USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=17 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 92 SER OG : rot 140:sc= 0.409 USER MOD Set 1.2: A 96 LYS NZ :NH3+ 180:sc= -0.514 (180deg=-1.61) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.313 K(o=-0.31,f=-2.2!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 CYS SG : rot 56:sc= -0.07 USER MOD Single : A 82 ASN : amide:sc= -0.0895 K(o=-0.089,f=-1) 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+ 150:sc= -0.13 (180deg=-0.652) USER MOD Single : A 90 GLN : amide:sc= -0.19 K(o=-0.19,f=-2.1!) USER MOD Single : A 91 LYS NZ :NH3+ 155:sc= -0.22 (180deg=-1) USER MOD Single : A 94 SER OG : rot 71:sc= 0.0996 USER MOD Single : A 95 GLN : amide:sc= -1.18 K(o=-1.2,f=-0.66) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 153:sc= -0.16 (180deg=-0.779) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= -0.0801 USER MOD Single : A 108 HIS : no HD1:sc= -0.0194 K(o=-0.019,f=-0.89) 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+ 147:sc= -1 (180deg=-1.25) USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 GLN : amide:sc= -1.81 K(o=-1.8,f=-5.6!) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= -0.485 K(o=-0.49,f=-3.3!) USER MOD Single : A 127 LYS NZ :NH3+ 155:sc= -0.273 (180deg=-0.994) USER MOD Single : A 129 LYS NZ :NH3+ 161:sc= -0.193 (180deg=-0.683) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 61 -9.653 0.517 16.735 1.00 0.00 N ATOM 2 CA SER A 61 -9.525 -0.005 15.351 1.00 0.00 C ATOM 3 C SER A 61 -10.512 0.677 14.408 1.00 0.00 C ATOM 4 O SER A 61 -11.641 0.997 14.787 1.00 0.00 O ATOM 5 CB SER A 61 -9.752 -1.517 15.333 1.00 0.00 C ATOM 6 OG SER A 61 -8.783 -2.164 14.529 1.00 0.00 O ATOM 0 HA SER A 61 -8.515 0.213 15.004 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.706 -1.908 16.350 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.750 -1.734 14.952 1.00 0.00 H new ATOM 0 HG SER A 61 -8.947 -3.130 14.533 1.00 0.00 H new ATOM 14 N ASN A 62 -10.073 0.897 13.174 1.00 0.00 N ATOM 15 CA ASN A 62 -10.907 1.537 12.167 1.00 0.00 C ATOM 16 C ASN A 62 -10.869 0.747 10.863 1.00 0.00 C ATOM 17 O ASN A 62 -9.820 0.624 10.230 1.00 0.00 O ATOM 18 CB ASN A 62 -10.437 2.974 11.929 1.00 0.00 C ATOM 19 CG ASN A 62 -11.590 3.956 11.852 1.00 0.00 C ATOM 20 OD1 ASN A 62 -12.679 3.692 12.362 1.00 0.00 O ATOM 21 ND2 ASN A 62 -11.353 5.100 11.223 1.00 0.00 N ATOM 0 H ASN A 62 -9.141 0.640 12.847 1.00 0.00 H new ATOM 0 HA ASN A 62 -11.935 1.558 12.529 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -9.764 3.271 12.733 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -9.865 3.017 11.002 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -12.089 5.802 11.148 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -10.435 5.277 10.815 1.00 0.00 H new ATOM 28 N ALA A 63 -12.018 0.207 10.473 1.00 0.00 N ATOM 29 CA ALA A 63 -12.118 -0.569 9.246 1.00 0.00 C ATOM 30 C ALA A 63 -11.249 -1.820 9.312 1.00 0.00 C ATOM 31 O ALA A 63 -10.105 -1.817 8.856 1.00 0.00 O ATOM 32 CB ALA A 63 -11.723 0.285 8.050 1.00 0.00 C ATOM 0 H ALA A 63 -12.893 0.293 10.990 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.155 -0.885 9.130 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.802 -0.307 7.138 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.388 1.146 7.982 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.696 0.629 8.172 1.00 0.00 H new ATOM 38 N GLY A 64 -11.798 -2.891 9.878 1.00 0.00 N ATOM 39 CA GLY A 64 -11.057 -4.135 9.988 1.00 0.00 C ATOM 40 C GLY A 64 -11.169 -4.984 8.736 1.00 0.00 C ATOM 41 O GLY A 64 -11.436 -6.184 8.811 1.00 0.00 O ATOM 0 H GLY A 64 -12.742 -2.920 10.262 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.007 -3.914 10.182 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.427 -4.701 10.843 1.00 0.00 H new ATOM 45 N GLN A 65 -10.955 -4.357 7.584 1.00 0.00 N ATOM 46 CA GLN A 65 -11.038 -5.039 6.300 1.00 0.00 C ATOM 47 C GLN A 65 -9.711 -5.704 5.950 1.00 0.00 C ATOM 48 O GLN A 65 -8.798 -5.764 6.774 1.00 0.00 O ATOM 49 CB GLN A 65 -11.419 -4.034 5.209 1.00 0.00 C ATOM 50 CG GLN A 65 -12.868 -3.579 5.262 1.00 0.00 C ATOM 51 CD GLN A 65 -13.823 -4.607 4.687 1.00 0.00 C ATOM 52 OE1 GLN A 65 -13.981 -4.708 3.470 1.00 0.00 O ATOM 53 NE2 GLN A 65 -14.479 -5.363 5.558 1.00 0.00 N ATOM 0 H GLN A 65 -10.720 -3.367 7.515 1.00 0.00 H new ATOM 0 HA GLN A 65 -11.802 -5.814 6.368 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.772 -3.161 5.293 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -11.226 -4.482 4.234 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -13.142 -3.372 6.296 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -12.972 -2.644 4.711 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -14.317 -5.246 6.558 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -15.145 -6.061 5.227 1.00 0.00 H new ATOM 62 N LEU A 66 -9.618 -6.212 4.726 1.00 0.00 N ATOM 63 CA LEU A 66 -8.401 -6.855 4.256 1.00 0.00 C ATOM 64 C LEU A 66 -7.743 -6.019 3.163 1.00 0.00 C ATOM 65 O LEU A 66 -8.420 -5.483 2.286 1.00 0.00 O ATOM 66 CB LEU A 66 -8.717 -8.256 3.727 1.00 0.00 C ATOM 67 CG LEU A 66 -9.383 -9.192 4.737 1.00 0.00 C ATOM 68 CD1 LEU A 66 -9.823 -10.480 4.059 1.00 0.00 C ATOM 69 CD2 LEU A 66 -8.436 -9.491 5.890 1.00 0.00 C ATOM 0 H LEU A 66 -10.374 -6.190 4.042 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.708 -6.940 5.093 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.368 -8.162 2.857 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.790 -8.716 3.384 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.267 -8.696 5.138 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -10.295 -11.134 4.792 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -10.535 -10.249 3.267 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.955 -10.981 3.631 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.926 -10.158 6.599 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.534 -9.968 5.506 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.169 -8.561 6.392 1.00 0.00 H new ATOM 81 N CYS A 67 -6.418 -5.911 3.222 1.00 0.00 N ATOM 82 CA CYS A 67 -5.657 -5.143 2.235 1.00 0.00 C ATOM 83 C CYS A 67 -6.143 -5.442 0.815 1.00 0.00 C ATOM 84 O CYS A 67 -6.418 -6.593 0.475 1.00 0.00 O ATOM 85 CB CYS A 67 -4.169 -5.470 2.374 1.00 0.00 C ATOM 86 SG CYS A 67 -3.125 -4.803 1.058 1.00 0.00 S ATOM 0 H CYS A 67 -5.846 -6.347 3.945 1.00 0.00 H new ATOM 0 HA CYS A 67 -5.811 -4.080 2.420 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -3.814 -5.087 3.331 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.050 -6.553 2.401 1.00 0.00 H new ATOM 91 N CYS A 68 -6.248 -4.401 -0.011 1.00 0.00 N ATOM 92 CA CYS A 68 -6.722 -4.563 -1.385 1.00 0.00 C ATOM 93 C CYS A 68 -5.576 -4.520 -2.393 1.00 0.00 C ATOM 94 O CYS A 68 -5.723 -3.975 -3.488 1.00 0.00 O ATOM 95 CB CYS A 68 -7.753 -3.485 -1.726 1.00 0.00 C ATOM 96 SG CYS A 68 -7.079 -1.810 -1.805 1.00 0.00 S ATOM 0 H CYS A 68 -6.013 -3.442 0.245 1.00 0.00 H new ATOM 0 HA CYS A 68 -7.189 -5.546 -1.451 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -8.209 -3.726 -2.686 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -8.547 -3.510 -0.980 1.00 0.00 H new ATOM 0 HG CYS A 68 -6.101 -1.776 -2.661 1.00 0.00 H new ATOM 102 N LEU A 69 -4.438 -5.091 -2.021 1.00 0.00 N ATOM 103 CA LEU A 69 -3.283 -5.144 -2.911 1.00 0.00 C ATOM 104 C LEU A 69 -2.936 -6.596 -3.206 1.00 0.00 C ATOM 105 O LEU A 69 -3.154 -7.473 -2.371 1.00 0.00 O ATOM 106 CB LEU A 69 -2.080 -4.435 -2.290 1.00 0.00 C ATOM 107 CG LEU A 69 -2.324 -2.988 -1.864 1.00 0.00 C ATOM 108 CD1 LEU A 69 -1.058 -2.388 -1.275 1.00 0.00 C ATOM 109 CD2 LEU A 69 -2.813 -2.159 -3.041 1.00 0.00 C ATOM 0 H LEU A 69 -4.289 -5.524 -1.110 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.535 -4.632 -3.839 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.754 -5.003 -1.419 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.259 -4.452 -3.007 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.098 -2.980 -1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.249 -1.357 -0.977 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.752 -2.967 -0.404 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.264 -2.409 -2.022 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.981 -1.132 -2.718 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.063 -2.172 -3.832 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.746 -2.578 -3.418 1.00 0.00 H new ATOM 121 N ARG A 70 -2.400 -6.852 -4.392 1.00 0.00 N ATOM 122 CA ARG A 70 -2.045 -8.210 -4.773 1.00 0.00 C ATOM 123 C ARG A 70 -0.565 -8.327 -5.114 1.00 0.00 C ATOM 124 O ARG A 70 -0.107 -7.786 -6.120 1.00 0.00 O ATOM 125 CB ARG A 70 -2.877 -8.667 -5.968 1.00 0.00 C ATOM 126 CG ARG A 70 -4.293 -8.117 -5.978 1.00 0.00 C ATOM 127 CD ARG A 70 -5.109 -8.728 -7.105 1.00 0.00 C ATOM 128 NE ARG A 70 -4.432 -8.594 -8.391 1.00 0.00 N ATOM 129 CZ ARG A 70 -4.938 -9.016 -9.542 1.00 0.00 C ATOM 130 NH1 ARG A 70 -6.134 -9.587 -9.575 1.00 0.00 N ATOM 131 NH2 ARG A 70 -4.249 -8.863 -10.665 1.00 0.00 N ATOM 0 H ARG A 70 -2.203 -6.144 -5.100 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.255 -8.851 -3.917 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -2.373 -8.364 -6.886 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.921 -9.756 -5.973 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.774 -8.325 -5.022 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.265 -7.033 -6.091 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.288 -9.783 -6.895 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.084 -8.243 -7.154 1.00 0.00 H new ATOM 0 HE ARG A 70 -3.514 -8.149 -8.405 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.668 -9.703 -8.714 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.520 -9.910 -10.462 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -3.330 -8.421 -10.643 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -4.638 -9.188 -11.550 1.00 0.00 H new ATOM 145 N GLU A 71 0.179 -9.033 -4.272 1.00 0.00 N ATOM 146 CA GLU A 71 1.602 -9.235 -4.503 1.00 0.00 C ATOM 147 C GLU A 71 1.832 -10.578 -5.186 1.00 0.00 C ATOM 148 O GLU A 71 1.679 -11.633 -4.568 1.00 0.00 O ATOM 149 CB GLU A 71 2.379 -9.178 -3.189 1.00 0.00 C ATOM 150 CG GLU A 71 3.868 -9.428 -3.359 1.00 0.00 C ATOM 151 CD GLU A 71 4.543 -9.826 -2.064 1.00 0.00 C ATOM 152 OE1 GLU A 71 3.823 -10.130 -1.089 1.00 0.00 O ATOM 153 OE2 GLU A 71 5.790 -9.841 -2.025 1.00 0.00 O ATOM 0 H GLU A 71 -0.179 -9.474 -3.425 1.00 0.00 H new ATOM 0 HA GLU A 71 1.963 -8.435 -5.150 1.00 0.00 H new ATOM 0 HB2 GLU A 71 2.232 -8.200 -2.730 1.00 0.00 H new ATOM 0 HB3 GLU A 71 1.970 -9.918 -2.501 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.019 -10.214 -4.099 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.342 -8.527 -3.749 1.00 0.00 H new ATOM 160 N ASP A 72 2.195 -10.531 -6.463 1.00 0.00 N ATOM 161 CA ASP A 72 2.426 -11.746 -7.238 1.00 0.00 C ATOM 162 C ASP A 72 1.157 -12.589 -7.314 1.00 0.00 C ATOM 163 O ASP A 72 1.215 -13.801 -7.519 1.00 0.00 O ATOM 164 CB ASP A 72 3.571 -12.564 -6.635 1.00 0.00 C ATOM 165 CG ASP A 72 4.904 -12.261 -7.292 1.00 0.00 C ATOM 166 OD1 ASP A 72 5.578 -11.305 -6.856 1.00 0.00 O ATOM 167 OD2 ASP A 72 5.271 -12.979 -8.246 1.00 0.00 O ATOM 0 H ASP A 72 2.336 -9.665 -6.984 1.00 0.00 H new ATOM 0 HA ASP A 72 2.706 -11.452 -8.249 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.639 -12.357 -5.567 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.350 -13.626 -6.740 1.00 0.00 H new ATOM 172 N GLY A 73 0.007 -11.935 -7.152 1.00 0.00 N ATOM 173 CA GLY A 73 -1.264 -12.635 -7.215 1.00 0.00 C ATOM 174 C GLY A 73 -1.851 -12.945 -5.849 1.00 0.00 C ATOM 175 O GLY A 73 -2.928 -13.533 -5.755 1.00 0.00 O ATOM 0 H GLY A 73 -0.065 -10.933 -6.978 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.975 -12.031 -7.779 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.130 -13.567 -7.765 1.00 0.00 H new ATOM 179 N GLU A 74 -1.158 -12.549 -4.787 1.00 0.00 N ATOM 180 CA GLU A 74 -1.631 -12.807 -3.431 1.00 0.00 C ATOM 181 C GLU A 74 -2.318 -11.582 -2.848 1.00 0.00 C ATOM 182 O GLU A 74 -1.703 -10.525 -2.714 1.00 0.00 O ATOM 183 CB GLU A 74 -0.457 -13.234 -2.543 1.00 0.00 C ATOM 184 CG GLU A 74 -0.624 -14.609 -1.912 1.00 0.00 C ATOM 185 CD GLU A 74 -1.236 -15.623 -2.860 1.00 0.00 C ATOM 186 OE1 GLU A 74 -0.487 -16.229 -3.653 1.00 0.00 O ATOM 187 OE2 GLU A 74 -2.471 -15.799 -2.815 1.00 0.00 O ATOM 0 H GLU A 74 -0.270 -12.050 -4.838 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.363 -13.614 -3.469 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.456 -13.228 -3.138 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.327 -12.496 -1.751 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.349 -14.971 -1.579 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.252 -14.523 -1.025 1.00 0.00 H new ATOM 194 N ARG A 75 -3.590 -11.731 -2.471 1.00 0.00 N ATOM 195 CA ARG A 75 -4.353 -10.614 -1.918 1.00 0.00 C ATOM 196 C ARG A 75 -3.930 -10.301 -0.483 1.00 0.00 C ATOM 197 O ARG A 75 -4.780 -10.153 0.383 1.00 0.00 O ATOM 198 CB ARG A 75 -5.846 -10.981 -1.930 1.00 0.00 C ATOM 199 CG ARG A 75 -6.710 -10.046 -2.754 1.00 0.00 C ATOM 200 CD ARG A 75 -6.511 -10.283 -4.239 1.00 0.00 C ATOM 201 NE ARG A 75 -6.716 -11.689 -4.602 1.00 0.00 N ATOM 202 CZ ARG A 75 -7.650 -12.139 -5.445 1.00 0.00 C ATOM 203 NH1 ARG A 75 -8.530 -11.321 -6.015 1.00 0.00 N ATOM 204 NH2 ARG A 75 -7.703 -13.436 -5.718 1.00 0.00 N ATOM 0 H ARG A 75 -4.108 -12.607 -2.538 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.163 -9.732 -2.529 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.956 -11.994 -2.316 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -6.215 -10.989 -0.904 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -7.759 -10.194 -2.497 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -6.465 -9.012 -2.512 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -7.204 -9.658 -4.802 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.504 -9.978 -4.523 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.096 -12.379 -4.177 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -8.503 -10.322 -5.813 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -9.232 -11.693 -6.655 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -7.036 -14.076 -5.286 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.411 -13.794 -6.360 1.00 0.00 H new ATOM 218 N CYS A 76 -2.633 -10.061 -0.286 1.00 0.00 N ATOM 219 CA CYS A 76 -2.062 -9.751 1.029 1.00 0.00 C ATOM 220 C CYS A 76 -2.579 -10.657 2.159 1.00 0.00 C ATOM 221 O CYS A 76 -1.829 -11.459 2.716 1.00 0.00 O ATOM 222 CB CYS A 76 -2.330 -8.293 1.375 1.00 0.00 C ATOM 223 SG CYS A 76 -1.170 -7.601 2.575 1.00 0.00 S ATOM 0 H CYS A 76 -1.944 -10.076 -1.038 1.00 0.00 H new ATOM 0 HA CYS A 76 -0.991 -9.938 0.951 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -2.290 -7.700 0.462 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -3.342 -8.203 1.769 1.00 0.00 H new ATOM 228 N GLY A 77 -3.847 -10.498 2.521 1.00 0.00 N ATOM 229 CA GLY A 77 -4.428 -11.282 3.592 1.00 0.00 C ATOM 230 C GLY A 77 -4.437 -10.494 4.878 1.00 0.00 C ATOM 231 O GLY A 77 -5.346 -10.618 5.699 1.00 0.00 O ATOM 0 H GLY A 77 -4.487 -9.833 2.086 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.445 -11.571 3.329 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.860 -12.202 3.726 1.00 0.00 H new ATOM 235 N ARG A 78 -3.408 -9.670 5.037 1.00 0.00 N ATOM 236 CA ARG A 78 -3.263 -8.823 6.206 1.00 0.00 C ATOM 237 C ARG A 78 -4.418 -7.831 6.282 1.00 0.00 C ATOM 238 O ARG A 78 -4.896 -7.344 5.257 1.00 0.00 O ATOM 239 CB ARG A 78 -1.931 -8.077 6.127 1.00 0.00 C ATOM 240 CG ARG A 78 -1.476 -7.479 7.446 1.00 0.00 C ATOM 241 CD ARG A 78 -0.166 -6.728 7.276 1.00 0.00 C ATOM 242 NE ARG A 78 0.670 -6.807 8.466 1.00 0.00 N ATOM 243 CZ ARG A 78 1.438 -7.852 8.750 1.00 0.00 C ATOM 244 NH1 ARG A 78 1.445 -8.910 7.951 1.00 0.00 N ATOM 245 NH2 ARG A 78 2.195 -7.843 9.838 1.00 0.00 N ATOM 0 H ARG A 78 -2.653 -9.573 4.358 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.278 -9.440 7.104 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.164 -8.763 5.767 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.017 -7.279 5.389 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.241 -6.802 7.827 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.353 -8.270 8.186 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.378 -7.137 6.424 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.375 -5.683 7.049 1.00 0.00 H new ATOM 0 HE ARG A 78 0.665 -6.019 9.114 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.859 -8.922 7.116 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.036 -9.712 8.171 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.188 -7.033 10.458 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.785 -8.646 10.056 1.00 0.00 H new ATOM 259 N ALA A 79 -4.861 -7.535 7.495 1.00 0.00 N ATOM 260 CA ALA A 79 -5.966 -6.606 7.697 1.00 0.00 C ATOM 261 C ALA A 79 -5.589 -5.191 7.274 1.00 0.00 C ATOM 262 O ALA A 79 -4.409 -4.836 7.234 1.00 0.00 O ATOM 263 CB ALA A 79 -6.401 -6.619 9.154 1.00 0.00 C ATOM 0 H ALA A 79 -4.473 -7.924 8.355 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.797 -6.932 7.071 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.227 -5.921 9.293 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.724 -7.623 9.428 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.564 -6.322 9.786 1.00 0.00 H new ATOM 269 N ALA A 80 -6.599 -4.389 6.951 1.00 0.00 N ATOM 270 CA ALA A 80 -6.378 -3.006 6.550 1.00 0.00 C ATOM 271 C ALA A 80 -5.974 -2.172 7.760 1.00 0.00 C ATOM 272 O ALA A 80 -6.352 -2.484 8.888 1.00 0.00 O ATOM 273 CB ALA A 80 -7.628 -2.433 5.896 1.00 0.00 C ATOM 0 H ALA A 80 -7.578 -4.674 6.960 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.570 -2.977 5.819 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.444 -1.399 5.603 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.879 -3.021 5.013 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.457 -2.468 6.603 1.00 0.00 H new ATOM 279 N GLY A 81 -5.212 -1.109 7.524 1.00 0.00 N ATOM 280 CA GLY A 81 -4.756 -0.276 8.620 1.00 0.00 C ATOM 281 C GLY A 81 -5.435 1.079 8.688 1.00 0.00 C ATOM 282 O GLY A 81 -6.663 1.171 8.728 1.00 0.00 O ATOM 0 H GLY A 81 -4.904 -0.811 6.598 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.925 -0.803 9.559 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.680 -0.128 8.527 1.00 0.00 H new ATOM 286 N ASN A 82 -4.623 2.133 8.700 1.00 0.00 N ATOM 287 CA ASN A 82 -5.127 3.500 8.796 1.00 0.00 C ATOM 288 C ASN A 82 -4.902 4.287 7.507 1.00 0.00 C ATOM 289 O ASN A 82 -5.666 5.198 7.187 1.00 0.00 O ATOM 290 CB ASN A 82 -4.432 4.218 9.956 1.00 0.00 C ATOM 291 CG ASN A 82 -5.402 4.683 11.021 1.00 0.00 C ATOM 292 OD1 ASN A 82 -6.561 4.976 10.736 1.00 0.00 O ATOM 293 ND2 ASN A 82 -4.926 4.759 12.258 1.00 0.00 N ATOM 0 H ASN A 82 -3.607 2.065 8.644 1.00 0.00 H new ATOM 0 HA ASN A 82 -6.202 3.445 8.969 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -3.699 3.548 10.406 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -3.884 5.077 9.570 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -5.530 5.071 13.019 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -3.956 4.505 12.448 1.00 0.00 H new ATOM 300 N ALA A 83 -3.850 3.940 6.777 1.00 0.00 N ATOM 301 CA ALA A 83 -3.522 4.636 5.538 1.00 0.00 C ATOM 302 C ALA A 83 -4.478 4.275 4.408 1.00 0.00 C ATOM 303 O ALA A 83 -5.262 3.332 4.514 1.00 0.00 O ATOM 304 CB ALA A 83 -2.089 4.332 5.129 1.00 0.00 C ATOM 0 H ALA A 83 -3.211 3.183 7.020 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.627 5.704 5.726 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.856 4.857 4.203 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.409 4.662 5.914 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.974 3.259 4.976 1.00 0.00 H new ATOM 310 N SER A 84 -4.402 5.041 3.327 1.00 0.00 N ATOM 311 CA SER A 84 -5.245 4.817 2.161 1.00 0.00 C ATOM 312 C SER A 84 -4.388 4.701 0.907 1.00 0.00 C ATOM 313 O SER A 84 -3.182 4.946 0.946 1.00 0.00 O ATOM 314 CB SER A 84 -6.239 5.970 1.993 1.00 0.00 C ATOM 315 OG SER A 84 -6.591 6.529 3.247 1.00 0.00 O ATOM 0 H SER A 84 -3.760 5.828 3.234 1.00 0.00 H new ATOM 0 HA SER A 84 -5.796 3.888 2.309 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.802 6.741 1.358 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.135 5.610 1.487 1.00 0.00 H new ATOM 0 HG SER A 84 -7.225 7.264 3.111 1.00 0.00 H new ATOM 321 N PHE A 85 -5.010 4.321 -0.200 1.00 0.00 N ATOM 322 CA PHE A 85 -4.300 4.201 -1.467 1.00 0.00 C ATOM 323 C PHE A 85 -4.418 5.507 -2.238 1.00 0.00 C ATOM 324 O PHE A 85 -5.485 5.843 -2.751 1.00 0.00 O ATOM 325 CB PHE A 85 -4.867 3.045 -2.286 1.00 0.00 C ATOM 326 CG PHE A 85 -4.115 2.766 -3.555 1.00 0.00 C ATOM 327 CD1 PHE A 85 -2.895 2.108 -3.527 1.00 0.00 C ATOM 328 CD2 PHE A 85 -4.642 3.140 -4.780 1.00 0.00 C ATOM 329 CE1 PHE A 85 -2.215 1.831 -4.699 1.00 0.00 C ATOM 330 CE2 PHE A 85 -3.971 2.861 -5.953 1.00 0.00 C ATOM 331 CZ PHE A 85 -2.757 2.207 -5.912 1.00 0.00 C ATOM 0 H PHE A 85 -6.003 4.091 -0.247 1.00 0.00 H new ATOM 0 HA PHE A 85 -3.248 3.995 -1.271 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.868 2.145 -1.672 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.906 3.264 -2.533 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -2.471 1.809 -2.580 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.590 3.656 -4.818 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -1.263 1.322 -4.666 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.396 3.154 -6.902 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.230 1.989 -6.829 1.00 0.00 H new ATOM 341 N SER A 86 -3.319 6.246 -2.308 1.00 0.00 N ATOM 342 CA SER A 86 -3.312 7.532 -2.990 1.00 0.00 C ATOM 343 C SER A 86 -2.453 7.502 -4.252 1.00 0.00 C ATOM 344 O SER A 86 -2.065 6.438 -4.734 1.00 0.00 O ATOM 345 CB SER A 86 -2.808 8.613 -2.030 1.00 0.00 C ATOM 346 OG SER A 86 -1.451 8.395 -1.686 1.00 0.00 O ATOM 0 H SER A 86 -2.423 5.977 -1.902 1.00 0.00 H new ATOM 0 HA SER A 86 -4.332 7.759 -3.299 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.916 9.594 -2.492 1.00 0.00 H new ATOM 0 HB3 SER A 86 -3.419 8.617 -1.128 1.00 0.00 H new ATOM 0 HG SER A 86 -1.152 9.099 -1.074 1.00 0.00 H new ATOM 352 N LYS A 87 -2.186 8.688 -4.790 1.00 0.00 N ATOM 353 CA LYS A 87 -1.383 8.835 -5.999 1.00 0.00 C ATOM 354 C LYS A 87 0.098 8.699 -5.664 1.00 0.00 C ATOM 355 O LYS A 87 0.854 8.021 -6.362 1.00 0.00 O ATOM 356 CB LYS A 87 -1.639 10.194 -6.678 1.00 0.00 C ATOM 357 CG LYS A 87 -2.967 10.866 -6.315 1.00 0.00 C ATOM 358 CD LYS A 87 -3.831 11.107 -7.535 1.00 0.00 C ATOM 359 CE LYS A 87 -4.947 10.078 -7.631 1.00 0.00 C ATOM 360 NZ LYS A 87 -5.882 10.156 -6.471 1.00 0.00 N ATOM 0 H LYS A 87 -2.519 9.571 -4.402 1.00 0.00 H new ATOM 0 HA LYS A 87 -1.674 8.046 -6.692 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.825 10.871 -6.418 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.605 10.054 -7.758 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -3.508 10.240 -5.605 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.769 11.815 -5.817 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.259 12.108 -7.489 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -3.216 11.065 -8.434 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -5.503 10.232 -8.556 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -4.515 9.079 -7.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -6.833 9.859 -6.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -5.547 9.529 -5.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.919 11.134 -6.120 1.00 0.00 H new ATOM 374 N ARG A 88 0.498 9.357 -4.579 1.00 0.00 N ATOM 375 CA ARG A 88 1.880 9.332 -4.117 1.00 0.00 C ATOM 376 C ARG A 88 2.370 7.896 -3.996 1.00 0.00 C ATOM 377 O ARG A 88 3.484 7.574 -4.411 1.00 0.00 O ATOM 378 CB ARG A 88 1.977 10.073 -2.773 1.00 0.00 C ATOM 379 CG ARG A 88 3.214 9.748 -1.942 1.00 0.00 C ATOM 380 CD ARG A 88 2.983 8.549 -1.034 1.00 0.00 C ATOM 381 NE ARG A 88 1.675 8.597 -0.378 1.00 0.00 N ATOM 382 CZ ARG A 88 1.448 9.125 0.824 1.00 0.00 C ATOM 383 NH1 ARG A 88 2.429 9.703 1.508 1.00 0.00 N ATOM 384 NH2 ARG A 88 0.226 9.090 1.338 1.00 0.00 N ATOM 0 H ARG A 88 -0.124 9.919 -3.999 1.00 0.00 H new ATOM 0 HA ARG A 88 2.520 9.837 -4.840 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.959 11.146 -2.965 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.091 9.840 -2.183 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.055 9.546 -2.605 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.485 10.614 -1.339 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.061 7.632 -1.618 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.766 8.512 -0.277 1.00 0.00 H new ATOM 0 HE ARG A 88 0.880 8.197 -0.877 1.00 0.00 H new ATOM 0 HH11 ARG A 88 3.369 9.746 1.114 1.00 0.00 H new ATOM 0 HH12 ARG A 88 2.242 10.104 2.427 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.536 8.660 0.813 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.048 9.493 2.258 1.00 0.00 H new ATOM 398 N ILE A 89 1.532 7.034 -3.438 1.00 0.00 N ATOM 399 CA ILE A 89 1.886 5.633 -3.285 1.00 0.00 C ATOM 400 C ILE A 89 2.037 4.976 -4.652 1.00 0.00 C ATOM 401 O ILE A 89 2.946 4.177 -4.868 1.00 0.00 O ATOM 402 CB ILE A 89 0.834 4.867 -2.456 1.00 0.00 C ATOM 403 CG1 ILE A 89 0.688 5.512 -1.075 1.00 0.00 C ATOM 404 CG2 ILE A 89 1.221 3.401 -2.329 1.00 0.00 C ATOM 405 CD1 ILE A 89 -0.124 4.692 -0.097 1.00 0.00 C ATOM 0 H ILE A 89 0.607 7.280 -3.086 1.00 0.00 H new ATOM 0 HA ILE A 89 2.835 5.591 -2.751 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.127 4.919 -2.968 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.680 5.680 -0.657 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.221 6.490 -1.189 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.468 2.876 -1.741 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.284 2.954 -3.321 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.189 3.322 -1.833 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.181 5.216 0.857 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.129 4.546 -0.492 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.353 3.723 0.049 1.00 0.00 H new ATOM 417 N GLN A 90 1.148 5.329 -5.579 1.00 0.00 N ATOM 418 CA GLN A 90 1.202 4.778 -6.928 1.00 0.00 C ATOM 419 C GLN A 90 2.531 5.127 -7.582 1.00 0.00 C ATOM 420 O GLN A 90 3.243 4.253 -8.079 1.00 0.00 O ATOM 421 CB GLN A 90 0.053 5.318 -7.782 1.00 0.00 C ATOM 422 CG GLN A 90 0.080 4.804 -9.213 1.00 0.00 C ATOM 423 CD GLN A 90 0.277 5.908 -10.234 1.00 0.00 C ATOM 424 OE1 GLN A 90 0.754 6.995 -9.908 1.00 0.00 O ATOM 425 NE2 GLN A 90 -0.069 5.624 -11.484 1.00 0.00 N ATOM 0 H GLN A 90 0.387 5.990 -5.420 1.00 0.00 H new ATOM 0 HA GLN A 90 1.106 3.695 -6.857 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.895 5.042 -7.321 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.097 6.407 -7.793 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.882 4.074 -9.316 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -0.854 4.283 -9.424 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.461 4.710 -11.709 1.00 0.00 H new ATOM 0 HE22 GLN A 90 0.057 6.320 -12.219 1.00 0.00 H new ATOM 434 N LYS A 91 2.862 6.412 -7.565 1.00 0.00 N ATOM 435 CA LYS A 91 4.107 6.890 -8.141 1.00 0.00 C ATOM 436 C LYS A 91 5.277 6.123 -7.535 1.00 0.00 C ATOM 437 O LYS A 91 6.184 5.684 -8.241 1.00 0.00 O ATOM 438 CB LYS A 91 4.242 8.391 -7.879 1.00 0.00 C ATOM 439 CG LYS A 91 4.571 9.208 -9.118 1.00 0.00 C ATOM 440 CD LYS A 91 6.069 9.312 -9.348 1.00 0.00 C ATOM 441 CE LYS A 91 6.425 10.584 -10.103 1.00 0.00 C ATOM 442 NZ LYS A 91 5.998 11.806 -9.364 1.00 0.00 N ATOM 0 H LYS A 91 2.280 7.143 -7.156 1.00 0.00 H new ATOM 0 HA LYS A 91 4.109 6.724 -9.218 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.310 8.760 -7.450 1.00 0.00 H new ATOM 0 HB3 LYS A 91 5.021 8.551 -7.134 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.101 8.751 -9.989 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.149 10.208 -9.016 1.00 0.00 H new ATOM 0 HD2 LYS A 91 6.588 9.298 -8.390 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.414 8.444 -9.910 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.502 10.618 -10.270 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.951 10.569 -11.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.591 12.610 -9.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 5.003 12.014 -9.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 6.101 11.647 -8.341 1.00 0.00 H new ATOM 456 N SER A 92 5.235 5.958 -6.215 1.00 0.00 N ATOM 457 CA SER A 92 6.271 5.223 -5.503 1.00 0.00 C ATOM 458 C SER A 92 6.428 3.833 -6.107 1.00 0.00 C ATOM 459 O SER A 92 7.533 3.415 -6.456 1.00 0.00 O ATOM 460 CB SER A 92 5.914 5.115 -4.018 1.00 0.00 C ATOM 461 OG SER A 92 6.755 4.187 -3.355 1.00 0.00 O ATOM 0 H SER A 92 4.493 6.325 -5.619 1.00 0.00 H new ATOM 0 HA SER A 92 7.215 5.759 -5.598 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.006 6.094 -3.547 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.874 4.807 -3.913 1.00 0.00 H new ATOM 0 HG SER A 92 6.994 4.536 -2.471 1.00 0.00 H new ATOM 467 N ILE A 93 5.311 3.122 -6.225 1.00 0.00 N ATOM 468 CA ILE A 93 5.312 1.785 -6.802 1.00 0.00 C ATOM 469 C ILE A 93 5.926 1.813 -8.197 1.00 0.00 C ATOM 470 O ILE A 93 6.692 0.925 -8.570 1.00 0.00 O ATOM 471 CB ILE A 93 3.881 1.211 -6.895 1.00 0.00 C ATOM 472 CG1 ILE A 93 3.248 1.126 -5.505 1.00 0.00 C ATOM 473 CG2 ILE A 93 3.892 -0.159 -7.557 1.00 0.00 C ATOM 474 CD1 ILE A 93 1.757 0.869 -5.537 1.00 0.00 C ATOM 0 H ILE A 93 4.393 3.451 -5.928 1.00 0.00 H new ATOM 0 HA ILE A 93 5.905 1.146 -6.147 1.00 0.00 H new ATOM 0 HB ILE A 93 3.283 1.884 -7.509 1.00 0.00 H new ATOM 0 HG12 ILE A 93 3.734 0.330 -4.941 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.437 2.057 -4.970 1.00 0.00 H new ATOM 0 HG21 ILE A 93 2.874 -0.545 -7.612 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.303 -0.074 -8.563 1.00 0.00 H new ATOM 0 HG23 ILE A 93 4.507 -0.842 -6.971 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.374 0.821 -4.518 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.260 1.677 -6.073 1.00 0.00 H new ATOM 0 HD13 ILE A 93 1.562 -0.076 -6.043 1.00 0.00 H new ATOM 486 N SER A 94 5.583 2.846 -8.959 1.00 0.00 N ATOM 487 CA SER A 94 6.088 3.001 -10.316 1.00 0.00 C ATOM 488 C SER A 94 7.600 3.196 -10.323 1.00 0.00 C ATOM 489 O SER A 94 8.290 2.713 -11.221 1.00 0.00 O ATOM 490 CB SER A 94 5.405 4.184 -11.004 1.00 0.00 C ATOM 491 OG SER A 94 4.014 3.955 -11.149 1.00 0.00 O ATOM 0 H SER A 94 4.955 3.591 -8.657 1.00 0.00 H new ATOM 0 HA SER A 94 5.860 2.087 -10.865 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.569 5.091 -10.422 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.854 4.348 -11.984 1.00 0.00 H new ATOM 0 HG SER A 94 3.581 4.006 -10.271 1.00 0.00 H new ATOM 497 N GLN A 95 8.113 3.906 -9.323 1.00 0.00 N ATOM 498 CA GLN A 95 9.546 4.143 -9.234 1.00 0.00 C ATOM 499 C GLN A 95 10.261 2.869 -8.799 1.00 0.00 C ATOM 500 O GLN A 95 11.392 2.606 -9.211 1.00 0.00 O ATOM 501 CB GLN A 95 9.852 5.288 -8.268 1.00 0.00 C ATOM 502 CG GLN A 95 11.190 5.948 -8.546 1.00 0.00 C ATOM 503 CD GLN A 95 11.329 6.371 -9.997 1.00 0.00 C ATOM 504 OE1 GLN A 95 12.399 6.246 -10.592 1.00 0.00 O ATOM 505 NE2 GLN A 95 10.248 6.887 -10.573 1.00 0.00 N ATOM 0 H GLN A 95 7.563 4.322 -8.571 1.00 0.00 H new ATOM 0 HA GLN A 95 9.910 4.431 -10.220 1.00 0.00 H new ATOM 0 HB2 GLN A 95 9.062 6.036 -8.336 1.00 0.00 H new ATOM 0 HB3 GLN A 95 9.844 4.908 -7.247 1.00 0.00 H new ATOM 0 HG2 GLN A 95 11.304 6.820 -7.902 1.00 0.00 H new ATOM 0 HG3 GLN A 95 11.994 5.257 -8.292 1.00 0.00 H new ATOM 0 HE21 GLN A 95 9.380 6.973 -10.044 1.00 0.00 H new ATOM 0 HE22 GLN A 95 10.286 7.197 -11.544 1.00 0.00 H new ATOM 514 N LYS A 96 9.592 2.083 -7.963 1.00 0.00 N ATOM 515 CA LYS A 96 10.145 0.820 -7.495 1.00 0.00 C ATOM 516 C LYS A 96 9.993 -0.236 -8.578 1.00 0.00 C ATOM 517 O LYS A 96 10.878 -1.065 -8.790 1.00 0.00 O ATOM 518 CB LYS A 96 9.414 0.337 -6.242 1.00 0.00 C ATOM 519 CG LYS A 96 9.501 1.280 -5.060 1.00 0.00 C ATOM 520 CD LYS A 96 8.495 0.900 -3.987 1.00 0.00 C ATOM 521 CE LYS A 96 8.725 1.676 -2.705 1.00 0.00 C ATOM 522 NZ LYS A 96 9.171 3.070 -2.969 1.00 0.00 N ATOM 0 H LYS A 96 8.665 2.299 -7.596 1.00 0.00 H new ATOM 0 HA LYS A 96 11.198 0.977 -7.260 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.364 0.179 -6.488 1.00 0.00 H new ATOM 0 HB3 LYS A 96 9.822 -0.631 -5.949 1.00 0.00 H new ATOM 0 HG2 LYS A 96 10.508 1.256 -4.644 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.317 2.302 -5.391 1.00 0.00 H new ATOM 0 HD2 LYS A 96 7.485 1.089 -4.351 1.00 0.00 H new ATOM 0 HD3 LYS A 96 8.566 -0.169 -3.784 1.00 0.00 H new ATOM 0 HE2 LYS A 96 7.804 1.694 -2.122 1.00 0.00 H new ATOM 0 HE3 LYS A 96 9.474 1.164 -2.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 9.317 3.565 -2.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 10.063 3.054 -3.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 8.445 3.568 -3.523 1.00 0.00 H new ATOM 536 N LYS A 97 8.855 -0.184 -9.264 1.00 0.00 N ATOM 537 CA LYS A 97 8.545 -1.142 -10.312 1.00 0.00 C ATOM 538 C LYS A 97 8.437 -2.538 -9.715 1.00 0.00 C ATOM 539 O LYS A 97 9.395 -3.311 -9.723 1.00 0.00 O ATOM 540 CB LYS A 97 9.596 -1.099 -11.421 1.00 0.00 C ATOM 541 CG LYS A 97 9.160 -0.280 -12.628 1.00 0.00 C ATOM 542 CD LYS A 97 8.537 -1.161 -13.702 1.00 0.00 C ATOM 543 CE LYS A 97 7.658 -0.359 -14.649 1.00 0.00 C ATOM 544 NZ LYS A 97 6.300 -0.126 -14.082 1.00 0.00 N ATOM 0 H LYS A 97 8.131 0.517 -9.109 1.00 0.00 H new ATOM 0 HA LYS A 97 7.587 -0.877 -10.760 1.00 0.00 H new ATOM 0 HB2 LYS A 97 10.520 -0.681 -11.021 1.00 0.00 H new ATOM 0 HB3 LYS A 97 9.819 -2.117 -11.742 1.00 0.00 H new ATOM 0 HG2 LYS A 97 8.442 0.478 -12.315 1.00 0.00 H new ATOM 0 HG3 LYS A 97 10.020 0.247 -13.041 1.00 0.00 H new ATOM 0 HD2 LYS A 97 9.326 -1.656 -14.269 1.00 0.00 H new ATOM 0 HD3 LYS A 97 7.944 -1.944 -13.231 1.00 0.00 H new ATOM 0 HE2 LYS A 97 8.132 0.599 -14.861 1.00 0.00 H new ATOM 0 HE3 LYS A 97 7.570 -0.888 -15.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 5.731 0.424 -14.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 5.837 -1.040 -13.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 6.382 0.401 -13.189 1.00 0.00 H new ATOM 558 N VAL A 98 7.259 -2.838 -9.179 1.00 0.00 N ATOM 559 CA VAL A 98 6.999 -4.126 -8.553 1.00 0.00 C ATOM 560 C VAL A 98 5.640 -4.678 -8.973 1.00 0.00 C ATOM 561 O VAL A 98 4.813 -3.955 -9.530 1.00 0.00 O ATOM 562 CB VAL A 98 7.044 -4.007 -7.018 1.00 0.00 C ATOM 563 CG1 VAL A 98 8.449 -3.664 -6.549 1.00 0.00 C ATOM 564 CG2 VAL A 98 6.047 -2.962 -6.538 1.00 0.00 C ATOM 0 H VAL A 98 6.464 -2.199 -9.167 1.00 0.00 H new ATOM 0 HA VAL A 98 7.779 -4.811 -8.885 1.00 0.00 H new ATOM 0 HB VAL A 98 6.767 -4.970 -6.588 1.00 0.00 H new ATOM 0 HG11 VAL A 98 8.460 -3.584 -5.462 1.00 0.00 H new ATOM 0 HG12 VAL A 98 9.139 -4.448 -6.863 1.00 0.00 H new ATOM 0 HG13 VAL A 98 8.757 -2.714 -6.986 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.091 -2.890 -5.451 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.294 -1.995 -6.976 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.041 -3.252 -6.842 1.00 0.00 H new ATOM 574 N LYS A 99 5.413 -5.960 -8.701 1.00 0.00 N ATOM 575 CA LYS A 99 4.152 -6.604 -9.057 1.00 0.00 C ATOM 576 C LYS A 99 3.065 -6.299 -8.031 1.00 0.00 C ATOM 577 O LYS A 99 2.479 -7.208 -7.445 1.00 0.00 O ATOM 578 CB LYS A 99 4.336 -8.119 -9.175 1.00 0.00 C ATOM 579 CG LYS A 99 5.218 -8.545 -10.339 1.00 0.00 C ATOM 580 CD LYS A 99 4.418 -9.257 -11.422 1.00 0.00 C ATOM 581 CE LYS A 99 3.778 -8.275 -12.389 1.00 0.00 C ATOM 582 NZ LYS A 99 4.792 -7.434 -13.084 1.00 0.00 N ATOM 0 H LYS A 99 6.084 -6.572 -8.236 1.00 0.00 H new ATOM 0 HA LYS A 99 3.840 -6.203 -10.021 1.00 0.00 H new ATOM 0 HB2 LYS A 99 4.768 -8.496 -8.248 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.357 -8.586 -9.284 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.707 -7.669 -10.765 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.006 -9.205 -9.976 1.00 0.00 H new ATOM 0 HD2 LYS A 99 5.072 -9.934 -11.971 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.643 -9.868 -10.959 1.00 0.00 H new ATOM 0 HE2 LYS A 99 3.194 -8.823 -13.128 1.00 0.00 H new ATOM 0 HE3 LYS A 99 3.084 -7.632 -11.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 4.419 -7.131 -14.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 5.005 -6.597 -12.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 5.662 -7.986 -13.227 1.00 0.00 H new ATOM 596 N ILE A 100 2.803 -5.015 -7.816 1.00 0.00 N ATOM 597 CA ILE A 100 1.775 -4.596 -6.872 1.00 0.00 C ATOM 598 C ILE A 100 0.828 -3.599 -7.524 1.00 0.00 C ATOM 599 O ILE A 100 1.251 -2.548 -8.002 1.00 0.00 O ATOM 600 CB ILE A 100 2.383 -3.960 -5.607 1.00 0.00 C ATOM 601 CG1 ILE A 100 3.385 -4.913 -4.956 1.00 0.00 C ATOM 602 CG2 ILE A 100 1.282 -3.591 -4.622 1.00 0.00 C ATOM 603 CD1 ILE A 100 4.030 -4.352 -3.707 1.00 0.00 C ATOM 0 H ILE A 100 3.287 -4.248 -8.282 1.00 0.00 H new ATOM 0 HA ILE A 100 1.227 -5.491 -6.579 1.00 0.00 H new ATOM 0 HB ILE A 100 2.912 -3.051 -5.895 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.878 -5.845 -4.706 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.164 -5.158 -5.679 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.725 -3.143 -3.733 1.00 0.00 H new ATOM 0 HG22 ILE A 100 0.601 -2.878 -5.087 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.731 -4.488 -4.340 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.729 -5.082 -3.299 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.566 -3.436 -3.954 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.260 -4.134 -2.967 1.00 0.00 H new ATOM 615 N GLU A 101 -0.453 -3.939 -7.552 1.00 0.00 N ATOM 616 CA GLU A 101 -1.457 -3.069 -8.147 1.00 0.00 C ATOM 617 C GLU A 101 -2.776 -3.181 -7.399 1.00 0.00 C ATOM 618 O GLU A 101 -3.081 -4.218 -6.810 1.00 0.00 O ATOM 619 CB GLU A 101 -1.668 -3.417 -9.620 1.00 0.00 C ATOM 620 CG GLU A 101 -2.303 -4.779 -9.838 1.00 0.00 C ATOM 621 CD GLU A 101 -3.287 -4.781 -10.989 1.00 0.00 C ATOM 622 OE1 GLU A 101 -3.320 -3.786 -11.743 1.00 0.00 O ATOM 623 OE2 GLU A 101 -4.029 -5.775 -11.135 1.00 0.00 O ATOM 0 H GLU A 101 -0.821 -4.810 -7.170 1.00 0.00 H new ATOM 0 HA GLU A 101 -1.097 -2.043 -8.075 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.298 -2.654 -10.078 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.707 -3.387 -10.133 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -1.522 -5.514 -10.031 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.814 -5.088 -8.926 1.00 0.00 H new ATOM 630 N LEU A 102 -3.558 -2.114 -7.431 1.00 0.00 N ATOM 631 CA LEU A 102 -4.840 -2.098 -6.748 1.00 0.00 C ATOM 632 C LEU A 102 -5.823 -3.078 -7.377 1.00 0.00 C ATOM 633 O LEU A 102 -5.919 -3.187 -8.600 1.00 0.00 O ATOM 634 CB LEU A 102 -5.447 -0.692 -6.761 1.00 0.00 C ATOM 635 CG LEU A 102 -6.896 -0.632 -6.277 1.00 0.00 C ATOM 636 CD1 LEU A 102 -7.026 0.221 -5.032 1.00 0.00 C ATOM 637 CD2 LEU A 102 -7.815 -0.129 -7.373 1.00 0.00 C ATOM 0 H LEU A 102 -3.328 -1.250 -7.922 1.00 0.00 H new ATOM 0 HA LEU A 102 -4.656 -2.403 -5.718 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.839 -0.040 -6.134 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.398 -0.296 -7.775 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.199 -1.647 -6.019 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -8.068 0.243 -4.713 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.412 -0.201 -4.236 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.691 1.235 -5.249 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -8.839 -0.096 -7.002 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.506 0.872 -7.676 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.761 -0.800 -8.230 1.00 0.00 H new ATOM 649 N ASP A 103 -6.553 -3.785 -6.525 1.00 0.00 N ATOM 650 CA ASP A 103 -7.564 -4.724 -6.981 1.00 0.00 C ATOM 651 C ASP A 103 -8.785 -3.940 -7.442 1.00 0.00 C ATOM 652 O ASP A 103 -9.350 -3.162 -6.674 1.00 0.00 O ATOM 653 CB ASP A 103 -7.955 -5.665 -5.847 1.00 0.00 C ATOM 654 CG ASP A 103 -8.722 -6.884 -6.330 1.00 0.00 C ATOM 655 OD1 ASP A 103 -8.532 -7.280 -7.499 1.00 0.00 O ATOM 656 OD2 ASP A 103 -9.508 -7.446 -5.537 1.00 0.00 O ATOM 0 H ASP A 103 -6.462 -3.724 -5.511 1.00 0.00 H new ATOM 0 HA ASP A 103 -7.168 -5.318 -7.805 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.055 -5.991 -5.325 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.563 -5.122 -5.124 1.00 0.00 H new ATOM 661 N LYS A 104 -9.187 -4.131 -8.690 1.00 0.00 N ATOM 662 CA LYS A 104 -10.337 -3.412 -9.227 1.00 0.00 C ATOM 663 C LYS A 104 -11.657 -4.114 -8.911 1.00 0.00 C ATOM 664 O LYS A 104 -12.727 -3.616 -9.262 1.00 0.00 O ATOM 665 CB LYS A 104 -10.186 -3.225 -10.736 1.00 0.00 C ATOM 666 CG LYS A 104 -9.064 -2.273 -11.118 1.00 0.00 C ATOM 667 CD LYS A 104 -9.589 -1.066 -11.880 1.00 0.00 C ATOM 668 CE LYS A 104 -10.482 -0.197 -11.009 1.00 0.00 C ATOM 669 NZ LYS A 104 -11.026 0.968 -11.760 1.00 0.00 N ATOM 0 H LYS A 104 -8.740 -4.771 -9.346 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.364 -2.436 -8.742 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -10.002 -4.195 -11.198 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -11.125 -2.850 -11.144 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -8.547 -1.939 -10.218 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -8.332 -2.800 -11.730 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -8.750 -0.474 -12.246 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -10.148 -1.402 -12.753 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -11.306 -0.796 -10.622 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -9.915 0.158 -10.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -11.630 1.535 -11.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -10.241 1.554 -12.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -11.588 0.629 -12.566 1.00 0.00 H new ATOM 683 N SER A 105 -11.588 -5.266 -8.248 1.00 0.00 N ATOM 684 CA SER A 105 -12.793 -6.007 -7.890 1.00 0.00 C ATOM 685 C SER A 105 -13.185 -5.734 -6.441 1.00 0.00 C ATOM 686 O SER A 105 -13.912 -6.515 -5.827 1.00 0.00 O ATOM 687 CB SER A 105 -12.571 -7.506 -8.094 1.00 0.00 C ATOM 688 OG SER A 105 -11.510 -7.981 -7.282 1.00 0.00 O ATOM 0 H SER A 105 -10.716 -5.704 -7.950 1.00 0.00 H new ATOM 0 HA SER A 105 -13.604 -5.674 -8.538 1.00 0.00 H new ATOM 0 HB2 SER A 105 -13.486 -8.048 -7.855 1.00 0.00 H new ATOM 0 HB3 SER A 105 -12.347 -7.704 -9.142 1.00 0.00 H new ATOM 0 HG SER A 105 -11.390 -8.942 -7.430 1.00 0.00 H new ATOM 694 N ALA A 106 -12.710 -4.613 -5.901 1.00 0.00 N ATOM 695 CA ALA A 106 -12.999 -4.248 -4.521 1.00 0.00 C ATOM 696 C ALA A 106 -13.952 -3.062 -4.438 1.00 0.00 C ATOM 697 O ALA A 106 -14.506 -2.617 -5.445 1.00 0.00 O ATOM 698 CB ALA A 106 -11.705 -3.933 -3.785 1.00 0.00 C ATOM 0 H ALA A 106 -12.124 -3.944 -6.400 1.00 0.00 H new ATOM 0 HA ALA A 106 -13.489 -5.099 -4.047 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.930 -3.661 -2.754 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -11.057 -4.810 -3.796 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -11.199 -3.102 -4.277 1.00 0.00 H new ATOM 704 N ARG A 107 -14.144 -2.566 -3.222 1.00 0.00 N ATOM 705 CA ARG A 107 -15.023 -1.424 -2.979 1.00 0.00 C ATOM 706 C ARG A 107 -14.366 -0.386 -2.065 1.00 0.00 C ATOM 707 O ARG A 107 -14.638 0.811 -2.180 1.00 0.00 O ATOM 708 CB ARG A 107 -16.342 -1.890 -2.359 1.00 0.00 C ATOM 709 CG ARG A 107 -17.230 -2.665 -3.319 1.00 0.00 C ATOM 710 CD ARG A 107 -16.849 -4.137 -3.383 1.00 0.00 C ATOM 711 NE ARG A 107 -17.558 -4.932 -2.375 1.00 0.00 N ATOM 712 CZ ARG A 107 -17.006 -5.435 -1.266 1.00 0.00 C ATOM 713 NH1 ARG A 107 -15.730 -5.212 -0.966 1.00 0.00 N ATOM 714 NH2 ARG A 107 -17.749 -6.161 -0.440 1.00 0.00 N ATOM 0 H ARG A 107 -13.700 -2.938 -2.382 1.00 0.00 H new ATOM 0 HA ARG A 107 -15.217 -0.953 -3.943 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -16.125 -2.516 -1.494 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -16.889 -1.020 -1.994 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -18.270 -2.573 -3.006 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -17.157 -2.228 -4.315 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -17.073 -4.527 -4.376 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -15.774 -4.240 -3.236 1.00 0.00 H new ATOM 0 HE ARG A 107 -18.549 -5.115 -2.532 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -15.151 -4.647 -1.587 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -15.330 -5.606 -0.114 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -18.732 -6.331 -0.654 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -17.337 -6.549 0.409 1.00 0.00 H new ATOM 728 N HIS A 108 -13.509 -0.844 -1.156 1.00 0.00 N ATOM 729 CA HIS A 108 -12.837 0.045 -0.219 1.00 0.00 C ATOM 730 C HIS A 108 -11.441 0.436 -0.703 1.00 0.00 C ATOM 731 O HIS A 108 -10.914 -0.136 -1.657 1.00 0.00 O ATOM 732 CB HIS A 108 -12.728 -0.632 1.149 1.00 0.00 C ATOM 733 CG HIS A 108 -11.753 -1.772 1.177 1.00 0.00 C ATOM 734 ND1 HIS A 108 -10.439 -1.622 1.562 1.00 0.00 N ATOM 735 CD2 HIS A 108 -11.901 -3.080 0.856 1.00 0.00 C ATOM 736 CE1 HIS A 108 -9.818 -2.785 1.473 1.00 0.00 C ATOM 737 NE2 HIS A 108 -10.684 -3.687 1.049 1.00 0.00 N ATOM 0 H HIS A 108 -13.265 -1.829 -1.050 1.00 0.00 H new ATOM 0 HA HIS A 108 -13.434 0.954 -0.143 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -12.429 0.110 1.890 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -13.711 -0.998 1.444 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -12.807 -3.557 0.512 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -8.779 -2.967 1.707 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -10.482 -4.674 0.891 1.00 0.00 H new ATOM 746 N LEU A 109 -10.857 1.419 -0.027 1.00 0.00 N ATOM 747 CA LEU A 109 -9.516 1.891 -0.343 1.00 0.00 C ATOM 748 C LEU A 109 -8.713 2.056 0.942 1.00 0.00 C ATOM 749 O LEU A 109 -8.458 3.171 1.395 1.00 0.00 O ATOM 750 CB LEU A 109 -9.568 3.216 -1.105 1.00 0.00 C ATOM 751 CG LEU A 109 -10.174 3.134 -2.508 1.00 0.00 C ATOM 752 CD1 LEU A 109 -10.162 4.501 -3.173 1.00 0.00 C ATOM 753 CD2 LEU A 109 -9.420 2.121 -3.356 1.00 0.00 C ATOM 0 H LEU A 109 -11.298 1.908 0.752 1.00 0.00 H new ATOM 0 HA LEU A 109 -9.030 1.153 -0.981 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -10.144 3.932 -0.519 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -8.555 3.611 -1.186 1.00 0.00 H new ATOM 0 HG LEU A 109 -11.209 2.804 -2.418 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -10.596 4.425 -4.170 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -10.746 5.201 -2.576 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -9.135 4.859 -3.251 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.865 2.076 -4.350 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -8.376 2.421 -3.439 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -9.479 1.139 -2.887 1.00 0.00 H new ATOM 765 N TYR A 110 -8.329 0.928 1.524 1.00 0.00 N ATOM 766 CA TYR A 110 -7.567 0.917 2.765 1.00 0.00 C ATOM 767 C TYR A 110 -6.544 -0.207 2.742 1.00 0.00 C ATOM 768 O TYR A 110 -6.901 -1.383 2.675 1.00 0.00 O ATOM 769 CB TYR A 110 -8.495 0.740 3.970 1.00 0.00 C ATOM 770 CG TYR A 110 -9.405 1.919 4.229 1.00 0.00 C ATOM 771 CD1 TYR A 110 -10.603 2.060 3.540 1.00 0.00 C ATOM 772 CD2 TYR A 110 -9.068 2.888 5.166 1.00 0.00 C ATOM 773 CE1 TYR A 110 -11.440 3.135 3.778 1.00 0.00 C ATOM 774 CE2 TYR A 110 -9.900 3.965 5.410 1.00 0.00 C ATOM 775 CZ TYR A 110 -11.084 4.083 4.712 1.00 0.00 C ATOM 776 OH TYR A 110 -11.915 5.153 4.952 1.00 0.00 O ATOM 0 H TYR A 110 -8.535 0.001 1.152 1.00 0.00 H new ATOM 0 HA TYR A 110 -7.052 1.873 2.856 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -9.106 -0.150 3.816 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -7.889 0.561 4.858 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -10.885 1.319 2.807 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -8.141 2.798 5.713 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -12.368 3.231 3.234 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -9.625 4.709 6.143 1.00 0.00 H new ATOM 0 HH TYR A 110 -11.518 5.728 5.639 1.00 0.00 H new ATOM 786 N ILE A 111 -5.273 0.159 2.790 1.00 0.00 N ATOM 787 CA ILE A 111 -4.203 -0.822 2.776 1.00 0.00 C ATOM 788 C ILE A 111 -3.787 -1.190 4.192 1.00 0.00 C ATOM 789 O ILE A 111 -4.258 -0.599 5.163 1.00 0.00 O ATOM 790 CB ILE A 111 -2.973 -0.301 2.013 1.00 0.00 C ATOM 791 CG1 ILE A 111 -2.420 0.953 2.692 1.00 0.00 C ATOM 792 CG2 ILE A 111 -3.334 -0.012 0.564 1.00 0.00 C ATOM 793 CD1 ILE A 111 -1.208 1.532 1.997 1.00 0.00 C ATOM 0 H ILE A 111 -4.959 1.128 2.839 1.00 0.00 H new ATOM 0 HA ILE A 111 -4.587 -1.706 2.267 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.200 -1.069 2.028 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -3.203 1.710 2.731 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -2.158 0.713 3.722 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -2.454 0.356 0.036 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -3.687 -0.927 0.088 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.120 0.742 0.528 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.870 2.419 2.533 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.409 0.791 1.981 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -1.470 1.804 0.975 1.00 0.00 H new ATOM 805 N CYS A 112 -2.907 -2.172 4.302 1.00 0.00 N ATOM 806 CA CYS A 112 -2.423 -2.617 5.598 1.00 0.00 C ATOM 807 C CYS A 112 -1.168 -1.846 5.995 1.00 0.00 C ATOM 808 O CYS A 112 -0.540 -1.196 5.159 1.00 0.00 O ATOM 809 CB CYS A 112 -2.133 -4.116 5.563 1.00 0.00 C ATOM 810 SG CYS A 112 -1.081 -4.633 4.186 1.00 0.00 S ATOM 0 H CYS A 112 -2.513 -2.677 3.508 1.00 0.00 H new ATOM 0 HA CYS A 112 -3.196 -2.424 6.342 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -1.655 -4.405 6.499 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -3.078 -4.657 5.507 1.00 0.00 H new ATOM 815 N ASP A 113 -0.813 -1.911 7.274 1.00 0.00 N ATOM 816 CA ASP A 113 0.372 -1.218 7.767 1.00 0.00 C ATOM 817 C ASP A 113 1.623 -1.708 7.049 1.00 0.00 C ATOM 818 O ASP A 113 2.551 -0.940 6.799 1.00 0.00 O ATOM 819 CB ASP A 113 0.526 -1.428 9.276 1.00 0.00 C ATOM 820 CG ASP A 113 -0.438 -0.582 10.084 1.00 0.00 C ATOM 821 OD1 ASP A 113 -0.263 0.655 10.110 1.00 0.00 O ATOM 822 OD2 ASP A 113 -1.364 -1.154 10.696 1.00 0.00 O ATOM 0 H ASP A 113 -1.326 -2.433 7.985 1.00 0.00 H new ATOM 0 HA ASP A 113 0.247 -0.154 7.566 1.00 0.00 H new ATOM 0 HB2 ASP A 113 0.365 -2.480 9.511 1.00 0.00 H new ATOM 0 HB3 ASP A 113 1.548 -1.189 9.570 1.00 0.00 H new ATOM 827 N TYR A 114 1.632 -2.993 6.711 1.00 0.00 N ATOM 828 CA TYR A 114 2.767 -3.603 6.028 1.00 0.00 C ATOM 829 C TYR A 114 3.112 -2.864 4.738 1.00 0.00 C ATOM 830 O TYR A 114 4.198 -2.296 4.610 1.00 0.00 O ATOM 831 CB TYR A 114 2.451 -5.071 5.721 1.00 0.00 C ATOM 832 CG TYR A 114 3.473 -5.754 4.839 1.00 0.00 C ATOM 833 CD1 TYR A 114 4.672 -6.219 5.365 1.00 0.00 C ATOM 834 CD2 TYR A 114 3.235 -5.940 3.483 1.00 0.00 C ATOM 835 CE1 TYR A 114 5.604 -6.851 4.563 1.00 0.00 C ATOM 836 CE2 TYR A 114 4.162 -6.568 2.676 1.00 0.00 C ATOM 837 CZ TYR A 114 5.345 -7.023 3.220 1.00 0.00 C ATOM 838 OH TYR A 114 6.270 -7.652 2.420 1.00 0.00 O ATOM 0 H TYR A 114 0.862 -3.635 6.900 1.00 0.00 H new ATOM 0 HA TYR A 114 3.633 -3.540 6.687 1.00 0.00 H new ATOM 0 HB2 TYR A 114 2.374 -5.619 6.660 1.00 0.00 H new ATOM 0 HB3 TYR A 114 1.475 -5.128 5.238 1.00 0.00 H new ATOM 0 HD1 TYR A 114 4.879 -6.085 6.416 1.00 0.00 H new ATOM 0 HD2 TYR A 114 2.309 -5.587 3.053 1.00 0.00 H new ATOM 0 HE1 TYR A 114 6.531 -7.208 4.987 1.00 0.00 H new ATOM 0 HE2 TYR A 114 3.962 -6.703 1.623 1.00 0.00 H new ATOM 0 HH TYR A 114 5.933 -7.693 1.501 1.00 0.00 H new ATOM 848 N HIS A 115 2.180 -2.856 3.791 1.00 0.00 N ATOM 849 CA HIS A 115 2.407 -2.194 2.512 1.00 0.00 C ATOM 850 C HIS A 115 2.646 -0.699 2.694 1.00 0.00 C ATOM 851 O HIS A 115 3.403 -0.091 1.938 1.00 0.00 O ATOM 852 CB HIS A 115 1.230 -2.432 1.563 1.00 0.00 C ATOM 853 CG HIS A 115 1.343 -3.708 0.784 1.00 0.00 C ATOM 854 ND1 HIS A 115 0.386 -4.689 0.868 1.00 0.00 N ATOM 855 CD2 HIS A 115 2.312 -4.107 -0.077 1.00 0.00 C ATOM 856 CE1 HIS A 115 0.788 -5.657 0.062 1.00 0.00 C ATOM 857 NE2 HIS A 115 1.951 -5.351 -0.531 1.00 0.00 N ATOM 0 H HIS A 115 1.265 -3.298 3.884 1.00 0.00 H new ATOM 0 HA HIS A 115 3.305 -2.628 2.072 1.00 0.00 H new ATOM 0 HB2 HIS A 115 0.305 -2.448 2.140 1.00 0.00 H new ATOM 0 HB3 HIS A 115 1.158 -1.596 0.868 1.00 0.00 H new ATOM 0 HD2 HIS A 115 3.197 -3.553 -0.352 1.00 0.00 H new ATOM 0 HE1 HIS A 115 0.248 -6.578 -0.099 1.00 0.00 H new ATOM 0 HE2 HIS A 115 2.468 -5.931 -1.192 1.00 0.00 H new ATOM 865 N LYS A 116 2.005 -0.107 3.696 1.00 0.00 N ATOM 866 CA LYS A 116 2.174 1.317 3.954 1.00 0.00 C ATOM 867 C LYS A 116 3.628 1.630 4.280 1.00 0.00 C ATOM 868 O LYS A 116 4.251 2.472 3.639 1.00 0.00 O ATOM 869 CB LYS A 116 1.287 1.773 5.116 1.00 0.00 C ATOM 870 CG LYS A 116 1.400 3.262 5.407 1.00 0.00 C ATOM 871 CD LYS A 116 0.941 3.602 6.816 1.00 0.00 C ATOM 872 CE LYS A 116 1.847 2.977 7.865 1.00 0.00 C ATOM 873 NZ LYS A 116 3.287 3.132 7.520 1.00 0.00 N ATOM 0 H LYS A 116 1.371 -0.585 4.336 1.00 0.00 H new ATOM 0 HA LYS A 116 1.880 1.854 3.052 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.249 1.531 4.889 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.556 1.213 6.012 1.00 0.00 H new ATOM 0 HG2 LYS A 116 2.434 3.580 5.276 1.00 0.00 H new ATOM 0 HG3 LYS A 116 0.802 3.819 4.686 1.00 0.00 H new ATOM 0 HD2 LYS A 116 0.928 4.684 6.944 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -0.081 3.251 6.961 1.00 0.00 H new ATOM 0 HE2 LYS A 116 1.654 3.439 8.833 1.00 0.00 H new ATOM 0 HE3 LYS A 116 1.610 1.918 7.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 3.844 3.233 8.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 3.611 2.293 6.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 3.413 3.978 6.929 1.00 0.00 H new ATOM 887 N ASN A 117 4.166 0.924 5.267 1.00 0.00 N ATOM 888 CA ASN A 117 5.546 1.124 5.692 1.00 0.00 C ATOM 889 C ASN A 117 6.522 0.690 4.604 1.00 0.00 C ATOM 890 O ASN A 117 7.640 1.191 4.523 1.00 0.00 O ATOM 891 CB ASN A 117 5.811 0.344 6.983 1.00 0.00 C ATOM 892 CG ASN A 117 7.154 0.678 7.604 1.00 0.00 C ATOM 893 OD1 ASN A 117 7.341 1.762 8.155 1.00 0.00 O ATOM 894 ND2 ASN A 117 8.091 -0.260 7.531 1.00 0.00 N ATOM 0 H ASN A 117 3.665 0.205 5.790 1.00 0.00 H new ATOM 0 HA ASN A 117 5.698 2.187 5.877 1.00 0.00 H new ATOM 0 HB2 ASN A 117 5.020 0.559 7.701 1.00 0.00 H new ATOM 0 HB3 ASN A 117 5.769 -0.725 6.772 1.00 0.00 H new ATOM 0 HD21 ASN A 117 9.010 -0.096 7.942 1.00 0.00 H new ATOM 0 HD22 ASN A 117 7.892 -1.145 7.064 1.00 0.00 H new ATOM 901 N LEU A 118 6.086 -0.235 3.762 1.00 0.00 N ATOM 902 CA LEU A 118 6.925 -0.743 2.684 1.00 0.00 C ATOM 903 C LEU A 118 7.068 0.280 1.559 1.00 0.00 C ATOM 904 O LEU A 118 8.154 0.474 1.018 1.00 0.00 O ATOM 905 CB LEU A 118 6.324 -2.040 2.132 1.00 0.00 C ATOM 906 CG LEU A 118 7.277 -2.919 1.316 1.00 0.00 C ATOM 907 CD1 LEU A 118 6.582 -4.205 0.896 1.00 0.00 C ATOM 908 CD2 LEU A 118 7.792 -2.170 0.096 1.00 0.00 C ATOM 0 H LEU A 118 5.155 -0.650 3.804 1.00 0.00 H new ATOM 0 HA LEU A 118 7.918 -0.938 3.090 1.00 0.00 H new ATOM 0 HB2 LEU A 118 5.944 -2.627 2.968 1.00 0.00 H new ATOM 0 HB3 LEU A 118 5.469 -1.785 1.506 1.00 0.00 H new ATOM 0 HG LEU A 118 8.130 -3.173 1.945 1.00 0.00 H new ATOM 0 HD11 LEU A 118 7.272 -4.819 0.317 1.00 0.00 H new ATOM 0 HD12 LEU A 118 6.265 -4.754 1.783 1.00 0.00 H new ATOM 0 HD13 LEU A 118 5.711 -3.965 0.287 1.00 0.00 H new ATOM 0 HD21 LEU A 118 8.467 -2.814 -0.468 1.00 0.00 H new ATOM 0 HD22 LEU A 118 6.952 -1.883 -0.536 1.00 0.00 H new ATOM 0 HD23 LEU A 118 8.327 -1.276 0.417 1.00 0.00 H new ATOM 920 N ILE A 119 5.971 0.948 1.227 1.00 0.00 N ATOM 921 CA ILE A 119 5.967 1.921 0.140 1.00 0.00 C ATOM 922 C ILE A 119 6.373 3.324 0.591 1.00 0.00 C ATOM 923 O ILE A 119 7.041 4.050 -0.146 1.00 0.00 O ATOM 924 CB ILE A 119 4.574 1.980 -0.514 1.00 0.00 C ATOM 925 CG1 ILE A 119 4.130 0.570 -0.904 1.00 0.00 C ATOM 926 CG2 ILE A 119 4.593 2.897 -1.728 1.00 0.00 C ATOM 927 CD1 ILE A 119 2.662 0.467 -1.256 1.00 0.00 C ATOM 0 H ILE A 119 5.072 0.835 1.694 1.00 0.00 H new ATOM 0 HA ILE A 119 6.712 1.583 -0.580 1.00 0.00 H new ATOM 0 HB ILE A 119 3.860 2.388 0.202 1.00 0.00 H new ATOM 0 HG12 ILE A 119 4.722 0.235 -1.755 1.00 0.00 H new ATOM 0 HG13 ILE A 119 4.345 -0.110 -0.079 1.00 0.00 H new ATOM 0 HG21 ILE A 119 3.600 2.926 -2.177 1.00 0.00 H new ATOM 0 HG22 ILE A 119 4.882 3.902 -1.420 1.00 0.00 H new ATOM 0 HG23 ILE A 119 5.310 2.520 -2.457 1.00 0.00 H new ATOM 0 HD11 ILE A 119 2.423 -0.563 -1.522 1.00 0.00 H new ATOM 0 HD12 ILE A 119 2.060 0.770 -0.399 1.00 0.00 H new ATOM 0 HD13 ILE A 119 2.444 1.120 -2.101 1.00 0.00 H new ATOM 939 N GLN A 120 5.960 3.707 1.792 1.00 0.00 N ATOM 940 CA GLN A 120 6.265 5.035 2.326 1.00 0.00 C ATOM 941 C GLN A 120 7.715 5.195 2.796 1.00 0.00 C ATOM 942 O GLN A 120 8.326 6.240 2.575 1.00 0.00 O ATOM 943 CB GLN A 120 5.335 5.354 3.499 1.00 0.00 C ATOM 944 CG GLN A 120 4.064 6.082 3.112 1.00 0.00 C ATOM 945 CD GLN A 120 4.281 7.569 2.909 1.00 0.00 C ATOM 946 OE1 GLN A 120 4.469 8.037 1.786 1.00 0.00 O ATOM 947 NE2 GLN A 120 4.270 8.320 4.005 1.00 0.00 N ATOM 0 H GLN A 120 5.412 3.118 2.419 1.00 0.00 H new ATOM 0 HA GLN A 120 6.113 5.729 1.499 1.00 0.00 H new ATOM 0 HB2 GLN A 120 5.068 4.423 3.998 1.00 0.00 H new ATOM 0 HB3 GLN A 120 5.879 5.959 4.224 1.00 0.00 H new ATOM 0 HG2 GLN A 120 3.667 5.648 2.194 1.00 0.00 H new ATOM 0 HG3 GLN A 120 3.313 5.931 3.887 1.00 0.00 H new ATOM 0 HE21 GLN A 120 4.110 7.890 4.916 1.00 0.00 H new ATOM 0 HE22 GLN A 120 4.421 9.326 3.935 1.00 0.00 H new ATOM 956 N SER A 121 8.267 4.166 3.437 1.00 0.00 N ATOM 957 CA SER A 121 9.604 4.258 4.007 1.00 0.00 C ATOM 958 C SER A 121 10.738 3.750 3.110 1.00 0.00 C ATOM 959 O SER A 121 11.686 3.140 3.606 1.00 0.00 O ATOM 960 CB SER A 121 9.622 3.505 5.327 1.00 0.00 C ATOM 961 OG SER A 121 8.906 4.211 6.327 1.00 0.00 O ATOM 0 H SER A 121 7.809 3.265 3.573 1.00 0.00 H new ATOM 0 HA SER A 121 9.803 5.322 4.136 1.00 0.00 H new ATOM 0 HB2 SER A 121 9.184 2.516 5.191 1.00 0.00 H new ATOM 0 HB3 SER A 121 10.652 3.356 5.650 1.00 0.00 H new ATOM 0 HG SER A 121 8.931 3.705 7.166 1.00 0.00 H new ATOM 967 N VAL A 122 10.666 4.004 1.812 1.00 0.00 N ATOM 968 CA VAL A 122 11.748 3.600 0.916 1.00 0.00 C ATOM 969 C VAL A 122 12.499 4.841 0.439 1.00 0.00 C ATOM 970 O VAL A 122 13.691 4.784 0.137 1.00 0.00 O ATOM 971 CB VAL A 122 11.245 2.753 -0.279 1.00 0.00 C ATOM 972 CG1 VAL A 122 12.274 2.686 -1.406 1.00 0.00 C ATOM 973 CG2 VAL A 122 10.907 1.350 0.201 1.00 0.00 C ATOM 0 H VAL A 122 9.886 4.479 1.358 1.00 0.00 H new ATOM 0 HA VAL A 122 12.428 2.957 1.475 1.00 0.00 H new ATOM 0 HB VAL A 122 10.353 3.235 -0.680 1.00 0.00 H new ATOM 0 HG11 VAL A 122 11.880 2.082 -2.223 1.00 0.00 H new ATOM 0 HG12 VAL A 122 12.484 3.693 -1.767 1.00 0.00 H new ATOM 0 HG13 VAL A 122 13.194 2.235 -1.033 1.00 0.00 H new ATOM 0 HG21 VAL A 122 10.553 0.753 -0.640 1.00 0.00 H new ATOM 0 HG22 VAL A 122 11.797 0.886 0.626 1.00 0.00 H new ATOM 0 HG23 VAL A 122 10.128 1.403 0.962 1.00 0.00 H new ATOM 983 N ARG A 123 11.789 5.962 0.381 1.00 0.00 N ATOM 984 CA ARG A 123 12.387 7.225 -0.020 1.00 0.00 C ATOM 985 C ARG A 123 12.680 8.054 1.222 1.00 0.00 C ATOM 986 O ARG A 123 12.246 9.200 1.337 1.00 0.00 O ATOM 987 CB ARG A 123 11.454 8.000 -0.946 1.00 0.00 C ATOM 988 CG ARG A 123 10.655 7.117 -1.893 1.00 0.00 C ATOM 989 CD ARG A 123 9.836 7.945 -2.871 1.00 0.00 C ATOM 990 NE ARG A 123 9.073 8.996 -2.202 1.00 0.00 N ATOM 991 CZ ARG A 123 8.200 9.782 -2.818 1.00 0.00 C ATOM 992 NH1 ARG A 123 7.939 9.607 -4.105 1.00 0.00 N ATOM 993 NH2 ARG A 123 7.577 10.739 -2.143 1.00 0.00 N ATOM 0 H ARG A 123 10.796 6.019 0.608 1.00 0.00 H new ATOM 0 HA ARG A 123 13.311 7.020 -0.560 1.00 0.00 H new ATOM 0 HB2 ARG A 123 10.763 8.587 -0.341 1.00 0.00 H new ATOM 0 HB3 ARG A 123 12.043 8.706 -1.532 1.00 0.00 H new ATOM 0 HG2 ARG A 123 11.334 6.466 -2.445 1.00 0.00 H new ATOM 0 HG3 ARG A 123 9.992 6.471 -1.317 1.00 0.00 H new ATOM 0 HD2 ARG A 123 10.501 8.395 -3.609 1.00 0.00 H new ATOM 0 HD3 ARG A 123 9.153 7.292 -3.414 1.00 0.00 H new ATOM 0 HE ARG A 123 9.220 9.133 -1.202 1.00 0.00 H new ATOM 0 HH11 ARG A 123 8.410 8.866 -4.625 1.00 0.00 H new ATOM 0 HH12 ARG A 123 7.267 10.213 -4.576 1.00 0.00 H new ATOM 0 HH21 ARG A 123 7.769 10.871 -1.150 1.00 0.00 H new ATOM 0 HH22 ARG A 123 6.906 11.343 -2.617 1.00 0.00 H new ATOM 1007 N ASN A 124 13.423 7.461 2.150 1.00 0.00 N ATOM 1008 CA ASN A 124 13.773 8.121 3.403 1.00 0.00 C ATOM 1009 C ASN A 124 15.030 8.982 3.261 1.00 0.00 C ATOM 1010 O ASN A 124 15.860 9.028 4.168 1.00 0.00 O ATOM 1011 CB ASN A 124 13.983 7.072 4.496 1.00 0.00 C ATOM 1012 CG ASN A 124 14.891 5.944 4.043 1.00 0.00 C ATOM 1013 OD1 ASN A 124 15.784 6.142 3.219 1.00 0.00 O ATOM 1014 ND2 ASN A 124 14.663 4.749 4.577 1.00 0.00 N ATOM 0 H ASN A 124 13.797 6.517 2.057 1.00 0.00 H new ATOM 0 HA ASN A 124 12.949 8.781 3.675 1.00 0.00 H new ATOM 0 HB2 ASN A 124 14.412 7.549 5.377 1.00 0.00 H new ATOM 0 HB3 ASN A 124 13.018 6.662 4.793 1.00 0.00 H new ATOM 0 HD21 ASN A 124 15.239 3.952 4.307 1.00 0.00 H new ATOM 0 HD22 ASN A 124 13.912 4.629 5.257 1.00 0.00 H new ATOM 1021 N ARG A 125 15.161 9.672 2.131 1.00 0.00 N ATOM 1022 CA ARG A 125 16.314 10.530 1.888 1.00 0.00 C ATOM 1023 C ARG A 125 16.212 11.805 2.711 1.00 0.00 C ATOM 1024 O ARG A 125 17.164 12.212 3.376 1.00 0.00 O ATOM 1025 CB ARG A 125 16.403 10.885 0.403 1.00 0.00 C ATOM 1026 CG ARG A 125 17.408 10.047 -0.366 1.00 0.00 C ATOM 1027 CD ARG A 125 18.531 10.903 -0.927 1.00 0.00 C ATOM 1028 NE ARG A 125 19.788 10.695 -0.214 1.00 0.00 N ATOM 1029 CZ ARG A 125 20.986 10.924 -0.747 1.00 0.00 C ATOM 1030 NH1 ARG A 125 21.089 11.398 -1.982 1.00 0.00 N ATOM 1031 NH2 ARG A 125 22.083 10.683 -0.043 1.00 0.00 N ATOM 0 H ARG A 125 14.482 9.653 1.370 1.00 0.00 H new ATOM 0 HA ARG A 125 17.213 9.989 2.184 1.00 0.00 H new ATOM 0 HB2 ARG A 125 15.419 10.763 -0.050 1.00 0.00 H new ATOM 0 HB3 ARG A 125 16.670 11.937 0.306 1.00 0.00 H new ATOM 0 HG2 ARG A 125 17.824 9.283 0.290 1.00 0.00 H new ATOM 0 HG3 ARG A 125 16.903 9.527 -1.180 1.00 0.00 H new ATOM 0 HD2 ARG A 125 18.671 10.671 -1.983 1.00 0.00 H new ATOM 0 HD3 ARG A 125 18.250 11.954 -0.866 1.00 0.00 H new ATOM 0 HE ARG A 125 19.746 10.355 0.747 1.00 0.00 H new ATOM 0 HH11 ARG A 125 20.248 11.588 -2.527 1.00 0.00 H new ATOM 0 HH12 ARG A 125 22.009 11.572 -2.386 1.00 0.00 H new ATOM 0 HH21 ARG A 125 22.010 10.322 0.908 1.00 0.00 H new ATOM 0 HH22 ARG A 125 23.001 10.859 -0.452 1.00 0.00 H new ATOM 1045 N ARG A 126 15.048 12.429 2.648 1.00 0.00 N ATOM 1046 CA ARG A 126 14.786 13.657 3.381 1.00 0.00 C ATOM 1047 C ARG A 126 13.337 13.690 3.855 1.00 0.00 C ATOM 1048 O ARG A 126 13.049 14.100 4.979 1.00 0.00 O ATOM 1049 CB ARG A 126 15.090 14.877 2.504 1.00 0.00 C ATOM 1050 CG ARG A 126 16.547 15.314 2.552 1.00 0.00 C ATOM 1051 CD ARG A 126 16.926 16.153 1.341 1.00 0.00 C ATOM 1052 NE ARG A 126 17.207 15.325 0.170 1.00 0.00 N ATOM 1053 CZ ARG A 126 17.576 15.815 -1.010 1.00 0.00 C ATOM 1054 NH1 ARG A 126 17.682 17.125 -1.185 1.00 0.00 N ATOM 1055 NH2 ARG A 126 17.834 14.993 -2.019 1.00 0.00 N ATOM 0 H ARG A 126 14.260 12.101 2.090 1.00 0.00 H new ATOM 0 HA ARG A 126 15.438 13.688 4.254 1.00 0.00 H new ATOM 0 HB2 ARG A 126 14.822 14.648 1.473 1.00 0.00 H new ATOM 0 HB3 ARG A 126 14.460 15.708 2.821 1.00 0.00 H new ATOM 0 HG2 ARG A 126 16.724 15.888 3.462 1.00 0.00 H new ATOM 0 HG3 ARG A 126 17.189 14.434 2.600 1.00 0.00 H new ATOM 0 HD2 ARG A 126 16.116 16.844 1.111 1.00 0.00 H new ATOM 0 HD3 ARG A 126 17.802 16.757 1.577 1.00 0.00 H new ATOM 0 HE ARG A 126 17.115 14.313 0.263 1.00 0.00 H new ATOM 0 HH11 ARG A 126 17.480 17.761 -0.413 1.00 0.00 H new ATOM 0 HH12 ARG A 126 17.965 17.497 -2.091 1.00 0.00 H new ATOM 0 HH21 ARG A 126 17.749 13.985 -1.890 1.00 0.00 H new ATOM 0 HH22 ARG A 126 18.117 15.369 -2.924 1.00 0.00 H new ATOM 1069 N LYS A 127 12.426 13.285 2.967 1.00 0.00 N ATOM 1070 CA LYS A 127 10.995 13.241 3.267 1.00 0.00 C ATOM 1071 C LYS A 127 10.364 14.632 3.300 1.00 0.00 C ATOM 1072 O LYS A 127 9.143 14.760 3.391 1.00 0.00 O ATOM 1073 CB LYS A 127 10.734 12.507 4.584 1.00 0.00 C ATOM 1074 CG LYS A 127 10.242 11.082 4.383 1.00 0.00 C ATOM 1075 CD LYS A 127 9.367 10.618 5.536 1.00 0.00 C ATOM 1076 CE LYS A 127 8.186 11.553 5.749 1.00 0.00 C ATOM 1077 NZ LYS A 127 7.649 12.074 4.461 1.00 0.00 N ATOM 0 H LYS A 127 12.660 12.979 2.022 1.00 0.00 H new ATOM 0 HA LYS A 127 10.522 12.689 2.455 1.00 0.00 H new ATOM 0 HB2 LYS A 127 11.652 12.489 5.172 1.00 0.00 H new ATOM 0 HB3 LYS A 127 9.996 13.062 5.163 1.00 0.00 H new ATOM 0 HG2 LYS A 127 9.679 11.020 3.452 1.00 0.00 H new ATOM 0 HG3 LYS A 127 11.097 10.413 4.284 1.00 0.00 H new ATOM 0 HD2 LYS A 127 9.003 9.610 5.336 1.00 0.00 H new ATOM 0 HD3 LYS A 127 9.962 10.567 6.448 1.00 0.00 H new ATOM 0 HE2 LYS A 127 7.397 11.025 6.284 1.00 0.00 H new ATOM 0 HE3 LYS A 127 8.493 12.388 6.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 6.650 12.337 4.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 8.194 12.911 4.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 7.727 11.339 3.729 1.00 0.00 H new ATOM 1091 N ARG A 128 11.187 15.673 3.217 1.00 0.00 N ATOM 1092 CA ARG A 128 10.688 17.029 3.217 1.00 0.00 C ATOM 1093 C ARG A 128 10.694 17.548 1.791 1.00 0.00 C ATOM 1094 O ARG A 128 11.318 16.952 0.915 1.00 0.00 O ATOM 1095 CB ARG A 128 11.547 17.920 4.120 1.00 0.00 C ATOM 1096 CG ARG A 128 12.959 18.147 3.602 1.00 0.00 C ATOM 1097 CD ARG A 128 13.128 19.554 3.053 1.00 0.00 C ATOM 1098 NE ARG A 128 14.490 20.052 3.229 1.00 0.00 N ATOM 1099 CZ ARG A 128 14.804 21.344 3.305 1.00 0.00 C ATOM 1100 NH1 ARG A 128 13.860 22.270 3.191 1.00 0.00 N ATOM 1101 NH2 ARG A 128 16.064 21.711 3.492 1.00 0.00 N ATOM 0 H ARG A 128 12.202 15.595 3.149 1.00 0.00 H new ATOM 0 HA ARG A 128 9.671 17.046 3.609 1.00 0.00 H new ATOM 0 HB2 ARG A 128 11.054 18.885 4.236 1.00 0.00 H new ATOM 0 HB3 ARG A 128 11.603 17.469 5.111 1.00 0.00 H new ATOM 0 HG2 ARG A 128 13.675 17.980 4.407 1.00 0.00 H new ATOM 0 HG3 ARG A 128 13.183 17.421 2.821 1.00 0.00 H new ATOM 0 HD2 ARG A 128 12.873 19.562 1.993 1.00 0.00 H new ATOM 0 HD3 ARG A 128 12.430 20.225 3.554 1.00 0.00 H new ATOM 0 HE ARG A 128 15.245 19.370 3.298 1.00 0.00 H new ATOM 0 HH11 ARG A 128 12.889 21.993 3.045 1.00 0.00 H new ATOM 0 HH12 ARG A 128 14.105 23.258 3.250 1.00 0.00 H new ATOM 0 HH21 ARG A 128 16.794 21.004 3.578 1.00 0.00 H new ATOM 0 HH22 ARG A 128 16.304 22.701 3.550 1.00 0.00 H new ATOM 1115 N LYS A 129 9.987 18.634 1.551 1.00 0.00 N ATOM 1116 CA LYS A 129 9.934 19.213 0.213 1.00 0.00 C ATOM 1117 C LYS A 129 10.337 20.686 0.221 1.00 0.00 C ATOM 1118 O LYS A 129 10.778 21.221 -0.795 1.00 0.00 O ATOM 1119 CB LYS A 129 8.540 19.055 -0.419 1.00 0.00 C ATOM 1120 CG LYS A 129 7.431 18.621 0.537 1.00 0.00 C ATOM 1121 CD LYS A 129 7.126 17.137 0.400 1.00 0.00 C ATOM 1122 CE LYS A 129 5.914 16.739 1.230 1.00 0.00 C ATOM 1123 NZ LYS A 129 4.734 17.599 0.939 1.00 0.00 N ATOM 0 H LYS A 129 9.444 19.134 2.255 1.00 0.00 H new ATOM 0 HA LYS A 129 10.652 18.662 -0.394 1.00 0.00 H new ATOM 0 HB2 LYS A 129 8.255 20.005 -0.871 1.00 0.00 H new ATOM 0 HB3 LYS A 129 8.607 18.325 -1.226 1.00 0.00 H new ATOM 0 HG2 LYS A 129 7.727 18.839 1.563 1.00 0.00 H new ATOM 0 HG3 LYS A 129 6.529 19.199 0.336 1.00 0.00 H new ATOM 0 HD2 LYS A 129 6.946 16.896 -0.648 1.00 0.00 H new ATOM 0 HD3 LYS A 129 7.992 16.556 0.716 1.00 0.00 H new ATOM 0 HE2 LYS A 129 5.663 15.698 1.029 1.00 0.00 H new ATOM 0 HE3 LYS A 129 6.161 16.808 2.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 3.868 17.120 1.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 4.834 18.506 1.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 4.675 17.773 -0.085 1.00 0.00 H new ATOM 1137 N GLY A 130 10.186 21.334 1.371 1.00 0.00 N ATOM 1138 CA GLY A 130 10.533 22.734 1.490 1.00 0.00 C ATOM 1139 C GLY A 130 9.824 23.384 2.658 1.00 0.00 C ATOM 1140 O GLY A 130 10.409 23.570 3.723 1.00 0.00 O ATOM 0 H GLY A 130 9.827 20.910 2.226 1.00 0.00 H new ATOM 0 HA2 GLY A 130 11.611 22.833 1.617 1.00 0.00 H new ATOM 0 HA3 GLY A 130 10.271 23.254 0.569 1.00 0.00 H new ATOM 1144 N SER A 131 8.555 23.717 2.457 1.00 0.00 N ATOM 1145 CA SER A 131 7.754 24.337 3.503 1.00 0.00 C ATOM 1146 C SER A 131 6.667 23.379 3.980 1.00 0.00 C ATOM 1147 O SER A 131 5.525 23.489 3.486 1.00 0.00 O ATOM 1148 CB SER A 131 7.122 25.633 2.994 1.00 0.00 C ATOM 1149 OG SER A 131 8.108 26.522 2.500 1.00 0.00 O ATOM 1150 OXT SER A 131 6.968 22.522 4.837 1.00 0.00 O ATOM 0 H SER A 131 8.059 23.568 1.578 1.00 0.00 H new ATOM 0 HA SER A 131 8.409 24.571 4.342 1.00 0.00 H new ATOM 0 HB2 SER A 131 6.405 25.406 2.205 1.00 0.00 H new ATOM 0 HB3 SER A 131 6.568 26.112 3.801 1.00 0.00 H new ATOM 0 HG SER A 131 7.678 27.342 2.179 1.00 0.00 H new TER 1156 SER A 131 HETATM 1157 ZN ZN A 1 -1.099 -5.376 1.997 1.00 0.00 ZN