USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=19 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 121 SER OG : rot -59:sc= 0.215 USER MOD Set 1.2: A 124 ASN : amide:sc= -2.06! K(o=-1.8!,f=-0.44) USER MOD Set 2.1: A 91 LYS NZ :NH3+ -112:sc= -0.595 (180deg=-1.14) USER MOD Set 2.2: A 95 GLN : amide:sc= -1.37 X(o=-2,f=-1.6) USER MOD Set 3.1: A 68 CYS SG : rot 170:sc= -0.691 USER MOD Set 3.2: A 108 HIS : no HD1:sc= -0.778 X(o=-1.5,f=-1.9) USER MOD Single : A 61 SER OG : rot 180:sc= 0.598 USER MOD Single : A 62 ASN : amide:sc= -0.257 X(o=-0.26,f=-0.016) USER MOD Single : A 65 GLN : amide:sc= -0.359 X(o=-0.36,f=0) USER MOD Single : A 82 ASN : amide:sc= -0.751 K(o=-0.75,f=-0.013) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -160:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 153:sc= -0.0851 (180deg=-0.487) USER MOD Single : A 90 GLN : amide:sc= -0.64 X(o=-0.64,f=-0.14) USER MOD Single : A 92 SER OG : rot 178:sc= 0.0278 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 159:sc= -0.416 (180deg=-1.13) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 163:sc= -0.148 (180deg=-0.544) USER MOD Single : A 104 LYS NZ :NH3+ 165:sc= -0.0163 (180deg=-0.221) USER MOD Single : A 105 SER OG : rot -106:sc= 1.22 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+ 159:sc= -0.0698 (180deg=-0.371) USER MOD Single : A 117 ASN : amide:sc= -0.0523 K(o=-0.052,f=-1.2!) USER MOD Single : A 120 GLN : amide:sc= -0.898 K(o=-0.9,f=-0.051) USER MOD Single : A 127 LYS NZ :NH3+ -150:sc= -0.0978 (180deg=-0.627) USER MOD Single : A 129 LYS NZ :NH3+ -158:sc= -0.235 (180deg=-0.867) USER MOD Single : A 131 SER OG : rot 55:sc= 0.0438 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 61 -15.784 -6.198 11.127 1.00 0.00 N ATOM 2 CA SER A 61 -17.056 -5.443 11.014 1.00 0.00 C ATOM 3 C SER A 61 -16.873 -4.145 10.222 1.00 0.00 C ATOM 4 O SER A 61 -17.082 -4.128 9.012 1.00 0.00 O ATOM 5 CB SER A 61 -17.636 -5.150 12.402 1.00 0.00 C ATOM 6 OG SER A 61 -16.843 -4.218 13.113 1.00 0.00 O ATOM 0 HA SER A 61 -17.762 -6.068 10.466 1.00 0.00 H new ATOM 0 HB2 SER A 61 -18.649 -4.762 12.299 1.00 0.00 H new ATOM 0 HB3 SER A 61 -17.706 -6.077 12.971 1.00 0.00 H new ATOM 0 HG SER A 61 -17.242 -4.053 13.993 1.00 0.00 H new ATOM 14 N ASN A 62 -16.485 -3.059 10.895 1.00 0.00 N ATOM 15 CA ASN A 62 -16.299 -1.777 10.208 1.00 0.00 C ATOM 16 C ASN A 62 -14.835 -1.348 10.213 1.00 0.00 C ATOM 17 O ASN A 62 -14.383 -0.638 9.314 1.00 0.00 O ATOM 18 CB ASN A 62 -17.156 -0.684 10.847 1.00 0.00 C ATOM 19 CG ASN A 62 -17.595 0.388 9.853 1.00 0.00 C ATOM 20 OD1 ASN A 62 -18.576 1.091 10.090 1.00 0.00 O ATOM 21 ND2 ASN A 62 -16.881 0.524 8.735 1.00 0.00 N ATOM 0 H ASN A 62 -16.296 -3.039 11.897 1.00 0.00 H new ATOM 0 HA ASN A 62 -16.615 -1.918 9.175 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -18.039 -1.139 11.296 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -16.594 -0.215 11.654 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -17.143 1.228 8.045 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -16.073 -0.076 8.570 1.00 0.00 H new ATOM 28 N ALA A 63 -14.105 -1.764 11.239 1.00 0.00 N ATOM 29 CA ALA A 63 -12.688 -1.442 11.347 1.00 0.00 C ATOM 30 C ALA A 63 -11.854 -2.711 11.236 1.00 0.00 C ATOM 31 O ALA A 63 -10.748 -2.792 11.768 1.00 0.00 O ATOM 32 CB ALA A 63 -12.401 -0.724 12.656 1.00 0.00 C ATOM 0 H ALA A 63 -14.470 -2.325 12.008 1.00 0.00 H new ATOM 0 HA ALA A 63 -12.418 -0.775 10.529 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.338 -0.492 12.718 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.977 0.200 12.698 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -12.682 -1.365 13.492 1.00 0.00 H new ATOM 38 N GLY A 64 -12.402 -3.702 10.536 1.00 0.00 N ATOM 39 CA GLY A 64 -11.710 -4.964 10.358 1.00 0.00 C ATOM 40 C GLY A 64 -11.922 -5.536 8.970 1.00 0.00 C ATOM 41 O GLY A 64 -12.629 -6.530 8.800 1.00 0.00 O ATOM 0 H GLY A 64 -13.317 -3.651 10.088 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.644 -4.821 10.532 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.061 -5.679 11.102 1.00 0.00 H new ATOM 45 N GLN A 65 -11.307 -4.902 7.978 1.00 0.00 N ATOM 46 CA GLN A 65 -11.430 -5.339 6.594 1.00 0.00 C ATOM 47 C GLN A 65 -10.180 -6.098 6.153 1.00 0.00 C ATOM 48 O GLN A 65 -9.421 -6.600 6.984 1.00 0.00 O ATOM 49 CB GLN A 65 -11.653 -4.130 5.683 1.00 0.00 C ATOM 50 CG GLN A 65 -12.739 -3.185 6.170 1.00 0.00 C ATOM 51 CD GLN A 65 -14.109 -3.834 6.196 1.00 0.00 C ATOM 52 OE1 GLN A 65 -14.797 -3.893 5.177 1.00 0.00 O ATOM 53 NE2 GLN A 65 -14.517 -4.313 7.364 1.00 0.00 N ATOM 0 H GLN A 65 -10.716 -4.081 8.108 1.00 0.00 H new ATOM 0 HA GLN A 65 -12.286 -6.010 6.519 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.718 -3.578 5.593 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -11.912 -4.482 4.685 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -12.488 -2.835 7.171 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -12.769 -2.308 5.523 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -13.913 -4.242 8.183 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -15.434 -4.752 7.443 1.00 0.00 H new ATOM 62 N LEU A 66 -9.974 -6.181 4.842 1.00 0.00 N ATOM 63 CA LEU A 66 -8.816 -6.869 4.290 1.00 0.00 C ATOM 64 C LEU A 66 -8.068 -5.964 3.313 1.00 0.00 C ATOM 65 O LEU A 66 -8.675 -5.137 2.633 1.00 0.00 O ATOM 66 CB LEU A 66 -9.254 -8.151 3.578 1.00 0.00 C ATOM 67 CG LEU A 66 -10.268 -9.004 4.342 1.00 0.00 C ATOM 68 CD1 LEU A 66 -10.732 -10.172 3.487 1.00 0.00 C ATOM 69 CD2 LEU A 66 -9.671 -9.502 5.649 1.00 0.00 C ATOM 0 H LEU A 66 -10.597 -5.778 4.142 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.146 -7.126 5.111 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.682 -7.883 2.612 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.370 -8.757 3.378 1.00 0.00 H new ATOM 0 HG LEU A 66 -11.133 -8.383 4.576 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -11.453 -10.768 4.046 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -11.201 -9.794 2.578 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.876 -10.792 3.223 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.407 -10.107 6.178 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.788 -10.106 5.439 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.389 -8.650 6.268 1.00 0.00 H new ATOM 81 N CYS A 67 -6.752 -6.124 3.255 1.00 0.00 N ATOM 82 CA CYS A 67 -5.918 -5.330 2.359 1.00 0.00 C ATOM 83 C CYS A 67 -6.424 -5.432 0.918 1.00 0.00 C ATOM 84 O CYS A 67 -6.865 -6.496 0.483 1.00 0.00 O ATOM 85 CB CYS A 67 -4.467 -5.804 2.454 1.00 0.00 C ATOM 86 SG CYS A 67 -3.358 -5.080 1.225 1.00 0.00 S ATOM 0 H CYS A 67 -6.237 -6.799 3.820 1.00 0.00 H new ATOM 0 HA CYS A 67 -5.971 -4.284 2.660 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -4.087 -5.572 3.449 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.445 -6.889 2.350 1.00 0.00 H new ATOM 91 N CYS A 68 -6.353 -4.323 0.180 1.00 0.00 N ATOM 92 CA CYS A 68 -6.826 -4.292 -1.204 1.00 0.00 C ATOM 93 C CYS A 68 -5.671 -4.253 -2.206 1.00 0.00 C ATOM 94 O CYS A 68 -5.758 -3.591 -3.239 1.00 0.00 O ATOM 95 CB CYS A 68 -7.747 -3.091 -1.421 1.00 0.00 C ATOM 96 SG CYS A 68 -9.343 -3.236 -0.582 1.00 0.00 S ATOM 0 H CYS A 68 -5.974 -3.438 0.516 1.00 0.00 H new ATOM 0 HA CYS A 68 -7.381 -5.214 -1.378 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -7.243 -2.190 -1.071 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -7.919 -2.965 -2.490 1.00 0.00 H new ATOM 0 HG CYS A 68 -9.969 -2.098 -0.641 1.00 0.00 H new ATOM 102 N LEU A 69 -4.596 -4.963 -1.892 1.00 0.00 N ATOM 103 CA LEU A 69 -3.440 -5.037 -2.775 1.00 0.00 C ATOM 104 C LEU A 69 -3.059 -6.493 -3.009 1.00 0.00 C ATOM 105 O LEU A 69 -3.438 -7.371 -2.234 1.00 0.00 O ATOM 106 CB LEU A 69 -2.254 -4.280 -2.181 1.00 0.00 C ATOM 107 CG LEU A 69 -2.547 -2.839 -1.769 1.00 0.00 C ATOM 108 CD1 LEU A 69 -1.364 -2.253 -1.013 1.00 0.00 C ATOM 109 CD2 LEU A 69 -2.876 -1.989 -2.988 1.00 0.00 C ATOM 0 H LEU A 69 -4.500 -5.498 -1.029 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.703 -4.574 -3.726 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.895 -4.825 -1.308 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.444 -4.276 -2.910 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.414 -2.839 -1.109 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.588 -1.226 -0.726 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.174 -2.846 -0.119 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.481 -2.267 -1.652 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.082 -0.966 -2.673 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.029 -1.994 -3.674 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.753 -2.397 -3.490 1.00 0.00 H new ATOM 121 N ARG A 70 -2.312 -6.747 -4.073 1.00 0.00 N ATOM 122 CA ARG A 70 -1.889 -8.104 -4.392 1.00 0.00 C ATOM 123 C ARG A 70 -0.387 -8.169 -4.629 1.00 0.00 C ATOM 124 O ARG A 70 0.155 -7.431 -5.451 1.00 0.00 O ATOM 125 CB ARG A 70 -2.628 -8.616 -5.631 1.00 0.00 C ATOM 126 CG ARG A 70 -4.140 -8.518 -5.525 1.00 0.00 C ATOM 127 CD ARG A 70 -4.827 -9.213 -6.689 1.00 0.00 C ATOM 128 NE ARG A 70 -4.659 -10.664 -6.634 1.00 0.00 N ATOM 129 CZ ARG A 70 -5.427 -11.467 -5.903 1.00 0.00 C ATOM 130 NH1 ARG A 70 -6.400 -10.962 -5.157 1.00 0.00 N ATOM 131 NH2 ARG A 70 -5.218 -12.777 -5.915 1.00 0.00 N ATOM 0 H ARG A 70 -1.987 -6.036 -4.728 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.133 -8.738 -3.539 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -2.296 -8.049 -6.501 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.352 -9.656 -5.804 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.470 -8.965 -4.587 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.437 -7.469 -5.500 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.890 -8.970 -6.681 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.421 -8.836 -7.628 1.00 0.00 H new ATOM 0 HE ARG A 70 -3.912 -11.084 -7.187 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.561 -9.955 -5.143 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.987 -11.581 -4.598 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.468 -13.169 -6.485 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.807 -13.393 -5.354 1.00 0.00 H new ATOM 145 N GLU A 71 0.283 -9.052 -3.899 1.00 0.00 N ATOM 146 CA GLU A 71 1.721 -9.226 -4.046 1.00 0.00 C ATOM 147 C GLU A 71 2.012 -10.523 -4.792 1.00 0.00 C ATOM 148 O GLU A 71 1.753 -11.614 -4.282 1.00 0.00 O ATOM 149 CB GLU A 71 2.407 -9.236 -2.679 1.00 0.00 C ATOM 150 CG GLU A 71 3.923 -9.263 -2.765 1.00 0.00 C ATOM 151 CD GLU A 71 4.578 -9.545 -1.429 1.00 0.00 C ATOM 152 OE1 GLU A 71 4.635 -10.730 -1.035 1.00 0.00 O ATOM 153 OE2 GLU A 71 5.037 -8.585 -0.776 1.00 0.00 O ATOM 0 H GLU A 71 -0.147 -9.658 -3.200 1.00 0.00 H new ATOM 0 HA GLU A 71 2.117 -8.388 -4.620 1.00 0.00 H new ATOM 0 HB2 GLU A 71 2.098 -8.353 -2.119 1.00 0.00 H new ATOM 0 HB3 GLU A 71 2.067 -10.105 -2.116 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.229 -10.024 -3.483 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.279 -8.305 -3.145 1.00 0.00 H new ATOM 160 N ASP A 72 2.546 -10.393 -6.004 1.00 0.00 N ATOM 161 CA ASP A 72 2.858 -11.548 -6.841 1.00 0.00 C ATOM 162 C ASP A 72 1.581 -12.239 -7.303 1.00 0.00 C ATOM 163 O ASP A 72 1.492 -13.467 -7.311 1.00 0.00 O ATOM 164 CB ASP A 72 3.754 -12.540 -6.092 1.00 0.00 C ATOM 165 CG ASP A 72 5.220 -12.353 -6.428 1.00 0.00 C ATOM 166 OD1 ASP A 72 5.680 -12.942 -7.429 1.00 0.00 O ATOM 167 OD2 ASP A 72 5.909 -11.615 -5.692 1.00 0.00 O ATOM 0 H ASP A 72 2.773 -9.494 -6.430 1.00 0.00 H new ATOM 0 HA ASP A 72 3.398 -11.190 -7.718 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.611 -12.418 -5.018 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.453 -13.558 -6.340 1.00 0.00 H new ATOM 172 N GLY A 73 0.591 -11.436 -7.684 1.00 0.00 N ATOM 173 CA GLY A 73 -0.675 -11.978 -8.143 1.00 0.00 C ATOM 174 C GLY A 73 -1.443 -12.699 -7.050 1.00 0.00 C ATOM 175 O GLY A 73 -2.472 -13.319 -7.319 1.00 0.00 O ATOM 0 H GLY A 73 0.644 -10.417 -7.683 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.289 -11.168 -8.537 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.491 -12.668 -8.966 1.00 0.00 H new ATOM 179 N GLU A 74 -0.957 -12.611 -5.813 1.00 0.00 N ATOM 180 CA GLU A 74 -1.607 -13.273 -4.690 1.00 0.00 C ATOM 181 C GLU A 74 -2.072 -12.245 -3.662 1.00 0.00 C ATOM 182 O GLU A 74 -1.309 -11.370 -3.253 1.00 0.00 O ATOM 183 CB GLU A 74 -0.653 -14.280 -4.045 1.00 0.00 C ATOM 184 CG GLU A 74 0.004 -15.223 -5.043 1.00 0.00 C ATOM 185 CD GLU A 74 -1.002 -15.943 -5.922 1.00 0.00 C ATOM 186 OE1 GLU A 74 -1.942 -16.553 -5.372 1.00 0.00 O ATOM 187 OE2 GLU A 74 -0.848 -15.898 -7.162 1.00 0.00 O ATOM 0 H GLU A 74 -0.117 -12.088 -5.566 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.481 -13.809 -5.060 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.123 -13.738 -3.505 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.202 -14.868 -3.309 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.691 -14.657 -5.673 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.600 -15.959 -4.503 1.00 0.00 H new ATOM 194 N ARG A 75 -3.329 -12.363 -3.248 1.00 0.00 N ATOM 195 CA ARG A 75 -3.919 -11.438 -2.286 1.00 0.00 C ATOM 196 C ARG A 75 -3.099 -11.341 -1.003 1.00 0.00 C ATOM 197 O ARG A 75 -2.579 -12.339 -0.503 1.00 0.00 O ATOM 198 CB ARG A 75 -5.348 -11.868 -1.953 1.00 0.00 C ATOM 199 CG ARG A 75 -6.122 -10.838 -1.148 1.00 0.00 C ATOM 200 CD ARG A 75 -6.362 -9.570 -1.952 1.00 0.00 C ATOM 201 NE ARG A 75 -7.241 -8.639 -1.251 1.00 0.00 N ATOM 202 CZ ARG A 75 -8.567 -8.739 -1.250 1.00 0.00 C ATOM 203 NH1 ARG A 75 -9.159 -9.728 -1.904 1.00 0.00 N ATOM 204 NH2 ARG A 75 -9.301 -7.852 -0.592 1.00 0.00 N ATOM 0 H ARG A 75 -3.963 -13.096 -3.566 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.927 -10.451 -2.749 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.884 -12.069 -2.881 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.316 -12.804 -1.395 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -7.078 -11.260 -0.838 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.571 -10.595 -0.239 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.408 -9.084 -2.157 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -6.801 -9.829 -2.915 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.815 -7.870 -0.734 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -8.597 -10.414 -2.409 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -10.176 -9.804 -1.902 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.849 -7.091 -0.085 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -10.318 -7.931 -0.593 1.00 0.00 H new ATOM 218 N CYS A 76 -3.001 -10.125 -0.472 1.00 0.00 N ATOM 219 CA CYS A 76 -2.261 -9.872 0.758 1.00 0.00 C ATOM 220 C CYS A 76 -2.832 -10.703 1.905 1.00 0.00 C ATOM 221 O CYS A 76 -2.120 -11.489 2.531 1.00 0.00 O ATOM 222 CB CYS A 76 -2.322 -8.381 1.100 1.00 0.00 C ATOM 223 SG CYS A 76 -1.038 -7.814 2.241 1.00 0.00 S ATOM 0 H CYS A 76 -3.429 -9.294 -0.880 1.00 0.00 H new ATOM 0 HA CYS A 76 -1.220 -10.161 0.611 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -2.247 -7.807 0.176 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -3.297 -8.161 1.534 1.00 0.00 H new ATOM 228 N GLY A 77 -4.123 -10.525 2.177 1.00 0.00 N ATOM 229 CA GLY A 77 -4.771 -11.274 3.241 1.00 0.00 C ATOM 230 C GLY A 77 -4.643 -10.611 4.600 1.00 0.00 C ATOM 231 O GLY A 77 -5.367 -10.957 5.535 1.00 0.00 O ATOM 0 H GLY A 77 -4.732 -9.875 1.679 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.827 -11.395 3.001 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.339 -12.273 3.289 1.00 0.00 H new ATOM 235 N ARG A 78 -3.723 -9.659 4.714 1.00 0.00 N ATOM 236 CA ARG A 78 -3.507 -8.950 5.969 1.00 0.00 C ATOM 237 C ARG A 78 -4.547 -7.849 6.149 1.00 0.00 C ATOM 238 O ARG A 78 -4.787 -7.055 5.240 1.00 0.00 O ATOM 239 CB ARG A 78 -2.100 -8.355 6.001 1.00 0.00 C ATOM 240 CG ARG A 78 -1.748 -7.685 7.318 1.00 0.00 C ATOM 241 CD ARG A 78 -0.469 -6.873 7.197 1.00 0.00 C ATOM 242 NE ARG A 78 -0.019 -6.360 8.489 1.00 0.00 N ATOM 243 CZ ARG A 78 0.844 -6.990 9.283 1.00 0.00 C ATOM 244 NH1 ARG A 78 1.332 -8.178 8.946 1.00 0.00 N ATOM 245 NH2 ARG A 78 1.215 -6.434 10.428 1.00 0.00 N ATOM 0 H ARG A 78 -3.115 -9.361 3.951 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.610 -9.660 6.790 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.377 -9.146 5.801 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.005 -7.626 5.196 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.566 -7.035 7.629 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.630 -8.442 8.094 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.314 -7.494 6.761 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.632 -6.040 6.514 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.389 -5.463 8.802 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.046 -8.617 8.071 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.993 -8.651 9.562 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.839 -5.525 10.699 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.876 -6.915 11.038 1.00 0.00 H new ATOM 259 N ALA A 79 -5.158 -7.803 7.328 1.00 0.00 N ATOM 260 CA ALA A 79 -6.179 -6.803 7.627 1.00 0.00 C ATOM 261 C ALA A 79 -5.732 -5.404 7.217 1.00 0.00 C ATOM 262 O ALA A 79 -4.537 -5.112 7.169 1.00 0.00 O ATOM 263 CB ALA A 79 -6.520 -6.829 9.109 1.00 0.00 C ATOM 0 H ALA A 79 -4.964 -8.448 8.094 1.00 0.00 H new ATOM 0 HA ALA A 79 -7.068 -7.052 7.048 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.282 -6.079 9.320 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.897 -7.816 9.378 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.625 -6.611 9.692 1.00 0.00 H new ATOM 269 N ALA A 80 -6.703 -4.544 6.916 1.00 0.00 N ATOM 270 CA ALA A 80 -6.411 -3.171 6.524 1.00 0.00 C ATOM 271 C ALA A 80 -5.886 -2.383 7.718 1.00 0.00 C ATOM 272 O ALA A 80 -6.174 -2.721 8.866 1.00 0.00 O ATOM 273 CB ALA A 80 -7.653 -2.506 5.948 1.00 0.00 C ATOM 0 H ALA A 80 -7.696 -4.775 6.937 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.642 -3.185 5.752 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.417 -1.481 5.661 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.989 -3.060 5.072 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.443 -2.499 6.699 1.00 0.00 H new ATOM 279 N GLY A 81 -5.125 -1.329 7.446 1.00 0.00 N ATOM 280 CA GLY A 81 -4.563 -0.535 8.520 1.00 0.00 C ATOM 281 C GLY A 81 -5.265 0.793 8.729 1.00 0.00 C ATOM 282 O GLY A 81 -6.421 0.836 9.151 1.00 0.00 O ATOM 0 H GLY A 81 -4.889 -1.012 6.506 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.607 -1.109 9.446 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.510 -0.350 8.310 1.00 0.00 H new ATOM 286 N ASN A 82 -4.558 1.878 8.432 1.00 0.00 N ATOM 287 CA ASN A 82 -5.099 3.220 8.616 1.00 0.00 C ATOM 288 C ASN A 82 -4.951 4.076 7.357 1.00 0.00 C ATOM 289 O ASN A 82 -5.830 4.874 7.032 1.00 0.00 O ATOM 290 CB ASN A 82 -4.376 3.908 9.776 1.00 0.00 C ATOM 291 CG ASN A 82 -5.223 4.936 10.514 1.00 0.00 C ATOM 292 OD1 ASN A 82 -4.874 5.345 11.621 1.00 0.00 O ATOM 293 ND2 ASN A 82 -6.338 5.365 9.922 1.00 0.00 N ATOM 0 H ASN A 82 -3.608 1.854 8.062 1.00 0.00 H new ATOM 0 HA ASN A 82 -6.163 3.119 8.832 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -4.045 3.149 10.485 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -3.481 4.398 9.393 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -6.930 6.053 10.387 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -6.599 5.006 9.004 1.00 0.00 H new ATOM 300 N ALA A 83 -3.831 3.914 6.660 1.00 0.00 N ATOM 301 CA ALA A 83 -3.559 4.686 5.453 1.00 0.00 C ATOM 302 C ALA A 83 -4.512 4.331 4.318 1.00 0.00 C ATOM 303 O ALA A 83 -5.290 3.381 4.411 1.00 0.00 O ATOM 304 CB ALA A 83 -2.118 4.479 5.012 1.00 0.00 C ATOM 0 H ALA A 83 -3.096 3.253 6.911 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.717 5.737 5.695 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.926 5.060 4.110 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.445 4.806 5.804 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.949 3.422 4.805 1.00 0.00 H new ATOM 310 N SER A 84 -4.436 5.109 3.243 1.00 0.00 N ATOM 311 CA SER A 84 -5.278 4.894 2.076 1.00 0.00 C ATOM 312 C SER A 84 -4.457 4.983 0.796 1.00 0.00 C ATOM 313 O SER A 84 -3.522 5.778 0.698 1.00 0.00 O ATOM 314 CB SER A 84 -6.407 5.925 2.037 1.00 0.00 C ATOM 315 OG SER A 84 -5.891 7.238 1.887 1.00 0.00 O ATOM 0 H SER A 84 -3.795 5.898 3.158 1.00 0.00 H new ATOM 0 HA SER A 84 -5.709 3.895 2.148 1.00 0.00 H new ATOM 0 HB2 SER A 84 -7.082 5.699 1.212 1.00 0.00 H new ATOM 0 HB3 SER A 84 -6.993 5.863 2.954 1.00 0.00 H new ATOM 0 HG SER A 84 -6.631 7.880 1.863 1.00 0.00 H new ATOM 321 N PHE A 85 -4.806 4.155 -0.178 1.00 0.00 N ATOM 322 CA PHE A 85 -4.115 4.145 -1.460 1.00 0.00 C ATOM 323 C PHE A 85 -4.310 5.481 -2.168 1.00 0.00 C ATOM 324 O PHE A 85 -5.433 5.972 -2.284 1.00 0.00 O ATOM 325 CB PHE A 85 -4.658 3.004 -2.314 1.00 0.00 C ATOM 326 CG PHE A 85 -4.005 2.846 -3.657 1.00 0.00 C ATOM 327 CD1 PHE A 85 -2.809 2.159 -3.788 1.00 0.00 C ATOM 328 CD2 PHE A 85 -4.617 3.344 -4.795 1.00 0.00 C ATOM 329 CE1 PHE A 85 -2.233 1.977 -5.030 1.00 0.00 C ATOM 330 CE2 PHE A 85 -4.053 3.154 -6.039 1.00 0.00 C ATOM 331 CZ PHE A 85 -2.862 2.471 -6.157 1.00 0.00 C ATOM 0 H PHE A 85 -5.566 3.479 -0.105 1.00 0.00 H new ATOM 0 HA PHE A 85 -3.047 3.995 -1.299 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.545 2.072 -1.761 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.727 3.159 -2.463 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -2.322 1.762 -2.910 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.546 3.887 -4.707 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -1.294 1.450 -5.120 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.544 3.540 -6.920 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.420 2.322 -7.131 1.00 0.00 H new ATOM 341 N SER A 86 -3.215 6.071 -2.632 1.00 0.00 N ATOM 342 CA SER A 86 -3.278 7.360 -3.310 1.00 0.00 C ATOM 343 C SER A 86 -2.405 7.371 -4.560 1.00 0.00 C ATOM 344 O SER A 86 -2.026 6.323 -5.078 1.00 0.00 O ATOM 345 CB SER A 86 -2.830 8.469 -2.358 1.00 0.00 C ATOM 346 OG SER A 86 -1.429 8.418 -2.144 1.00 0.00 O ATOM 0 H SER A 86 -2.277 5.680 -2.552 1.00 0.00 H new ATOM 0 HA SER A 86 -4.310 7.532 -3.614 1.00 0.00 H new ATOM 0 HB2 SER A 86 -3.104 9.440 -2.770 1.00 0.00 H new ATOM 0 HB3 SER A 86 -3.351 8.369 -1.406 1.00 0.00 H new ATOM 0 HG SER A 86 -1.206 8.901 -1.321 1.00 0.00 H new ATOM 352 N LYS A 87 -2.132 8.571 -5.060 1.00 0.00 N ATOM 353 CA LYS A 87 -1.293 8.751 -6.238 1.00 0.00 C ATOM 354 C LYS A 87 0.187 8.630 -5.879 1.00 0.00 C ATOM 355 O LYS A 87 0.952 7.941 -6.555 1.00 0.00 O ATOM 356 CB LYS A 87 -1.576 10.113 -6.869 1.00 0.00 C ATOM 357 CG LYS A 87 -3.058 10.436 -6.948 1.00 0.00 C ATOM 358 CD LYS A 87 -3.294 11.865 -7.405 1.00 0.00 C ATOM 359 CE LYS A 87 -4.512 12.471 -6.727 1.00 0.00 C ATOM 360 NZ LYS A 87 -4.307 12.633 -5.260 1.00 0.00 N ATOM 0 H LYS A 87 -2.484 9.442 -4.662 1.00 0.00 H new ATOM 0 HA LYS A 87 -1.530 7.966 -6.956 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.072 10.887 -6.290 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.151 10.137 -7.872 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -3.545 9.747 -7.638 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.517 10.285 -5.971 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -2.414 12.469 -7.183 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -3.430 11.885 -8.486 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -4.730 13.441 -7.173 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.380 11.836 -6.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.897 13.416 -4.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.575 11.754 -4.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -3.306 12.843 -5.070 1.00 0.00 H new ATOM 374 N ARG A 88 0.580 9.320 -4.810 1.00 0.00 N ATOM 375 CA ARG A 88 1.963 9.303 -4.341 1.00 0.00 C ATOM 376 C ARG A 88 2.446 7.868 -4.153 1.00 0.00 C ATOM 377 O ARG A 88 3.582 7.536 -4.495 1.00 0.00 O ATOM 378 CB ARG A 88 2.068 10.123 -3.041 1.00 0.00 C ATOM 379 CG ARG A 88 3.215 9.741 -2.104 1.00 0.00 C ATOM 380 CD ARG A 88 2.814 8.672 -1.088 1.00 0.00 C ATOM 381 NE ARG A 88 1.539 8.970 -0.415 1.00 0.00 N ATOM 382 CZ ARG A 88 1.340 8.965 0.907 1.00 0.00 C ATOM 383 NH1 ARG A 88 2.317 8.672 1.760 1.00 0.00 N ATOM 384 NH2 ARG A 88 0.133 9.245 1.380 1.00 0.00 N ATOM 0 H ARG A 88 -0.044 9.901 -4.250 1.00 0.00 H new ATOM 0 HA ARG A 88 2.612 9.761 -5.087 1.00 0.00 H new ATOM 0 HB2 ARG A 88 2.175 11.175 -3.305 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.130 10.025 -2.495 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.056 9.378 -2.695 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.558 10.630 -1.574 1.00 0.00 H new ATOM 0 HD2 ARG A 88 2.736 7.709 -1.593 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.600 8.576 -0.339 1.00 0.00 H new ATOM 0 HE ARG A 88 0.741 9.199 -1.007 1.00 0.00 H new ATOM 0 HH11 ARG A 88 3.248 8.443 1.411 1.00 0.00 H new ATOM 0 HH12 ARG A 88 2.136 8.676 2.764 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.629 9.461 0.737 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -0.033 9.245 2.386 1.00 0.00 H new ATOM 398 N ILE A 89 1.578 7.018 -3.619 1.00 0.00 N ATOM 399 CA ILE A 89 1.920 5.620 -3.414 1.00 0.00 C ATOM 400 C ILE A 89 2.053 4.911 -4.758 1.00 0.00 C ATOM 401 O ILE A 89 2.850 3.987 -4.911 1.00 0.00 O ATOM 402 CB ILE A 89 0.870 4.904 -2.543 1.00 0.00 C ATOM 403 CG1 ILE A 89 0.749 5.609 -1.190 1.00 0.00 C ATOM 404 CG2 ILE A 89 1.241 3.441 -2.354 1.00 0.00 C ATOM 405 CD1 ILE A 89 -0.205 4.927 -0.234 1.00 0.00 C ATOM 0 H ILE A 89 0.636 7.273 -3.322 1.00 0.00 H new ATOM 0 HA ILE A 89 2.874 5.583 -2.889 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.095 4.946 -3.048 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.735 5.663 -0.729 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.416 6.634 -1.353 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.488 2.952 -1.736 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.289 2.949 -3.326 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.212 3.372 -1.864 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.240 5.482 0.703 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.202 4.896 -0.675 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.138 3.910 -0.041 1.00 0.00 H new ATOM 417 N GLN A 90 1.265 5.361 -5.733 1.00 0.00 N ATOM 418 CA GLN A 90 1.308 4.794 -7.076 1.00 0.00 C ATOM 419 C GLN A 90 2.642 5.134 -7.726 1.00 0.00 C ATOM 420 O GLN A 90 3.236 4.315 -8.428 1.00 0.00 O ATOM 421 CB GLN A 90 0.148 5.337 -7.917 1.00 0.00 C ATOM 422 CG GLN A 90 0.137 4.836 -9.353 1.00 0.00 C ATOM 423 CD GLN A 90 0.714 5.845 -10.329 1.00 0.00 C ATOM 424 OE1 GLN A 90 0.004 6.715 -10.831 1.00 0.00 O ATOM 425 NE2 GLN A 90 2.007 5.727 -10.608 1.00 0.00 N ATOM 0 H GLN A 90 0.590 6.117 -5.616 1.00 0.00 H new ATOM 0 HA GLN A 90 1.207 3.710 -7.014 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.793 5.062 -7.440 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.196 6.426 -7.923 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.708 3.909 -9.415 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -0.887 4.600 -9.643 1.00 0.00 H new ATOM 0 HE21 GLN A 90 2.558 4.990 -10.168 1.00 0.00 H new ATOM 0 HE22 GLN A 90 2.449 6.373 -11.262 1.00 0.00 H new ATOM 434 N LYS A 91 3.103 6.357 -7.480 1.00 0.00 N ATOM 435 CA LYS A 91 4.376 6.822 -8.009 1.00 0.00 C ATOM 436 C LYS A 91 5.512 6.025 -7.382 1.00 0.00 C ATOM 437 O LYS A 91 6.407 5.539 -8.076 1.00 0.00 O ATOM 438 CB LYS A 91 4.544 8.313 -7.709 1.00 0.00 C ATOM 439 CG LYS A 91 5.892 8.881 -8.111 1.00 0.00 C ATOM 440 CD LYS A 91 5.929 9.258 -9.583 1.00 0.00 C ATOM 441 CE LYS A 91 7.239 9.941 -9.947 1.00 0.00 C ATOM 442 NZ LYS A 91 8.419 9.141 -9.518 1.00 0.00 N ATOM 0 H LYS A 91 2.608 7.046 -6.914 1.00 0.00 H new ATOM 0 HA LYS A 91 4.397 6.676 -9.089 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.760 8.867 -8.226 1.00 0.00 H new ATOM 0 HB3 LYS A 91 4.398 8.476 -6.641 1.00 0.00 H new ATOM 0 HG2 LYS A 91 6.111 9.760 -7.505 1.00 0.00 H new ATOM 0 HG3 LYS A 91 6.672 8.148 -7.904 1.00 0.00 H new ATOM 0 HD2 LYS A 91 5.801 8.364 -10.193 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.095 9.921 -9.812 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.279 10.098 -11.025 1.00 0.00 H new ATOM 0 HE3 LYS A 91 7.278 10.925 -9.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 8.917 9.640 -8.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 8.102 8.211 -9.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 9.063 9.012 -10.324 1.00 0.00 H new ATOM 456 N SER A 92 5.465 5.891 -6.059 1.00 0.00 N ATOM 457 CA SER A 92 6.473 5.135 -5.333 1.00 0.00 C ATOM 458 C SER A 92 6.558 3.721 -5.892 1.00 0.00 C ATOM 459 O SER A 92 7.643 3.208 -6.148 1.00 0.00 O ATOM 460 CB SER A 92 6.138 5.096 -3.839 1.00 0.00 C ATOM 461 OG SER A 92 7.086 4.326 -3.121 1.00 0.00 O ATOM 0 H SER A 92 4.738 6.298 -5.471 1.00 0.00 H new ATOM 0 HA SER A 92 7.439 5.625 -5.456 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.115 6.111 -3.442 1.00 0.00 H new ATOM 0 HB3 SER A 92 5.142 4.676 -3.698 1.00 0.00 H new ATOM 0 HG SER A 92 6.871 4.350 -2.165 1.00 0.00 H new ATOM 467 N ILE A 93 5.400 3.102 -6.091 1.00 0.00 N ATOM 468 CA ILE A 93 5.336 1.752 -6.637 1.00 0.00 C ATOM 469 C ILE A 93 5.854 1.735 -8.074 1.00 0.00 C ATOM 470 O ILE A 93 6.504 0.780 -8.499 1.00 0.00 O ATOM 471 CB ILE A 93 3.889 1.206 -6.611 1.00 0.00 C ATOM 472 CG1 ILE A 93 3.386 1.102 -5.171 1.00 0.00 C ATOM 473 CG2 ILE A 93 3.806 -0.151 -7.300 1.00 0.00 C ATOM 474 CD1 ILE A 93 1.885 0.949 -5.067 1.00 0.00 C ATOM 0 H ILE A 93 4.491 3.515 -5.882 1.00 0.00 H new ATOM 0 HA ILE A 93 5.963 1.114 -6.014 1.00 0.00 H new ATOM 0 HB ILE A 93 3.253 1.904 -7.156 1.00 0.00 H new ATOM 0 HG12 ILE A 93 3.865 0.250 -4.688 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.692 1.993 -4.622 1.00 0.00 H new ATOM 0 HG21 ILE A 93 2.778 -0.513 -7.268 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.124 -0.052 -8.338 1.00 0.00 H new ATOM 0 HG23 ILE A 93 4.456 -0.860 -6.787 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.598 0.881 -4.018 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.399 1.813 -5.521 1.00 0.00 H new ATOM 0 HD13 ILE A 93 1.575 0.043 -5.587 1.00 0.00 H new ATOM 486 N SER A 94 5.562 2.802 -8.810 1.00 0.00 N ATOM 487 CA SER A 94 5.982 2.914 -10.201 1.00 0.00 C ATOM 488 C SER A 94 7.501 2.974 -10.318 1.00 0.00 C ATOM 489 O SER A 94 8.086 2.369 -11.217 1.00 0.00 O ATOM 490 CB SER A 94 5.361 4.156 -10.842 1.00 0.00 C ATOM 491 OG SER A 94 5.643 4.209 -12.229 1.00 0.00 O ATOM 0 H SER A 94 5.034 3.604 -8.464 1.00 0.00 H new ATOM 0 HA SER A 94 5.635 2.025 -10.727 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.282 4.148 -10.687 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.746 5.052 -10.355 1.00 0.00 H new ATOM 0 HG SER A 94 5.234 5.011 -12.616 1.00 0.00 H new ATOM 497 N GLN A 95 8.139 3.705 -9.411 1.00 0.00 N ATOM 498 CA GLN A 95 9.590 3.830 -9.431 1.00 0.00 C ATOM 499 C GLN A 95 10.239 2.538 -8.954 1.00 0.00 C ATOM 500 O GLN A 95 11.217 2.072 -9.538 1.00 0.00 O ATOM 501 CB GLN A 95 10.040 5.014 -8.572 1.00 0.00 C ATOM 502 CG GLN A 95 11.157 5.827 -9.208 1.00 0.00 C ATOM 503 CD GLN A 95 10.870 6.185 -10.656 1.00 0.00 C ATOM 504 OE1 GLN A 95 11.783 6.267 -11.477 1.00 0.00 O ATOM 505 NE2 GLN A 95 9.598 6.401 -10.980 1.00 0.00 N ATOM 0 H GLN A 95 7.678 4.216 -8.658 1.00 0.00 H new ATOM 0 HA GLN A 95 9.909 4.016 -10.457 1.00 0.00 H new ATOM 0 HB2 GLN A 95 9.186 5.665 -8.387 1.00 0.00 H new ATOM 0 HB3 GLN A 95 10.375 4.645 -7.603 1.00 0.00 H new ATOM 0 HG2 GLN A 95 11.307 6.742 -8.635 1.00 0.00 H new ATOM 0 HG3 GLN A 95 12.088 5.262 -9.155 1.00 0.00 H new ATOM 0 HE21 GLN A 95 8.870 6.323 -10.269 1.00 0.00 H new ATOM 0 HE22 GLN A 95 9.350 6.645 -11.939 1.00 0.00 H new ATOM 514 N LYS A 96 9.694 1.964 -7.889 1.00 0.00 N ATOM 515 CA LYS A 96 10.212 0.710 -7.361 1.00 0.00 C ATOM 516 C LYS A 96 10.006 -0.399 -8.381 1.00 0.00 C ATOM 517 O LYS A 96 10.798 -1.338 -8.470 1.00 0.00 O ATOM 518 CB LYS A 96 9.504 0.337 -6.057 1.00 0.00 C ATOM 519 CG LYS A 96 9.729 1.327 -4.929 1.00 0.00 C ATOM 520 CD LYS A 96 9.074 0.861 -3.638 1.00 0.00 C ATOM 521 CE LYS A 96 9.891 -0.227 -2.960 1.00 0.00 C ATOM 522 NZ LYS A 96 11.355 0.017 -3.081 1.00 0.00 N ATOM 0 H LYS A 96 8.898 2.345 -7.377 1.00 0.00 H new ATOM 0 HA LYS A 96 11.276 0.835 -7.159 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.434 0.255 -6.247 1.00 0.00 H new ATOM 0 HB3 LYS A 96 9.847 -0.647 -5.737 1.00 0.00 H new ATOM 0 HG2 LYS A 96 10.799 1.459 -4.768 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.326 2.300 -5.212 1.00 0.00 H new ATOM 0 HD2 LYS A 96 8.960 1.707 -2.961 1.00 0.00 H new ATOM 0 HD3 LYS A 96 8.073 0.486 -3.851 1.00 0.00 H new ATOM 0 HE2 LYS A 96 9.618 -0.281 -1.906 1.00 0.00 H new ATOM 0 HE3 LYS A 96 9.647 -1.193 -3.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 11.857 -0.511 -2.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.684 -0.301 -4.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 11.548 1.033 -2.974 1.00 0.00 H new ATOM 536 N LYS A 97 8.935 -0.270 -9.161 1.00 0.00 N ATOM 537 CA LYS A 97 8.594 -1.263 -10.168 1.00 0.00 C ATOM 538 C LYS A 97 8.464 -2.633 -9.523 1.00 0.00 C ATOM 539 O LYS A 97 9.387 -3.448 -9.563 1.00 0.00 O ATOM 540 CB LYS A 97 9.634 -1.289 -11.287 1.00 0.00 C ATOM 541 CG LYS A 97 9.114 -0.729 -12.602 1.00 0.00 C ATOM 542 CD LYS A 97 8.125 -1.677 -13.262 1.00 0.00 C ATOM 543 CE LYS A 97 7.446 -1.026 -14.456 1.00 0.00 C ATOM 544 NZ LYS A 97 7.120 -2.014 -15.520 1.00 0.00 N ATOM 0 H LYS A 97 8.288 0.517 -9.112 1.00 0.00 H new ATOM 0 HA LYS A 97 7.636 -0.991 -10.612 1.00 0.00 H new ATOM 0 HB2 LYS A 97 10.507 -0.716 -10.976 1.00 0.00 H new ATOM 0 HB3 LYS A 97 9.965 -2.316 -11.443 1.00 0.00 H new ATOM 0 HG2 LYS A 97 8.633 0.233 -12.424 1.00 0.00 H new ATOM 0 HG3 LYS A 97 9.950 -0.547 -13.277 1.00 0.00 H new ATOM 0 HD2 LYS A 97 8.644 -2.580 -13.584 1.00 0.00 H new ATOM 0 HD3 LYS A 97 7.372 -1.984 -12.536 1.00 0.00 H new ATOM 0 HE2 LYS A 97 6.532 -0.532 -14.128 1.00 0.00 H new ATOM 0 HE3 LYS A 97 8.096 -0.253 -14.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 6.658 -1.528 -16.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 7.995 -2.468 -15.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 6.479 -2.738 -15.137 1.00 0.00 H new ATOM 558 N VAL A 98 7.310 -2.866 -8.910 1.00 0.00 N ATOM 559 CA VAL A 98 7.036 -4.125 -8.236 1.00 0.00 C ATOM 560 C VAL A 98 5.708 -4.711 -8.700 1.00 0.00 C ATOM 561 O VAL A 98 4.954 -4.063 -9.424 1.00 0.00 O ATOM 562 CB VAL A 98 7.000 -3.932 -6.709 1.00 0.00 C ATOM 563 CG1 VAL A 98 8.394 -3.642 -6.175 1.00 0.00 C ATOM 564 CG2 VAL A 98 6.039 -2.813 -6.338 1.00 0.00 C ATOM 0 H VAL A 98 6.545 -2.193 -8.867 1.00 0.00 H new ATOM 0 HA VAL A 98 7.840 -4.815 -8.491 1.00 0.00 H new ATOM 0 HB VAL A 98 6.645 -4.855 -6.252 1.00 0.00 H new ATOM 0 HG11 VAL A 98 8.349 -3.508 -5.094 1.00 0.00 H new ATOM 0 HG12 VAL A 98 9.055 -4.476 -6.410 1.00 0.00 H new ATOM 0 HG13 VAL A 98 8.779 -2.733 -6.637 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.025 -2.689 -5.255 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.365 -1.884 -6.805 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.037 -3.063 -6.687 1.00 0.00 H new ATOM 574 N LYS A 99 5.425 -5.938 -8.277 1.00 0.00 N ATOM 575 CA LYS A 99 4.188 -6.602 -8.662 1.00 0.00 C ATOM 576 C LYS A 99 3.074 -6.323 -7.661 1.00 0.00 C ATOM 577 O LYS A 99 2.532 -7.239 -7.044 1.00 0.00 O ATOM 578 CB LYS A 99 4.408 -8.106 -8.803 1.00 0.00 C ATOM 579 CG LYS A 99 5.446 -8.462 -9.852 1.00 0.00 C ATOM 580 CD LYS A 99 5.105 -9.761 -10.558 1.00 0.00 C ATOM 581 CE LYS A 99 6.160 -10.121 -11.590 1.00 0.00 C ATOM 582 NZ LYS A 99 7.534 -10.044 -11.024 1.00 0.00 N ATOM 0 H LYS A 99 6.032 -6.489 -7.671 1.00 0.00 H new ATOM 0 HA LYS A 99 3.882 -6.199 -9.628 1.00 0.00 H new ATOM 0 HB2 LYS A 99 4.719 -8.513 -7.841 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.462 -8.583 -9.060 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.515 -7.657 -10.584 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.425 -8.550 -9.381 1.00 0.00 H new ATOM 0 HD2 LYS A 99 5.020 -10.564 -9.826 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.134 -9.669 -11.044 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.976 -11.129 -11.962 1.00 0.00 H new ATOM 0 HE3 LYS A 99 6.080 -9.447 -12.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 8.193 -10.560 -11.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 7.827 -9.048 -10.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 7.543 -10.470 -10.075 1.00 0.00 H new ATOM 596 N ILE A 100 2.744 -5.048 -7.506 1.00 0.00 N ATOM 597 CA ILE A 100 1.685 -4.636 -6.599 1.00 0.00 C ATOM 598 C ILE A 100 0.696 -3.737 -7.326 1.00 0.00 C ATOM 599 O ILE A 100 1.033 -2.624 -7.729 1.00 0.00 O ATOM 600 CB ILE A 100 2.239 -3.891 -5.370 1.00 0.00 C ATOM 601 CG1 ILE A 100 3.248 -4.767 -4.628 1.00 0.00 C ATOM 602 CG2 ILE A 100 1.103 -3.482 -4.443 1.00 0.00 C ATOM 603 CD1 ILE A 100 3.906 -4.071 -3.457 1.00 0.00 C ATOM 0 H ILE A 100 3.198 -4.279 -8.000 1.00 0.00 H new ATOM 0 HA ILE A 100 1.185 -5.540 -6.252 1.00 0.00 H new ATOM 0 HB ILE A 100 2.749 -2.989 -5.709 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.744 -5.665 -4.270 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.019 -5.092 -5.327 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.510 -2.957 -3.579 1.00 0.00 H new ATOM 0 HG22 ILE A 100 0.416 -2.825 -4.977 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.568 -4.371 -4.108 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.609 -4.752 -2.978 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.439 -3.189 -3.811 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.144 -3.771 -2.738 1.00 0.00 H new ATOM 615 N GLU A 101 -0.521 -4.231 -7.505 1.00 0.00 N ATOM 616 CA GLU A 101 -1.553 -3.473 -8.192 1.00 0.00 C ATOM 617 C GLU A 101 -2.843 -3.464 -7.387 1.00 0.00 C ATOM 618 O GLU A 101 -3.051 -4.310 -6.516 1.00 0.00 O ATOM 619 CB GLU A 101 -1.799 -4.056 -9.581 1.00 0.00 C ATOM 620 CG GLU A 101 -1.929 -5.569 -9.588 1.00 0.00 C ATOM 621 CD GLU A 101 -2.138 -6.129 -10.980 1.00 0.00 C ATOM 622 OE1 GLU A 101 -2.682 -5.399 -11.836 1.00 0.00 O ATOM 623 OE2 GLU A 101 -1.757 -7.294 -11.215 1.00 0.00 O ATOM 0 H GLU A 101 -0.816 -5.153 -7.184 1.00 0.00 H new ATOM 0 HA GLU A 101 -1.210 -2.444 -8.298 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.708 -3.619 -9.994 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.979 -3.767 -10.238 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -1.031 -6.009 -9.154 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.766 -5.861 -8.953 1.00 0.00 H new ATOM 630 N LEU A 102 -3.708 -2.506 -7.684 1.00 0.00 N ATOM 631 CA LEU A 102 -4.968 -2.383 -6.976 1.00 0.00 C ATOM 632 C LEU A 102 -6.046 -3.277 -7.581 1.00 0.00 C ATOM 633 O LEU A 102 -6.361 -3.179 -8.768 1.00 0.00 O ATOM 634 CB LEU A 102 -5.445 -0.934 -6.979 1.00 0.00 C ATOM 635 CG LEU A 102 -6.796 -0.737 -6.310 1.00 0.00 C ATOM 636 CD1 LEU A 102 -6.651 -0.061 -4.961 1.00 0.00 C ATOM 637 CD2 LEU A 102 -7.740 0.035 -7.205 1.00 0.00 C ATOM 0 H LEU A 102 -3.559 -1.805 -8.410 1.00 0.00 H new ATOM 0 HA LEU A 102 -4.794 -2.706 -5.950 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.704 -0.315 -6.472 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.504 -0.582 -8.009 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.226 -1.724 -6.141 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.635 0.065 -4.510 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.029 -0.676 -4.311 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.184 0.915 -5.092 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -8.698 0.161 -6.701 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.314 1.014 -7.425 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.889 -0.513 -8.135 1.00 0.00 H new ATOM 649 N ASP A 103 -6.617 -4.141 -6.749 1.00 0.00 N ATOM 650 CA ASP A 103 -7.678 -5.037 -7.187 1.00 0.00 C ATOM 651 C ASP A 103 -8.968 -4.239 -7.306 1.00 0.00 C ATOM 652 O ASP A 103 -9.538 -3.813 -6.301 1.00 0.00 O ATOM 653 CB ASP A 103 -7.852 -6.189 -6.192 1.00 0.00 C ATOM 654 CG ASP A 103 -8.235 -7.495 -6.865 1.00 0.00 C ATOM 655 OD1 ASP A 103 -7.675 -7.797 -7.940 1.00 0.00 O ATOM 656 OD2 ASP A 103 -9.094 -8.218 -6.316 1.00 0.00 O ATOM 0 H ASP A 103 -6.362 -4.239 -5.766 1.00 0.00 H new ATOM 0 HA ASP A 103 -7.420 -5.467 -8.155 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -6.923 -6.329 -5.639 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.618 -5.922 -5.464 1.00 0.00 H new ATOM 661 N LYS A 104 -9.417 -4.021 -8.533 1.00 0.00 N ATOM 662 CA LYS A 104 -10.623 -3.238 -8.777 1.00 0.00 C ATOM 663 C LYS A 104 -11.886 -3.939 -8.280 1.00 0.00 C ATOM 664 O LYS A 104 -12.965 -3.346 -8.277 1.00 0.00 O ATOM 665 CB LYS A 104 -10.737 -2.913 -10.264 1.00 0.00 C ATOM 666 CG LYS A 104 -9.469 -2.297 -10.830 1.00 0.00 C ATOM 667 CD LYS A 104 -9.768 -1.305 -11.939 1.00 0.00 C ATOM 668 CE LYS A 104 -8.514 -0.556 -12.360 1.00 0.00 C ATOM 669 NZ LYS A 104 -7.401 -1.486 -12.698 1.00 0.00 N ATOM 0 H LYS A 104 -8.966 -4.375 -9.377 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.535 -2.313 -8.208 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -10.969 -3.825 -10.814 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -11.569 -2.227 -10.419 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -8.922 -1.795 -10.032 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -8.822 -3.086 -11.213 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -10.186 -1.831 -12.797 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -10.523 -0.595 -11.601 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -8.738 0.071 -13.223 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -8.200 0.109 -11.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -6.661 -0.969 -13.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -7.001 -1.881 -11.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -7.763 -2.259 -13.293 1.00 0.00 H new ATOM 683 N SER A 105 -11.758 -5.192 -7.857 1.00 0.00 N ATOM 684 CA SER A 105 -12.904 -5.939 -7.355 1.00 0.00 C ATOM 685 C SER A 105 -13.352 -5.393 -6.002 1.00 0.00 C ATOM 686 O SER A 105 -14.535 -5.437 -5.663 1.00 0.00 O ATOM 687 CB SER A 105 -12.554 -7.423 -7.222 1.00 0.00 C ATOM 688 OG SER A 105 -11.559 -7.625 -6.233 1.00 0.00 O ATOM 0 H SER A 105 -10.878 -5.708 -7.852 1.00 0.00 H new ATOM 0 HA SER A 105 -13.721 -5.827 -8.067 1.00 0.00 H new ATOM 0 HB2 SER A 105 -13.449 -7.989 -6.963 1.00 0.00 H new ATOM 0 HB3 SER A 105 -12.201 -7.804 -8.180 1.00 0.00 H new ATOM 0 HG SER A 105 -10.704 -7.830 -6.666 1.00 0.00 H new ATOM 694 N ALA A 106 -12.395 -4.873 -5.239 1.00 0.00 N ATOM 695 CA ALA A 106 -12.674 -4.328 -3.914 1.00 0.00 C ATOM 696 C ALA A 106 -13.485 -3.038 -3.986 1.00 0.00 C ATOM 697 O ALA A 106 -13.976 -2.655 -5.048 1.00 0.00 O ATOM 698 CB ALA A 106 -11.372 -4.089 -3.164 1.00 0.00 C ATOM 0 H ALA A 106 -11.415 -4.817 -5.517 1.00 0.00 H new ATOM 0 HA ALA A 106 -13.274 -5.061 -3.376 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.590 -3.682 -2.177 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -10.835 -5.032 -3.058 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -10.757 -3.382 -3.720 1.00 0.00 H new ATOM 704 N ARG A 107 -13.619 -2.373 -2.841 1.00 0.00 N ATOM 705 CA ARG A 107 -14.375 -1.127 -2.753 1.00 0.00 C ATOM 706 C ARG A 107 -13.583 -0.045 -2.022 1.00 0.00 C ATOM 707 O ARG A 107 -12.999 0.839 -2.647 1.00 0.00 O ATOM 708 CB ARG A 107 -15.717 -1.356 -2.041 1.00 0.00 C ATOM 709 CG ARG A 107 -15.735 -2.563 -1.111 1.00 0.00 C ATOM 710 CD ARG A 107 -16.867 -2.471 -0.099 1.00 0.00 C ATOM 711 NE ARG A 107 -18.106 -1.985 -0.703 1.00 0.00 N ATOM 712 CZ ARG A 107 -19.017 -2.770 -1.275 1.00 0.00 C ATOM 713 NH1 ARG A 107 -18.821 -4.080 -1.357 1.00 0.00 N ATOM 714 NH2 ARG A 107 -20.123 -2.240 -1.777 1.00 0.00 N ATOM 0 H ARG A 107 -13.211 -2.679 -1.957 1.00 0.00 H new ATOM 0 HA ARG A 107 -14.563 -0.787 -3.772 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -15.966 -0.465 -1.465 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -16.497 -1.479 -2.792 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -15.844 -3.475 -1.699 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -14.782 -2.634 -0.587 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -17.040 -3.453 0.341 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -16.574 -1.805 0.712 1.00 0.00 H new ATOM 0 HE ARG A 107 -18.284 -0.981 -0.685 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -17.968 -4.493 -0.980 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -19.524 -4.674 -1.797 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -20.275 -1.233 -1.725 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -20.822 -2.839 -2.216 1.00 0.00 H new ATOM 728 N HIS A 108 -13.569 -0.124 -0.695 1.00 0.00 N ATOM 729 CA HIS A 108 -12.866 0.854 0.128 1.00 0.00 C ATOM 730 C HIS A 108 -11.403 0.986 -0.281 1.00 0.00 C ATOM 731 O HIS A 108 -10.843 0.106 -0.934 1.00 0.00 O ATOM 732 CB HIS A 108 -12.950 0.466 1.605 1.00 0.00 C ATOM 733 CG HIS A 108 -12.185 -0.778 1.946 1.00 0.00 C ATOM 734 ND1 HIS A 108 -10.810 -0.812 2.051 1.00 0.00 N ATOM 735 CD2 HIS A 108 -12.612 -2.036 2.211 1.00 0.00 C ATOM 736 CE1 HIS A 108 -10.424 -2.037 2.364 1.00 0.00 C ATOM 737 NE2 HIS A 108 -11.499 -2.798 2.467 1.00 0.00 N ATOM 0 H HIS A 108 -14.038 -0.858 -0.165 1.00 0.00 H new ATOM 0 HA HIS A 108 -13.352 1.817 -0.025 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -12.574 1.291 2.210 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -13.996 0.324 1.875 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -13.637 -2.376 2.219 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -9.404 -2.360 2.510 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -11.502 -3.791 2.699 1.00 0.00 H new ATOM 746 N LEU A 109 -10.794 2.101 0.110 1.00 0.00 N ATOM 747 CA LEU A 109 -9.393 2.361 -0.191 1.00 0.00 C ATOM 748 C LEU A 109 -8.581 2.440 1.095 1.00 0.00 C ATOM 749 O LEU A 109 -8.309 3.527 1.606 1.00 0.00 O ATOM 750 CB LEU A 109 -9.244 3.660 -0.986 1.00 0.00 C ATOM 751 CG LEU A 109 -9.847 3.638 -2.391 1.00 0.00 C ATOM 752 CD1 LEU A 109 -9.882 5.040 -2.976 1.00 0.00 C ATOM 753 CD2 LEU A 109 -9.057 2.702 -3.294 1.00 0.00 C ATOM 0 H LEU A 109 -11.253 2.842 0.639 1.00 0.00 H new ATOM 0 HA LEU A 109 -9.015 1.538 -0.797 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -9.709 4.468 -0.421 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -8.183 3.898 -1.067 1.00 0.00 H new ATOM 0 HG LEU A 109 -10.870 3.268 -2.323 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -10.314 5.006 -3.976 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -10.489 5.685 -2.340 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -8.868 5.436 -3.032 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.499 2.698 -4.290 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -8.024 3.043 -3.357 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -9.081 1.693 -2.882 1.00 0.00 H new ATOM 765 N TYR A 110 -8.216 1.279 1.623 1.00 0.00 N ATOM 766 CA TYR A 110 -7.432 1.204 2.848 1.00 0.00 C ATOM 767 C TYR A 110 -6.462 0.033 2.789 1.00 0.00 C ATOM 768 O TYR A 110 -6.871 -1.120 2.658 1.00 0.00 O ATOM 769 CB TYR A 110 -8.347 1.059 4.067 1.00 0.00 C ATOM 770 CG TYR A 110 -9.058 2.337 4.453 1.00 0.00 C ATOM 771 CD1 TYR A 110 -10.277 2.676 3.881 1.00 0.00 C ATOM 772 CD2 TYR A 110 -8.510 3.202 5.392 1.00 0.00 C ATOM 773 CE1 TYR A 110 -10.930 3.842 4.233 1.00 0.00 C ATOM 774 CE2 TYR A 110 -9.157 4.369 5.749 1.00 0.00 C ATOM 775 CZ TYR A 110 -10.366 4.684 5.167 1.00 0.00 C ATOM 776 OH TYR A 110 -11.013 5.846 5.521 1.00 0.00 O ATOM 0 H TYR A 110 -8.452 0.372 1.219 1.00 0.00 H new ATOM 0 HA TYR A 110 -6.864 2.130 2.943 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -9.090 0.289 3.862 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -7.755 0.713 4.915 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -10.722 2.018 3.149 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -7.563 2.958 5.850 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -11.877 4.092 3.779 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -8.718 5.031 6.480 1.00 0.00 H new ATOM 0 HH TYR A 110 -10.482 6.325 6.191 1.00 0.00 H new ATOM 786 N ILE A 111 -5.174 0.337 2.878 1.00 0.00 N ATOM 787 CA ILE A 111 -4.147 -0.693 2.834 1.00 0.00 C ATOM 788 C ILE A 111 -3.653 -1.030 4.233 1.00 0.00 C ATOM 789 O ILE A 111 -3.805 -0.240 5.165 1.00 0.00 O ATOM 790 CB ILE A 111 -2.948 -0.256 1.973 1.00 0.00 C ATOM 791 CG1 ILE A 111 -2.306 1.004 2.555 1.00 0.00 C ATOM 792 CG2 ILE A 111 -3.386 -0.021 0.536 1.00 0.00 C ATOM 793 CD1 ILE A 111 -1.039 1.423 1.841 1.00 0.00 C ATOM 0 H ILE A 111 -4.817 1.287 2.981 1.00 0.00 H new ATOM 0 HA ILE A 111 -4.603 -1.576 2.386 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.205 -1.054 1.979 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -3.025 1.822 2.511 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -2.081 0.834 3.608 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -2.527 0.287 -0.060 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -3.800 -0.942 0.127 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.145 0.761 0.510 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.639 2.323 2.308 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.302 0.622 1.907 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -1.262 1.626 0.793 1.00 0.00 H new ATOM 805 N CYS A 112 -3.066 -2.210 4.374 1.00 0.00 N ATOM 806 CA CYS A 112 -2.543 -2.651 5.656 1.00 0.00 C ATOM 807 C CYS A 112 -1.303 -1.850 6.036 1.00 0.00 C ATOM 808 O CYS A 112 -0.751 -1.119 5.213 1.00 0.00 O ATOM 809 CB CYS A 112 -2.211 -4.143 5.605 1.00 0.00 C ATOM 810 SG CYS A 112 -1.193 -4.625 4.189 1.00 0.00 S ATOM 0 H CYS A 112 -2.941 -2.879 3.614 1.00 0.00 H new ATOM 0 HA CYS A 112 -3.307 -2.484 6.415 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -1.693 -4.421 6.523 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -3.141 -4.711 5.580 1.00 0.00 H new ATOM 815 N ASP A 113 -0.873 -1.984 7.285 1.00 0.00 N ATOM 816 CA ASP A 113 0.307 -1.276 7.763 1.00 0.00 C ATOM 817 C ASP A 113 1.555 -1.807 7.070 1.00 0.00 C ATOM 818 O ASP A 113 2.520 -1.076 6.845 1.00 0.00 O ATOM 819 CB ASP A 113 0.445 -1.435 9.278 1.00 0.00 C ATOM 820 CG ASP A 113 -0.881 -1.286 9.998 1.00 0.00 C ATOM 821 OD1 ASP A 113 -1.551 -0.250 9.800 1.00 0.00 O ATOM 822 OD2 ASP A 113 -1.249 -2.203 10.761 1.00 0.00 O ATOM 0 H ASP A 113 -1.323 -2.575 7.984 1.00 0.00 H new ATOM 0 HA ASP A 113 0.195 -0.217 7.529 1.00 0.00 H new ATOM 0 HB2 ASP A 113 0.868 -2.414 9.501 1.00 0.00 H new ATOM 0 HB3 ASP A 113 1.146 -0.691 9.656 1.00 0.00 H new ATOM 827 N TYR A 114 1.517 -3.090 6.729 1.00 0.00 N ATOM 828 CA TYR A 114 2.628 -3.750 6.059 1.00 0.00 C ATOM 829 C TYR A 114 3.026 -3.003 4.790 1.00 0.00 C ATOM 830 O TYR A 114 4.172 -2.577 4.643 1.00 0.00 O ATOM 831 CB TYR A 114 2.240 -5.192 5.721 1.00 0.00 C ATOM 832 CG TYR A 114 3.388 -6.046 5.228 1.00 0.00 C ATOM 833 CD1 TYR A 114 4.253 -6.662 6.123 1.00 0.00 C ATOM 834 CD2 TYR A 114 3.597 -6.244 3.870 1.00 0.00 C ATOM 835 CE1 TYR A 114 5.296 -7.452 5.677 1.00 0.00 C ATOM 836 CE2 TYR A 114 4.639 -7.032 3.416 1.00 0.00 C ATOM 837 CZ TYR A 114 5.485 -7.634 4.324 1.00 0.00 C ATOM 838 OH TYR A 114 6.521 -8.422 3.877 1.00 0.00 O ATOM 0 H TYR A 114 0.718 -3.699 6.909 1.00 0.00 H new ATOM 0 HA TYR A 114 3.486 -3.751 6.731 1.00 0.00 H new ATOM 0 HB2 TYR A 114 1.811 -5.658 6.608 1.00 0.00 H new ATOM 0 HB3 TYR A 114 1.460 -5.177 4.960 1.00 0.00 H new ATOM 0 HD1 TYR A 114 4.109 -6.522 7.184 1.00 0.00 H new ATOM 0 HD2 TYR A 114 2.935 -5.775 3.157 1.00 0.00 H new ATOM 0 HE1 TYR A 114 5.960 -7.925 6.386 1.00 0.00 H new ATOM 0 HE2 TYR A 114 4.789 -7.175 2.356 1.00 0.00 H new ATOM 0 HH TYR A 114 6.514 -8.447 2.897 1.00 0.00 H new ATOM 848 N HIS A 115 2.072 -2.839 3.878 1.00 0.00 N ATOM 849 CA HIS A 115 2.331 -2.152 2.617 1.00 0.00 C ATOM 850 C HIS A 115 2.538 -0.652 2.822 1.00 0.00 C ATOM 851 O HIS A 115 3.350 -0.036 2.132 1.00 0.00 O ATOM 852 CB HIS A 115 1.190 -2.402 1.629 1.00 0.00 C ATOM 853 CG HIS A 115 1.263 -3.744 0.966 1.00 0.00 C ATOM 854 ND1 HIS A 115 0.155 -4.550 0.849 1.00 0.00 N ATOM 855 CD2 HIS A 115 2.326 -4.367 0.399 1.00 0.00 C ATOM 856 CE1 HIS A 115 0.565 -5.636 0.217 1.00 0.00 C ATOM 857 NE2 HIS A 115 1.873 -5.571 -0.076 1.00 0.00 N ATOM 0 H HIS A 115 1.114 -3.172 3.988 1.00 0.00 H new ATOM 0 HA HIS A 115 3.254 -2.559 2.204 1.00 0.00 H new ATOM 0 HB2 HIS A 115 0.239 -2.315 2.154 1.00 0.00 H new ATOM 0 HB3 HIS A 115 1.204 -1.625 0.864 1.00 0.00 H new ATOM 0 HD2 HIS A 115 3.335 -3.988 0.334 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -0.073 -6.471 -0.032 1.00 0.00 H new ATOM 0 HE2 HIS A 115 2.424 -6.281 -0.559 1.00 0.00 H new ATOM 865 N LYS A 116 1.807 -0.066 3.764 1.00 0.00 N ATOM 866 CA LYS A 116 1.941 1.362 4.037 1.00 0.00 C ATOM 867 C LYS A 116 3.389 1.709 4.353 1.00 0.00 C ATOM 868 O LYS A 116 3.975 2.593 3.735 1.00 0.00 O ATOM 869 CB LYS A 116 1.055 1.782 5.212 1.00 0.00 C ATOM 870 CG LYS A 116 1.167 3.261 5.554 1.00 0.00 C ATOM 871 CD LYS A 116 0.709 3.549 6.976 1.00 0.00 C ATOM 872 CE LYS A 116 1.821 3.301 7.984 1.00 0.00 C ATOM 873 NZ LYS A 116 2.931 4.283 7.842 1.00 0.00 N ATOM 0 H LYS A 116 1.123 -0.550 4.346 1.00 0.00 H new ATOM 0 HA LYS A 116 1.623 1.901 3.144 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.017 1.549 4.976 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.323 1.192 6.089 1.00 0.00 H new ATOM 0 HG2 LYS A 116 2.201 3.585 5.433 1.00 0.00 H new ATOM 0 HG3 LYS A 116 0.567 3.842 4.854 1.00 0.00 H new ATOM 0 HD2 LYS A 116 0.376 4.584 7.049 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -0.148 2.920 7.217 1.00 0.00 H new ATOM 0 HE2 LYS A 116 1.414 3.357 8.994 1.00 0.00 H new ATOM 0 HE3 LYS A 116 2.211 2.292 7.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 3.476 4.321 8.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 3.555 3.991 7.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 2.538 5.224 7.637 1.00 0.00 H new ATOM 887 N ASN A 117 3.956 0.991 5.315 1.00 0.00 N ATOM 888 CA ASN A 117 5.334 1.215 5.739 1.00 0.00 C ATOM 889 C ASN A 117 6.326 0.766 4.667 1.00 0.00 C ATOM 890 O ASN A 117 7.356 1.404 4.453 1.00 0.00 O ATOM 891 CB ASN A 117 5.597 0.457 7.042 1.00 0.00 C ATOM 892 CG ASN A 117 6.774 1.016 7.817 1.00 0.00 C ATOM 893 OD1 ASN A 117 7.047 2.214 7.773 1.00 0.00 O ATOM 894 ND2 ASN A 117 7.476 0.146 8.534 1.00 0.00 N ATOM 0 H ASN A 117 3.479 0.244 5.820 1.00 0.00 H new ATOM 0 HA ASN A 117 5.474 2.284 5.899 1.00 0.00 H new ATOM 0 HB2 ASN A 117 4.705 0.496 7.667 1.00 0.00 H new ATOM 0 HB3 ASN A 117 5.782 -0.593 6.816 1.00 0.00 H new ATOM 0 HD21 ASN A 117 8.278 0.463 9.078 1.00 0.00 H new ATOM 0 HD22 ASN A 117 7.213 -0.839 8.541 1.00 0.00 H new ATOM 901 N LEU A 118 6.002 -0.331 3.996 1.00 0.00 N ATOM 902 CA LEU A 118 6.862 -0.885 2.956 1.00 0.00 C ATOM 903 C LEU A 118 7.024 0.080 1.781 1.00 0.00 C ATOM 904 O LEU A 118 8.091 0.158 1.174 1.00 0.00 O ATOM 905 CB LEU A 118 6.275 -2.214 2.464 1.00 0.00 C ATOM 906 CG LEU A 118 7.243 -3.146 1.730 1.00 0.00 C ATOM 907 CD1 LEU A 118 6.646 -4.539 1.609 1.00 0.00 C ATOM 908 CD2 LEU A 118 7.583 -2.596 0.353 1.00 0.00 C ATOM 0 H LEU A 118 5.144 -0.859 4.154 1.00 0.00 H new ATOM 0 HA LEU A 118 7.850 -1.050 3.385 1.00 0.00 H new ATOM 0 HB2 LEU A 118 5.868 -2.748 3.323 1.00 0.00 H new ATOM 0 HB3 LEU A 118 5.439 -1.995 1.800 1.00 0.00 H new ATOM 0 HG LEU A 118 8.163 -3.208 2.310 1.00 0.00 H new ATOM 0 HD11 LEU A 118 7.345 -5.190 1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 118 6.453 -4.940 2.604 1.00 0.00 H new ATOM 0 HD13 LEU A 118 5.711 -4.487 1.051 1.00 0.00 H new ATOM 0 HD21 LEU A 118 8.272 -3.275 -0.150 1.00 0.00 H new ATOM 0 HD22 LEU A 118 6.671 -2.502 -0.237 1.00 0.00 H new ATOM 0 HD23 LEU A 118 8.050 -1.617 0.458 1.00 0.00 H new ATOM 920 N ILE A 119 5.972 0.833 1.479 1.00 0.00 N ATOM 921 CA ILE A 119 5.994 1.760 0.348 1.00 0.00 C ATOM 922 C ILE A 119 6.369 3.188 0.744 1.00 0.00 C ATOM 923 O ILE A 119 7.169 3.833 0.067 1.00 0.00 O ATOM 924 CB ILE A 119 4.625 1.777 -0.356 1.00 0.00 C ATOM 925 CG1 ILE A 119 4.244 0.358 -0.771 1.00 0.00 C ATOM 926 CG2 ILE A 119 4.648 2.706 -1.560 1.00 0.00 C ATOM 927 CD1 ILE A 119 2.868 0.251 -1.393 1.00 0.00 C ATOM 0 H ILE A 119 5.094 0.822 1.999 1.00 0.00 H new ATOM 0 HA ILE A 119 6.768 1.394 -0.327 1.00 0.00 H new ATOM 0 HB ILE A 119 3.875 2.155 0.339 1.00 0.00 H new ATOM 0 HG12 ILE A 119 4.983 -0.014 -1.481 1.00 0.00 H new ATOM 0 HG13 ILE A 119 4.288 -0.291 0.104 1.00 0.00 H new ATOM 0 HG21 ILE A 119 3.670 2.702 -2.042 1.00 0.00 H new ATOM 0 HG22 ILE A 119 4.888 3.718 -1.234 1.00 0.00 H new ATOM 0 HG23 ILE A 119 5.403 2.365 -2.269 1.00 0.00 H new ATOM 0 HD11 ILE A 119 2.670 -0.787 -1.661 1.00 0.00 H new ATOM 0 HD12 ILE A 119 2.118 0.591 -0.678 1.00 0.00 H new ATOM 0 HD13 ILE A 119 2.824 0.872 -2.288 1.00 0.00 H new ATOM 939 N GLN A 120 5.792 3.680 1.831 1.00 0.00 N ATOM 940 CA GLN A 120 6.054 5.046 2.283 1.00 0.00 C ATOM 941 C GLN A 120 7.533 5.319 2.552 1.00 0.00 C ATOM 942 O GLN A 120 8.050 6.371 2.178 1.00 0.00 O ATOM 943 CB GLN A 120 5.274 5.349 3.567 1.00 0.00 C ATOM 944 CG GLN A 120 3.974 6.099 3.342 1.00 0.00 C ATOM 945 CD GLN A 120 3.408 6.720 4.612 1.00 0.00 C ATOM 946 OE1 GLN A 120 2.196 6.710 4.829 1.00 0.00 O ATOM 947 NE2 GLN A 120 4.268 7.305 5.443 1.00 0.00 N ATOM 0 H GLN A 120 5.141 3.158 2.417 1.00 0.00 H new ATOM 0 HA GLN A 120 5.730 5.692 1.467 1.00 0.00 H new ATOM 0 HB2 GLN A 120 5.056 4.410 4.076 1.00 0.00 H new ATOM 0 HB3 GLN A 120 5.907 5.934 4.234 1.00 0.00 H new ATOM 0 HG2 GLN A 120 4.139 6.884 2.604 1.00 0.00 H new ATOM 0 HG3 GLN A 120 3.237 5.416 2.921 1.00 0.00 H new ATOM 0 HE21 GLN A 120 5.266 7.295 5.234 1.00 0.00 H new ATOM 0 HE22 GLN A 120 3.929 7.763 6.289 1.00 0.00 H new ATOM 956 N SER A 121 8.210 4.369 3.184 1.00 0.00 N ATOM 957 CA SER A 121 9.607 4.568 3.576 1.00 0.00 C ATOM 958 C SER A 121 10.622 4.325 2.459 1.00 0.00 C ATOM 959 O SER A 121 11.613 3.625 2.663 1.00 0.00 O ATOM 960 CB SER A 121 9.942 3.684 4.776 1.00 0.00 C ATOM 961 OG SER A 121 11.150 4.102 5.390 1.00 0.00 O ATOM 0 H SER A 121 7.823 3.460 3.436 1.00 0.00 H new ATOM 0 HA SER A 121 9.692 5.624 3.833 1.00 0.00 H new ATOM 0 HB2 SER A 121 9.128 3.723 5.500 1.00 0.00 H new ATOM 0 HB3 SER A 121 10.033 2.646 4.455 1.00 0.00 H new ATOM 0 HG SER A 121 11.879 4.065 4.736 1.00 0.00 H new ATOM 967 N VAL A 122 10.394 4.915 1.292 1.00 0.00 N ATOM 968 CA VAL A 122 11.338 4.785 0.186 1.00 0.00 C ATOM 969 C VAL A 122 11.753 6.170 -0.304 1.00 0.00 C ATOM 970 O VAL A 122 12.911 6.397 -0.652 1.00 0.00 O ATOM 971 CB VAL A 122 10.774 3.944 -0.977 1.00 0.00 C ATOM 972 CG1 VAL A 122 11.762 3.901 -2.135 1.00 0.00 C ATOM 973 CG2 VAL A 122 10.452 2.537 -0.495 1.00 0.00 C ATOM 0 H VAL A 122 9.572 5.483 1.087 1.00 0.00 H new ATOM 0 HA VAL A 122 12.212 4.253 0.561 1.00 0.00 H new ATOM 0 HB VAL A 122 9.855 4.410 -1.332 1.00 0.00 H new ATOM 0 HG11 VAL A 122 11.346 3.303 -2.946 1.00 0.00 H new ATOM 0 HG12 VAL A 122 11.950 4.914 -2.491 1.00 0.00 H new ATOM 0 HG13 VAL A 122 12.698 3.455 -1.798 1.00 0.00 H new ATOM 0 HG21 VAL A 122 10.054 1.951 -1.323 1.00 0.00 H new ATOM 0 HG22 VAL A 122 11.359 2.065 -0.119 1.00 0.00 H new ATOM 0 HG23 VAL A 122 9.711 2.586 0.303 1.00 0.00 H new ATOM 983 N ARG A 123 10.791 7.090 -0.346 1.00 0.00 N ATOM 984 CA ARG A 123 11.054 8.466 -0.735 1.00 0.00 C ATOM 985 C ARG A 123 11.067 9.373 0.495 1.00 0.00 C ATOM 986 O ARG A 123 11.673 10.444 0.481 1.00 0.00 O ATOM 987 CB ARG A 123 10.001 8.947 -1.732 1.00 0.00 C ATOM 988 CG ARG A 123 9.941 8.089 -2.980 1.00 0.00 C ATOM 989 CD ARG A 123 9.006 8.664 -4.040 1.00 0.00 C ATOM 990 NE ARG A 123 9.351 10.031 -4.434 1.00 0.00 N ATOM 991 CZ ARG A 123 8.934 10.596 -5.567 1.00 0.00 C ATOM 992 NH1 ARG A 123 8.210 9.901 -6.433 1.00 0.00 N ATOM 993 NH2 ARG A 123 9.247 11.856 -5.840 1.00 0.00 N ATOM 0 H ARG A 123 9.816 6.901 -0.113 1.00 0.00 H new ATOM 0 HA ARG A 123 12.033 8.509 -1.212 1.00 0.00 H new ATOM 0 HB2 ARG A 123 9.024 8.948 -1.250 1.00 0.00 H new ATOM 0 HB3 ARG A 123 10.218 9.977 -2.015 1.00 0.00 H new ATOM 0 HG2 ARG A 123 10.943 7.991 -3.398 1.00 0.00 H new ATOM 0 HG3 ARG A 123 9.608 7.086 -2.712 1.00 0.00 H new ATOM 0 HD2 ARG A 123 9.028 8.023 -4.921 1.00 0.00 H new ATOM 0 HD3 ARG A 123 7.984 8.649 -3.660 1.00 0.00 H new ATOM 0 HE ARG A 123 9.941 10.580 -3.809 1.00 0.00 H new ATOM 0 HH11 ARG A 123 7.970 8.930 -6.234 1.00 0.00 H new ATOM 0 HH12 ARG A 123 7.893 10.337 -7.299 1.00 0.00 H new ATOM 0 HH21 ARG A 123 9.809 12.396 -5.182 1.00 0.00 H new ATOM 0 HH22 ARG A 123 8.926 12.285 -6.708 1.00 0.00 H new ATOM 1007 N ASN A 124 10.391 8.937 1.562 1.00 0.00 N ATOM 1008 CA ASN A 124 10.330 9.708 2.804 1.00 0.00 C ATOM 1009 C ASN A 124 10.008 11.171 2.514 1.00 0.00 C ATOM 1010 O ASN A 124 10.422 12.065 3.251 1.00 0.00 O ATOM 1011 CB ASN A 124 11.667 9.618 3.543 1.00 0.00 C ATOM 1012 CG ASN A 124 12.225 8.210 3.573 1.00 0.00 C ATOM 1013 OD1 ASN A 124 13.432 8.008 3.436 1.00 0.00 O ATOM 1014 ND2 ASN A 124 11.352 7.228 3.760 1.00 0.00 N ATOM 0 H ASN A 124 9.879 8.055 1.589 1.00 0.00 H new ATOM 0 HA ASN A 124 9.540 9.290 3.428 1.00 0.00 H new ATOM 0 HB2 ASN A 124 12.388 10.280 3.063 1.00 0.00 H new ATOM 0 HB3 ASN A 124 11.537 9.975 4.565 1.00 0.00 H new ATOM 0 HD21 ASN A 124 11.673 6.260 3.795 1.00 0.00 H new ATOM 0 HD22 ASN A 124 10.360 7.441 3.869 1.00 0.00 H new ATOM 1021 N ARG A 125 9.262 11.404 1.441 1.00 0.00 N ATOM 1022 CA ARG A 125 8.913 12.759 1.037 1.00 0.00 C ATOM 1023 C ARG A 125 7.651 13.268 1.729 1.00 0.00 C ATOM 1024 O ARG A 125 6.550 12.770 1.493 1.00 0.00 O ATOM 1025 CB ARG A 125 8.733 12.824 -0.480 1.00 0.00 C ATOM 1026 CG ARG A 125 8.457 14.226 -0.998 1.00 0.00 C ATOM 1027 CD ARG A 125 8.365 14.256 -2.515 1.00 0.00 C ATOM 1028 NE ARG A 125 9.318 15.196 -3.100 1.00 0.00 N ATOM 1029 CZ ARG A 125 10.568 14.882 -3.438 1.00 0.00 C ATOM 1030 NH1 ARG A 125 11.029 13.651 -3.244 1.00 0.00 N ATOM 1031 NH2 ARG A 125 11.362 15.803 -3.965 1.00 0.00 N ATOM 0 H ARG A 125 8.888 10.673 0.836 1.00 0.00 H new ATOM 0 HA ARG A 125 9.735 13.406 1.342 1.00 0.00 H new ATOM 0 HB2 ARG A 125 9.631 12.438 -0.961 1.00 0.00 H new ATOM 0 HB3 ARG A 125 7.910 12.170 -0.769 1.00 0.00 H new ATOM 0 HG2 ARG A 125 7.525 14.596 -0.569 1.00 0.00 H new ATOM 0 HG3 ARG A 125 9.249 14.899 -0.668 1.00 0.00 H new ATOM 0 HD2 ARG A 125 8.551 13.257 -2.910 1.00 0.00 H new ATOM 0 HD3 ARG A 125 7.353 14.533 -2.812 1.00 0.00 H new ATOM 0 HE ARG A 125 9.007 16.154 -3.260 1.00 0.00 H new ATOM 0 HH11 ARG A 125 10.425 12.939 -2.834 1.00 0.00 H new ATOM 0 HH12 ARG A 125 11.987 13.418 -3.505 1.00 0.00 H new ATOM 0 HH21 ARG A 125 11.016 16.751 -4.112 1.00 0.00 H new ATOM 0 HH22 ARG A 125 12.319 15.564 -4.224 1.00 0.00 H new ATOM 1045 N ARG A 126 7.834 14.269 2.584 1.00 0.00 N ATOM 1046 CA ARG A 126 6.725 14.895 3.297 1.00 0.00 C ATOM 1047 C ARG A 126 6.946 16.407 3.383 1.00 0.00 C ATOM 1048 O ARG A 126 6.336 17.089 4.206 1.00 0.00 O ATOM 1049 CB ARG A 126 6.574 14.310 4.703 1.00 0.00 C ATOM 1050 CG ARG A 126 5.142 14.347 5.220 1.00 0.00 C ATOM 1051 CD ARG A 126 5.089 14.506 6.732 1.00 0.00 C ATOM 1052 NE ARG A 126 4.831 15.890 7.126 1.00 0.00 N ATOM 1053 CZ ARG A 126 4.782 16.301 8.389 1.00 0.00 C ATOM 1054 NH1 ARG A 126 4.982 15.442 9.378 1.00 0.00 N ATOM 1055 NH2 ARG A 126 4.532 17.574 8.664 1.00 0.00 N ATOM 0 H ARG A 126 8.748 14.667 2.801 1.00 0.00 H new ATOM 0 HA ARG A 126 5.808 14.694 2.743 1.00 0.00 H new ATOM 0 HB2 ARG A 126 6.925 13.278 4.699 1.00 0.00 H new ATOM 0 HB3 ARG A 126 7.215 14.862 5.390 1.00 0.00 H new ATOM 0 HG2 ARG A 126 4.607 15.172 4.749 1.00 0.00 H new ATOM 0 HG3 ARG A 126 4.629 13.429 4.933 1.00 0.00 H new ATOM 0 HD2 ARG A 126 4.309 13.862 7.138 1.00 0.00 H new ATOM 0 HD3 ARG A 126 6.033 14.175 7.165 1.00 0.00 H new ATOM 0 HE ARG A 126 4.680 16.579 6.390 1.00 0.00 H new ATOM 0 HH11 ARG A 126 5.174 14.462 9.171 1.00 0.00 H new ATOM 0 HH12 ARG A 126 4.944 15.761 10.346 1.00 0.00 H new ATOM 0 HH21 ARG A 126 4.377 18.239 7.906 1.00 0.00 H new ATOM 0 HH22 ARG A 126 4.495 17.888 9.634 1.00 0.00 H new ATOM 1069 N LYS A 127 7.827 16.923 2.520 1.00 0.00 N ATOM 1070 CA LYS A 127 8.142 18.346 2.482 1.00 0.00 C ATOM 1071 C LYS A 127 8.731 18.841 3.800 1.00 0.00 C ATOM 1072 O LYS A 127 8.007 19.233 4.714 1.00 0.00 O ATOM 1073 CB LYS A 127 6.906 19.168 2.123 1.00 0.00 C ATOM 1074 CG LYS A 127 6.816 19.511 0.646 1.00 0.00 C ATOM 1075 CD LYS A 127 6.218 20.893 0.435 1.00 0.00 C ATOM 1076 CE LYS A 127 7.160 21.802 -0.342 1.00 0.00 C ATOM 1077 NZ LYS A 127 8.500 21.905 0.303 1.00 0.00 N ATOM 0 H LYS A 127 8.337 16.366 1.834 1.00 0.00 H new ATOM 0 HA LYS A 127 8.898 18.480 1.708 1.00 0.00 H new ATOM 0 HB2 LYS A 127 6.014 18.614 2.415 1.00 0.00 H new ATOM 0 HB3 LYS A 127 6.912 20.091 2.703 1.00 0.00 H new ATOM 0 HG2 LYS A 127 7.810 19.470 0.200 1.00 0.00 H new ATOM 0 HG3 LYS A 127 6.206 18.767 0.134 1.00 0.00 H new ATOM 0 HD2 LYS A 127 5.274 20.803 -0.102 1.00 0.00 H new ATOM 0 HD3 LYS A 127 5.993 21.343 1.402 1.00 0.00 H new ATOM 0 HE2 LYS A 127 7.275 21.421 -1.357 1.00 0.00 H new ATOM 0 HE3 LYS A 127 6.720 22.796 -0.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 8.913 22.837 0.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 8.400 21.790 1.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 9.123 21.160 -0.070 1.00 0.00 H new ATOM 1091 N ARG A 128 10.055 18.821 3.876 1.00 0.00 N ATOM 1092 CA ARG A 128 10.781 19.283 5.052 1.00 0.00 C ATOM 1093 C ARG A 128 12.248 19.503 4.678 1.00 0.00 C ATOM 1094 O ARG A 128 12.548 19.749 3.510 1.00 0.00 O ATOM 1095 CB ARG A 128 10.617 18.289 6.214 1.00 0.00 C ATOM 1096 CG ARG A 128 11.016 16.860 5.879 1.00 0.00 C ATOM 1097 CD ARG A 128 12.226 16.412 6.685 1.00 0.00 C ATOM 1098 NE ARG A 128 12.115 16.772 8.100 1.00 0.00 N ATOM 1099 CZ ARG A 128 11.626 15.969 9.047 1.00 0.00 C ATOM 1100 NH1 ARG A 128 11.139 14.773 8.739 1.00 0.00 N ATOM 1101 NH2 ARG A 128 11.613 16.374 10.311 1.00 0.00 N ATOM 0 H ARG A 128 10.656 18.484 3.124 1.00 0.00 H new ATOM 0 HA ARG A 128 10.371 20.233 5.395 1.00 0.00 H new ATOM 0 HB2 ARG A 128 11.216 18.632 7.057 1.00 0.00 H new ATOM 0 HB3 ARG A 128 9.576 18.296 6.538 1.00 0.00 H new ATOM 0 HG2 ARG A 128 10.178 16.192 6.078 1.00 0.00 H new ATOM 0 HG3 ARG A 128 11.239 16.784 4.815 1.00 0.00 H new ATOM 0 HD2 ARG A 128 12.340 15.332 6.595 1.00 0.00 H new ATOM 0 HD3 ARG A 128 13.126 16.863 6.267 1.00 0.00 H new ATOM 0 HE ARG A 128 12.433 17.700 8.381 1.00 0.00 H new ATOM 0 HH11 ARG A 128 11.136 14.458 7.769 1.00 0.00 H new ATOM 0 HH12 ARG A 128 10.768 14.169 9.473 1.00 0.00 H new ATOM 0 HH21 ARG A 128 11.976 17.296 10.555 1.00 0.00 H new ATOM 0 HH22 ARG A 128 11.240 15.764 11.038 1.00 0.00 H new ATOM 1115 N LYS A 129 13.165 19.436 5.639 1.00 0.00 N ATOM 1116 CA LYS A 129 14.579 19.644 5.325 1.00 0.00 C ATOM 1117 C LYS A 129 15.417 18.412 5.659 1.00 0.00 C ATOM 1118 O LYS A 129 15.663 17.569 4.794 1.00 0.00 O ATOM 1119 CB LYS A 129 15.145 20.883 6.047 1.00 0.00 C ATOM 1120 CG LYS A 129 14.124 21.670 6.858 1.00 0.00 C ATOM 1121 CD LYS A 129 13.230 22.501 5.953 1.00 0.00 C ATOM 1122 CE LYS A 129 12.088 23.138 6.725 1.00 0.00 C ATOM 1123 NZ LYS A 129 11.373 22.149 7.577 1.00 0.00 N ATOM 0 H LYS A 129 12.964 19.244 6.620 1.00 0.00 H new ATOM 0 HA LYS A 129 14.639 19.817 4.251 1.00 0.00 H new ATOM 0 HB2 LYS A 129 15.948 20.564 6.711 1.00 0.00 H new ATOM 0 HB3 LYS A 129 15.589 21.547 5.306 1.00 0.00 H new ATOM 0 HG2 LYS A 129 13.514 20.983 7.446 1.00 0.00 H new ATOM 0 HG3 LYS A 129 14.640 22.322 7.563 1.00 0.00 H new ATOM 0 HD2 LYS A 129 13.822 23.279 5.471 1.00 0.00 H new ATOM 0 HD3 LYS A 129 12.827 21.870 5.161 1.00 0.00 H new ATOM 0 HE2 LYS A 129 12.477 23.942 7.350 1.00 0.00 H new ATOM 0 HE3 LYS A 129 11.385 23.590 6.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 10.416 22.499 7.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 11.307 21.241 7.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 11.895 22.015 8.466 1.00 0.00 H new ATOM 1137 N GLY A 130 15.837 18.297 6.915 1.00 0.00 N ATOM 1138 CA GLY A 130 16.663 17.175 7.317 1.00 0.00 C ATOM 1139 C GLY A 130 18.083 17.599 7.645 1.00 0.00 C ATOM 1140 O GLY A 130 19.046 16.981 7.189 1.00 0.00 O ATOM 0 H GLY A 130 15.620 18.960 7.660 1.00 0.00 H new ATOM 0 HA2 GLY A 130 16.219 16.692 8.188 1.00 0.00 H new ATOM 0 HA3 GLY A 130 16.682 16.435 6.517 1.00 0.00 H new ATOM 1144 N SER A 131 18.212 18.661 8.433 1.00 0.00 N ATOM 1145 CA SER A 131 19.521 19.166 8.827 1.00 0.00 C ATOM 1146 C SER A 131 20.080 18.368 10.001 1.00 0.00 C ATOM 1147 O SER A 131 19.864 18.787 11.158 1.00 0.00 O ATOM 1148 CB SER A 131 19.429 20.650 9.190 1.00 0.00 C ATOM 1149 OG SER A 131 18.244 20.928 9.914 1.00 0.00 O ATOM 1150 OXT SER A 131 20.724 17.328 9.754 1.00 0.00 O ATOM 0 H SER A 131 17.425 19.189 8.811 1.00 0.00 H new ATOM 0 HA SER A 131 20.200 19.051 7.982 1.00 0.00 H new ATOM 0 HB2 SER A 131 20.297 20.936 9.784 1.00 0.00 H new ATOM 0 HB3 SER A 131 19.453 21.251 8.281 1.00 0.00 H new ATOM 0 HG SER A 131 18.195 20.342 10.698 1.00 0.00 H new TER 1156 SER A 131 HETATM 1157 ZN ZN A 1 -1.240 -5.512 2.046 1.00 0.00 ZN