USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 589 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 115 HIS HD1 : A 115 HIS ND1 : A 1 ZNZN :(H bumps) USER MOD Set 1.1: A 121 SER OG : rot 180:sc= 0.0903 USER MOD Set 1.2: A 124 ASN : amide:sc= -5.34! K(o=-5.2!,f=-1.4) USER MOD Set 2.1: A 116 LYS NZ :NH3+ 160:sc= -0.225 (180deg=-0.727) USER MOD Set 2.2: A 120 GLN : amide:sc= -1.06 X(o=-1.3,f=-1.2) USER MOD Set 3.1: A 90 GLN : amide:sc= 0.436 K(o=1.1,f=0.09) USER MOD Set 3.2: A 94 SER OG : rot 131:sc= 0.618 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 65 GLN : amide:sc= -3.19! C(o=-3.2!,f=-4.3!) USER MOD Single : A 68 CYS SG : rot 170:sc= -0.919 USER MOD Single : A 82 ASN : amide:sc= -0.187 X(o=-0.19,f=0) 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+ -160:sc= -1.14 (180deg=-1.75!) USER MOD Single : A 91 LYS NZ :NH3+ 154:sc= -0.237 (180deg=-0.769) USER MOD Single : A 92 SER OG : rot -180:sc= 0.0693 USER MOD Single : A 95 GLN : amide:sc= -0.197 X(o=-0.2,f=-0.23) USER MOD Single : A 96 LYS NZ :NH3+ 147:sc= -0.205 (180deg=-0.421) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -162:sc= -0.121 (180deg=-0.615) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot -69:sc= 1.13 USER MOD Single : A 108 HIS : no HD1:sc= -1.25 K(o=-1.2,f=-3.9!) 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 117 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 127 LYS NZ :NH3+ 162:sc= -0.0215 (180deg=-0.228) USER MOD Single : A 129 LYS NZ :NH3+ 163:sc= -0.136 (180deg=-0.574) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 61 -15.513 -4.562 5.321 1.00 0.00 N ATOM 2 CA SER A 61 -16.226 -3.293 5.014 1.00 0.00 C ATOM 3 C SER A 61 -15.843 -2.164 5.976 1.00 0.00 C ATOM 4 O SER A 61 -15.636 -1.031 5.547 1.00 0.00 O ATOM 5 CB SER A 61 -17.735 -3.515 5.033 1.00 0.00 C ATOM 6 OG SER A 61 -18.251 -3.550 3.713 1.00 0.00 O ATOM 0 HA SER A 61 -15.919 -2.984 4.015 1.00 0.00 H new ATOM 0 HB2 SER A 61 -17.964 -4.450 5.544 1.00 0.00 H new ATOM 0 HB3 SER A 61 -18.218 -2.717 5.597 1.00 0.00 H new ATOM 0 HG SER A 61 -19.220 -3.695 3.744 1.00 0.00 H new ATOM 14 N ASN A 62 -15.771 -2.459 7.271 1.00 0.00 N ATOM 15 CA ASN A 62 -15.392 -1.441 8.264 1.00 0.00 C ATOM 16 C ASN A 62 -14.779 -2.060 9.530 1.00 0.00 C ATOM 17 O ASN A 62 -14.017 -1.401 10.237 1.00 0.00 O ATOM 18 CB ASN A 62 -16.580 -0.545 8.628 1.00 0.00 C ATOM 19 CG ASN A 62 -17.756 -1.315 9.188 1.00 0.00 C ATOM 20 OD1 ASN A 62 -17.740 -1.736 10.344 1.00 0.00 O ATOM 21 ND2 ASN A 62 -18.792 -1.484 8.376 1.00 0.00 N ATOM 0 H ASN A 62 -15.966 -3.381 7.661 1.00 0.00 H new ATOM 0 HA ASN A 62 -14.625 -0.824 7.796 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -16.257 0.196 9.359 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -16.901 0.001 7.741 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -19.621 -1.981 8.703 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -18.760 -1.117 7.425 1.00 0.00 H new ATOM 28 N ALA A 63 -15.136 -3.306 9.830 1.00 0.00 N ATOM 29 CA ALA A 63 -14.583 -4.015 10.976 1.00 0.00 C ATOM 30 C ALA A 63 -14.235 -5.442 10.564 1.00 0.00 C ATOM 31 O ALA A 63 -15.110 -6.300 10.468 1.00 0.00 O ATOM 32 CB ALA A 63 -15.563 -4.010 12.139 1.00 0.00 C ATOM 0 H ALA A 63 -15.811 -3.847 9.290 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.677 -3.508 11.308 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -15.128 -4.545 12.983 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -15.775 -2.982 12.432 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -16.489 -4.500 11.837 1.00 0.00 H new ATOM 38 N GLY A 64 -12.953 -5.682 10.312 1.00 0.00 N ATOM 39 CA GLY A 64 -12.514 -6.994 9.871 1.00 0.00 C ATOM 40 C GLY A 64 -12.283 -7.004 8.374 1.00 0.00 C ATOM 41 O GLY A 64 -12.810 -7.853 7.653 1.00 0.00 O ATOM 0 H GLY A 64 -12.209 -4.991 10.405 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.595 -7.268 10.388 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -13.263 -7.741 10.134 1.00 0.00 H new ATOM 45 N GLN A 65 -11.491 -6.042 7.915 1.00 0.00 N ATOM 46 CA GLN A 65 -11.196 -5.888 6.497 1.00 0.00 C ATOM 47 C GLN A 65 -9.870 -6.543 6.124 1.00 0.00 C ATOM 48 O GLN A 65 -9.113 -6.984 6.990 1.00 0.00 O ATOM 49 CB GLN A 65 -11.152 -4.401 6.149 1.00 0.00 C ATOM 50 CG GLN A 65 -12.244 -3.585 6.830 1.00 0.00 C ATOM 51 CD GLN A 65 -11.936 -2.100 6.890 1.00 0.00 C ATOM 52 OE1 GLN A 65 -12.803 -1.268 6.623 1.00 0.00 O ATOM 53 NE2 GLN A 65 -10.720 -1.754 7.291 1.00 0.00 N ATOM 0 H GLN A 65 -11.038 -5.351 8.512 1.00 0.00 H new ATOM 0 HA GLN A 65 -11.983 -6.384 5.930 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.179 -3.999 6.431 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -11.243 -4.286 5.069 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -13.184 -3.733 6.298 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -12.389 -3.960 7.843 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -10.029 -2.474 7.503 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -10.476 -0.768 7.388 1.00 0.00 H new ATOM 62 N LEU A 66 -9.596 -6.591 4.825 1.00 0.00 N ATOM 63 CA LEU A 66 -8.367 -7.186 4.321 1.00 0.00 C ATOM 64 C LEU A 66 -7.744 -6.305 3.239 1.00 0.00 C ATOM 65 O LEU A 66 -8.443 -5.782 2.372 1.00 0.00 O ATOM 66 CB LEU A 66 -8.650 -8.578 3.753 1.00 0.00 C ATOM 67 CG LEU A 66 -9.393 -9.528 4.694 1.00 0.00 C ATOM 68 CD1 LEU A 66 -9.775 -10.806 3.963 1.00 0.00 C ATOM 69 CD2 LEU A 66 -8.544 -9.846 5.915 1.00 0.00 C ATOM 0 H LEU A 66 -10.212 -6.223 4.100 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.664 -7.271 5.150 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.234 -8.468 2.839 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.702 -9.038 3.473 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.305 -9.035 5.031 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -10.303 -11.472 4.646 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -10.422 -10.563 3.120 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.874 -11.300 3.599 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.090 -10.523 6.572 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.614 -10.319 5.599 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.318 -8.924 6.451 1.00 0.00 H new ATOM 81 N CYS A 67 -6.424 -6.151 3.299 1.00 0.00 N ATOM 82 CA CYS A 67 -5.682 -5.342 2.328 1.00 0.00 C ATOM 83 C CYS A 67 -6.212 -5.553 0.904 1.00 0.00 C ATOM 84 O CYS A 67 -6.657 -6.647 0.559 1.00 0.00 O ATOM 85 CB CYS A 67 -4.198 -5.704 2.411 1.00 0.00 C ATOM 86 SG CYS A 67 -3.147 -4.870 1.206 1.00 0.00 S ATOM 0 H CYS A 67 -5.839 -6.579 4.016 1.00 0.00 H new ATOM 0 HA CYS A 67 -5.817 -4.287 2.569 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -3.837 -5.468 3.412 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.093 -6.781 2.280 1.00 0.00 H new ATOM 91 N CYS A 68 -6.162 -4.502 0.081 1.00 0.00 N ATOM 92 CA CYS A 68 -6.659 -4.583 -1.296 1.00 0.00 C ATOM 93 C CYS A 68 -5.531 -4.521 -2.325 1.00 0.00 C ATOM 94 O CYS A 68 -5.722 -4.038 -3.441 1.00 0.00 O ATOM 95 CB CYS A 68 -7.672 -3.466 -1.560 1.00 0.00 C ATOM 96 SG CYS A 68 -9.327 -3.824 -0.924 1.00 0.00 S ATOM 0 H CYS A 68 -5.785 -3.591 0.341 1.00 0.00 H new ATOM 0 HA CYS A 68 -7.147 -5.552 -1.406 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -7.309 -2.543 -1.107 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -7.735 -3.290 -2.634 1.00 0.00 H new ATOM 0 HG CYS A 68 -10.061 -2.753 -0.996 1.00 0.00 H new ATOM 102 N LEU A 69 -4.361 -5.015 -1.943 1.00 0.00 N ATOM 103 CA LEU A 69 -3.213 -5.050 -2.839 1.00 0.00 C ATOM 104 C LEU A 69 -2.867 -6.495 -3.157 1.00 0.00 C ATOM 105 O LEU A 69 -2.947 -7.364 -2.288 1.00 0.00 O ATOM 106 CB LEU A 69 -2.007 -4.347 -2.216 1.00 0.00 C ATOM 107 CG LEU A 69 -2.222 -2.874 -1.881 1.00 0.00 C ATOM 108 CD1 LEU A 69 -0.939 -2.256 -1.345 1.00 0.00 C ATOM 109 CD2 LEU A 69 -2.712 -2.113 -3.104 1.00 0.00 C ATOM 0 H LEU A 69 -4.182 -5.398 -1.015 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.471 -4.523 -3.757 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.729 -4.875 -1.304 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.163 -4.429 -2.901 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.986 -2.806 -1.107 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.111 -1.205 -1.111 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.631 -2.783 -0.442 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.154 -2.337 -2.097 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.860 -1.065 -2.845 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.972 -2.189 -3.901 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.656 -2.539 -3.444 1.00 0.00 H new ATOM 121 N ARG A 70 -2.488 -6.751 -4.399 1.00 0.00 N ATOM 122 CA ARG A 70 -2.150 -8.100 -4.819 1.00 0.00 C ATOM 123 C ARG A 70 -0.657 -8.251 -5.075 1.00 0.00 C ATOM 124 O ARG A 70 -0.108 -7.644 -5.994 1.00 0.00 O ATOM 125 CB ARG A 70 -2.930 -8.467 -6.078 1.00 0.00 C ATOM 126 CG ARG A 70 -4.436 -8.358 -5.916 1.00 0.00 C ATOM 127 CD ARG A 70 -5.147 -8.799 -7.182 1.00 0.00 C ATOM 128 NE ARG A 70 -4.727 -10.137 -7.592 1.00 0.00 N ATOM 129 CZ ARG A 70 -4.557 -10.520 -8.858 1.00 0.00 C ATOM 130 NH1 ARG A 70 -4.811 -9.691 -9.864 1.00 0.00 N ATOM 131 NH2 ARG A 70 -4.144 -11.753 -9.119 1.00 0.00 N ATOM 0 H ARG A 70 -2.407 -6.045 -5.131 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.422 -8.777 -4.009 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -2.613 -7.817 -6.894 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.677 -9.487 -6.367 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.762 -8.973 -5.077 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.708 -7.329 -5.681 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.225 -8.789 -7.018 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.940 -8.090 -7.983 1.00 0.00 H new ATOM 0 HE ARG A 70 -4.552 -10.825 -6.860 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.142 -8.745 -9.674 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.675 -10.000 -10.826 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -3.959 -12.401 -8.354 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -4.012 -12.053 -10.085 1.00 0.00 H new ATOM 145 N GLU A 71 -0.008 -9.066 -4.253 1.00 0.00 N ATOM 146 CA GLU A 71 1.419 -9.319 -4.392 1.00 0.00 C ATOM 147 C GLU A 71 1.644 -10.607 -5.176 1.00 0.00 C ATOM 148 O GLU A 71 1.460 -11.703 -4.648 1.00 0.00 O ATOM 149 CB GLU A 71 2.073 -9.423 -3.014 1.00 0.00 C ATOM 150 CG GLU A 71 3.532 -9.844 -3.055 1.00 0.00 C ATOM 151 CD GLU A 71 3.978 -10.489 -1.758 1.00 0.00 C ATOM 152 OE1 GLU A 71 3.707 -9.911 -0.686 1.00 0.00 O ATOM 153 OE2 GLU A 71 4.592 -11.575 -1.816 1.00 0.00 O ATOM 0 H GLU A 71 -0.450 -9.564 -3.481 1.00 0.00 H new ATOM 0 HA GLU A 71 1.873 -8.489 -4.934 1.00 0.00 H new ATOM 0 HB2 GLU A 71 1.998 -8.458 -2.513 1.00 0.00 H new ATOM 0 HB3 GLU A 71 1.515 -10.139 -2.411 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.684 -10.543 -3.877 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.154 -8.973 -3.258 1.00 0.00 H new ATOM 160 N ASP A 72 2.039 -10.469 -6.436 1.00 0.00 N ATOM 161 CA ASP A 72 2.276 -11.627 -7.291 1.00 0.00 C ATOM 162 C ASP A 72 1.026 -12.495 -7.373 1.00 0.00 C ATOM 163 O ASP A 72 1.101 -13.722 -7.318 1.00 0.00 O ATOM 164 CB ASP A 72 3.453 -12.450 -6.765 1.00 0.00 C ATOM 165 CG ASP A 72 4.772 -11.716 -6.897 1.00 0.00 C ATOM 166 OD1 ASP A 72 5.019 -10.793 -6.094 1.00 0.00 O ATOM 167 OD2 ASP A 72 5.556 -12.063 -7.805 1.00 0.00 O ATOM 0 H ASP A 72 2.202 -9.569 -6.888 1.00 0.00 H new ATOM 0 HA ASP A 72 2.519 -11.269 -8.291 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.281 -12.698 -5.718 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.508 -13.392 -7.311 1.00 0.00 H new ATOM 172 N GLY A 73 -0.124 -11.845 -7.507 1.00 0.00 N ATOM 173 CA GLY A 73 -1.378 -12.567 -7.597 1.00 0.00 C ATOM 174 C GLY A 73 -1.954 -12.933 -6.241 1.00 0.00 C ATOM 175 O GLY A 73 -3.008 -13.564 -6.163 1.00 0.00 O ATOM 0 H GLY A 73 -0.210 -10.830 -7.555 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.102 -11.960 -8.140 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.226 -13.477 -8.178 1.00 0.00 H new ATOM 179 N GLU A 74 -1.271 -12.542 -5.165 1.00 0.00 N ATOM 180 CA GLU A 74 -1.744 -12.845 -3.820 1.00 0.00 C ATOM 181 C GLU A 74 -2.352 -11.617 -3.159 1.00 0.00 C ATOM 182 O GLU A 74 -1.701 -10.580 -3.029 1.00 0.00 O ATOM 183 CB GLU A 74 -0.609 -13.401 -2.956 1.00 0.00 C ATOM 184 CG GLU A 74 -0.503 -14.915 -3.003 1.00 0.00 C ATOM 185 CD GLU A 74 -1.839 -15.591 -2.771 1.00 0.00 C ATOM 186 OE1 GLU A 74 -2.585 -15.777 -3.756 1.00 0.00 O ATOM 187 OE2 GLU A 74 -2.147 -15.924 -1.607 1.00 0.00 O ATOM 0 H GLU A 74 -0.396 -12.019 -5.200 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.521 -13.605 -3.909 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.335 -12.967 -3.286 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.760 -13.086 -1.923 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.107 -15.220 -3.972 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.208 -15.251 -2.248 1.00 0.00 H new ATOM 194 N ARG A 75 -3.602 -11.751 -2.728 1.00 0.00 N ATOM 195 CA ARG A 75 -4.312 -10.649 -2.093 1.00 0.00 C ATOM 196 C ARG A 75 -3.825 -10.420 -0.663 1.00 0.00 C ATOM 197 O ARG A 75 -4.603 -10.481 0.283 1.00 0.00 O ATOM 198 CB ARG A 75 -5.817 -10.941 -2.103 1.00 0.00 C ATOM 199 CG ARG A 75 -6.615 -10.007 -2.996 1.00 0.00 C ATOM 200 CD ARG A 75 -6.885 -8.680 -2.307 1.00 0.00 C ATOM 201 NE ARG A 75 -7.458 -8.868 -0.978 1.00 0.00 N ATOM 202 CZ ARG A 75 -8.691 -9.315 -0.763 1.00 0.00 C ATOM 203 NH1 ARG A 75 -9.482 -9.608 -1.786 1.00 0.00 N ATOM 204 NH2 ARG A 75 -9.132 -9.473 0.477 1.00 0.00 N ATOM 0 H ARG A 75 -4.143 -12.612 -2.807 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.111 -9.738 -2.657 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.977 -11.968 -2.432 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -6.199 -10.870 -1.084 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -6.069 -9.833 -3.923 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -7.560 -10.478 -3.266 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.956 -8.116 -2.226 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -7.566 -8.086 -2.916 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.879 -8.644 -0.168 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -9.145 -9.491 -2.741 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -10.428 -9.951 -1.618 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.525 -9.251 1.266 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -10.078 -9.816 0.642 1.00 0.00 H new ATOM 218 N CYS A 76 -2.535 -10.111 -0.534 1.00 0.00 N ATOM 219 CA CYS A 76 -1.899 -9.837 0.757 1.00 0.00 C ATOM 220 C CYS A 76 -2.383 -10.770 1.879 1.00 0.00 C ATOM 221 O CYS A 76 -1.719 -11.757 2.199 1.00 0.00 O ATOM 222 CB CYS A 76 -2.118 -8.367 1.128 1.00 0.00 C ATOM 223 SG CYS A 76 -1.116 -7.786 2.514 1.00 0.00 S ATOM 0 H CYS A 76 -1.897 -10.043 -1.327 1.00 0.00 H new ATOM 0 HA CYS A 76 -0.833 -10.035 0.648 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -1.902 -7.749 0.256 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -3.170 -8.220 1.370 1.00 0.00 H new ATOM 228 N GLY A 77 -3.527 -10.454 2.483 1.00 0.00 N ATOM 229 CA GLY A 77 -4.049 -11.273 3.561 1.00 0.00 C ATOM 230 C GLY A 77 -4.083 -10.518 4.872 1.00 0.00 C ATOM 231 O GLY A 77 -4.949 -10.752 5.716 1.00 0.00 O ATOM 0 H GLY A 77 -4.100 -9.645 2.244 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.055 -11.609 3.308 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.433 -12.165 3.671 1.00 0.00 H new ATOM 235 N ARG A 78 -3.134 -9.603 5.038 1.00 0.00 N ATOM 236 CA ARG A 78 -3.048 -8.796 6.245 1.00 0.00 C ATOM 237 C ARG A 78 -4.244 -7.853 6.336 1.00 0.00 C ATOM 238 O ARG A 78 -4.724 -7.349 5.321 1.00 0.00 O ATOM 239 CB ARG A 78 -1.747 -7.991 6.249 1.00 0.00 C ATOM 240 CG ARG A 78 -1.354 -7.468 7.622 1.00 0.00 C ATOM 241 CD ARG A 78 -0.179 -6.507 7.536 1.00 0.00 C ATOM 242 NE ARG A 78 0.661 -6.561 8.731 1.00 0.00 N ATOM 243 CZ ARG A 78 1.785 -7.272 8.832 1.00 0.00 C ATOM 244 NH1 ARG A 78 2.211 -8.025 7.824 1.00 0.00 N ATOM 245 NH2 ARG A 78 2.485 -7.237 9.959 1.00 0.00 N ATOM 0 H ARG A 78 -2.411 -9.403 4.347 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.056 -9.460 7.110 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.942 -8.617 5.865 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.850 -7.148 5.565 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.206 -6.963 8.078 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.095 -8.305 8.271 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.422 -6.747 6.659 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.550 -5.491 7.400 1.00 0.00 H new ATOM 0 HE ARG A 78 0.368 -6.018 9.543 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.676 -8.066 6.956 1.00 0.00 H new ATOM 0 HH12 ARG A 78 3.073 -8.563 7.918 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.163 -6.668 10.742 1.00 0.00 H new ATOM 0 HH22 ARG A 78 3.345 -7.779 10.042 1.00 0.00 H new ATOM 259 N ALA A 79 -4.723 -7.621 7.550 1.00 0.00 N ATOM 260 CA ALA A 79 -5.865 -6.740 7.763 1.00 0.00 C ATOM 261 C ALA A 79 -5.570 -5.328 7.270 1.00 0.00 C ATOM 262 O ALA A 79 -4.412 -4.954 7.087 1.00 0.00 O ATOM 263 CB ALA A 79 -6.241 -6.714 9.237 1.00 0.00 C ATOM 0 H ALA A 79 -4.340 -8.030 8.402 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.705 -7.130 7.188 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.095 -6.053 9.383 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.502 -7.721 9.564 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.396 -6.350 9.822 1.00 0.00 H new ATOM 269 N ALA A 80 -6.624 -4.551 7.046 1.00 0.00 N ATOM 270 CA ALA A 80 -6.469 -3.174 6.594 1.00 0.00 C ATOM 271 C ALA A 80 -6.119 -2.276 7.772 1.00 0.00 C ATOM 272 O ALA A 80 -6.594 -2.492 8.888 1.00 0.00 O ATOM 273 CB ALA A 80 -7.733 -2.694 5.901 1.00 0.00 C ATOM 0 H ALA A 80 -7.591 -4.850 7.170 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.654 -3.129 5.872 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.598 -1.664 5.571 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.938 -3.328 5.038 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.571 -2.745 6.596 1.00 0.00 H new ATOM 279 N GLY A 81 -5.293 -1.266 7.523 1.00 0.00 N ATOM 280 CA GLY A 81 -4.876 -0.377 8.591 1.00 0.00 C ATOM 281 C GLY A 81 -5.559 0.976 8.570 1.00 0.00 C ATOM 282 O GLY A 81 -6.767 1.077 8.354 1.00 0.00 O ATOM 0 H GLY A 81 -4.906 -1.048 6.605 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.075 -0.858 9.549 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.798 -0.229 8.527 1.00 0.00 H new ATOM 286 N ASN A 82 -4.767 2.021 8.798 1.00 0.00 N ATOM 287 CA ASN A 82 -5.277 3.385 8.846 1.00 0.00 C ATOM 288 C ASN A 82 -4.813 4.218 7.648 1.00 0.00 C ATOM 289 O ASN A 82 -5.117 5.408 7.562 1.00 0.00 O ATOM 290 CB ASN A 82 -4.807 4.048 10.143 1.00 0.00 C ATOM 291 CG ASN A 82 -5.732 5.152 10.607 1.00 0.00 C ATOM 292 OD1 ASN A 82 -6.679 4.908 11.354 1.00 0.00 O ATOM 293 ND2 ASN A 82 -5.459 6.376 10.173 1.00 0.00 N ATOM 0 H ASN A 82 -3.762 1.946 8.953 1.00 0.00 H new ATOM 0 HA ASN A 82 -6.365 3.338 8.810 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -4.730 3.292 10.925 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -3.807 4.456 9.995 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -6.045 7.161 10.458 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -4.663 6.532 9.554 1.00 0.00 H new ATOM 300 N ALA A 83 -4.083 3.599 6.724 1.00 0.00 N ATOM 301 CA ALA A 83 -3.585 4.310 5.552 1.00 0.00 C ATOM 302 C ALA A 83 -4.587 4.275 4.404 1.00 0.00 C ATOM 303 O ALA A 83 -5.570 3.535 4.442 1.00 0.00 O ATOM 304 CB ALA A 83 -2.255 3.724 5.106 1.00 0.00 C ATOM 0 H ALA A 83 -3.825 2.613 6.764 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.441 5.353 5.835 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.895 4.264 4.230 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.528 3.815 5.913 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.387 2.672 4.854 1.00 0.00 H new ATOM 310 N SER A 84 -4.324 5.083 3.384 1.00 0.00 N ATOM 311 CA SER A 84 -5.187 5.153 2.215 1.00 0.00 C ATOM 312 C SER A 84 -4.367 5.001 0.941 1.00 0.00 C ATOM 313 O SER A 84 -3.147 5.161 0.956 1.00 0.00 O ATOM 314 CB SER A 84 -5.934 6.488 2.186 1.00 0.00 C ATOM 315 OG SER A 84 -6.444 6.819 3.466 1.00 0.00 O ATOM 0 H SER A 84 -3.514 5.702 3.345 1.00 0.00 H new ATOM 0 HA SER A 84 -5.910 4.339 2.273 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.263 7.276 1.845 1.00 0.00 H new ATOM 0 HB3 SER A 84 -6.753 6.434 1.469 1.00 0.00 H new ATOM 0 HG SER A 84 -6.915 7.677 3.419 1.00 0.00 H new ATOM 321 N PHE A 85 -5.036 4.681 -0.160 1.00 0.00 N ATOM 322 CA PHE A 85 -4.358 4.532 -1.440 1.00 0.00 C ATOM 323 C PHE A 85 -4.507 5.811 -2.252 1.00 0.00 C ATOM 324 O PHE A 85 -5.617 6.211 -2.604 1.00 0.00 O ATOM 325 CB PHE A 85 -4.919 3.343 -2.218 1.00 0.00 C ATOM 326 CG PHE A 85 -4.135 3.010 -3.456 1.00 0.00 C ATOM 327 CD1 PHE A 85 -2.912 2.364 -3.366 1.00 0.00 C ATOM 328 CD2 PHE A 85 -4.625 3.336 -4.710 1.00 0.00 C ATOM 329 CE1 PHE A 85 -2.195 2.046 -4.504 1.00 0.00 C ATOM 330 CE2 PHE A 85 -3.911 3.024 -5.851 1.00 0.00 C ATOM 331 CZ PHE A 85 -2.696 2.377 -5.748 1.00 0.00 C ATOM 0 H PHE A 85 -6.043 4.520 -0.192 1.00 0.00 H new ATOM 0 HA PHE A 85 -3.300 4.345 -1.254 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.940 2.470 -1.566 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.951 3.557 -2.498 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -2.515 2.106 -2.395 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.576 3.840 -4.797 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -1.245 1.540 -4.421 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.303 3.286 -6.823 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.138 2.130 -6.639 1.00 0.00 H new ATOM 341 N SER A 86 -3.382 6.453 -2.542 1.00 0.00 N ATOM 342 CA SER A 86 -3.388 7.698 -3.296 1.00 0.00 C ATOM 343 C SER A 86 -2.530 7.588 -4.551 1.00 0.00 C ATOM 344 O SER A 86 -2.215 6.490 -5.009 1.00 0.00 O ATOM 345 CB SER A 86 -2.869 8.835 -2.413 1.00 0.00 C ATOM 346 OG SER A 86 -1.477 8.705 -2.184 1.00 0.00 O ATOM 0 H SER A 86 -2.454 6.131 -2.266 1.00 0.00 H new ATOM 0 HA SER A 86 -4.413 7.907 -3.603 1.00 0.00 H new ATOM 0 HB2 SER A 86 -3.075 9.793 -2.890 1.00 0.00 H new ATOM 0 HB3 SER A 86 -3.400 8.832 -1.461 1.00 0.00 H new ATOM 0 HG SER A 86 -1.168 9.444 -1.619 1.00 0.00 H new ATOM 352 N LYS A 87 -2.209 8.738 -5.130 1.00 0.00 N ATOM 353 CA LYS A 87 -1.376 8.800 -6.329 1.00 0.00 C ATOM 354 C LYS A 87 0.102 8.676 -5.959 1.00 0.00 C ATOM 355 O LYS A 87 0.879 8.020 -6.652 1.00 0.00 O ATOM 356 CB LYS A 87 -1.622 10.101 -7.111 1.00 0.00 C ATOM 357 CG LYS A 87 -2.919 10.825 -6.756 1.00 0.00 C ATOM 358 CD LYS A 87 -4.140 9.923 -6.902 1.00 0.00 C ATOM 359 CE LYS A 87 -5.321 10.437 -6.086 1.00 0.00 C ATOM 360 NZ LYS A 87 -4.907 10.957 -4.753 1.00 0.00 N ATOM 0 H LYS A 87 -2.515 9.649 -4.787 1.00 0.00 H new ATOM 0 HA LYS A 87 -1.650 7.963 -6.971 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.785 10.777 -6.936 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.630 9.872 -8.177 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.860 11.191 -5.731 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.034 11.697 -7.400 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.423 9.861 -7.953 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -3.887 8.913 -6.580 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -5.826 11.228 -6.641 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -6.043 9.632 -5.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.730 10.976 -4.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.173 10.339 -4.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -4.529 11.920 -4.858 1.00 0.00 H new ATOM 374 N ARG A 88 0.478 9.338 -4.863 1.00 0.00 N ATOM 375 CA ARG A 88 1.854 9.323 -4.375 1.00 0.00 C ATOM 376 C ARG A 88 2.328 7.895 -4.129 1.00 0.00 C ATOM 377 O ARG A 88 3.480 7.558 -4.404 1.00 0.00 O ATOM 378 CB ARG A 88 1.956 10.176 -3.099 1.00 0.00 C ATOM 379 CG ARG A 88 3.210 9.945 -2.259 1.00 0.00 C ATOM 380 CD ARG A 88 3.080 8.752 -1.313 1.00 0.00 C ATOM 381 NE ARG A 88 1.764 8.678 -0.661 1.00 0.00 N ATOM 382 CZ ARG A 88 1.556 8.623 0.660 1.00 0.00 C ATOM 383 NH1 ARG A 88 2.563 8.618 1.527 1.00 0.00 N ATOM 384 NH2 ARG A 88 0.312 8.557 1.117 1.00 0.00 N ATOM 0 H ARG A 88 -0.159 9.895 -4.294 1.00 0.00 H new ATOM 0 HA ARG A 88 2.507 9.753 -5.134 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.916 11.228 -3.381 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.082 9.979 -2.479 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.061 9.786 -2.921 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.422 10.842 -1.677 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.256 7.832 -1.871 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.855 8.815 -0.549 1.00 0.00 H new ATOM 0 HE ARG A 88 0.942 8.668 -1.265 1.00 0.00 H new ATOM 0 HH11 ARG A 88 3.525 8.657 1.191 1.00 0.00 H new ATOM 0 HH12 ARG A 88 2.374 8.575 2.528 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.471 8.549 0.464 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.139 8.515 2.121 1.00 0.00 H new ATOM 398 N ILE A 89 1.434 7.059 -3.615 1.00 0.00 N ATOM 399 CA ILE A 89 1.764 5.666 -3.353 1.00 0.00 C ATOM 400 C ILE A 89 1.894 4.901 -4.666 1.00 0.00 C ATOM 401 O ILE A 89 2.789 4.075 -4.829 1.00 0.00 O ATOM 402 CB ILE A 89 0.703 4.998 -2.454 1.00 0.00 C ATOM 403 CG1 ILE A 89 0.650 5.707 -1.098 1.00 0.00 C ATOM 404 CG2 ILE A 89 1.002 3.517 -2.269 1.00 0.00 C ATOM 405 CD1 ILE A 89 -0.250 5.025 -0.091 1.00 0.00 C ATOM 0 H ILE A 89 0.479 7.321 -3.373 1.00 0.00 H new ATOM 0 HA ILE A 89 2.718 5.640 -2.826 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.269 5.086 -2.940 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.659 5.766 -0.689 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.305 6.730 -1.246 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.240 3.069 -1.632 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.000 3.021 -3.240 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.980 3.399 -1.803 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.237 5.583 0.845 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.268 4.989 -0.479 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.106 4.010 0.087 1.00 0.00 H new ATOM 417 N GLN A 90 0.997 5.193 -5.603 1.00 0.00 N ATOM 418 CA GLN A 90 1.022 4.552 -6.914 1.00 0.00 C ATOM 419 C GLN A 90 2.324 4.890 -7.629 1.00 0.00 C ATOM 420 O GLN A 90 2.907 4.052 -8.317 1.00 0.00 O ATOM 421 CB GLN A 90 -0.178 5.012 -7.745 1.00 0.00 C ATOM 422 CG GLN A 90 -0.212 4.448 -9.158 1.00 0.00 C ATOM 423 CD GLN A 90 0.365 5.404 -10.185 1.00 0.00 C ATOM 424 OE1 GLN A 90 1.528 5.294 -10.571 1.00 0.00 O ATOM 425 NE2 GLN A 90 -0.447 6.359 -10.622 1.00 0.00 N ATOM 0 H GLN A 90 0.244 5.869 -5.479 1.00 0.00 H new ATOM 0 HA GLN A 90 0.962 3.471 -6.786 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -1.094 4.725 -7.229 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -0.171 6.101 -7.801 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.347 3.512 -9.185 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -1.242 4.212 -9.426 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -1.405 6.413 -10.275 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -0.113 7.039 -11.305 1.00 0.00 H new ATOM 434 N LYS A 91 2.775 6.128 -7.452 1.00 0.00 N ATOM 435 CA LYS A 91 4.013 6.587 -8.061 1.00 0.00 C ATOM 436 C LYS A 91 5.198 5.876 -7.418 1.00 0.00 C ATOM 437 O LYS A 91 6.080 5.364 -8.108 1.00 0.00 O ATOM 438 CB LYS A 91 4.146 8.100 -7.895 1.00 0.00 C ATOM 439 CG LYS A 91 4.611 8.814 -9.153 1.00 0.00 C ATOM 440 CD LYS A 91 6.060 9.257 -9.044 1.00 0.00 C ATOM 441 CE LYS A 91 6.468 10.098 -10.241 1.00 0.00 C ATOM 442 NZ LYS A 91 5.439 11.120 -10.577 1.00 0.00 N ATOM 0 H LYS A 91 2.297 6.832 -6.889 1.00 0.00 H new ATOM 0 HA LYS A 91 3.998 6.354 -9.126 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.183 8.509 -7.591 1.00 0.00 H new ATOM 0 HB3 LYS A 91 4.850 8.308 -7.089 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.496 8.152 -10.011 1.00 0.00 H new ATOM 0 HG3 LYS A 91 3.978 9.682 -9.334 1.00 0.00 H new ATOM 0 HD2 LYS A 91 6.200 9.831 -8.128 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.706 8.382 -8.973 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.416 10.593 -10.031 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.631 9.450 -11.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.891 11.922 -11.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.722 10.698 -11.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 4.984 11.455 -9.704 1.00 0.00 H new ATOM 456 N SER A 92 5.206 5.847 -6.088 1.00 0.00 N ATOM 457 CA SER A 92 6.268 5.181 -5.346 1.00 0.00 C ATOM 458 C SER A 92 6.393 3.734 -5.803 1.00 0.00 C ATOM 459 O SER A 92 7.495 3.211 -5.957 1.00 0.00 O ATOM 460 CB SER A 92 5.983 5.238 -3.842 1.00 0.00 C ATOM 461 OG SER A 92 6.838 4.365 -3.120 1.00 0.00 O ATOM 0 H SER A 92 4.489 6.277 -5.504 1.00 0.00 H new ATOM 0 HA SER A 92 7.209 5.696 -5.541 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.116 6.259 -3.483 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.944 4.968 -3.656 1.00 0.00 H new ATOM 0 HG SER A 92 6.632 4.422 -2.164 1.00 0.00 H new ATOM 467 N ILE A 93 5.247 3.094 -6.021 1.00 0.00 N ATOM 468 CA ILE A 93 5.218 1.711 -6.482 1.00 0.00 C ATOM 469 C ILE A 93 5.755 1.621 -7.908 1.00 0.00 C ATOM 470 O ILE A 93 6.544 0.734 -8.230 1.00 0.00 O ATOM 471 CB ILE A 93 3.784 1.130 -6.433 1.00 0.00 C ATOM 472 CG1 ILE A 93 3.275 1.076 -4.993 1.00 0.00 C ATOM 473 CG2 ILE A 93 3.738 -0.260 -7.058 1.00 0.00 C ATOM 474 CD1 ILE A 93 1.801 0.747 -4.887 1.00 0.00 C ATOM 0 H ILE A 93 4.327 3.512 -5.885 1.00 0.00 H new ATOM 0 HA ILE A 93 5.850 1.125 -5.814 1.00 0.00 H new ATOM 0 HB ILE A 93 3.135 1.789 -7.010 1.00 0.00 H new ATOM 0 HG12 ILE A 93 3.847 0.330 -4.441 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.460 2.037 -4.514 1.00 0.00 H new ATOM 0 HG21 ILE A 93 2.720 -0.646 -7.011 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.057 -0.202 -8.099 1.00 0.00 H new ATOM 0 HG23 ILE A 93 4.405 -0.927 -6.511 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.508 0.725 -3.837 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.220 1.506 -5.410 1.00 0.00 H new ATOM 0 HD13 ILE A 93 1.613 -0.228 -5.337 1.00 0.00 H new ATOM 486 N SER A 94 5.320 2.551 -8.755 1.00 0.00 N ATOM 487 CA SER A 94 5.752 2.582 -10.147 1.00 0.00 C ATOM 488 C SER A 94 7.270 2.679 -10.248 1.00 0.00 C ATOM 489 O SER A 94 7.908 1.868 -10.919 1.00 0.00 O ATOM 490 CB SER A 94 5.101 3.753 -10.884 1.00 0.00 C ATOM 491 OG SER A 94 3.724 3.508 -11.113 1.00 0.00 O ATOM 0 H SER A 94 4.668 3.293 -8.500 1.00 0.00 H new ATOM 0 HA SER A 94 5.436 1.650 -10.616 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.219 4.666 -10.300 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.608 3.915 -11.835 1.00 0.00 H new ATOM 0 HG SER A 94 3.202 4.289 -10.834 1.00 0.00 H new ATOM 497 N GLN A 95 7.847 3.678 -9.584 1.00 0.00 N ATOM 498 CA GLN A 95 9.293 3.859 -9.604 1.00 0.00 C ATOM 499 C GLN A 95 9.976 2.658 -8.961 1.00 0.00 C ATOM 500 O GLN A 95 11.033 2.215 -9.412 1.00 0.00 O ATOM 501 CB GLN A 95 9.688 5.145 -8.878 1.00 0.00 C ATOM 502 CG GLN A 95 11.156 5.506 -9.040 1.00 0.00 C ATOM 503 CD GLN A 95 11.572 5.623 -10.495 1.00 0.00 C ATOM 504 OE1 GLN A 95 11.483 6.694 -11.095 1.00 0.00 O ATOM 505 NE2 GLN A 95 12.031 4.517 -11.070 1.00 0.00 N ATOM 0 H GLN A 95 7.339 4.368 -9.031 1.00 0.00 H new ATOM 0 HA GLN A 95 9.618 3.940 -10.641 1.00 0.00 H new ATOM 0 HB2 GLN A 95 9.077 5.966 -9.252 1.00 0.00 H new ATOM 0 HB3 GLN A 95 9.463 5.038 -7.817 1.00 0.00 H new ATOM 0 HG2 GLN A 95 11.352 6.451 -8.533 1.00 0.00 H new ATOM 0 HG3 GLN A 95 11.769 4.749 -8.551 1.00 0.00 H new ATOM 0 HE21 GLN A 95 12.088 3.650 -10.535 1.00 0.00 H new ATOM 0 HE22 GLN A 95 12.326 4.535 -12.046 1.00 0.00 H new ATOM 514 N LYS A 96 9.362 2.135 -7.903 1.00 0.00 N ATOM 515 CA LYS A 96 9.898 0.970 -7.213 1.00 0.00 C ATOM 516 C LYS A 96 10.069 -0.181 -8.191 1.00 0.00 C ATOM 517 O LYS A 96 11.049 -0.923 -8.136 1.00 0.00 O ATOM 518 CB LYS A 96 8.959 0.530 -6.085 1.00 0.00 C ATOM 519 CG LYS A 96 9.284 1.138 -4.733 1.00 0.00 C ATOM 520 CD LYS A 96 8.560 0.410 -3.612 1.00 0.00 C ATOM 521 CE LYS A 96 8.937 -1.063 -3.572 1.00 0.00 C ATOM 522 NZ LYS A 96 10.413 -1.259 -3.628 1.00 0.00 N ATOM 0 H LYS A 96 8.496 2.500 -7.507 1.00 0.00 H new ATOM 0 HA LYS A 96 10.865 1.242 -6.789 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.937 0.795 -6.354 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.995 -0.556 -6.001 1.00 0.00 H new ATOM 0 HG2 LYS A 96 10.360 1.096 -4.562 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.002 2.191 -4.728 1.00 0.00 H new ATOM 0 HD2 LYS A 96 8.804 0.875 -2.657 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.483 0.508 -3.749 1.00 0.00 H new ATOM 0 HE2 LYS A 96 8.545 -1.514 -2.660 1.00 0.00 H new ATOM 0 HE3 LYS A 96 8.470 -1.581 -4.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 10.673 -2.099 -3.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 10.708 -1.393 -4.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 10.889 -0.422 -3.235 1.00 0.00 H new ATOM 536 N LYS A 97 9.102 -0.316 -9.092 1.00 0.00 N ATOM 537 CA LYS A 97 9.119 -1.383 -10.078 1.00 0.00 C ATOM 538 C LYS A 97 8.940 -2.725 -9.382 1.00 0.00 C ATOM 539 O LYS A 97 9.903 -3.459 -9.156 1.00 0.00 O ATOM 540 CB LYS A 97 10.426 -1.354 -10.873 1.00 0.00 C ATOM 541 CG LYS A 97 10.710 -0.002 -11.507 1.00 0.00 C ATOM 542 CD LYS A 97 10.885 -0.119 -13.012 1.00 0.00 C ATOM 543 CE LYS A 97 10.708 1.224 -13.699 1.00 0.00 C ATOM 544 NZ LYS A 97 10.550 1.076 -15.173 1.00 0.00 N ATOM 0 H LYS A 97 8.295 0.304 -9.157 1.00 0.00 H new ATOM 0 HA LYS A 97 8.296 -1.237 -10.778 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.252 -1.619 -10.213 1.00 0.00 H new ATOM 0 HB3 LYS A 97 10.386 -2.113 -11.654 1.00 0.00 H new ATOM 0 HG2 LYS A 97 9.892 0.683 -11.287 1.00 0.00 H new ATOM 0 HG3 LYS A 97 11.611 0.425 -11.067 1.00 0.00 H new ATOM 0 HD2 LYS A 97 11.876 -0.515 -13.234 1.00 0.00 H new ATOM 0 HD3 LYS A 97 10.161 -0.830 -13.409 1.00 0.00 H new ATOM 0 HE2 LYS A 97 9.834 1.729 -13.289 1.00 0.00 H new ATOM 0 HE3 LYS A 97 11.570 1.857 -13.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 10.432 2.014 -15.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 11.395 0.617 -15.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 9.713 0.494 -15.376 1.00 0.00 H new ATOM 558 N VAL A 98 7.695 -3.024 -9.024 1.00 0.00 N ATOM 559 CA VAL A 98 7.368 -4.263 -8.334 1.00 0.00 C ATOM 560 C VAL A 98 6.031 -4.821 -8.811 1.00 0.00 C ATOM 561 O VAL A 98 5.392 -4.252 -9.695 1.00 0.00 O ATOM 562 CB VAL A 98 7.308 -4.044 -6.811 1.00 0.00 C ATOM 563 CG1 VAL A 98 8.703 -3.814 -6.250 1.00 0.00 C ATOM 564 CG2 VAL A 98 6.397 -2.871 -6.480 1.00 0.00 C ATOM 0 H VAL A 98 6.893 -2.420 -9.203 1.00 0.00 H new ATOM 0 HA VAL A 98 8.156 -4.979 -8.565 1.00 0.00 H new ATOM 0 HB VAL A 98 6.897 -4.941 -6.348 1.00 0.00 H new ATOM 0 HG11 VAL A 98 8.641 -3.661 -5.173 1.00 0.00 H new ATOM 0 HG12 VAL A 98 9.327 -4.683 -6.458 1.00 0.00 H new ATOM 0 HG13 VAL A 98 9.142 -2.932 -6.717 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.365 -2.729 -5.400 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.781 -1.967 -6.954 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.392 -3.075 -6.849 1.00 0.00 H new ATOM 574 N LYS A 99 5.611 -5.936 -8.220 1.00 0.00 N ATOM 575 CA LYS A 99 4.350 -6.564 -8.597 1.00 0.00 C ATOM 576 C LYS A 99 3.263 -6.299 -7.562 1.00 0.00 C ATOM 577 O LYS A 99 2.822 -7.209 -6.859 1.00 0.00 O ATOM 578 CB LYS A 99 4.537 -8.070 -8.790 1.00 0.00 C ATOM 579 CG LYS A 99 5.521 -8.418 -9.894 1.00 0.00 C ATOM 580 CD LYS A 99 5.161 -9.729 -10.571 1.00 0.00 C ATOM 581 CE LYS A 99 6.090 -10.025 -11.737 1.00 0.00 C ATOM 582 NZ LYS A 99 6.156 -8.888 -12.697 1.00 0.00 N ATOM 0 H LYS A 99 6.122 -6.420 -7.482 1.00 0.00 H new ATOM 0 HA LYS A 99 4.031 -6.122 -9.541 1.00 0.00 H new ATOM 0 HB2 LYS A 99 4.882 -8.509 -7.854 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.572 -8.523 -9.017 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.536 -7.618 -10.634 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.526 -8.487 -9.478 1.00 0.00 H new ATOM 0 HD2 LYS A 99 5.215 -10.541 -9.846 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.131 -9.686 -10.926 1.00 0.00 H new ATOM 0 HE2 LYS A 99 7.090 -10.240 -11.359 1.00 0.00 H new ATOM 0 HE3 LYS A 99 5.747 -10.920 -12.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 6.537 -9.222 -13.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 5.202 -8.501 -12.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 6.776 -8.146 -12.314 1.00 0.00 H new ATOM 596 N ILE A 100 2.839 -5.045 -7.475 1.00 0.00 N ATOM 597 CA ILE A 100 1.792 -4.649 -6.543 1.00 0.00 C ATOM 598 C ILE A 100 0.891 -3.596 -7.179 1.00 0.00 C ATOM 599 O ILE A 100 1.269 -2.431 -7.299 1.00 0.00 O ATOM 600 CB ILE A 100 2.378 -4.100 -5.218 1.00 0.00 C ATOM 601 CG1 ILE A 100 3.132 -5.204 -4.475 1.00 0.00 C ATOM 602 CG2 ILE A 100 1.280 -3.522 -4.330 1.00 0.00 C ATOM 603 CD1 ILE A 100 3.642 -4.776 -3.116 1.00 0.00 C ATOM 0 H ILE A 100 3.207 -4.281 -8.042 1.00 0.00 H new ATOM 0 HA ILE A 100 1.209 -5.540 -6.310 1.00 0.00 H new ATOM 0 HB ILE A 100 3.074 -3.298 -5.463 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.474 -6.064 -4.353 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.975 -5.531 -5.084 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.720 -3.144 -3.407 1.00 0.00 H new ATOM 0 HG22 ILE A 100 0.780 -2.707 -4.854 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.555 -4.301 -4.094 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.166 -5.608 -2.646 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.326 -3.935 -3.232 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.802 -4.476 -2.490 1.00 0.00 H new ATOM 615 N GLU A 101 -0.296 -4.018 -7.597 1.00 0.00 N ATOM 616 CA GLU A 101 -1.251 -3.108 -8.212 1.00 0.00 C ATOM 617 C GLU A 101 -2.582 -3.161 -7.480 1.00 0.00 C ATOM 618 O GLU A 101 -2.882 -4.135 -6.788 1.00 0.00 O ATOM 619 CB GLU A 101 -1.454 -3.445 -9.691 1.00 0.00 C ATOM 620 CG GLU A 101 -2.199 -4.748 -9.931 1.00 0.00 C ATOM 621 CD GLU A 101 -2.959 -4.742 -11.242 1.00 0.00 C ATOM 622 OE1 GLU A 101 -2.485 -4.097 -12.200 1.00 0.00 O ATOM 623 OE2 GLU A 101 -4.035 -5.374 -11.308 1.00 0.00 O ATOM 0 H GLU A 101 -0.619 -4.983 -7.521 1.00 0.00 H new ATOM 0 HA GLU A 101 -0.847 -2.098 -8.141 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.002 -2.632 -10.166 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.480 -3.500 -10.178 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -1.490 -5.576 -9.929 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.895 -4.923 -9.111 1.00 0.00 H new ATOM 630 N LEU A 102 -3.380 -2.117 -7.639 1.00 0.00 N ATOM 631 CA LEU A 102 -4.673 -2.055 -6.979 1.00 0.00 C ATOM 632 C LEU A 102 -5.704 -2.933 -7.672 1.00 0.00 C ATOM 633 O LEU A 102 -5.847 -2.902 -8.895 1.00 0.00 O ATOM 634 CB LEU A 102 -5.195 -0.623 -6.932 1.00 0.00 C ATOM 635 CG LEU A 102 -6.576 -0.492 -6.298 1.00 0.00 C ATOM 636 CD1 LEU A 102 -6.468 -0.081 -4.841 1.00 0.00 C ATOM 637 CD2 LEU A 102 -7.435 0.483 -7.070 1.00 0.00 C ATOM 0 H LEU A 102 -3.157 -1.306 -8.216 1.00 0.00 H new ATOM 0 HA LEU A 102 -4.523 -2.424 -5.964 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.489 -0.007 -6.374 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.232 -0.226 -7.947 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.057 -1.469 -6.338 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.466 0.005 -4.412 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -5.901 -0.833 -4.292 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -5.959 0.880 -4.771 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -8.414 0.558 -6.597 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.958 1.463 -7.075 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.553 0.132 -8.095 1.00 0.00 H new ATOM 649 N ASP A 103 -6.422 -3.711 -6.875 1.00 0.00 N ATOM 650 CA ASP A 103 -7.471 -4.572 -7.393 1.00 0.00 C ATOM 651 C ASP A 103 -8.728 -3.738 -7.607 1.00 0.00 C ATOM 652 O ASP A 103 -9.317 -3.240 -6.649 1.00 0.00 O ATOM 653 CB ASP A 103 -7.759 -5.709 -6.412 1.00 0.00 C ATOM 654 CG ASP A 103 -8.738 -6.727 -6.968 1.00 0.00 C ATOM 655 OD1 ASP A 103 -8.943 -6.743 -8.200 1.00 0.00 O ATOM 656 OD2 ASP A 103 -9.298 -7.510 -6.171 1.00 0.00 O ATOM 0 H ASP A 103 -6.295 -3.762 -5.864 1.00 0.00 H new ATOM 0 HA ASP A 103 -7.150 -5.009 -8.339 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -6.825 -6.210 -6.158 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.159 -5.293 -5.487 1.00 0.00 H new ATOM 661 N LYS A 104 -9.124 -3.569 -8.862 1.00 0.00 N ATOM 662 CA LYS A 104 -10.302 -2.769 -9.182 1.00 0.00 C ATOM 663 C LYS A 104 -11.598 -3.474 -8.781 1.00 0.00 C ATOM 664 O LYS A 104 -12.663 -2.858 -8.772 1.00 0.00 O ATOM 665 CB LYS A 104 -10.325 -2.433 -10.673 1.00 0.00 C ATOM 666 CG LYS A 104 -9.150 -1.576 -11.123 1.00 0.00 C ATOM 667 CD LYS A 104 -9.577 -0.149 -11.441 1.00 0.00 C ATOM 668 CE LYS A 104 -9.541 0.740 -10.208 1.00 0.00 C ATOM 669 NZ LYS A 104 -9.592 2.185 -10.566 1.00 0.00 N ATOM 0 H LYS A 104 -8.651 -3.972 -9.671 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.237 -1.847 -8.605 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -10.328 -3.360 -11.246 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -11.254 -1.912 -10.905 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -8.390 -1.562 -10.341 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -8.691 -2.023 -12.005 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -8.920 0.265 -12.206 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -10.585 -0.155 -11.855 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -10.383 0.496 -9.560 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -8.632 0.538 -9.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -9.565 2.759 -9.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -8.775 2.424 -11.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -10.471 2.383 -11.085 1.00 0.00 H new ATOM 683 N SER A 105 -11.510 -4.760 -8.448 1.00 0.00 N ATOM 684 CA SER A 105 -12.688 -5.522 -8.044 1.00 0.00 C ATOM 685 C SER A 105 -12.831 -5.530 -6.523 1.00 0.00 C ATOM 686 O SER A 105 -13.331 -6.494 -5.942 1.00 0.00 O ATOM 687 CB SER A 105 -12.597 -6.956 -8.569 1.00 0.00 C ATOM 688 OG SER A 105 -11.440 -7.609 -8.077 1.00 0.00 O ATOM 0 H SER A 105 -10.640 -5.293 -8.450 1.00 0.00 H new ATOM 0 HA SER A 105 -13.568 -5.043 -8.472 1.00 0.00 H new ATOM 0 HB2 SER A 105 -13.486 -7.512 -8.271 1.00 0.00 H new ATOM 0 HB3 SER A 105 -12.577 -6.947 -9.659 1.00 0.00 H new ATOM 0 HG SER A 105 -10.642 -7.213 -8.486 1.00 0.00 H new ATOM 694 N ALA A 106 -12.398 -4.443 -5.887 1.00 0.00 N ATOM 695 CA ALA A 106 -12.466 -4.320 -4.435 1.00 0.00 C ATOM 696 C ALA A 106 -13.624 -3.415 -4.005 1.00 0.00 C ATOM 697 O ALA A 106 -14.630 -3.311 -4.707 1.00 0.00 O ATOM 698 CB ALA A 106 -11.140 -3.796 -3.900 1.00 0.00 C ATOM 0 H ALA A 106 -11.995 -3.633 -6.358 1.00 0.00 H new ATOM 0 HA ALA A 106 -12.653 -5.308 -4.013 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.196 -3.706 -2.815 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -10.341 -4.488 -4.166 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -10.933 -2.818 -4.335 1.00 0.00 H new ATOM 704 N ARG A 107 -13.485 -2.770 -2.843 1.00 0.00 N ATOM 705 CA ARG A 107 -14.520 -1.885 -2.329 1.00 0.00 C ATOM 706 C ARG A 107 -13.929 -0.571 -1.827 1.00 0.00 C ATOM 707 O ARG A 107 -14.012 0.461 -2.493 1.00 0.00 O ATOM 708 CB ARG A 107 -15.273 -2.573 -1.189 1.00 0.00 C ATOM 709 CG ARG A 107 -16.696 -2.961 -1.543 1.00 0.00 C ATOM 710 CD ARG A 107 -17.083 -4.285 -0.906 1.00 0.00 C ATOM 711 NE ARG A 107 -16.171 -5.362 -1.297 1.00 0.00 N ATOM 712 CZ ARG A 107 -15.202 -5.861 -0.524 1.00 0.00 C ATOM 713 NH1 ARG A 107 -14.977 -5.382 0.696 1.00 0.00 N ATOM 714 NH2 ARG A 107 -14.443 -6.847 -0.983 1.00 0.00 N ATOM 0 H ARG A 107 -12.663 -2.848 -2.244 1.00 0.00 H new ATOM 0 HA ARG A 107 -15.207 -1.662 -3.146 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -14.725 -3.467 -0.892 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -15.291 -1.909 -0.325 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -17.381 -2.181 -1.210 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -16.797 -3.033 -2.626 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -17.080 -4.181 0.179 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -18.100 -4.546 -1.198 1.00 0.00 H new ATOM 0 HE ARG A 107 -16.284 -5.761 -2.229 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -15.549 -4.619 1.058 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -14.232 -5.777 1.270 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -14.601 -7.219 -1.920 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -13.701 -7.234 -0.399 1.00 0.00 H new ATOM 728 N HIS A 108 -13.326 -0.628 -0.647 1.00 0.00 N ATOM 729 CA HIS A 108 -12.736 0.549 -0.022 1.00 0.00 C ATOM 730 C HIS A 108 -11.298 0.779 -0.477 1.00 0.00 C ATOM 731 O HIS A 108 -10.731 -0.016 -1.225 1.00 0.00 O ATOM 732 CB HIS A 108 -12.772 0.390 1.497 1.00 0.00 C ATOM 733 CG HIS A 108 -12.044 -0.829 1.980 1.00 0.00 C ATOM 734 ND1 HIS A 108 -10.693 -0.841 2.227 1.00 0.00 N ATOM 735 CD2 HIS A 108 -12.485 -2.078 2.255 1.00 0.00 C ATOM 736 CE1 HIS A 108 -10.328 -2.043 2.635 1.00 0.00 C ATOM 737 NE2 HIS A 108 -11.398 -2.813 2.663 1.00 0.00 N ATOM 0 H HIS A 108 -13.232 -1.484 -0.100 1.00 0.00 H new ATOM 0 HA HIS A 108 -13.322 1.416 -0.327 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -12.333 1.274 1.959 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -13.810 0.340 1.826 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -13.502 -2.432 2.170 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -9.325 -2.344 2.900 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -11.416 -3.794 2.942 1.00 0.00 H new ATOM 746 N LEU A 109 -10.722 1.887 -0.015 1.00 0.00 N ATOM 747 CA LEU A 109 -9.347 2.239 -0.339 1.00 0.00 C ATOM 748 C LEU A 109 -8.527 2.356 0.941 1.00 0.00 C ATOM 749 O LEU A 109 -8.128 3.449 1.344 1.00 0.00 O ATOM 750 CB LEU A 109 -9.296 3.555 -1.120 1.00 0.00 C ATOM 751 CG LEU A 109 -9.936 3.510 -2.508 1.00 0.00 C ATOM 752 CD1 LEU A 109 -10.236 4.916 -3.000 1.00 0.00 C ATOM 753 CD2 LEU A 109 -9.026 2.786 -3.490 1.00 0.00 C ATOM 0 H LEU A 109 -11.194 2.560 0.590 1.00 0.00 H new ATOM 0 HA LEU A 109 -8.924 1.453 -0.964 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -9.792 4.328 -0.533 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -8.254 3.856 -1.227 1.00 0.00 H new ATOM 0 HG LEU A 109 -10.875 2.961 -2.438 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -10.691 4.866 -3.989 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -10.923 5.405 -2.309 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -9.309 5.488 -3.055 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.497 2.763 -4.473 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -8.072 3.310 -3.556 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -8.856 1.766 -3.145 1.00 0.00 H new ATOM 765 N TYR A 110 -8.284 1.214 1.569 1.00 0.00 N ATOM 766 CA TYR A 110 -7.525 1.159 2.812 1.00 0.00 C ATOM 767 C TYR A 110 -6.515 0.028 2.748 1.00 0.00 C ATOM 768 O TYR A 110 -6.882 -1.141 2.628 1.00 0.00 O ATOM 769 CB TYR A 110 -8.444 0.954 4.023 1.00 0.00 C ATOM 770 CG TYR A 110 -9.172 2.201 4.473 1.00 0.00 C ATOM 771 CD1 TYR A 110 -8.524 3.174 5.225 1.00 0.00 C ATOM 772 CD2 TYR A 110 -10.510 2.401 4.156 1.00 0.00 C ATOM 773 CE1 TYR A 110 -9.188 4.311 5.645 1.00 0.00 C ATOM 774 CE2 TYR A 110 -11.181 3.536 4.574 1.00 0.00 C ATOM 775 CZ TYR A 110 -10.515 4.487 5.318 1.00 0.00 C ATOM 776 OH TYR A 110 -11.179 5.617 5.737 1.00 0.00 O ATOM 0 H TYR A 110 -8.605 0.305 1.235 1.00 0.00 H new ATOM 0 HA TYR A 110 -7.010 2.112 2.932 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -9.179 0.187 3.780 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -7.850 0.575 4.854 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -7.485 3.039 5.485 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -11.035 1.658 3.574 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -8.669 5.058 6.227 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -12.221 3.677 4.319 1.00 0.00 H new ATOM 0 HH TYR A 110 -12.106 5.587 5.422 1.00 0.00 H new ATOM 786 N ILE A 111 -5.246 0.383 2.821 1.00 0.00 N ATOM 787 CA ILE A 111 -4.181 -0.602 2.769 1.00 0.00 C ATOM 788 C ILE A 111 -3.789 -1.054 4.168 1.00 0.00 C ATOM 789 O ILE A 111 -4.255 -0.503 5.165 1.00 0.00 O ATOM 790 CB ILE A 111 -2.937 -0.053 2.045 1.00 0.00 C ATOM 791 CG1 ILE A 111 -2.467 1.252 2.695 1.00 0.00 C ATOM 792 CG2 ILE A 111 -3.239 0.165 0.570 1.00 0.00 C ATOM 793 CD1 ILE A 111 -1.230 1.836 2.051 1.00 0.00 C ATOM 0 H ILE A 111 -4.927 1.347 2.917 1.00 0.00 H new ATOM 0 HA ILE A 111 -4.564 -1.455 2.208 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.135 -0.786 2.131 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -3.273 1.984 2.645 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -2.266 1.071 3.751 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -2.351 0.553 0.070 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -3.527 -0.782 0.114 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.055 0.880 0.468 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.955 2.758 2.562 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.410 1.122 2.124 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -1.432 2.049 1.001 1.00 0.00 H new ATOM 805 N CYS A 112 -2.937 -2.064 4.233 1.00 0.00 N ATOM 806 CA CYS A 112 -2.474 -2.590 5.508 1.00 0.00 C ATOM 807 C CYS A 112 -1.240 -1.832 5.982 1.00 0.00 C ATOM 808 O CYS A 112 -0.647 -1.063 5.225 1.00 0.00 O ATOM 809 CB CYS A 112 -2.163 -4.082 5.380 1.00 0.00 C ATOM 810 SG CYS A 112 -1.088 -4.495 3.987 1.00 0.00 S ATOM 0 H CYS A 112 -2.551 -2.537 3.416 1.00 0.00 H new ATOM 0 HA CYS A 112 -3.265 -2.457 6.246 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -1.693 -4.425 6.302 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -3.100 -4.630 5.277 1.00 0.00 H new ATOM 815 N ASP A 113 -0.861 -2.042 7.237 1.00 0.00 N ATOM 816 CA ASP A 113 0.310 -1.378 7.798 1.00 0.00 C ATOM 817 C ASP A 113 1.578 -1.852 7.098 1.00 0.00 C ATOM 818 O ASP A 113 2.513 -1.080 6.888 1.00 0.00 O ATOM 819 CB ASP A 113 0.413 -1.646 9.302 1.00 0.00 C ATOM 820 CG ASP A 113 -0.473 -0.724 10.116 1.00 0.00 C ATOM 821 OD1 ASP A 113 -0.169 0.486 10.179 1.00 0.00 O ATOM 822 OD2 ASP A 113 -1.467 -1.212 10.694 1.00 0.00 O ATOM 0 H ASP A 113 -1.345 -2.664 7.884 1.00 0.00 H new ATOM 0 HA ASP A 113 0.200 -0.305 7.640 1.00 0.00 H new ATOM 0 HB2 ASP A 113 0.137 -2.681 9.503 1.00 0.00 H new ATOM 0 HB3 ASP A 113 1.449 -1.524 9.620 1.00 0.00 H new ATOM 827 N TYR A 114 1.594 -3.129 6.736 1.00 0.00 N ATOM 828 CA TYR A 114 2.738 -3.727 6.058 1.00 0.00 C ATOM 829 C TYR A 114 3.091 -2.957 4.789 1.00 0.00 C ATOM 830 O TYR A 114 4.190 -2.411 4.667 1.00 0.00 O ATOM 831 CB TYR A 114 2.426 -5.186 5.719 1.00 0.00 C ATOM 832 CG TYR A 114 3.524 -5.894 4.956 1.00 0.00 C ATOM 833 CD1 TYR A 114 4.693 -6.295 5.592 1.00 0.00 C ATOM 834 CD2 TYR A 114 3.386 -6.172 3.601 1.00 0.00 C ATOM 835 CE1 TYR A 114 5.692 -6.951 4.899 1.00 0.00 C ATOM 836 CE2 TYR A 114 4.381 -6.827 2.902 1.00 0.00 C ATOM 837 CZ TYR A 114 5.532 -7.214 3.555 1.00 0.00 C ATOM 838 OH TYR A 114 6.525 -7.868 2.863 1.00 0.00 O ATOM 0 H TYR A 114 0.822 -3.775 6.902 1.00 0.00 H new ATOM 0 HA TYR A 114 3.598 -3.683 6.726 1.00 0.00 H new ATOM 0 HB2 TYR A 114 2.234 -5.729 6.644 1.00 0.00 H new ATOM 0 HB3 TYR A 114 1.509 -5.223 5.131 1.00 0.00 H new ATOM 0 HD1 TYR A 114 4.822 -6.091 6.645 1.00 0.00 H new ATOM 0 HD2 TYR A 114 2.486 -5.871 3.086 1.00 0.00 H new ATOM 0 HE1 TYR A 114 6.594 -7.256 5.408 1.00 0.00 H new ATOM 0 HE2 TYR A 114 4.258 -7.035 1.849 1.00 0.00 H new ATOM 0 HH TYR A 114 6.255 -7.976 1.927 1.00 0.00 H new ATOM 848 N HIS A 115 2.152 -2.905 3.850 1.00 0.00 N ATOM 849 CA HIS A 115 2.373 -2.211 2.588 1.00 0.00 C ATOM 850 C HIS A 115 2.533 -0.706 2.790 1.00 0.00 C ATOM 851 O HIS A 115 3.190 -0.036 1.992 1.00 0.00 O ATOM 852 CB HIS A 115 1.228 -2.499 1.612 1.00 0.00 C ATOM 853 CG HIS A 115 1.357 -3.823 0.920 1.00 0.00 C ATOM 854 ND1 HIS A 115 0.303 -4.702 0.844 1.00 0.00 N ATOM 855 CD2 HIS A 115 2.429 -4.361 0.288 1.00 0.00 C ATOM 856 CE1 HIS A 115 0.752 -5.747 0.171 1.00 0.00 C ATOM 857 NE2 HIS A 115 2.036 -5.587 -0.187 1.00 0.00 N ATOM 0 H HIS A 115 1.231 -3.335 3.940 1.00 0.00 H new ATOM 0 HA HIS A 115 3.304 -2.588 2.165 1.00 0.00 H new ATOM 0 HB2 HIS A 115 0.282 -2.471 2.154 1.00 0.00 H new ATOM 0 HB3 HIS A 115 1.190 -1.708 0.863 1.00 0.00 H new ATOM 0 HD2 HIS A 115 3.405 -3.911 0.179 1.00 0.00 H new ATOM 0 HE1 HIS A 115 0.160 -6.620 -0.062 1.00 0.00 H new ATOM 0 HE2 HIS A 115 2.609 -6.249 -0.711 1.00 0.00 H new ATOM 865 N LYS A 116 1.938 -0.171 3.853 1.00 0.00 N ATOM 866 CA LYS A 116 2.042 1.258 4.131 1.00 0.00 C ATOM 867 C LYS A 116 3.473 1.629 4.496 1.00 0.00 C ATOM 868 O LYS A 116 4.070 2.518 3.891 1.00 0.00 O ATOM 869 CB LYS A 116 1.111 1.664 5.277 1.00 0.00 C ATOM 870 CG LYS A 116 1.126 3.160 5.561 1.00 0.00 C ATOM 871 CD LYS A 116 0.621 3.477 6.962 1.00 0.00 C ATOM 872 CE LYS A 116 1.700 3.262 8.012 1.00 0.00 C ATOM 873 NZ LYS A 116 2.891 4.127 7.776 1.00 0.00 N ATOM 0 H LYS A 116 1.385 -0.698 4.529 1.00 0.00 H new ATOM 0 HA LYS A 116 1.747 1.791 3.227 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.093 1.357 5.036 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.401 1.126 6.180 1.00 0.00 H new ATOM 0 HG2 LYS A 116 2.141 3.541 5.446 1.00 0.00 H new ATOM 0 HG3 LYS A 116 0.507 3.675 4.827 1.00 0.00 H new ATOM 0 HD2 LYS A 116 0.278 4.511 7.000 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -0.239 2.847 7.190 1.00 0.00 H new ATOM 0 HE2 LYS A 116 1.291 3.471 9.000 1.00 0.00 H new ATOM 0 HE3 LYS A 116 2.006 2.216 8.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 3.439 4.212 8.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 3.487 3.703 7.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 2.579 5.071 7.470 1.00 0.00 H new ATOM 887 N ASN A 117 4.017 0.928 5.482 1.00 0.00 N ATOM 888 CA ASN A 117 5.376 1.176 5.947 1.00 0.00 C ATOM 889 C ASN A 117 6.398 0.773 4.890 1.00 0.00 C ATOM 890 O ASN A 117 7.501 1.317 4.836 1.00 0.00 O ATOM 891 CB ASN A 117 5.623 0.400 7.244 1.00 0.00 C ATOM 892 CG ASN A 117 6.675 1.046 8.122 1.00 0.00 C ATOM 893 OD1 ASN A 117 7.835 0.634 8.129 1.00 0.00 O ATOM 894 ND2 ASN A 117 6.273 2.068 8.869 1.00 0.00 N ATOM 0 H ASN A 117 3.535 0.179 5.978 1.00 0.00 H new ATOM 0 HA ASN A 117 5.490 2.244 6.135 1.00 0.00 H new ATOM 0 HB2 ASN A 117 4.689 0.324 7.800 1.00 0.00 H new ATOM 0 HB3 ASN A 117 5.933 -0.616 7.001 1.00 0.00 H new ATOM 0 HD21 ASN A 117 6.936 2.545 9.480 1.00 0.00 H new ATOM 0 HD22 ASN A 117 5.301 2.376 8.831 1.00 0.00 H new ATOM 901 N LEU A 118 6.019 -0.179 4.046 1.00 0.00 N ATOM 902 CA LEU A 118 6.900 -0.672 2.994 1.00 0.00 C ATOM 903 C LEU A 118 7.012 0.321 1.836 1.00 0.00 C ATOM 904 O LEU A 118 8.110 0.617 1.369 1.00 0.00 O ATOM 905 CB LEU A 118 6.379 -2.018 2.477 1.00 0.00 C ATOM 906 CG LEU A 118 7.344 -2.809 1.591 1.00 0.00 C ATOM 907 CD1 LEU A 118 6.908 -4.263 1.501 1.00 0.00 C ATOM 908 CD2 LEU A 118 7.425 -2.194 0.200 1.00 0.00 C ATOM 0 H LEU A 118 5.103 -0.627 4.070 1.00 0.00 H new ATOM 0 HA LEU A 118 7.895 -0.797 3.420 1.00 0.00 H new ATOM 0 HB2 LEU A 118 6.112 -2.636 3.334 1.00 0.00 H new ATOM 0 HB3 LEU A 118 5.462 -1.840 1.915 1.00 0.00 H new ATOM 0 HG LEU A 118 8.335 -2.768 2.042 1.00 0.00 H new ATOM 0 HD11 LEU A 118 7.604 -4.813 0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 118 6.900 -4.703 2.498 1.00 0.00 H new ATOM 0 HD13 LEU A 118 5.907 -4.317 1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 118 8.116 -2.772 -0.414 1.00 0.00 H new ATOM 0 HD22 LEU A 118 6.437 -2.203 -0.260 1.00 0.00 H new ATOM 0 HD23 LEU A 118 7.780 -1.166 0.277 1.00 0.00 H new ATOM 920 N ILE A 119 5.876 0.841 1.391 1.00 0.00 N ATOM 921 CA ILE A 119 5.847 1.770 0.264 1.00 0.00 C ATOM 922 C ILE A 119 6.196 3.205 0.662 1.00 0.00 C ATOM 923 O ILE A 119 6.980 3.868 -0.016 1.00 0.00 O ATOM 924 CB ILE A 119 4.464 1.758 -0.413 1.00 0.00 C ATOM 925 CG1 ILE A 119 4.097 0.333 -0.827 1.00 0.00 C ATOM 926 CG2 ILE A 119 4.449 2.688 -1.618 1.00 0.00 C ATOM 927 CD1 ILE A 119 2.699 0.205 -1.389 1.00 0.00 C ATOM 0 H ILE A 119 4.961 0.637 1.792 1.00 0.00 H new ATOM 0 HA ILE A 119 6.611 1.424 -0.432 1.00 0.00 H new ATOM 0 HB ILE A 119 3.722 2.117 0.300 1.00 0.00 H new ATOM 0 HG12 ILE A 119 4.812 -0.015 -1.572 1.00 0.00 H new ATOM 0 HG13 ILE A 119 4.193 -0.323 0.038 1.00 0.00 H new ATOM 0 HG21 ILE A 119 3.463 2.666 -2.083 1.00 0.00 H new ATOM 0 HG22 ILE A 119 4.675 3.704 -1.296 1.00 0.00 H new ATOM 0 HG23 ILE A 119 5.198 2.361 -2.339 1.00 0.00 H new ATOM 0 HD11 ILE A 119 2.510 -0.833 -1.661 1.00 0.00 H new ATOM 0 HD12 ILE A 119 1.975 0.522 -0.638 1.00 0.00 H new ATOM 0 HD13 ILE A 119 2.603 0.835 -2.274 1.00 0.00 H new ATOM 939 N GLN A 120 5.614 3.681 1.754 1.00 0.00 N ATOM 940 CA GLN A 120 5.852 5.049 2.211 1.00 0.00 C ATOM 941 C GLN A 120 7.323 5.334 2.502 1.00 0.00 C ATOM 942 O GLN A 120 7.810 6.430 2.220 1.00 0.00 O ATOM 943 CB GLN A 120 5.053 5.346 3.482 1.00 0.00 C ATOM 944 CG GLN A 120 3.629 5.814 3.231 1.00 0.00 C ATOM 945 CD GLN A 120 2.848 6.072 4.514 1.00 0.00 C ATOM 946 OE1 GLN A 120 1.626 5.936 4.541 1.00 0.00 O ATOM 947 NE2 GLN A 120 3.541 6.454 5.587 1.00 0.00 N ATOM 0 H GLN A 120 4.975 3.144 2.341 1.00 0.00 H new ATOM 0 HA GLN A 120 5.529 5.691 1.391 1.00 0.00 H new ATOM 0 HB2 GLN A 120 5.024 4.447 4.097 1.00 0.00 H new ATOM 0 HB3 GLN A 120 5.578 6.109 4.057 1.00 0.00 H new ATOM 0 HG2 GLN A 120 3.653 6.728 2.638 1.00 0.00 H new ATOM 0 HG3 GLN A 120 3.105 5.063 2.639 1.00 0.00 H new ATOM 0 HE21 GLN A 120 4.554 6.557 5.530 1.00 0.00 H new ATOM 0 HE22 GLN A 120 3.058 6.643 6.465 1.00 0.00 H new ATOM 956 N SER A 121 8.035 4.356 3.056 1.00 0.00 N ATOM 957 CA SER A 121 9.428 4.574 3.439 1.00 0.00 C ATOM 958 C SER A 121 10.449 3.867 2.543 1.00 0.00 C ATOM 959 O SER A 121 11.211 3.021 3.009 1.00 0.00 O ATOM 960 CB SER A 121 9.636 4.145 4.889 1.00 0.00 C ATOM 961 OG SER A 121 10.887 4.595 5.379 1.00 0.00 O ATOM 0 H SER A 121 7.679 3.420 3.248 1.00 0.00 H new ATOM 0 HA SER A 121 9.608 5.642 3.316 1.00 0.00 H new ATOM 0 HB2 SER A 121 8.834 4.545 5.509 1.00 0.00 H new ATOM 0 HB3 SER A 121 9.583 3.059 4.961 1.00 0.00 H new ATOM 0 HG SER A 121 10.996 4.309 6.310 1.00 0.00 H new ATOM 967 N VAL A 122 10.474 4.229 1.269 1.00 0.00 N ATOM 968 CA VAL A 122 11.438 3.658 0.322 1.00 0.00 C ATOM 969 C VAL A 122 11.857 4.697 -0.722 1.00 0.00 C ATOM 970 O VAL A 122 12.994 4.689 -1.195 1.00 0.00 O ATOM 971 CB VAL A 122 10.903 2.388 -0.372 1.00 0.00 C ATOM 972 CG1 VAL A 122 11.910 1.868 -1.392 1.00 0.00 C ATOM 973 CG2 VAL A 122 10.594 1.315 0.662 1.00 0.00 C ATOM 0 H VAL A 122 9.840 4.916 0.861 1.00 0.00 H new ATOM 0 HA VAL A 122 12.312 3.365 0.904 1.00 0.00 H new ATOM 0 HB VAL A 122 9.983 2.643 -0.898 1.00 0.00 H new ATOM 0 HG11 VAL A 122 11.514 0.972 -1.870 1.00 0.00 H new ATOM 0 HG12 VAL A 122 12.091 2.633 -2.147 1.00 0.00 H new ATOM 0 HG13 VAL A 122 12.846 1.627 -0.889 1.00 0.00 H new ATOM 0 HG21 VAL A 122 10.217 0.424 0.160 1.00 0.00 H new ATOM 0 HG22 VAL A 122 11.502 1.066 1.210 1.00 0.00 H new ATOM 0 HG23 VAL A 122 9.841 1.686 1.357 1.00 0.00 H new ATOM 983 N ARG A 123 10.927 5.579 -1.090 1.00 0.00 N ATOM 984 CA ARG A 123 11.206 6.649 -2.038 1.00 0.00 C ATOM 985 C ARG A 123 11.513 7.940 -1.278 1.00 0.00 C ATOM 986 O ARG A 123 11.290 9.040 -1.783 1.00 0.00 O ATOM 987 CB ARG A 123 9.997 6.878 -2.947 1.00 0.00 C ATOM 988 CG ARG A 123 9.629 5.683 -3.817 1.00 0.00 C ATOM 989 CD ARG A 123 10.590 5.504 -4.988 1.00 0.00 C ATOM 990 NE ARG A 123 11.200 6.763 -5.411 1.00 0.00 N ATOM 991 CZ ARG A 123 10.614 7.640 -6.222 1.00 0.00 C ATOM 992 NH1 ARG A 123 9.402 7.400 -6.704 1.00 0.00 N ATOM 993 NH2 ARG A 123 11.242 8.761 -6.549 1.00 0.00 N ATOM 0 H ARG A 123 9.969 5.570 -0.741 1.00 0.00 H new ATOM 0 HA ARG A 123 12.064 6.364 -2.646 1.00 0.00 H new ATOM 0 HB2 ARG A 123 9.138 7.141 -2.330 1.00 0.00 H new ATOM 0 HB3 ARG A 123 10.199 7.733 -3.592 1.00 0.00 H new ATOM 0 HG2 ARG A 123 9.629 4.779 -3.208 1.00 0.00 H new ATOM 0 HG3 ARG A 123 8.616 5.811 -4.197 1.00 0.00 H new ATOM 0 HD2 ARG A 123 11.374 4.801 -4.706 1.00 0.00 H new ATOM 0 HD3 ARG A 123 10.054 5.063 -5.829 1.00 0.00 H new ATOM 0 HE ARG A 123 12.133 6.983 -5.063 1.00 0.00 H new ATOM 0 HH11 ARG A 123 8.915 6.540 -6.453 1.00 0.00 H new ATOM 0 HH12 ARG A 123 8.957 8.076 -7.325 1.00 0.00 H new ATOM 0 HH21 ARG A 123 12.173 8.950 -6.179 1.00 0.00 H new ATOM 0 HH22 ARG A 123 10.794 9.434 -7.171 1.00 0.00 H new ATOM 1007 N ASN A 124 12.038 7.790 -0.065 1.00 0.00 N ATOM 1008 CA ASN A 124 12.347 8.935 0.788 1.00 0.00 C ATOM 1009 C ASN A 124 13.797 8.915 1.275 1.00 0.00 C ATOM 1010 O ASN A 124 14.246 9.854 1.933 1.00 0.00 O ATOM 1011 CB ASN A 124 11.400 8.953 1.994 1.00 0.00 C ATOM 1012 CG ASN A 124 11.698 7.841 2.987 1.00 0.00 C ATOM 1013 OD1 ASN A 124 12.126 8.096 4.111 1.00 0.00 O ATOM 1014 ND2 ASN A 124 11.465 6.601 2.581 1.00 0.00 N ATOM 0 H ASN A 124 12.259 6.885 0.350 1.00 0.00 H new ATOM 0 HA ASN A 124 12.211 9.836 0.190 1.00 0.00 H new ATOM 0 HB2 ASN A 124 11.478 9.916 2.498 1.00 0.00 H new ATOM 0 HB3 ASN A 124 10.372 8.858 1.645 1.00 0.00 H new ATOM 0 HD21 ASN A 124 11.641 5.817 3.209 1.00 0.00 H new ATOM 0 HD22 ASN A 124 11.110 6.431 1.640 1.00 0.00 H new ATOM 1021 N ARG A 125 14.529 7.851 0.957 1.00 0.00 N ATOM 1022 CA ARG A 125 15.916 7.731 1.387 1.00 0.00 C ATOM 1023 C ARG A 125 16.868 7.684 0.197 1.00 0.00 C ATOM 1024 O ARG A 125 16.445 7.707 -0.960 1.00 0.00 O ATOM 1025 CB ARG A 125 16.099 6.474 2.245 1.00 0.00 C ATOM 1026 CG ARG A 125 15.677 6.659 3.694 1.00 0.00 C ATOM 1027 CD ARG A 125 14.664 5.609 4.129 1.00 0.00 C ATOM 1028 NE ARG A 125 15.290 4.325 4.436 1.00 0.00 N ATOM 1029 CZ ARG A 125 14.607 3.246 4.810 1.00 0.00 C ATOM 1030 NH1 ARG A 125 13.284 3.295 4.900 1.00 0.00 N ATOM 1031 NH2 ARG A 125 15.243 2.117 5.092 1.00 0.00 N ATOM 0 H ARG A 125 14.186 7.064 0.406 1.00 0.00 H new ATOM 0 HA ARG A 125 16.155 8.614 1.980 1.00 0.00 H new ATOM 0 HB2 ARG A 125 15.522 5.659 1.808 1.00 0.00 H new ATOM 0 HB3 ARG A 125 17.146 6.174 2.216 1.00 0.00 H new ATOM 0 HG2 ARG A 125 16.555 6.605 4.338 1.00 0.00 H new ATOM 0 HG3 ARG A 125 15.248 7.653 3.823 1.00 0.00 H new ATOM 0 HD2 ARG A 125 14.127 5.968 5.007 1.00 0.00 H new ATOM 0 HD3 ARG A 125 13.926 5.471 3.339 1.00 0.00 H new ATOM 0 HE ARG A 125 16.304 4.252 4.360 1.00 0.00 H new ATOM 0 HH11 ARG A 125 12.790 4.160 4.682 1.00 0.00 H new ATOM 0 HH12 ARG A 125 12.761 2.467 5.187 1.00 0.00 H new ATOM 0 HH21 ARG A 125 16.260 2.073 5.023 1.00 0.00 H new ATOM 0 HH22 ARG A 125 14.715 1.292 5.378 1.00 0.00 H new ATOM 1045 N ARG A 126 18.160 7.634 0.501 1.00 0.00 N ATOM 1046 CA ARG A 126 19.199 7.561 -0.518 1.00 0.00 C ATOM 1047 C ARG A 126 20.363 6.714 -0.019 1.00 0.00 C ATOM 1048 O ARG A 126 21.512 6.914 -0.416 1.00 0.00 O ATOM 1049 CB ARG A 126 19.689 8.956 -0.910 1.00 0.00 C ATOM 1050 CG ARG A 126 18.801 9.648 -1.930 1.00 0.00 C ATOM 1051 CD ARG A 126 19.586 10.640 -2.775 1.00 0.00 C ATOM 1052 NE ARG A 126 20.430 11.513 -1.957 1.00 0.00 N ATOM 1053 CZ ARG A 126 21.745 11.357 -1.785 1.00 0.00 C ATOM 1054 NH1 ARG A 126 22.394 10.333 -2.333 1.00 0.00 N ATOM 1055 NH2 ARG A 126 22.417 12.228 -1.045 1.00 0.00 N ATOM 0 H ARG A 126 18.515 7.643 1.457 1.00 0.00 H new ATOM 0 HA ARG A 126 18.772 7.093 -1.405 1.00 0.00 H new ATOM 0 HB2 ARG A 126 19.751 9.575 -0.015 1.00 0.00 H new ATOM 0 HB3 ARG A 126 20.699 8.877 -1.313 1.00 0.00 H new ATOM 0 HG2 ARG A 126 18.340 8.902 -2.578 1.00 0.00 H new ATOM 0 HG3 ARG A 126 17.992 10.167 -1.416 1.00 0.00 H new ATOM 0 HD2 ARG A 126 20.209 10.097 -3.486 1.00 0.00 H new ATOM 0 HD3 ARG A 126 18.893 11.248 -3.357 1.00 0.00 H new ATOM 0 HE ARG A 126 19.981 12.297 -1.484 1.00 0.00 H new ATOM 0 HH11 ARG A 126 21.887 9.650 -2.896 1.00 0.00 H new ATOM 0 HH12 ARG A 126 23.399 10.231 -2.190 1.00 0.00 H new ATOM 0 HH21 ARG A 126 21.929 13.012 -0.611 1.00 0.00 H new ATOM 0 HH22 ARG A 126 23.422 12.114 -0.910 1.00 0.00 H new ATOM 1069 N LYS A 127 20.049 5.769 0.864 1.00 0.00 N ATOM 1070 CA LYS A 127 21.042 4.865 1.429 1.00 0.00 C ATOM 1071 C LYS A 127 22.072 5.604 2.277 1.00 0.00 C ATOM 1072 O LYS A 127 23.278 5.415 2.111 1.00 0.00 O ATOM 1073 CB LYS A 127 21.740 4.077 0.321 1.00 0.00 C ATOM 1074 CG LYS A 127 21.998 2.624 0.691 1.00 0.00 C ATOM 1075 CD LYS A 127 22.299 1.778 -0.535 1.00 0.00 C ATOM 1076 CE LYS A 127 23.760 1.874 -0.940 1.00 0.00 C ATOM 1077 NZ LYS A 127 24.652 1.182 0.032 1.00 0.00 N ATOM 0 H LYS A 127 19.101 5.610 1.206 1.00 0.00 H new ATOM 0 HA LYS A 127 20.513 4.172 2.083 1.00 0.00 H new ATOM 0 HB2 LYS A 127 21.130 4.113 -0.581 1.00 0.00 H new ATOM 0 HB3 LYS A 127 22.688 4.559 0.083 1.00 0.00 H new ATOM 0 HG2 LYS A 127 22.836 2.569 1.386 1.00 0.00 H new ATOM 0 HG3 LYS A 127 21.128 2.220 1.208 1.00 0.00 H new ATOM 0 HD2 LYS A 127 22.046 0.738 -0.330 1.00 0.00 H new ATOM 0 HD3 LYS A 127 21.670 2.102 -1.364 1.00 0.00 H new ATOM 0 HE2 LYS A 127 23.892 1.436 -1.929 1.00 0.00 H new ATOM 0 HE3 LYS A 127 24.048 2.923 -1.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 25.575 1.001 -0.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 24.783 1.782 0.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 24.222 0.279 0.316 1.00 0.00 H new ATOM 1091 N ARG A 128 21.594 6.443 3.187 1.00 0.00 N ATOM 1092 CA ARG A 128 22.478 7.179 4.080 1.00 0.00 C ATOM 1093 C ARG A 128 23.358 6.200 4.851 1.00 0.00 C ATOM 1094 O ARG A 128 24.486 6.519 5.222 1.00 0.00 O ATOM 1095 CB ARG A 128 21.652 8.027 5.054 1.00 0.00 C ATOM 1096 CG ARG A 128 22.453 8.631 6.202 1.00 0.00 C ATOM 1097 CD ARG A 128 21.666 8.589 7.503 1.00 0.00 C ATOM 1098 NE ARG A 128 20.517 9.492 7.477 1.00 0.00 N ATOM 1099 CZ ARG A 128 20.541 10.749 7.919 1.00 0.00 C ATOM 1100 NH1 ARG A 128 21.659 11.276 8.408 1.00 0.00 N ATOM 1101 NH2 ARG A 128 19.443 11.488 7.863 1.00 0.00 N ATOM 0 H ARG A 128 20.601 6.630 3.326 1.00 0.00 H new ATOM 0 HA ARG A 128 23.113 7.842 3.492 1.00 0.00 H new ATOM 0 HB2 ARG A 128 21.173 8.833 4.498 1.00 0.00 H new ATOM 0 HB3 ARG A 128 20.856 7.409 5.469 1.00 0.00 H new ATOM 0 HG2 ARG A 128 23.389 8.086 6.322 1.00 0.00 H new ATOM 0 HG3 ARG A 128 22.713 9.662 5.964 1.00 0.00 H new ATOM 0 HD2 ARG A 128 21.323 7.571 7.686 1.00 0.00 H new ATOM 0 HD3 ARG A 128 22.321 8.859 8.332 1.00 0.00 H new ATOM 0 HE ARG A 128 19.640 9.137 7.096 1.00 0.00 H new ATOM 0 HH11 ARG A 128 22.511 10.717 8.448 1.00 0.00 H new ATOM 0 HH12 ARG A 128 21.665 12.239 8.743 1.00 0.00 H new ATOM 0 HH21 ARG A 128 18.582 11.095 7.482 1.00 0.00 H new ATOM 0 HH22 ARG A 128 19.458 12.450 8.201 1.00 0.00 H new ATOM 1115 N LYS A 129 22.826 5.002 5.083 1.00 0.00 N ATOM 1116 CA LYS A 129 23.544 3.968 5.820 1.00 0.00 C ATOM 1117 C LYS A 129 23.816 4.418 7.249 1.00 0.00 C ATOM 1118 O LYS A 129 23.044 4.122 8.162 1.00 0.00 O ATOM 1119 CB LYS A 129 24.861 3.614 5.125 1.00 0.00 C ATOM 1120 CG LYS A 129 24.748 2.449 4.158 1.00 0.00 C ATOM 1121 CD LYS A 129 25.931 1.500 4.291 1.00 0.00 C ATOM 1122 CE LYS A 129 25.914 0.773 5.627 1.00 0.00 C ATOM 1123 NZ LYS A 129 24.602 0.117 5.886 1.00 0.00 N ATOM 0 H LYS A 129 21.896 4.724 4.769 1.00 0.00 H new ATOM 0 HA LYS A 129 22.915 3.078 5.844 1.00 0.00 H new ATOM 0 HB2 LYS A 129 25.223 4.489 4.585 1.00 0.00 H new ATOM 0 HB3 LYS A 129 25.608 3.375 5.882 1.00 0.00 H new ATOM 0 HG2 LYS A 129 23.821 1.907 4.346 1.00 0.00 H new ATOM 0 HG3 LYS A 129 24.695 2.826 3.137 1.00 0.00 H new ATOM 0 HD2 LYS A 129 25.909 0.773 3.479 1.00 0.00 H new ATOM 0 HD3 LYS A 129 26.861 2.060 4.192 1.00 0.00 H new ATOM 0 HE2 LYS A 129 26.704 0.022 5.642 1.00 0.00 H new ATOM 0 HE3 LYS A 129 26.131 1.480 6.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 24.711 -0.591 6.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 23.908 0.833 6.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 24.270 -0.350 5.018 1.00 0.00 H new ATOM 1137 N GLY A 130 24.914 5.142 7.437 1.00 0.00 N ATOM 1138 CA GLY A 130 25.269 5.624 8.755 1.00 0.00 C ATOM 1139 C GLY A 130 25.610 7.097 8.743 1.00 0.00 C ATOM 1140 O GLY A 130 24.928 7.904 9.373 1.00 0.00 O ATOM 0 H GLY A 130 25.565 5.403 6.696 1.00 0.00 H new ATOM 0 HA2 GLY A 130 24.440 5.449 9.441 1.00 0.00 H new ATOM 0 HA3 GLY A 130 26.120 5.057 9.132 1.00 0.00 H new ATOM 1144 N SER A 131 26.668 7.451 8.017 1.00 0.00 N ATOM 1145 CA SER A 131 27.103 8.842 7.918 1.00 0.00 C ATOM 1146 C SER A 131 27.102 9.522 9.284 1.00 0.00 C ATOM 1147 O SER A 131 26.078 10.147 9.631 1.00 0.00 O ATOM 1148 CB SER A 131 26.202 9.613 6.950 1.00 0.00 C ATOM 1149 OG SER A 131 26.471 9.255 5.605 1.00 0.00 O ATOM 1150 OXT SER A 131 28.123 9.419 9.996 1.00 0.00 O ATOM 0 H SER A 131 27.240 6.793 7.488 1.00 0.00 H new ATOM 0 HA SER A 131 28.124 8.845 7.537 1.00 0.00 H new ATOM 0 HB2 SER A 131 25.157 9.409 7.181 1.00 0.00 H new ATOM 0 HB3 SER A 131 26.355 10.684 7.082 1.00 0.00 H new ATOM 0 HG SER A 131 25.881 9.760 5.008 1.00 0.00 H new TER 1156 SER A 131 HETATM 1157 ZN ZN A 1 -1.095 -5.562 1.944 1.00 0.00 ZN