 -6.984 6.897 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.862 -6.078 9.092 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.391 -7.791 9.199 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -6.274 -6.525 9.760 1.00 0.00 H new ATOM 269 N ALA A 80 -6.952 -4.456 6.855 1.00 0.00 N ATOM 270 CA ALA A 80 -6.688 -3.066 6.490 1.00 0.00 C ATOM 271 C ALA A 80 -6.441 -2.197 7.719 1.00 0.00 C ATOM 272 O ALA A 80 -6.999 -2.442 8.788 1.00 0.00 O ATOM 273 CB ALA A 80 -7.846 -2.511 5.675 1.00 0.00 C ATOM 0 H ALA A 80 -7.924 -4.742 6.737 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.781 -3.047 5.886 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.639 -1.475 5.408 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.968 -3.102 4.767 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.761 -2.558 6.265 1.00 0.00 H new ATOM 279 N GLY A 81 -5.613 -1.168 7.552 1.00 0.00 N ATOM 280 CA GLY A 81 -5.293 -0.286 8.658 1.00 0.00 C ATOM 281 C GLY A 81 -6.000 1.057 8.586 1.00 0.00 C ATOM 282 O GLY A 81 -7.224 1.131 8.693 1.00 0.00 O ATOM 0 H GLY A 81 -5.159 -0.931 6.670 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.559 -0.778 9.594 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.216 -0.120 8.680 1.00 0.00 H new ATOM 286 N ASN A 82 -5.221 2.121 8.404 1.00 0.00 N ATOM 287 CA ASN A 82 -5.771 3.473 8.350 1.00 0.00 C ATOM 288 C ASN A 82 -5.362 4.221 7.077 1.00 0.00 C ATOM 289 O ASN A 82 -6.086 5.100 6.609 1.00 0.00 O ATOM 290 CB ASN A 82 -5.302 4.257 9.578 1.00 0.00 C ATOM 291 CG ASN A 82 -6.059 5.553 9.773 1.00 0.00 C ATOM 292 OD1 ASN A 82 -7.252 5.639 9.482 1.00 0.00 O ATOM 293 ND2 ASN A 82 -5.368 6.572 10.269 1.00 0.00 N ATOM 0 H ASN A 82 -4.208 2.073 8.292 1.00 0.00 H new ATOM 0 HA ASN A 82 -6.858 3.387 8.340 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -5.420 3.636 10.466 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -4.238 4.474 9.480 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -5.825 7.471 10.423 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -4.380 6.456 10.496 1.00 0.00 H new ATOM 300 N ALA A 83 -4.202 3.879 6.524 1.00 0.00 N ATOM 301 CA ALA A 83 -3.706 4.537 5.318 1.00 0.00 C ATOM 302 C ALA A 83 -4.676 4.391 4.151 1.00 0.00 C ATOM 303 O ALA A 83 -5.708 3.728 4.260 1.00 0.00 O ATOM 304 CB ALA A 83 -2.342 3.980 4.939 1.00 0.00 C ATOM 0 H ALA A 83 -3.588 3.151 6.890 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.614 5.601 5.538 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.983 4.478 4.039 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.639 4.153 5.754 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.425 2.909 4.752 1.00 0.00 H new ATOM 310 N SER A 84 -4.330 5.021 3.033 1.00 0.00 N ATOM 311 CA SER A 84 -5.157 4.971 1.836 1.00 0.00 C ATOM 312 C SER A 84 -4.294 4.938 0.578 1.00 0.00 C ATOM 313 O SER A 84 -3.258 5.597 0.505 1.00 0.00 O ATOM 314 CB SER A 84 -6.095 6.179 1.789 1.00 0.00 C ATOM 315 OG SER A 84 -5.367 7.392 1.860 1.00 0.00 O ATOM 0 H SER A 84 -3.479 5.574 2.933 1.00 0.00 H new ATOM 0 HA SER A 84 -5.750 4.057 1.873 1.00 0.00 H new ATOM 0 HB2 SER A 84 -6.679 6.155 0.869 1.00 0.00 H new ATOM 0 HB3 SER A 84 -6.802 6.127 2.617 1.00 0.00 H new ATOM 0 HG SER A 84 -5.989 8.149 1.826 1.00 0.00 H new ATOM 321 N PHE A 85 -4.727 4.157 -0.404 1.00 0.00 N ATOM 322 CA PHE A 85 -4.012 4.041 -1.669 1.00 0.00 C ATOM 323 C PHE A 85 -4.139 5.339 -2.456 1.00 0.00 C ATOM 324 O PHE A 85 -5.113 5.549 -3.179 1.00 0.00 O ATOM 325 CB PHE A 85 -4.582 2.868 -2.461 1.00 0.00 C ATOM 326 CG PHE A 85 -3.944 2.625 -3.798 1.00 0.00 C ATOM 327 CD1 PHE A 85 -2.705 2.008 -3.897 1.00 0.00 C ATOM 328 CD2 PHE A 85 -4.613 2.966 -4.961 1.00 0.00 C ATOM 329 CE1 PHE A 85 -2.147 1.745 -5.135 1.00 0.00 C ATOM 330 CE2 PHE A 85 -4.067 2.694 -6.196 1.00 0.00 C ATOM 331 CZ PHE A 85 -2.836 2.084 -6.287 1.00 0.00 C ATOM 0 H PHE A 85 -5.574 3.592 -0.348 1.00 0.00 H new ATOM 0 HA PHE A 85 -2.954 3.859 -1.481 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.484 1.964 -1.860 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.648 3.037 -2.611 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -2.172 1.731 -3.000 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.576 3.452 -4.899 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -1.176 1.276 -5.203 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.605 2.960 -7.094 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.409 1.870 -7.256 1.00 0.00 H new ATOM 341 N SER A 86 -3.152 6.213 -2.296 1.00 0.00 N ATOM 342 CA SER A 86 -3.156 7.507 -2.965 1.00 0.00 C ATOM 343 C SER A 86 -2.318 7.488 -4.240 1.00 0.00 C ATOM 344 O SER A 86 -1.936 6.428 -4.735 1.00 0.00 O ATOM 345 CB SER A 86 -2.623 8.578 -2.012 1.00 0.00 C ATOM 346 OG SER A 86 -1.248 8.369 -1.734 1.00 0.00 O ATOM 0 H SER A 86 -2.336 6.047 -1.706 1.00 0.00 H new ATOM 0 HA SER A 86 -4.184 7.736 -3.247 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.763 9.565 -2.453 1.00 0.00 H new ATOM 0 HB3 SER A 86 -3.193 8.560 -1.083 1.00 0.00 H new ATOM 0 HG SER A 86 -0.928 9.066 -1.124 1.00 0.00 H new ATOM 352 N LYS A 87 -2.077 8.677 -4.781 1.00 0.00 N ATOM 353 CA LYS A 87 -1.277 8.841 -5.989 1.00 0.00 C ATOM 354 C LYS A 87 0.212 8.730 -5.673 1.00 0.00 C ATOM 355 O LYS A 87 0.983 8.140 -6.431 1.00 0.00 O ATOM 356 CB LYS A 87 -1.584 10.196 -6.625 1.00 0.00 C ATOM 357 CG LYS A 87 -3.069 10.528 -6.637 1.00 0.00 C ATOM 358 CD LYS A 87 -3.343 11.888 -7.260 1.00 0.00 C ATOM 359 CE LYS A 87 -3.533 12.965 -6.202 1.00 0.00 C ATOM 360 NZ LYS A 87 -2.238 13.414 -5.619 1.00 0.00 N ATOM 0 H LYS A 87 -2.430 9.553 -4.395 1.00 0.00 H new ATOM 0 HA LYS A 87 -1.533 8.047 -6.690 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.048 10.975 -6.082 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.208 10.204 -7.648 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -3.608 9.760 -7.192 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.452 10.513 -5.617 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -2.515 12.162 -7.913 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -4.235 11.829 -7.884 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -4.047 13.819 -6.643 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -4.174 12.583 -5.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -2.387 14.287 -5.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -1.864 12.673 -4.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -1.557 13.596 -6.384 1.00 0.00 H new ATOM 374 N ARG A 88 0.606 9.318 -4.545 1.00 0.00 N ATOM 375 CA ARG A 88 1.996 9.297 -4.102 1.00 0.00 C ATOM 376 C ARG A 88 2.492 7.862 -3.958 1.00 0.00 C ATOM 377 O ARG A 88 3.638 7.553 -4.290 1.00 0.00 O ATOM 378 CB ARG A 88 2.124 10.065 -2.777 1.00 0.00 C ATOM 379 CG ARG A 88 3.400 9.784 -1.989 1.00 0.00 C ATOM 380 CD ARG A 88 3.234 8.612 -1.028 1.00 0.00 C ATOM 381 NE ARG A 88 2.074 8.777 -0.140 1.00 0.00 N ATOM 382 CZ ARG A 88 2.122 8.846 1.195 1.00 0.00 C ATOM 383 NH1 ARG A 88 3.272 8.767 1.858 1.00 0.00 N ATOM 384 NH2 ARG A 88 0.994 8.993 1.878 1.00 0.00 N ATOM 0 H ARG A 88 -0.024 9.818 -3.918 1.00 0.00 H new ATOM 0 HA ARG A 88 2.620 9.786 -4.850 1.00 0.00 H new ATOM 0 HB2 ARG A 88 2.073 11.133 -2.987 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.267 9.822 -2.149 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.214 9.572 -2.682 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.683 10.675 -1.428 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.123 7.690 -1.599 1.00 0.00 H new ATOM 0 HD3 ARG A 88 4.137 8.508 -0.426 1.00 0.00 H new ATOM 0 HE ARG A 88 1.156 8.845 -0.579 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.148 8.651 1.348 1.00 0.00 H new ATOM 0 HH12 ARG A 88 3.278 8.823 2.876 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.103 9.052 1.385 1.00 0.00 H new ATOM 0 HH22 ARG A 88 1.018 9.047 2.896 1.00 0.00 H new ATOM 398 N ILE A 89 1.624 6.987 -3.464 1.00 0.00 N ATOM 399 CA ILE A 89 1.972 5.586 -3.292 1.00 0.00 C ATOM 400 C ILE A 89 2.113 4.907 -4.650 1.00 0.00 C ATOM 401 O ILE A 89 2.951 4.026 -4.832 1.00 0.00 O ATOM 402 CB ILE A 89 0.923 4.848 -2.434 1.00 0.00 C ATOM 403 CG1 ILE A 89 0.890 5.449 -1.027 1.00 0.00 C ATOM 404 CG2 ILE A 89 1.222 3.356 -2.368 1.00 0.00 C ATOM 405 CD1 ILE A 89 -0.029 4.715 -0.074 1.00 0.00 C ATOM 0 H ILE A 89 0.675 7.225 -3.176 1.00 0.00 H new ATOM 0 HA ILE A 89 2.927 5.540 -2.769 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.055 4.972 -2.899 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.900 5.448 -0.617 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.574 6.490 -1.093 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.467 2.860 -1.757 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.207 2.937 -3.374 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.206 3.201 -1.925 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.001 5.198 0.903 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.048 4.738 -0.461 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.299 3.680 0.023 1.00 0.00 H new ATOM 417 N GLN A 90 1.290 5.329 -5.604 1.00 0.00 N ATOM 418 CA GLN A 90 1.339 4.778 -6.951 1.00 0.00 C ATOM 419 C GLN A 90 2.659 5.156 -7.615 1.00 0.00 C ATOM 420 O GLN A 90 3.318 4.321 -8.235 1.00 0.00 O ATOM 421 CB GLN A 90 0.160 5.292 -7.778 1.00 0.00 C ATOM 422 CG GLN A 90 0.199 4.863 -9.238 1.00 0.00 C ATOM 423 CD GLN A 90 -1.054 5.251 -10.011 1.00 0.00 C ATOM 424 OE1 GLN A 90 -1.417 4.593 -10.985 1.00 0.00 O ATOM 425 NE2 GLN A 90 -1.723 6.322 -9.589 1.00 0.00 N ATOM 0 H GLN A 90 0.582 6.050 -5.468 1.00 0.00 H new ATOM 0 HA GLN A 90 1.270 3.692 -6.893 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.768 4.937 -7.330 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.142 6.381 -7.729 1.00 0.00 H new ATOM 0 HG2 GLN A 90 1.068 5.312 -9.719 1.00 0.00 H new ATOM 0 HG3 GLN A 90 0.329 3.782 -9.289 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -1.392 6.843 -8.777 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -2.567 6.621 -10.078 1.00 0.00 H new ATOM 434 N LYS A 91 3.041 6.423 -7.474 1.00 0.00 N ATOM 435 CA LYS A 91 4.291 6.911 -8.039 1.00 0.00 C ATOM 436 C LYS A 91 5.468 6.187 -7.399 1.00 0.00 C ATOM 437 O LYS A 91 6.391 5.748 -8.085 1.00 0.00 O ATOM 438 CB LYS A 91 4.426 8.418 -7.820 1.00 0.00 C ATOM 439 CG LYS A 91 5.717 8.997 -8.372 1.00 0.00 C ATOM 440 CD LYS A 91 5.511 9.607 -9.749 1.00 0.00 C ATOM 441 CE LYS A 91 5.746 11.109 -9.733 1.00 0.00 C ATOM 442 NZ LYS A 91 4.940 11.791 -8.682 1.00 0.00 N ATOM 0 H LYS A 91 2.501 7.128 -6.973 1.00 0.00 H new ATOM 0 HA LYS A 91 4.288 6.714 -9.111 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.581 8.922 -8.289 1.00 0.00 H new ATOM 0 HB3 LYS A 91 4.370 8.628 -6.752 1.00 0.00 H new ATOM 0 HG2 LYS A 91 6.097 9.757 -7.689 1.00 0.00 H new ATOM 0 HG3 LYS A 91 6.473 8.214 -8.429 1.00 0.00 H new ATOM 0 HD2 LYS A 91 6.191 9.139 -10.461 1.00 0.00 H new ATOM 0 HD3 LYS A 91 4.497 9.400 -10.092 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.804 11.308 -9.564 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.495 11.525 -10.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 4.728 12.764 -8.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.050 11.273 -8.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.478 11.814 -7.792 1.00 0.00 H new ATOM 456 N SER A 92 5.428 6.068 -6.072 1.00 0.00 N ATOM 457 CA SER A 92 6.482 5.380 -5.339 1.00 0.00 C ATOM 458 C SER A 92 6.637 3.957 -5.858 1.00 0.00 C ATOM 459 O SER A 92 7.747 3.500 -6.125 1.00 0.00 O ATOM 460 CB SER A 92 6.178 5.364 -3.839 1.00 0.00 C ATOM 461 OG SER A 92 6.770 6.474 -3.186 1.00 0.00 O ATOM 0 H SER A 92 4.679 6.439 -5.488 1.00 0.00 H new ATOM 0 HA SER A 92 7.417 5.919 -5.494 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.099 5.380 -3.683 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.550 4.439 -3.399 1.00 0.00 H new ATOM 0 HG SER A 92 6.559 6.441 -2.229 1.00 0.00 H new ATOM 467 N ILE A 93 5.512 3.258 -5.998 1.00 0.00 N ATOM 468 CA ILE A 93 5.523 1.895 -6.508 1.00 0.00 C ATOM 469 C ILE A 93 6.111 1.873 -7.916 1.00 0.00 C ATOM 470 O ILE A 93 6.883 0.981 -8.267 1.00 0.00 O ATOM 471 CB ILE A 93 4.097 1.285 -6.531 1.00 0.00 C ATOM 472 CG1 ILE A 93 3.583 1.074 -5.106 1.00 0.00 C ATOM 473 CG2 ILE A 93 4.068 -0.035 -7.294 1.00 0.00 C ATOM 474 CD1 ILE A 93 2.142 0.616 -5.048 1.00 0.00 C ATOM 0 H ILE A 93 4.585 3.615 -5.765 1.00 0.00 H new ATOM 0 HA ILE A 93 6.139 1.293 -5.840 1.00 0.00 H new ATOM 0 HB ILE A 93 3.445 1.990 -7.047 1.00 0.00 H new ATOM 0 HG12 ILE A 93 4.211 0.336 -4.607 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.683 2.006 -4.550 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.054 -0.435 -7.291 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.389 0.132 -8.322 1.00 0.00 H new ATOM 0 HG23 ILE A 93 4.740 -0.747 -6.815 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.843 0.486 -4.008 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.503 1.364 -5.518 1.00 0.00 H new ATOM 0 HD13 ILE A 93 2.040 -0.332 -5.576 1.00 0.00 H new ATOM 486 N SER A 94 5.738 2.867 -8.715 1.00 0.00 N ATOM 487 CA SER A 94 6.216 2.970 -10.087 1.00 0.00 C ATOM 488 C SER A 94 7.737 3.067 -10.129 1.00 0.00 C ATOM 489 O SER A 94 8.388 2.395 -10.929 1.00 0.00 O ATOM 490 CB SER A 94 5.589 4.184 -10.775 1.00 0.00 C ATOM 491 OG SER A 94 5.198 3.871 -12.100 1.00 0.00 O ATOM 0 H SER A 94 5.104 3.615 -8.434 1.00 0.00 H new ATOM 0 HA SER A 94 5.918 2.067 -10.620 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.722 4.521 -10.206 1.00 0.00 H new ATOM 0 HB3 SER A 94 6.302 5.008 -10.788 1.00 0.00 H new ATOM 0 HG SER A 94 4.798 4.662 -12.519 1.00 0.00 H new ATOM 497 N GLN A 95 8.303 3.910 -9.267 1.00 0.00 N ATOM 498 CA GLN A 95 9.750 4.076 -9.212 1.00 0.00 C ATOM 499 C GLN A 95 10.406 2.773 -8.773 1.00 0.00 C ATOM 500 O GLN A 95 11.478 2.409 -9.256 1.00 0.00 O ATOM 501 CB GLN A 95 10.124 5.216 -8.262 1.00 0.00 C ATOM 502 CG GLN A 95 11.608 5.562 -8.256 1.00 0.00 C ATOM 503 CD GLN A 95 12.098 6.127 -9.578 1.00 0.00 C ATOM 504 OE1 GLN A 95 11.679 5.693 -10.650 1.00 0.00 O ATOM 505 NE2 GLN A 95 12.983 7.114 -9.506 1.00 0.00 N ATOM 0 H GLN A 95 7.784 4.484 -8.602 1.00 0.00 H new ATOM 0 HA GLN A 95 10.113 4.332 -10.207 1.00 0.00 H new ATOM 0 HB2 GLN A 95 9.556 6.105 -8.538 1.00 0.00 H new ATOM 0 HB3 GLN A 95 9.821 4.945 -7.250 1.00 0.00 H new ATOM 0 HG2 GLN A 95 11.802 6.286 -7.465 1.00 0.00 H new ATOM 0 HG3 GLN A 95 12.182 4.667 -8.016 1.00 0.00 H new ATOM 0 HE21 GLN A 95 13.305 7.445 -8.596 1.00 0.00 H new ATOM 0 HE22 GLN A 95 13.341 7.541 -10.360 1.00 0.00 H new ATOM 514 N LYS A 96 9.751 2.072 -7.849 1.00 0.00 N ATOM 515 CA LYS A 96 10.250 0.790 -7.367 1.00 0.00 C ATOM 516 C LYS A 96 10.106 -0.250 -8.468 1.00 0.00 C ATOM 517 O LYS A 96 10.950 -1.132 -8.630 1.00 0.00 O ATOM 518 CB LYS A 96 9.457 0.318 -6.140 1.00 0.00 C ATOM 519 CG LYS A 96 9.510 1.260 -4.951 1.00 0.00 C ATOM 520 CD LYS A 96 8.444 0.915 -3.922 1.00 0.00 C ATOM 521 CE LYS A 96 8.962 -0.055 -2.868 1.00 0.00 C ATOM 522 NZ LYS A 96 9.421 -1.341 -3.460 1.00 0.00 N ATOM 0 H LYS A 96 8.875 2.372 -7.421 1.00 0.00 H new ATOM 0 HA LYS A 96 11.296 0.912 -7.087 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.415 0.178 -6.429 1.00 0.00 H new ATOM 0 HB3 LYS A 96 9.836 -0.656 -5.832 1.00 0.00 H new ATOM 0 HG2 LYS A 96 10.495 1.209 -4.488 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.371 2.286 -5.291 1.00 0.00 H new ATOM 0 HD2 LYS A 96 8.100 1.828 -3.436 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.582 0.477 -4.426 1.00 0.00 H new ATOM 0 HE2 LYS A 96 9.787 0.408 -2.326 1.00 0.00 H new ATOM 0 HE3 LYS A 96 8.174 -0.253 -2.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 9.345 -2.097 -2.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 8.828 -1.576 -4.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 10.412 -1.250 -3.763 1.00 0.00 H new ATOM 536 N LYS A 97 9.023 -0.120 -9.227 1.00 0.00 N ATOM 537 CA LYS A 97 8.714 -1.048 -10.303 1.00 0.00 C ATOM 538 C LYS A 97 8.533 -2.448 -9.733 1.00 0.00 C ATOM 539 O LYS A 97 9.452 -3.268 -9.752 1.00 0.00 O ATOM 540 CB LYS A 97 9.804 -1.036 -11.378 1.00 0.00 C ATOM 541 CG LYS A 97 9.295 -1.455 -12.748 1.00 0.00 C ATOM 542 CD LYS A 97 9.414 -0.333 -13.768 1.00 0.00 C ATOM 543 CE LYS A 97 10.798 -0.298 -14.397 1.00 0.00 C ATOM 544 NZ LYS A 97 10.805 0.456 -15.681 1.00 0.00 N ATOM 0 H LYS A 97 8.339 0.628 -9.113 1.00 0.00 H new ATOM 0 HA LYS A 97 7.785 -0.733 -10.778 1.00 0.00 H new ATOM 0 HB2 LYS A 97 10.228 -0.034 -11.445 1.00 0.00 H new ATOM 0 HB3 LYS A 97 10.611 -1.704 -11.077 1.00 0.00 H new ATOM 0 HG2 LYS A 97 9.858 -2.321 -13.095 1.00 0.00 H new ATOM 0 HG3 LYS A 97 8.253 -1.764 -12.669 1.00 0.00 H new ATOM 0 HD2 LYS A 97 8.662 -0.466 -14.546 1.00 0.00 H new ATOM 0 HD3 LYS A 97 9.208 0.622 -13.286 1.00 0.00 H new ATOM 0 HE2 LYS A 97 11.501 0.161 -13.702 1.00 0.00 H new ATOM 0 HE3 LYS A 97 11.143 -1.317 -14.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 11.766 0.457 -16.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 10.153 0.003 -16.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 10.500 1.436 -15.510 1.00 0.00 H new ATOM 558 N VAL A 98 7.341 -2.700 -9.204 1.00 0.00 N ATOM 559 CA VAL A 98 7.020 -3.985 -8.601 1.00 0.00 C ATOM 560 C VAL A 98 5.663 -4.492 -9.078 1.00 0.00 C ATOM 561 O VAL A 98 4.940 -3.788 -9.782 1.00 0.00 O ATOM 562 CB VAL A 98 7.007 -3.882 -7.066 1.00 0.00 C ATOM 563 CG1 VAL A 98 8.403 -3.583 -6.539 1.00 0.00 C ATOM 564 CG2 VAL A 98 6.023 -2.813 -6.614 1.00 0.00 C ATOM 0 H VAL A 98 6.577 -2.025 -9.182 1.00 0.00 H new ATOM 0 HA VAL A 98 7.793 -4.689 -8.910 1.00 0.00 H new ATOM 0 HB VAL A 98 6.686 -4.840 -6.658 1.00 0.00 H new ATOM 0 HG11 VAL A 98 8.374 -3.514 -5.452 1.00 0.00 H new ATOM 0 HG12 VAL A 98 9.082 -4.383 -6.834 1.00 0.00 H new ATOM 0 HG13 VAL A 98 8.754 -2.638 -6.954 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.026 -2.753 -5.526 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.315 -1.850 -7.032 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.022 -3.070 -6.961 1.00 0.00 H new ATOM 574 N LYS A 99 5.320 -5.716 -8.686 1.00 0.00 N ATOM 575 CA LYS A 99 4.051 -6.312 -9.084 1.00 0.00 C ATOM 576 C LYS A 99 2.989 -6.132 -8.005 1.00 0.00 C ATOM 577 O LYS A 99 2.531 -7.102 -7.400 1.00 0.00 O ATOM 578 CB LYS A 99 4.234 -7.796 -9.399 1.00 0.00 C ATOM 579 CG LYS A 99 5.291 -8.057 -10.457 1.00 0.00 C ATOM 580 CD LYS A 99 5.010 -9.334 -11.228 1.00 0.00 C ATOM 581 CE LYS A 99 5.993 -9.516 -12.372 1.00 0.00 C ATOM 582 NZ LYS A 99 6.099 -8.292 -13.213 1.00 0.00 N ATOM 0 H LYS A 99 5.901 -6.311 -8.096 1.00 0.00 H new ATOM 0 HA LYS A 99 3.710 -5.797 -9.982 1.00 0.00 H new ATOM 0 HB2 LYS A 99 4.506 -8.324 -8.485 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.283 -8.209 -9.735 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.329 -7.215 -11.149 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.271 -8.126 -9.984 1.00 0.00 H new ATOM 0 HD2 LYS A 99 5.070 -10.189 -10.554 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.993 -9.308 -11.620 1.00 0.00 H new ATOM 0 HE2 LYS A 99 6.975 -9.767 -11.971 1.00 0.00 H new ATOM 0 HE3 LYS A 99 5.678 -10.356 -12.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 6.492 -8.543 -14.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 5.155 -7.873 -13.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 6.725 -7.604 -12.747 1.00 0.00 H new ATOM 596 N ILE A 100 2.610 -4.884 -7.768 1.00 0.00 N ATOM 597 CA ILE A 100 1.592 -4.568 -6.778 1.00 0.00 C ATOM 598 C ILE A 100 0.586 -3.583 -7.353 1.00 0.00 C ATOM 599 O ILE A 100 0.904 -2.415 -7.577 1.00 0.00 O ATOM 600 CB ILE A 100 2.205 -3.977 -5.492 1.00 0.00 C ATOM 601 CG1 ILE A 100 3.204 -4.958 -4.879 1.00 0.00 C ATOM 602 CG2 ILE A 100 1.111 -3.633 -4.489 1.00 0.00 C ATOM 603 CD1 ILE A 100 3.848 -4.448 -3.607 1.00 0.00 C ATOM 0 H ILE A 100 2.994 -4.072 -8.250 1.00 0.00 H new ATOM 0 HA ILE A 100 1.092 -5.502 -6.520 1.00 0.00 H new ATOM 0 HB ILE A 100 2.735 -3.060 -5.751 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.695 -5.898 -4.667 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.983 -5.175 -5.610 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.561 -3.217 -3.588 1.00 0.00 H new ATOM 0 HG22 ILE A 100 0.433 -2.900 -4.927 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.555 -4.535 -4.234 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.545 -5.195 -3.227 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.386 -3.523 -3.817 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.077 -4.258 -2.860 1.00 0.00 H new ATOM 615 N GLU A 101 -0.623 -4.062 -7.607 1.00 0.00 N ATOM 616 CA GLU A 101 -1.668 -3.218 -8.160 1.00 0.00 C ATOM 617 C GLU A 101 -2.931 -3.306 -7.321 1.00 0.00 C ATOM 618 O GLU A 101 -3.058 -4.170 -6.453 1.00 0.00 O ATOM 619 CB GLU A 101 -1.973 -3.615 -9.604 1.00 0.00 C ATOM 620 CG GLU A 101 -2.524 -5.024 -9.746 1.00 0.00 C ATOM 621 CD GLU A 101 -2.916 -5.352 -11.172 1.00 0.00 C ATOM 622 OE1 GLU A 101 -2.017 -5.680 -11.975 1.00 0.00 O ATOM 623 OE2 GLU A 101 -4.122 -5.277 -11.488 1.00 0.00 O ATOM 0 H GLU A 101 -0.903 -5.028 -7.439 1.00 0.00 H new ATOM 0 HA GLU A 101 -1.311 -2.188 -8.147 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.691 -2.910 -10.022 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.061 -3.529 -10.195 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -1.776 -5.739 -9.404 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -3.393 -5.138 -9.098 1.00 0.00 H new ATOM 630 N LEU A 102 -3.864 -2.408 -7.588 1.00 0.00 N ATOM 631 CA LEU A 102 -5.115 -2.377 -6.856 1.00 0.00 C ATOM 632 C LEU A 102 -6.119 -3.376 -7.429 1.00 0.00 C ATOM 633 O LEU A 102 -6.269 -3.502 -8.644 1.00 0.00 O ATOM 634 CB LEU A 102 -5.703 -0.968 -6.879 1.00 0.00 C ATOM 635 CG LEU A 102 -7.139 -0.885 -6.389 1.00 0.00 C ATOM 636 CD1 LEU A 102 -7.230 -1.210 -4.908 1.00 0.00 C ATOM 637 CD2 LEU A 102 -7.728 0.471 -6.666 1.00 0.00 C ATOM 0 H LEU A 102 -3.777 -1.690 -8.308 1.00 0.00 H new ATOM 0 HA LEU A 102 -4.908 -2.662 -5.824 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -5.082 -0.317 -6.263 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.656 -0.583 -7.898 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.718 -1.627 -6.938 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -8.269 -1.143 -4.584 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.860 -2.220 -4.734 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.627 -0.500 -4.342 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -8.756 0.502 -6.305 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.141 1.234 -6.155 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.715 0.661 -7.739 1.00 0.00 H new ATOM 649 N ASP A 103 -6.816 -4.066 -6.536 1.00 0.00 N ATOM 650 CA ASP A 103 -7.822 -5.040 -6.939 1.00 0.00 C ATOM 651 C ASP A 103 -9.094 -4.296 -7.308 1.00 0.00 C ATOM 652 O ASP A 103 -9.425 -3.287 -6.688 1.00 0.00 O ATOM 653 CB ASP A 103 -8.093 -6.040 -5.811 1.00 0.00 C ATOM 654 CG ASP A 103 -9.233 -6.990 -6.132 1.00 0.00 C ATOM 655 OD1 ASP A 103 -9.147 -7.702 -7.156 1.00 0.00 O ATOM 656 OD2 ASP A 103 -10.212 -7.026 -5.358 1.00 0.00 O ATOM 0 H ASP A 103 -6.703 -3.969 -5.527 1.00 0.00 H new ATOM 0 HA ASP A 103 -7.460 -5.604 -7.799 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.189 -6.617 -5.617 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.326 -5.495 -4.896 1.00 0.00 H new ATOM 661 N LYS A 104 -9.801 -4.779 -8.316 1.00 0.00 N ATOM 662 CA LYS A 104 -11.018 -4.115 -8.762 1.00 0.00 C ATOM 663 C LYS A 104 -12.279 -4.756 -8.179 1.00 0.00 C ATOM 664 O LYS A 104 -13.388 -4.282 -8.419 1.00 0.00 O ATOM 665 CB LYS A 104 -11.068 -4.114 -10.287 1.00 0.00 C ATOM 666 CG LYS A 104 -9.731 -3.761 -10.919 1.00 0.00 C ATOM 667 CD LYS A 104 -9.876 -2.683 -11.978 1.00 0.00 C ATOM 668 CE LYS A 104 -9.512 -3.208 -13.356 1.00 0.00 C ATOM 669 NZ LYS A 104 -10.325 -4.399 -13.725 1.00 0.00 N ATOM 0 H LYS A 104 -9.558 -5.621 -8.838 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.993 -3.089 -8.396 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -11.382 -5.098 -10.637 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -11.822 -3.401 -10.621 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -9.042 -3.421 -10.146 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -9.293 -4.653 -11.366 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -10.902 -2.315 -11.987 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -9.236 -1.837 -11.728 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -9.662 -2.422 -14.096 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -8.454 -3.469 -13.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -10.391 -4.467 -14.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -9.873 -5.257 -13.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -11.279 -4.306 -13.322 1.00 0.00 H new ATOM 683 N SER A 105 -12.109 -5.831 -7.414 1.00 0.00 N ATOM 684 CA SER A 105 -13.239 -6.512 -6.794 1.00 0.00 C ATOM 685 C SER A 105 -13.573 -5.898 -5.433 1.00 0.00 C ATOM 686 O SER A 105 -14.642 -6.147 -4.877 1.00 0.00 O ATOM 687 CB SER A 105 -12.932 -8.001 -6.623 1.00 0.00 C ATOM 688 OG SER A 105 -12.686 -8.621 -7.874 1.00 0.00 O ATOM 0 H SER A 105 -11.201 -6.248 -7.210 1.00 0.00 H new ATOM 0 HA SER A 105 -14.101 -6.393 -7.450 1.00 0.00 H new ATOM 0 HB2 SER A 105 -12.063 -8.124 -5.976 1.00 0.00 H new ATOM 0 HB3 SER A 105 -13.770 -8.493 -6.129 1.00 0.00 H new ATOM 0 HG SER A 105 -12.491 -9.571 -7.735 1.00 0.00 H new ATOM 694 N ALA A 106 -12.653 -5.094 -4.902 1.00 0.00 N ATOM 695 CA ALA A 106 -12.846 -4.460 -3.605 1.00 0.00 C ATOM 696 C ALA A 106 -13.950 -3.403 -3.648 1.00 0.00 C ATOM 697 O ALA A 106 -14.824 -3.434 -4.515 1.00 0.00 O ATOM 698 CB ALA A 106 -11.537 -3.849 -3.127 1.00 0.00 C ATOM 0 H ALA A 106 -11.767 -4.868 -5.353 1.00 0.00 H new ATOM 0 HA ALA A 106 -13.162 -5.228 -2.899 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.689 -3.377 -2.156 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -10.783 -4.630 -3.036 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -11.201 -3.102 -3.846 1.00 0.00 H new ATOM 704 N ARG A 107 -13.907 -2.481 -2.690 1.00 0.00 N ATOM 705 CA ARG A 107 -14.896 -1.416 -2.594 1.00 0.00 C ATOM 706 C ARG A 107 -14.275 -0.134 -2.029 1.00 0.00 C ATOM 707 O ARG A 107 -14.620 0.972 -2.445 1.00 0.00 O ATOM 708 CB ARG A 107 -16.042 -1.868 -1.689 1.00 0.00 C ATOM 709 CG ARG A 107 -17.401 -1.889 -2.367 1.00 0.00 C ATOM 710 CD ARG A 107 -18.486 -2.339 -1.403 1.00 0.00 C ATOM 711 NE ARG A 107 -18.280 -1.789 -0.059 1.00 0.00 N ATOM 712 CZ ARG A 107 -17.984 -2.508 1.030 1.00 0.00 C ATOM 713 NH1 ARG A 107 -17.882 -3.835 0.984 1.00 0.00 N ATOM 714 NH2 ARG A 107 -17.790 -1.888 2.186 1.00 0.00 N ATOM 0 H ARG A 107 -13.191 -2.452 -1.964 1.00 0.00 H new ATOM 0 HA ARG A 107 -15.270 -1.203 -3.595 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -15.821 -2.867 -1.313 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -16.090 -1.206 -0.825 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -17.637 -0.895 -2.747 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -17.372 -2.560 -3.226 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -19.460 -2.025 -1.779 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -18.499 -3.428 -1.353 1.00 0.00 H new ATOM 0 HE ARG A 107 -18.369 -0.779 0.054 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -18.031 -4.328 0.103 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -17.655 -4.359 1.829 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -17.867 -0.872 2.239 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -17.564 -2.427 3.022 1.00 0.00 H new ATOM 728 N HIS A 108 -13.364 -0.296 -1.072 1.00 0.00 N ATOM 729 CA HIS A 108 -12.706 0.832 -0.433 1.00 0.00 C ATOM 730 C HIS A 108 -11.207 0.864 -0.729 1.00 0.00 C ATOM 731 O HIS A 108 -10.649 -0.082 -1.286 1.00 0.00 O ATOM 732 CB HIS A 108 -12.919 0.734 1.073 1.00 0.00 C ATOM 733 CG HIS A 108 -12.447 -0.571 1.645 1.00 0.00 C ATOM 734 ND1 HIS A 108 -11.140 -0.998 1.563 1.00 0.00 N ATOM 735 CD2 HIS A 108 -13.115 -1.547 2.304 1.00 0.00 C ATOM 736 CE1 HIS A 108 -11.023 -2.178 2.146 1.00 0.00 C ATOM 737 NE2 HIS A 108 -12.206 -2.532 2.606 1.00 0.00 N ATOM 0 H HIS A 108 -13.066 -1.207 -0.723 1.00 0.00 H new ATOM 0 HA HIS A 108 -13.141 1.749 -0.830 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -12.392 1.552 1.564 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -13.979 0.860 1.294 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -14.167 -1.551 2.547 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -10.113 -2.754 2.231 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -12.413 -3.397 3.105 1.00 0.00 H new ATOM 746 N LEU A 109 -10.565 1.966 -0.345 1.00 0.00 N ATOM 747 CA LEU A 109 -9.128 2.130 -0.534 1.00 0.00 C ATOM 748 C LEU A 109 -8.433 2.241 0.819 1.00 0.00 C ATOM 749 O LEU A 109 -7.982 3.315 1.215 1.00 0.00 O ATOM 750 CB LEU A 109 -8.823 3.368 -1.383 1.00 0.00 C ATOM 751 CG LEU A 109 -9.240 3.268 -2.852 1.00 0.00 C ATOM 752 CD1 LEU A 109 -8.836 4.526 -3.606 1.00 0.00 C ATOM 753 CD2 LEU A 109 -8.624 2.036 -3.499 1.00 0.00 C ATOM 0 H LEU A 109 -11.022 2.761 0.101 1.00 0.00 H new ATOM 0 HA LEU A 109 -8.751 1.254 -1.061 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -9.324 4.227 -0.937 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -7.752 3.565 -1.338 1.00 0.00 H new ATOM 0 HG LEU A 109 -10.325 3.173 -2.897 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -9.140 4.438 -4.649 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -9.324 5.391 -3.157 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -7.754 4.651 -3.552 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -8.931 1.981 -4.543 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -7.537 2.101 -3.444 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -8.961 1.142 -2.974 1.00 0.00 H new ATOM 765 N TYR A 110 -8.362 1.118 1.521 1.00 0.00 N ATOM 766 CA TYR A 110 -7.733 1.060 2.833 1.00 0.00 C ATOM 767 C TYR A 110 -6.765 -0.109 2.895 1.00 0.00 C ATOM 768 O TYR A 110 -7.164 -1.247 3.143 1.00 0.00 O ATOM 769 CB TYR A 110 -8.784 0.915 3.938 1.00 0.00 C ATOM 770 CG TYR A 110 -9.492 2.205 4.291 1.00 0.00 C ATOM 771 CD1 TYR A 110 -10.645 2.590 3.623 1.00 0.00 C ATOM 772 CD2 TYR A 110 -9.010 3.032 5.298 1.00 0.00 C ATOM 773 CE1 TYR A 110 -11.299 3.764 3.945 1.00 0.00 C ATOM 774 CE2 TYR A 110 -9.658 4.208 5.626 1.00 0.00 C ATOM 775 CZ TYR A 110 -10.802 4.569 4.947 1.00 0.00 C ATOM 776 OH TYR A 110 -11.451 5.739 5.271 1.00 0.00 O ATOM 0 H TYR A 110 -8.737 0.226 1.199 1.00 0.00 H new ATOM 0 HA TYR A 110 -7.190 1.992 2.990 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -9.526 0.180 3.625 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -8.303 0.521 4.833 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -11.038 1.961 2.838 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -8.115 2.752 5.833 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -12.195 4.049 3.414 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -9.270 4.841 6.410 1.00 0.00 H new ATOM 0 HH TYR A 110 -10.972 6.188 5.998 1.00 0.00 H new ATOM 786 N ILE A 111 -5.495 0.175 2.653 1.00 0.00 N ATOM 787 CA ILE A 111 -4.470 -0.853 2.678 1.00 0.00 C ATOM 788 C ILE A 111 -4.055 -1.173 4.106 1.00 0.00 C ATOM 789 O ILE A 111 -4.502 -0.527 5.055 1.00 0.00 O ATOM 790 CB ILE A 111 -3.227 -0.423 1.878 1.00 0.00 C ATOM 791 CG1 ILE A 111 -2.565 0.789 2.536 1.00 0.00 C ATOM 792 CG2 ILE A 111 -3.610 -0.106 0.440 1.00 0.00 C ATOM 793 CD1 ILE A 111 -1.306 1.245 1.831 1.00 0.00 C ATOM 0 H ILE A 111 -5.150 1.110 2.437 1.00 0.00 H new ATOM 0 HA ILE A 111 -4.899 -1.743 2.218 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.512 -1.246 1.873 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -3.277 1.614 2.560 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -2.325 0.545 3.571 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -2.722 0.197 -0.115 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -4.044 -0.991 -0.025 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.339 0.704 0.428 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.890 2.108 2.351 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.576 0.435 1.830 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -1.544 1.521 0.804 1.00 0.00 H new ATOM 805 N CYS A 112 -3.202 -2.177 4.255 1.00 0.00 N ATOM 806 CA CYS A 112 -2.719 -2.576 5.568 1.00 0.00 C ATOM 807 C CYS A 112 -1.496 -1.753 5.954 1.00 0.00 C ATOM 808 O CYS A 112 -1.009 -0.943 5.164 1.00 0.00 O ATOM 809 CB CYS A 112 -2.369 -4.064 5.571 1.00 0.00 C ATOM 810 SG CYS A 112 -1.145 -4.533 4.327 1.00 0.00 S ATOM 0 H CYS A 112 -2.831 -2.730 3.482 1.00 0.00 H new ATOM 0 HA CYS A 112 -3.508 -2.397 6.298 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -1.993 -4.336 6.557 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -3.279 -4.641 5.406 1.00 0.00 H new ATOM 815 N ASP A 113 -1.007 -1.956 7.171 1.00 0.00 N ATOM 816 CA ASP A 113 0.167 -1.236 7.648 1.00 0.00 C ATOM 817 C ASP A 113 1.424 -1.768 6.969 1.00 0.00 C ATOM 818 O ASP A 113 2.357 -1.018 6.683 1.00 0.00 O ATOM 819 CB ASP A 113 0.296 -1.371 9.167 1.00 0.00 C ATOM 820 CG ASP A 113 -0.685 -0.488 9.912 1.00 0.00 C ATOM 821 OD1 ASP A 113 -1.903 -0.759 9.842 1.00 0.00 O ATOM 822 OD2 ASP A 113 -0.236 0.477 10.566 1.00 0.00 O ATOM 0 H ASP A 113 -1.404 -2.612 7.844 1.00 0.00 H new ATOM 0 HA ASP A 113 0.050 -0.181 7.399 1.00 0.00 H new ATOM 0 HB2 ASP A 113 0.133 -2.411 9.452 1.00 0.00 H new ATOM 0 HB3 ASP A 113 1.312 -1.114 9.467 1.00 0.00 H new ATOM 827 N TYR A 114 1.430 -3.071 6.710 1.00 0.00 N ATOM 828 CA TYR A 114 2.559 -3.729 6.064 1.00 0.00 C ATOM 829 C TYR A 114 2.960 -3.013 4.777 1.00 0.00 C ATOM 830 O TYR A 114 4.083 -2.522 4.653 1.00 0.00 O ATOM 831 CB TYR A 114 2.200 -5.186 5.765 1.00 0.00 C ATOM 832 CG TYR A 114 3.237 -5.928 4.950 1.00 0.00 C ATOM 833 CD1 TYR A 114 4.422 -6.363 5.529 1.00 0.00 C ATOM 834 CD2 TYR A 114 3.024 -6.199 3.605 1.00 0.00 C ATOM 835 CE1 TYR A 114 5.367 -7.050 4.788 1.00 0.00 C ATOM 836 CE2 TYR A 114 3.964 -6.884 2.858 1.00 0.00 C ATOM 837 CZ TYR A 114 5.133 -7.307 3.454 1.00 0.00 C ATOM 838 OH TYR A 114 6.070 -7.991 2.714 1.00 0.00 O ATOM 0 H TYR A 114 0.658 -3.697 6.940 1.00 0.00 H new ATOM 0 HA TYR A 114 3.411 -3.693 6.743 1.00 0.00 H new ATOM 0 HB2 TYR A 114 2.051 -5.712 6.708 1.00 0.00 H new ATOM 0 HB3 TYR A 114 1.249 -5.212 5.232 1.00 0.00 H new ATOM 0 HD1 TYR A 114 4.609 -6.162 6.574 1.00 0.00 H new ATOM 0 HD2 TYR A 114 2.109 -5.869 3.135 1.00 0.00 H new ATOM 0 HE1 TYR A 114 6.283 -7.383 5.252 1.00 0.00 H new ATOM 0 HE2 TYR A 114 3.784 -7.087 1.813 1.00 0.00 H new ATOM 0 HH TYR A 114 5.751 -8.090 1.793 1.00 0.00 H new ATOM 848 N HIS A 115 2.037 -2.951 3.823 1.00 0.00 N ATOM 849 CA HIS A 115 2.305 -2.307 2.541 1.00 0.00 C ATOM 850 C HIS A 115 2.532 -0.804 2.698 1.00 0.00 C ATOM 851 O HIS A 115 3.295 -0.207 1.940 1.00 0.00 O ATOM 852 CB HIS A 115 1.160 -2.569 1.561 1.00 0.00 C ATOM 853 CG HIS A 115 1.170 -3.956 0.991 1.00 0.00 C ATOM 854 ND1 HIS A 115 0.029 -4.717 0.934 1.00 0.00 N ATOM 855 CD2 HIS A 115 2.201 -4.662 0.466 1.00 0.00 C ATOM 856 CE1 HIS A 115 0.384 -5.863 0.378 1.00 0.00 C ATOM 857 NE2 HIS A 115 1.693 -5.876 0.078 1.00 0.00 N ATOM 0 H HIS A 115 1.098 -3.338 3.913 1.00 0.00 H new ATOM 0 HA HIS A 115 3.222 -2.741 2.143 1.00 0.00 H new ATOM 0 HB2 HIS A 115 0.211 -2.400 2.069 1.00 0.00 H new ATOM 0 HB3 HIS A 115 1.218 -1.848 0.745 1.00 0.00 H new ATOM 0 HD2 HIS A 115 3.225 -4.332 0.371 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -0.292 -6.684 0.189 1.00 0.00 H new ATOM 0 HE2 HIS A 115 2.210 -6.641 -0.355 1.00 0.00 H new ATOM 865 N LYS A 116 1.872 -0.191 3.678 1.00 0.00 N ATOM 866 CA LYS A 116 2.025 1.244 3.906 1.00 0.00 C ATOM 867 C LYS A 116 3.477 1.591 4.219 1.00 0.00 C ATOM 868 O LYS A 116 4.081 2.438 3.563 1.00 0.00 O ATOM 869 CB LYS A 116 1.136 1.706 5.063 1.00 0.00 C ATOM 870 CG LYS A 116 1.312 3.179 5.407 1.00 0.00 C ATOM 871 CD LYS A 116 0.802 3.503 6.806 1.00 0.00 C ATOM 872 CE LYS A 116 1.505 2.675 7.873 1.00 0.00 C ATOM 873 NZ LYS A 116 2.981 2.654 7.688 1.00 0.00 N ATOM 0 H LYS A 116 1.233 -0.659 4.321 1.00 0.00 H new ATOM 0 HA LYS A 116 1.723 1.757 2.993 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.093 1.522 4.806 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.358 1.105 5.945 1.00 0.00 H new ATOM 0 HG2 LYS A 116 2.367 3.445 5.335 1.00 0.00 H new ATOM 0 HG3 LYS A 116 0.779 3.788 4.677 1.00 0.00 H new ATOM 0 HD2 LYS A 116 0.953 4.563 7.011 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -0.271 3.319 6.853 1.00 0.00 H new ATOM 0 HE2 LYS A 116 1.270 3.080 8.857 1.00 0.00 H new ATOM 0 HE3 LYS A 116 1.123 1.654 7.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 3.448 2.742 8.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 3.262 1.758 7.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 3.266 3.448 7.080 1.00 0.00 H new ATOM 887 N ASN A 117 4.029 0.917 5.221 1.00 0.00 N ATOM 888 CA ASN A 117 5.406 1.148 5.642 1.00 0.00 C ATOM 889 C ASN A 117 6.381 0.636 4.590 1.00 0.00 C ATOM 890 O ASN A 117 7.418 1.247 4.332 1.00 0.00 O ATOM 891 CB ASN A 117 5.657 0.453 6.988 1.00 0.00 C ATOM 892 CG ASN A 117 7.126 0.382 7.361 1.00 0.00 C ATOM 893 OD1 ASN A 117 7.646 1.250 8.063 1.00 0.00 O ATOM 894 ND2 ASN A 117 7.805 -0.657 6.887 1.00 0.00 N ATOM 0 H ASN A 117 3.541 0.202 5.760 1.00 0.00 H new ATOM 0 HA ASN A 117 5.565 2.220 5.758 1.00 0.00 H new ATOM 0 HB2 ASN A 117 5.116 0.985 7.770 1.00 0.00 H new ATOM 0 HB3 ASN A 117 5.250 -0.557 6.949 1.00 0.00 H new ATOM 0 HD21 ASN A 117 8.797 -0.759 7.101 1.00 0.00 H new ATOM 0 HD22 ASN A 117 7.334 -1.353 6.309 1.00 0.00 H new ATOM 901 N LEU A 118 6.033 -0.490 3.988 1.00 0.00 N ATOM 902 CA LEU A 118 6.866 -1.114 2.972 1.00 0.00 C ATOM 903 C LEU A 118 7.092 -0.189 1.777 1.00 0.00 C ATOM 904 O LEU A 118 8.212 -0.051 1.291 1.00 0.00 O ATOM 905 CB LEU A 118 6.203 -2.417 2.509 1.00 0.00 C ATOM 906 CG LEU A 118 7.087 -3.357 1.688 1.00 0.00 C ATOM 907 CD1 LEU A 118 6.393 -4.698 1.494 1.00 0.00 C ATOM 908 CD2 LEU A 118 7.429 -2.737 0.342 1.00 0.00 C ATOM 0 H LEU A 118 5.170 -0.995 4.188 1.00 0.00 H new ATOM 0 HA LEU A 118 7.841 -1.324 3.411 1.00 0.00 H new ATOM 0 HB2 LEU A 118 5.850 -2.956 3.388 1.00 0.00 H new ATOM 0 HB3 LEU A 118 5.324 -2.165 1.916 1.00 0.00 H new ATOM 0 HG LEU A 118 8.016 -3.519 2.234 1.00 0.00 H new ATOM 0 HD11 LEU A 118 7.033 -5.358 0.908 1.00 0.00 H new ATOM 0 HD12 LEU A 118 6.198 -5.151 2.466 1.00 0.00 H new ATOM 0 HD13 LEU A 118 5.450 -4.547 0.969 1.00 0.00 H new ATOM 0 HD21 LEU A 118 8.058 -3.423 -0.225 1.00 0.00 H new ATOM 0 HD22 LEU A 118 6.511 -2.543 -0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 118 7.963 -1.800 0.498 1.00 0.00 H new ATOM 920 N ILE A 119 6.026 0.462 1.324 1.00 0.00 N ATOM 921 CA ILE A 119 6.097 1.342 0.159 1.00 0.00 C ATOM 922 C ILE A 119 6.596 2.750 0.492 1.00 0.00 C ATOM 923 O ILE A 119 7.393 3.321 -0.251 1.00 0.00 O ATOM 924 CB ILE A 119 4.716 1.445 -0.516 1.00 0.00 C ATOM 925 CG1 ILE A 119 4.219 0.050 -0.894 1.00 0.00 C ATOM 926 CG2 ILE A 119 4.778 2.345 -1.742 1.00 0.00 C ATOM 927 CD1 ILE A 119 2.801 0.031 -1.423 1.00 0.00 C ATOM 0 H ILE A 119 5.100 0.398 1.746 1.00 0.00 H new ATOM 0 HA ILE A 119 6.823 0.891 -0.517 1.00 0.00 H new ATOM 0 HB ILE A 119 4.014 1.890 0.189 1.00 0.00 H new ATOM 0 HG12 ILE A 119 4.884 -0.371 -1.648 1.00 0.00 H new ATOM 0 HG13 ILE A 119 4.279 -0.597 -0.019 1.00 0.00 H new ATOM 0 HG21 ILE A 119 3.791 2.402 -2.202 1.00 0.00 H new ATOM 0 HG22 ILE A 119 5.098 3.344 -1.445 1.00 0.00 H new ATOM 0 HG23 ILE A 119 5.489 1.935 -2.459 1.00 0.00 H new ATOM 0 HD11 ILE A 119 2.518 -0.992 -1.670 1.00 0.00 H new ATOM 0 HD12 ILE A 119 2.124 0.421 -0.663 1.00 0.00 H new ATOM 0 HD13 ILE A 119 2.738 0.651 -2.318 1.00 0.00 H new ATOM 939 N GLN A 120 6.130 3.303 1.602 1.00 0.00 N ATOM 940 CA GLN A 120 6.509 4.659 2.000 1.00 0.00 C ATOM 941 C GLN A 120 8.001 4.810 2.304 1.00 0.00 C ATOM 942 O GLN A 120 8.591 5.851 2.010 1.00 0.00 O ATOM 943 CB GLN A 120 5.715 5.087 3.239 1.00 0.00 C ATOM 944 CG GLN A 120 4.507 5.948 2.935 1.00 0.00 C ATOM 945 CD GLN A 120 3.976 6.650 4.171 1.00 0.00 C ATOM 946 OE1 GLN A 120 4.735 6.990 5.079 1.00 0.00 O ATOM 947 NE2 GLN A 120 2.667 6.869 4.215 1.00 0.00 N ATOM 0 H GLN A 120 5.489 2.838 2.245 1.00 0.00 H new ATOM 0 HA GLN A 120 6.279 5.296 1.146 1.00 0.00 H new ATOM 0 HB2 GLN A 120 5.386 4.195 3.772 1.00 0.00 H new ATOM 0 HB3 GLN A 120 6.377 5.634 3.910 1.00 0.00 H new ATOM 0 HG2 GLN A 120 4.773 6.691 2.183 1.00 0.00 H new ATOM 0 HG3 GLN A 120 3.720 5.328 2.506 1.00 0.00 H new ATOM 0 HE21 GLN A 120 2.074 6.571 3.441 1.00 0.00 H new ATOM 0 HE22 GLN A 120 2.255 7.335 5.023 1.00 0.00 H new ATOM 956 N SER A 121 8.617 3.778 2.875 1.00 0.00 N ATOM 957 CA SER A 121 10.022 3.869 3.280 1.00 0.00 C ATOM 958 C SER A 121 11.016 3.302 2.263 1.00 0.00 C ATOM 959 O SER A 121 12.048 2.757 2.651 1.00 0.00 O ATOM 960 CB SER A 121 10.218 3.167 4.622 1.00 0.00 C ATOM 961 OG SER A 121 10.036 1.769 4.497 1.00 0.00 O ATOM 0 H SER A 121 8.175 2.879 3.067 1.00 0.00 H new ATOM 0 HA SER A 121 10.239 4.935 3.354 1.00 0.00 H new ATOM 0 HB2 SER A 121 11.219 3.374 5.002 1.00 0.00 H new ATOM 0 HB3 SER A 121 9.512 3.565 5.351 1.00 0.00 H new ATOM 0 HG SER A 121 9.093 1.577 4.309 1.00 0.00 H new ATOM 967 N VAL A 122 10.732 3.438 0.977 1.00 0.00 N ATOM 968 CA VAL A 122 11.657 2.956 -0.044 1.00 0.00 C ATOM 969 C VAL A 122 12.001 4.076 -1.018 1.00 0.00 C ATOM 970 O VAL A 122 11.120 4.810 -1.467 1.00 0.00 O ATOM 971 CB VAL A 122 11.099 1.748 -0.820 1.00 0.00 C ATOM 972 CG1 VAL A 122 12.096 1.285 -1.874 1.00 0.00 C ATOM 973 CG2 VAL A 122 10.761 0.613 0.133 1.00 0.00 C ATOM 0 H VAL A 122 9.882 3.871 0.616 1.00 0.00 H new ATOM 0 HA VAL A 122 12.558 2.627 0.475 1.00 0.00 H new ATOM 0 HB VAL A 122 10.183 2.055 -1.325 1.00 0.00 H new ATOM 0 HG11 VAL A 122 11.686 0.431 -2.413 1.00 0.00 H new ATOM 0 HG12 VAL A 122 12.288 2.098 -2.575 1.00 0.00 H new ATOM 0 HG13 VAL A 122 13.029 0.995 -1.390 1.00 0.00 H new ATOM 0 HG21 VAL A 122 10.368 -0.232 -0.432 1.00 0.00 H new ATOM 0 HG22 VAL A 122 11.660 0.306 0.667 1.00 0.00 H new ATOM 0 HG23 VAL A 122 10.012 0.950 0.849 1.00 0.00 H new ATOM 983 N ARG A 123 13.285 4.202 -1.351 1.00 0.00 N ATOM 984 CA ARG A 123 13.741 5.244 -2.249 1.00 0.00 C ATOM 985 C ARG A 123 13.147 6.601 -1.875 1.00 0.00 C ATOM 986 O ARG A 123 12.670 7.345 -2.731 1.00 0.00 O ATOM 987 CB ARG A 123 13.370 4.846 -3.662 1.00 0.00 C ATOM 988 CG ARG A 123 14.230 3.713 -4.187 1.00 0.00 C ATOM 989 CD ARG A 123 13.732 3.200 -5.526 1.00 0.00 C ATOM 990 NE ARG A 123 12.958 1.970 -5.371 1.00 0.00 N ATOM 991 CZ ARG A 123 13.488 0.747 -5.370 1.00 0.00 C ATOM 992 NH1 ARG A 123 14.791 0.574 -5.557 1.00 0.00 N ATOM 993 NH2 ARG A 123 12.711 -0.313 -5.186 1.00 0.00 N ATOM 0 H ARG A 123 14.025 3.589 -1.007 1.00 0.00 H new ATOM 0 HA ARG A 123 14.823 5.351 -2.171 1.00 0.00 H new ATOM 0 HB2 ARG A 123 12.322 4.546 -3.689 1.00 0.00 H new ATOM 0 HB3 ARG A 123 13.471 5.710 -4.319 1.00 0.00 H new ATOM 0 HG2 ARG A 123 15.260 4.056 -4.289 1.00 0.00 H new ATOM 0 HG3 ARG A 123 14.236 2.897 -3.465 1.00 0.00 H new ATOM 0 HD2 ARG A 123 13.116 3.962 -6.003 1.00 0.00 H new ATOM 0 HD3 ARG A 123 14.580 3.017 -6.186 1.00 0.00 H new ATOM 0 HE ARG A 123 11.948 2.053 -5.256 1.00 0.00 H new ATOM 0 HH11 ARG A 123 15.397 1.381 -5.703 1.00 0.00 H new ATOM 0 HH12 ARG A 123 15.186 -0.366 -5.554 1.00 0.00 H new ATOM 0 HH21 ARG A 123 11.708 -0.192 -5.045 1.00 0.00 H new ATOM 0 HH22 ARG A 123 13.117 -1.249 -5.185 1.00 0.00 H new ATOM 1007 N ASN A 124 13.194 6.909 -0.582 1.00 0.00 N ATOM 1008 CA ASN A 124 12.667 8.167 -0.067 1.00 0.00 C ATOM 1009 C ASN A 124 13.498 8.639 1.125 1.00 0.00 C ATOM 1010 O ASN A 124 13.388 8.094 2.223 1.00 0.00 O ATOM 1011 CB ASN A 124 11.202 7.990 0.342 1.00 0.00 C ATOM 1012 CG ASN A 124 10.483 9.312 0.525 1.00 0.00 C ATOM 1013 OD1 ASN A 124 10.333 9.803 1.644 1.00 0.00 O ATOM 1014 ND2 ASN A 124 10.033 9.896 -0.579 1.00 0.00 N ATOM 0 H ASN A 124 13.594 6.300 0.131 1.00 0.00 H new ATOM 0 HA ASN A 124 12.725 8.923 -0.850 1.00 0.00 H new ATOM 0 HB2 ASN A 124 10.686 7.402 -0.417 1.00 0.00 H new ATOM 0 HB3 ASN A 124 11.154 7.423 1.272 1.00 0.00 H new ATOM 0 HD21 ASN A 124 9.541 10.787 -0.520 1.00 0.00 H new ATOM 0 HD22 ASN A 124 10.180 9.453 -1.486 1.00 0.00 H new ATOM 1021 N ARG A 125 14.338 9.647 0.901 1.00 0.00 N ATOM 1022 CA ARG A 125 15.190 10.180 1.961 1.00 0.00 C ATOM 1023 C ARG A 125 14.381 10.988 2.963 1.00 0.00 C ATOM 1024 O ARG A 125 14.774 11.131 4.122 1.00 0.00 O ATOM 1025 CB ARG A 125 16.299 11.056 1.377 1.00 0.00 C ATOM 1026 CG ARG A 125 17.422 10.268 0.724 1.00 0.00 C ATOM 1027 CD ARG A 125 18.661 11.127 0.532 1.00 0.00 C ATOM 1028 NE ARG A 125 18.350 12.402 -0.110 1.00 0.00 N ATOM 1029 CZ ARG A 125 19.265 13.188 -0.668 1.00 0.00 C ATOM 1030 NH1 ARG A 125 20.541 12.825 -0.673 1.00 0.00 N ATOM 1031 NH2 ARG A 125 18.905 14.336 -1.224 1.00 0.00 N ATOM 0 H ARG A 125 14.447 10.110 -0.002 1.00 0.00 H new ATOM 0 HA ARG A 125 15.638 9.331 2.476 1.00 0.00 H new ATOM 0 HB2 ARG A 125 15.865 11.732 0.640 1.00 0.00 H new ATOM 0 HB3 ARG A 125 16.716 11.676 2.171 1.00 0.00 H new ATOM 0 HG2 ARG A 125 17.668 9.403 1.340 1.00 0.00 H new ATOM 0 HG3 ARG A 125 17.088 9.887 -0.241 1.00 0.00 H new ATOM 0 HD2 ARG A 125 19.127 11.313 1.500 1.00 0.00 H new ATOM 0 HD3 ARG A 125 19.388 10.585 -0.073 1.00 0.00 H new ATOM 0 HE ARG A 125 17.377 12.706 -0.131 1.00 0.00 H new ATOM 0 HH11 ARG A 125 20.821 11.941 -0.248 1.00 0.00 H new ATOM 0 HH12 ARG A 125 21.242 13.430 -1.102 1.00 0.00 H new ATOM 0 HH21 ARG A 125 17.925 14.617 -1.224 1.00 0.00 H new ATOM 0 HH22 ARG A 125 19.608 14.938 -1.652 1.00 0.00 H new ATOM 1045 N ARG A 126 13.256 11.527 2.511 1.00 0.00 N ATOM 1046 CA ARG A 126 12.399 12.328 3.372 1.00 0.00 C ATOM 1047 C ARG A 126 13.242 13.403 4.092 1.00 0.00 C ATOM 1048 O ARG A 126 13.892 14.209 3.426 1.00 0.00 O ATOM 1049 CB ARG A 126 11.635 11.403 4.335 1.00 0.00 C ATOM 1050 CG ARG A 126 10.255 11.924 4.705 1.00 0.00 C ATOM 1051 CD ARG A 126 9.898 11.612 6.147 1.00 0.00 C ATOM 1052 NE ARG A 126 10.728 12.369 7.084 1.00 0.00 N ATOM 1053 CZ ARG A 126 10.374 13.524 7.651 1.00 0.00 C ATOM 1054 NH1 ARG A 126 9.190 14.076 7.401 1.00 0.00 N ATOM 1055 NH2 ARG A 126 11.213 14.131 8.476 1.00 0.00 N ATOM 0 H ARG A 126 12.917 11.424 1.555 1.00 0.00 H new ATOM 0 HA ARG A 126 11.651 12.862 2.786 1.00 0.00 H new ATOM 0 HB2 ARG A 126 11.533 10.419 3.878 1.00 0.00 H new ATOM 0 HB3 ARG A 126 12.222 11.273 5.244 1.00 0.00 H new ATOM 0 HG2 ARG A 126 10.220 13.002 4.548 1.00 0.00 H new ATOM 0 HG3 ARG A 126 9.511 11.481 4.043 1.00 0.00 H new ATOM 0 HD2 ARG A 126 8.847 11.845 6.321 1.00 0.00 H new ATOM 0 HD3 ARG A 126 10.022 10.545 6.330 1.00 0.00 H new ATOM 0 HE ARG A 126 11.643 11.986 7.321 1.00 0.00 H new ATOM 0 HH11 ARG A 126 8.536 13.616 6.767 1.00 0.00 H new ATOM 0 HH12 ARG A 126 8.936 14.959 7.843 1.00 0.00 H new ATOM 0 HH21 ARG A 126 12.123 13.716 8.675 1.00 0.00 H new ATOM 0 HH22 ARG A 126 10.949 15.014 8.913 1.00 0.00 H new ATOM 1069 N LYS A 127 13.232 13.444 5.430 1.00 0.00 N ATOM 1070 CA LYS A 127 14.023 14.429 6.171 1.00 0.00 C ATOM 1071 C LYS A 127 13.395 15.822 6.109 1.00 0.00 C ATOM 1072 O LYS A 127 13.902 16.764 6.717 1.00 0.00 O ATOM 1073 CB LYS A 127 15.460 14.477 5.644 1.00 0.00 C ATOM 1074 CG LYS A 127 16.503 14.611 6.741 1.00 0.00 C ATOM 1075 CD LYS A 127 17.382 15.834 6.533 1.00 0.00 C ATOM 1076 CE LYS A 127 18.393 15.990 7.657 1.00 0.00 C ATOM 1077 NZ LYS A 127 17.777 15.763 8.993 1.00 0.00 N ATOM 0 H LYS A 127 12.689 12.811 6.016 1.00 0.00 H new ATOM 0 HA LYS A 127 14.037 14.113 7.214 1.00 0.00 H new ATOM 0 HB2 LYS A 127 15.660 13.571 5.072 1.00 0.00 H new ATOM 0 HB3 LYS A 127 15.558 15.316 4.955 1.00 0.00 H new ATOM 0 HG2 LYS A 127 16.007 14.680 7.709 1.00 0.00 H new ATOM 0 HG3 LYS A 127 17.124 13.716 6.764 1.00 0.00 H new ATOM 0 HD2 LYS A 127 17.905 15.750 5.581 1.00 0.00 H new ATOM 0 HD3 LYS A 127 16.759 16.726 6.476 1.00 0.00 H new ATOM 0 HE2 LYS A 127 19.211 15.285 7.510 1.00 0.00 H new ATOM 0 HE3 LYS A 127 18.824 16.990 7.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 18.346 16.238 9.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 16.812 16.150 9.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 17.743 14.743 9.191 1.00 0.00 H new ATOM 1091 N ARG A 128 12.293 15.950 5.377 1.00 0.00 N ATOM 1092 CA ARG A 128 11.602 17.216 5.262 1.00 0.00 C ATOM 1093 C ARG A 128 10.630 17.359 6.420 1.00 0.00 C ATOM 1094 O ARG A 128 10.271 16.373 7.062 1.00 0.00 O ATOM 1095 CB ARG A 128 10.853 17.293 3.932 1.00 0.00 C ATOM 1096 CG ARG A 128 9.958 16.091 3.685 1.00 0.00 C ATOM 1097 CD ARG A 128 8.502 16.493 3.530 1.00 0.00 C ATOM 1098 NE ARG A 128 7.605 15.368 3.799 1.00 0.00 N ATOM 1099 CZ ARG A 128 6.547 15.039 3.055 1.00 0.00 C ATOM 1100 NH1 ARG A 128 6.202 15.754 1.990 1.00 0.00 N ATOM 1101 NH2 ARG A 128 5.818 13.983 3.389 1.00 0.00 N ATOM 0 H ARG A 128 11.863 15.186 4.855 1.00 0.00 H new ATOM 0 HA ARG A 128 12.328 18.029 5.293 1.00 0.00 H new ATOM 0 HB2 ARG A 128 10.248 18.199 3.914 1.00 0.00 H new ATOM 0 HB3 ARG A 128 11.575 17.375 3.119 1.00 0.00 H new ATOM 0 HG2 ARG A 128 10.289 15.570 2.786 1.00 0.00 H new ATOM 0 HG3 ARG A 128 10.055 15.390 4.514 1.00 0.00 H new ATOM 0 HD2 ARG A 128 8.275 17.312 4.212 1.00 0.00 H new ATOM 0 HD3 ARG A 128 8.331 16.863 2.519 1.00 0.00 H new ATOM 0 HE ARG A 128 7.804 14.792 4.617 1.00 0.00 H new ATOM 0 HH11 ARG A 128 6.750 16.573 1.726 1.00 0.00 H new ATOM 0 HH12 ARG A 128 5.389 15.484 1.436 1.00 0.00 H new ATOM 0 HH21 ARG A 128 6.068 13.430 4.209 1.00 0.00 H new ATOM 0 HH22 ARG A 128 5.008 13.724 2.826 1.00 0.00 H new ATOM 1115 N LYS A 129 10.218 18.581 6.691 1.00 0.00 N ATOM 1116 CA LYS A 129 9.280 18.843 7.780 1.00 0.00 C ATOM 1117 C LYS A 129 8.106 19.701 7.315 1.00 0.00 C ATOM 1118 O LYS A 129 7.020 19.639 7.890 1.00 0.00 O ATOM 1119 CB LYS A 129 9.982 19.514 8.971 1.00 0.00 C ATOM 1120 CG LYS A 129 11.302 20.201 8.634 1.00 0.00 C ATOM 1121 CD LYS A 129 11.379 21.590 9.241 1.00 0.00 C ATOM 1122 CE LYS A 129 10.612 22.602 8.404 1.00 0.00 C ATOM 1123 NZ LYS A 129 11.123 23.986 8.602 1.00 0.00 N ATOM 0 H LYS A 129 10.513 19.411 6.177 1.00 0.00 H new ATOM 0 HA LYS A 129 8.891 17.878 8.104 1.00 0.00 H new ATOM 0 HB2 LYS A 129 9.306 20.251 9.405 1.00 0.00 H new ATOM 0 HB3 LYS A 129 10.166 18.761 9.737 1.00 0.00 H new ATOM 0 HG2 LYS A 129 12.132 19.596 9.001 1.00 0.00 H new ATOM 0 HG3 LYS A 129 11.411 20.270 7.552 1.00 0.00 H new ATOM 0 HD2 LYS A 129 10.974 21.570 10.253 1.00 0.00 H new ATOM 0 HD3 LYS A 129 12.422 21.897 9.321 1.00 0.00 H new ATOM 0 HE2 LYS A 129 10.688 22.334 7.350 1.00 0.00 H new ATOM 0 HE3 LYS A 129 9.555 22.564 8.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 10.574 24.646 8.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 11.027 24.252 9.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 12.125 24.029 8.327 1.00 0.00 H new ATOM 1137 N GLY A 130 8.331 20.504 6.282 1.00 0.00 N ATOM 1138 CA GLY A 130 7.286 21.354 5.759 1.00 0.00 C ATOM 1139 C GLY A 130 7.759 22.148 4.562 1.00 0.00 C ATOM 1140 O GLY A 130 8.956 22.382 4.399 1.00 0.00 O ATOM 0 H GLY A 130 9.225 20.579 5.797 1.00 0.00 H new ATOM 0 HA2 GLY A 130 6.428 20.744 5.475 1.00 0.00 H new ATOM 0 HA3 GLY A 130 6.948 22.037 6.538 1.00 0.00 H new ATOM 1144 N SER A 131 6.823 22.558 3.718 1.00 0.00 N ATOM 1145 CA SER A 131 7.157 23.330 2.530 1.00 0.00 C ATOM 1146 C SER A 131 7.074 24.824 2.823 1.00 0.00 C ATOM 1147 O SER A 131 6.022 25.426 2.521 1.00 0.00 O ATOM 1148 CB SER A 131 6.214 22.969 1.382 1.00 0.00 C ATOM 1149 OG SER A 131 6.000 21.570 1.320 1.00 0.00 O ATOM 1150 OXT SER A 131 8.058 25.379 3.356 1.00 0.00 O ATOM 0 H SER A 131 5.827 22.369 3.834 1.00 0.00 H new ATOM 0 HA SER A 131 8.179 23.088 2.238 1.00 0.00 H new ATOM 0 HB2 SER A 131 5.261 23.480 1.515 1.00 0.00 H new ATOM 0 HB3 SER A 131 6.634 23.318 0.439 1.00 0.00 H new ATOM 0 HG SER A 131 5.392 21.365 0.579 1.00 0.00 H new TER 1156 SER A 131 HETATM 1157 ZN ZN A 1 -1.368 -5.373 2.191 1.00 0.00 ZN