USER MOD reduce.3.24.130724 H: found=0, std=0, add=856, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 854 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 Set 1.1: A 95 SER OG : rot 180:sc= 0.365 USER MOD Set 1.2: A 99 GLN : amide:sc= 0.35 X(o=0.71,f=0.73) USER MOD Set 2.1: A 37 ASN : amide:sc= 0.849 K(o=-1.4,f=-3.4) USER MOD Set 2.2: A 77 HIS : no HD1:sc= -0.72 K(o=-1.4,f=-9.6!) USER MOD Set 2.3: A 81 HIS : no HE2:sc= 1.87 K(o=-1.4,f=-14!) USER MOD Set 2.4: A 100 HIS : no HE2:sc= -3.42 K(o=-1.4,f=-15!) USER MOD Set 3.1: A 13 GLN : amide:sc= 0.311 K(o=0.64,f=0) USER MOD Set 3.2: A 46 GLN : amide:sc= 0.325 K(o=0.64,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 167:sc= 1.28 (180deg=1.06) USER MOD Single : A 12 GLN : amide:sc= -0.308 K(o=-0.31,f=-1) USER MOD Single : A 16 LYS NZ :NH3+ -168:sc=-0.00355 (180deg=-0.115) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -162:sc= -0.0361 (180deg=-0.304) USER MOD Single : A 24 LYS NZ :NH3+ 144:sc= 1.2 (180deg=0.248) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.103 K(o=-0.1,f=-1.3) USER MOD Single : A 42 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0557) USER MOD Single : A 45 LYS NZ :NH3+ -170:sc= -2.32! (180deg=-2.73!) USER MOD Single : A 49 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0115) USER MOD Single : A 51 TYR OH : rot -130:sc= 0.236 USER MOD Single : A 52 LYS NZ :NH3+ 158:sc= 1.22 (180deg=0.945) USER MOD Single : A 57 LYS NZ :NH3+ -166:sc= -0.0242 (180deg=-0.222) USER MOD Single : A 60 ASN : amide:sc= 0.106 K(o=0.11,f=-8.8!) USER MOD Single : A 63 LYS NZ :NH3+ -130:sc= -0.0209 (180deg=-0.389) USER MOD Single : A 65 GLN : amide:sc= 0.00479 X(o=0.0048,f=-0.23) USER MOD Single : A 69 LYS NZ :NH3+ -166:sc= 2.42 (180deg=1.87) USER MOD Single : A 76 LYS NZ :NH3+ -131:sc= -2.64! (180deg=-2.98!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -1.61! C(o=-1.6!,f=-6.7!) USER MOD Single : A 98 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 102 GLN : amide:sc= -0.0943 X(o=-0.094,f=-0.03) USER MOD Single : A 105 GLN : amide:sc= -2.83! C(o=-2.8!,f=-6.6!) USER MOD Single : A 107 HIS : no HE2:sc= -0.563 K(o=-0.41,f=-7.9!) USER MOD ----------------------------------------------------------------- ATOM 90 N GLU A 6 -9.515 3.310 10.132 1.00 0.00 N ATOM 91 CA GLU A 6 -9.848 2.438 9.010 1.00 0.00 C ATOM 92 C GLU A 6 -8.998 2.773 7.788 1.00 0.00 C ATOM 93 O GLU A 6 -8.603 1.883 7.033 1.00 0.00 O ATOM 94 CB GLU A 6 -11.335 2.543 8.669 1.00 0.00 C ATOM 95 CG GLU A 6 -12.241 1.895 9.701 1.00 0.00 C ATOM 96 CD GLU A 6 -11.971 0.413 9.851 1.00 0.00 C ATOM 97 OE1 GLU A 6 -12.401 -0.363 8.973 1.00 0.00 O ATOM 98 OE2 GLU A 6 -11.325 0.017 10.840 1.00 0.00 O ATOM 0 HA GLU A 6 -9.631 1.412 9.306 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -11.604 3.595 8.571 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -11.511 2.077 7.699 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -12.102 2.387 10.664 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -13.282 2.045 9.414 1.00 0.00 H new ATOM 105 N LEU A 7 -8.716 4.057 7.608 1.00 0.00 N ATOM 106 CA LEU A 7 -7.868 4.518 6.518 1.00 0.00 C ATOM 107 C LEU A 7 -6.439 4.022 6.720 1.00 0.00 C ATOM 108 O LEU A 7 -5.827 3.456 5.811 1.00 0.00 O ATOM 109 CB LEU A 7 -7.888 6.047 6.451 1.00 0.00 C ATOM 110 CG LEU A 7 -7.130 6.664 5.276 1.00 0.00 C ATOM 111 CD1 LEU A 7 -7.772 6.263 3.957 1.00 0.00 C ATOM 112 CD2 LEU A 7 -7.081 8.179 5.406 1.00 0.00 C ATOM 0 H LEU A 7 -9.066 4.803 8.209 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.250 4.117 5.579 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.926 6.378 6.405 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.469 6.439 7.378 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.108 6.285 5.291 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.219 6.712 3.132 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.754 5.178 3.859 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.804 6.612 3.934 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.537 8.599 4.560 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.096 8.576 5.418 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.575 8.448 6.333 1.00 0.00 H new ATOM 124 N LEU A 8 -5.926 4.229 7.928 1.00 0.00 N ATOM 125 CA LEU A 8 -4.579 3.803 8.284 1.00 0.00 C ATOM 126 C LEU A 8 -4.458 2.288 8.193 1.00 0.00 C ATOM 127 O LEU A 8 -3.450 1.757 7.728 1.00 0.00 O ATOM 128 CB LEU A 8 -4.256 4.258 9.708 1.00 0.00 C ATOM 129 CG LEU A 8 -2.798 4.093 10.135 1.00 0.00 C ATOM 130 CD1 LEU A 8 -1.885 4.957 9.275 1.00 0.00 C ATOM 131 CD2 LEU A 8 -2.641 4.442 11.605 1.00 0.00 C ATOM 0 H LEU A 8 -6.429 4.694 8.683 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.873 4.254 7.586 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -4.529 5.309 9.806 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.885 3.699 10.401 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.509 3.052 9.993 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.851 4.825 9.595 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.982 4.661 8.230 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.167 6.004 9.383 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.598 4.321 11.898 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.946 5.476 11.768 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.266 3.780 12.205 1.00 0.00 H new ATOM 143 N LYS A 9 -5.509 1.605 8.630 1.00 0.00 N ATOM 144 CA LYS A 9 -5.562 0.145 8.616 1.00 0.00 C ATOM 145 C LYS A 9 -5.341 -0.397 7.210 1.00 0.00 C ATOM 146 O LYS A 9 -4.668 -1.413 7.028 1.00 0.00 O ATOM 147 CB LYS A 9 -6.914 -0.337 9.152 1.00 0.00 C ATOM 148 CG LYS A 9 -7.106 -1.846 9.093 1.00 0.00 C ATOM 149 CD LYS A 9 -8.495 -2.250 9.565 1.00 0.00 C ATOM 150 CE LYS A 9 -8.697 -1.950 11.040 1.00 0.00 C ATOM 151 NZ LYS A 9 -10.088 -2.242 11.478 1.00 0.00 N ATOM 0 H LYS A 9 -6.349 2.046 9.004 1.00 0.00 H new ATOM 0 HA LYS A 9 -4.764 -0.229 9.258 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.020 -0.009 10.186 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.710 0.142 8.582 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -6.952 -2.194 8.071 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.354 -2.334 9.713 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.247 -1.720 8.980 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.644 -3.315 9.387 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -7.998 -2.543 11.630 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.468 -0.902 11.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -10.133 -2.238 12.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.730 -1.516 11.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -10.375 -3.176 11.122 1.00 0.00 H new ATOM 165 N ALA A 10 -5.897 0.288 6.219 1.00 0.00 N ATOM 166 CA ALA A 10 -5.747 -0.123 4.831 1.00 0.00 C ATOM 167 C ALA A 10 -4.285 -0.063 4.409 1.00 0.00 C ATOM 168 O ALA A 10 -3.778 -0.974 3.754 1.00 0.00 O ATOM 169 CB ALA A 10 -6.599 0.749 3.924 1.00 0.00 C ATOM 0 H ALA A 10 -6.456 1.131 6.352 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.088 -1.154 4.739 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.475 0.428 2.890 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.647 0.656 4.210 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.287 1.789 4.021 1.00 0.00 H new ATOM 175 N GLU A 11 -3.610 1.006 4.812 1.00 0.00 N ATOM 176 CA GLU A 11 -2.204 1.196 4.484 1.00 0.00 C ATOM 177 C GLU A 11 -1.335 0.197 5.257 1.00 0.00 C ATOM 178 O GLU A 11 -0.444 -0.438 4.693 1.00 0.00 O ATOM 179 CB GLU A 11 -1.784 2.632 4.814 1.00 0.00 C ATOM 180 CG GLU A 11 -0.417 3.018 4.273 1.00 0.00 C ATOM 181 CD GLU A 11 -0.362 3.008 2.760 1.00 0.00 C ATOM 182 OE1 GLU A 11 -0.216 1.950 2.160 1.00 0.00 O ATOM 183 OE2 GLU A 11 -0.432 4.074 2.126 1.00 0.00 O ATOM 0 H GLU A 11 -4.016 1.758 5.369 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.063 1.021 3.417 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.529 3.319 4.412 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.784 2.760 5.897 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.155 4.012 4.635 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.332 2.329 4.664 1.00 0.00 H new ATOM 190 N GLN A 12 -1.616 0.056 6.551 1.00 0.00 N ATOM 191 CA GLN A 12 -0.882 -0.874 7.410 1.00 0.00 C ATOM 192 C GLN A 12 -1.004 -2.305 6.904 1.00 0.00 C ATOM 193 O GLN A 12 -0.060 -3.090 7.000 1.00 0.00 O ATOM 194 CB GLN A 12 -1.398 -0.807 8.846 1.00 0.00 C ATOM 195 CG GLN A 12 -1.141 0.518 9.540 1.00 0.00 C ATOM 196 CD GLN A 12 -1.730 0.554 10.933 1.00 0.00 C ATOM 197 OE1 GLN A 12 -2.876 0.954 11.127 1.00 0.00 O ATOM 198 NE2 GLN A 12 -0.953 0.130 11.920 1.00 0.00 N ATOM 0 H GLN A 12 -2.351 0.577 7.031 1.00 0.00 H new ATOM 0 HA GLN A 12 0.167 -0.577 7.386 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -2.471 -1.001 8.844 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.931 -1.604 9.425 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.067 0.695 9.596 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -1.567 1.327 8.946 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.007 -0.195 11.721 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.301 0.129 12.879 1.00 0.00 H new ATOM 207 N GLN A 13 -2.174 -2.633 6.362 1.00 0.00 N ATOM 208 CA GLN A 13 -2.448 -3.974 5.868 1.00 0.00 C ATOM 209 C GLN A 13 -1.488 -4.341 4.749 1.00 0.00 C ATOM 210 O GLN A 13 -0.939 -5.444 4.724 1.00 0.00 O ATOM 211 CB GLN A 13 -3.886 -4.065 5.360 1.00 0.00 C ATOM 212 CG GLN A 13 -4.304 -5.466 4.953 1.00 0.00 C ATOM 213 CD GLN A 13 -5.693 -5.504 4.355 1.00 0.00 C ATOM 214 OE1 GLN A 13 -6.686 -5.657 5.063 1.00 0.00 O ATOM 215 NE2 GLN A 13 -5.770 -5.363 3.042 1.00 0.00 N ATOM 0 H GLN A 13 -2.951 -1.981 6.255 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.311 -4.675 6.692 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -4.560 -3.706 6.138 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -4.003 -3.398 4.505 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.590 -5.859 4.230 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -4.269 -6.120 5.824 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.920 -5.238 2.492 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.679 -5.379 2.580 1.00 0.00 H new ATOM 224 N GLY A 14 -1.277 -3.404 3.840 1.00 0.00 N ATOM 225 CA GLY A 14 -0.380 -3.642 2.727 1.00 0.00 C ATOM 226 C GLY A 14 1.055 -3.782 3.179 1.00 0.00 C ATOM 227 O GLY A 14 1.761 -4.679 2.727 1.00 0.00 O ATOM 0 H GLY A 14 -1.711 -2.481 3.852 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.685 -4.547 2.202 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.458 -2.820 2.016 1.00 0.00 H new ATOM 231 N ILE A 15 1.477 -2.910 4.092 1.00 0.00 N ATOM 232 CA ILE A 15 2.826 -2.970 4.648 1.00 0.00 C ATOM 233 C ILE A 15 3.062 -4.322 5.317 1.00 0.00 C ATOM 234 O ILE A 15 4.108 -4.949 5.134 1.00 0.00 O ATOM 235 CB ILE A 15 3.058 -1.844 5.682 1.00 0.00 C ATOM 236 CG1 ILE A 15 2.846 -0.473 5.034 1.00 0.00 C ATOM 237 CG2 ILE A 15 4.455 -1.941 6.282 1.00 0.00 C ATOM 238 CD1 ILE A 15 2.974 0.683 6.002 1.00 0.00 C ATOM 0 H ILE A 15 0.903 -2.153 4.463 1.00 0.00 H new ATOM 0 HA ILE A 15 3.528 -2.838 3.825 1.00 0.00 H new ATOM 0 HB ILE A 15 2.333 -1.963 6.487 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.571 -0.345 4.230 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.856 -0.446 4.578 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.596 -1.139 7.007 1.00 0.00 H new ATOM 0 HG22 ILE A 15 4.571 -2.904 6.779 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.198 -1.849 5.490 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.811 1.621 5.472 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.231 0.579 6.793 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.972 0.682 6.440 1.00 0.00 H new ATOM 250 N LYS A 16 2.068 -4.763 6.075 1.00 0.00 N ATOM 251 CA LYS A 16 2.110 -6.057 6.751 1.00 0.00 C ATOM 252 C LYS A 16 2.299 -7.181 5.738 1.00 0.00 C ATOM 253 O LYS A 16 3.131 -8.073 5.918 1.00 0.00 O ATOM 254 CB LYS A 16 0.807 -6.258 7.522 1.00 0.00 C ATOM 255 CG LYS A 16 0.765 -7.508 8.383 1.00 0.00 C ATOM 256 CD LYS A 16 -0.437 -7.487 9.312 1.00 0.00 C ATOM 257 CE LYS A 16 -0.615 -8.811 10.033 1.00 0.00 C ATOM 258 NZ LYS A 16 -1.071 -9.884 9.110 1.00 0.00 N ATOM 0 H LYS A 16 1.210 -4.237 6.240 1.00 0.00 H new ATOM 0 HA LYS A 16 2.952 -6.076 7.443 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.640 -5.389 8.159 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.018 -6.295 6.811 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.722 -8.392 7.746 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.681 -7.582 8.969 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.317 -6.688 10.044 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.336 -7.262 8.738 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.328 -9.104 10.494 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.340 -8.692 10.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.375 -10.711 9.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.868 -9.536 8.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.289 -10.157 8.481 1.00 0.00 H new ATOM 272 N ILE A 17 1.515 -7.119 4.676 1.00 0.00 N ATOM 273 CA ILE A 17 1.614 -8.076 3.577 1.00 0.00 C ATOM 274 C ILE A 17 2.982 -7.997 2.892 1.00 0.00 C ATOM 275 O ILE A 17 3.617 -9.020 2.654 1.00 0.00 O ATOM 276 CB ILE A 17 0.491 -7.844 2.537 1.00 0.00 C ATOM 277 CG1 ILE A 17 -0.876 -8.133 3.167 1.00 0.00 C ATOM 278 CG2 ILE A 17 0.706 -8.711 1.301 1.00 0.00 C ATOM 279 CD1 ILE A 17 -2.045 -7.873 2.242 1.00 0.00 C ATOM 0 H ILE A 17 0.794 -6.409 4.547 1.00 0.00 H new ATOM 0 HA ILE A 17 1.498 -9.072 4.003 1.00 0.00 H new ATOM 0 HB ILE A 17 0.520 -6.800 2.224 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.904 -9.174 3.488 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.990 -7.520 4.061 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.096 -8.530 0.585 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.664 -8.462 0.844 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.704 -9.762 1.589 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.977 -8.101 2.760 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -2.044 -6.826 1.940 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -1.957 -8.505 1.358 1.00 0.00 H new ATOM 291 N LEU A 18 3.434 -6.784 2.606 1.00 0.00 N ATOM 292 CA LEU A 18 4.710 -6.575 1.926 1.00 0.00 C ATOM 293 C LEU A 18 5.867 -7.188 2.709 1.00 0.00 C ATOM 294 O LEU A 18 6.705 -7.885 2.141 1.00 0.00 O ATOM 295 CB LEU A 18 4.958 -5.080 1.700 1.00 0.00 C ATOM 296 CG LEU A 18 3.992 -4.401 0.726 1.00 0.00 C ATOM 297 CD1 LEU A 18 4.233 -2.904 0.703 1.00 0.00 C ATOM 298 CD2 LEU A 18 4.137 -4.986 -0.670 1.00 0.00 C ATOM 0 H LEU A 18 2.935 -5.924 2.835 1.00 0.00 H new ATOM 0 HA LEU A 18 4.656 -7.076 0.959 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.900 -4.569 2.661 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.975 -4.948 1.330 1.00 0.00 H new ATOM 0 HG LEU A 18 2.973 -4.584 1.068 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.539 -2.434 0.006 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.077 -2.495 1.701 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.256 -2.705 0.385 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.441 -4.489 -1.347 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.157 -4.835 -1.023 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.917 -6.053 -0.642 1.00 0.00 H new ATOM 310 N LYS A 19 5.901 -6.946 4.009 1.00 0.00 N ATOM 311 CA LYS A 19 6.938 -7.493 4.850 1.00 0.00 C ATOM 312 C LYS A 19 6.854 -9.015 4.890 1.00 0.00 C ATOM 313 O LYS A 19 7.873 -9.707 4.958 1.00 0.00 O ATOM 314 CB LYS A 19 6.812 -6.919 6.253 1.00 0.00 C ATOM 315 CG LYS A 19 7.051 -5.420 6.322 1.00 0.00 C ATOM 316 CD LYS A 19 7.227 -4.950 7.756 1.00 0.00 C ATOM 317 CE LYS A 19 8.515 -5.493 8.359 1.00 0.00 C ATOM 318 NZ LYS A 19 8.704 -5.046 9.764 1.00 0.00 N ATOM 0 H LYS A 19 5.217 -6.371 4.501 1.00 0.00 H new ATOM 0 HA LYS A 19 7.908 -7.219 4.436 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.816 -7.137 6.638 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.524 -7.422 6.907 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.938 -5.165 5.743 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.211 -4.895 5.866 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.240 -3.860 7.785 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.376 -5.275 8.355 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.501 -6.582 8.324 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.363 -5.166 7.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.592 -5.438 10.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.744 -4.007 9.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.908 -5.380 10.344 1.00 0.00 H new ATOM 332 N GLU A 20 5.633 -9.526 4.837 1.00 0.00 N ATOM 333 CA GLU A 20 5.388 -10.952 4.818 1.00 0.00 C ATOM 334 C GLU A 20 5.920 -11.578 3.526 1.00 0.00 C ATOM 335 O GLU A 20 6.497 -12.666 3.540 1.00 0.00 O ATOM 336 CB GLU A 20 3.888 -11.187 4.971 1.00 0.00 C ATOM 337 CG GLU A 20 3.495 -11.814 6.300 1.00 0.00 C ATOM 338 CD GLU A 20 3.941 -13.255 6.440 1.00 0.00 C ATOM 339 OE1 GLU A 20 5.149 -13.500 6.647 1.00 0.00 O ATOM 340 OE2 GLU A 20 3.076 -14.155 6.366 1.00 0.00 O ATOM 0 H GLU A 20 4.786 -8.959 4.806 1.00 0.00 H new ATOM 0 HA GLU A 20 5.915 -11.430 5.644 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.368 -10.235 4.862 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.547 -11.832 4.161 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.926 -11.228 7.112 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.412 -11.764 6.411 1.00 0.00 H new ATOM 347 N VAL A 21 5.741 -10.874 2.413 1.00 0.00 N ATOM 348 CA VAL A 21 6.254 -11.330 1.125 1.00 0.00 C ATOM 349 C VAL A 21 7.781 -11.312 1.123 1.00 0.00 C ATOM 350 O VAL A 21 8.425 -12.236 0.623 1.00 0.00 O ATOM 351 CB VAL A 21 5.734 -10.458 -0.039 1.00 0.00 C ATOM 352 CG1 VAL A 21 6.208 -11.005 -1.375 1.00 0.00 C ATOM 353 CG2 VAL A 21 4.218 -10.373 -0.008 1.00 0.00 C ATOM 0 H VAL A 21 5.244 -9.984 2.377 1.00 0.00 H new ATOM 0 HA VAL A 21 5.896 -12.349 0.979 1.00 0.00 H new ATOM 0 HB VAL A 21 6.138 -9.453 0.083 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.830 -10.376 -2.181 1.00 0.00 H new ATOM 0 HG12 VAL A 21 7.298 -11.011 -1.400 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.837 -12.022 -1.504 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.871 -9.754 -0.836 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.796 -11.373 -0.101 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.898 -9.930 0.935 1.00 0.00 H new ATOM 363 N LEU A 22 8.349 -10.262 1.707 1.00 0.00 N ATOM 364 CA LEU A 22 9.797 -10.130 1.818 1.00 0.00 C ATOM 365 C LEU A 22 10.379 -11.288 2.622 1.00 0.00 C ATOM 366 O LEU A 22 11.479 -11.767 2.343 1.00 0.00 O ATOM 367 CB LEU A 22 10.155 -8.801 2.481 1.00 0.00 C ATOM 368 CG LEU A 22 11.646 -8.456 2.490 1.00 0.00 C ATOM 369 CD1 LEU A 22 12.177 -8.331 1.069 1.00 0.00 C ATOM 370 CD2 LEU A 22 11.888 -7.171 3.263 1.00 0.00 C ATOM 0 H LEU A 22 7.825 -9.486 2.113 1.00 0.00 H new ATOM 0 HA LEU A 22 10.224 -10.153 0.815 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.617 -8.002 1.970 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.797 -8.819 3.510 1.00 0.00 H new ATOM 0 HG LEU A 22 12.183 -9.265 2.986 1.00 0.00 H new ATOM 0 HD11 LEU A 22 13.239 -8.085 1.098 1.00 0.00 H new ATOM 0 HD12 LEU A 22 12.037 -9.276 0.544 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.636 -7.542 0.547 1.00 0.00 H new ATOM 0 HD21 LEU A 22 12.953 -6.940 3.260 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.338 -6.355 2.794 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.547 -7.295 4.291 1.00 0.00 H new ATOM 382 N LYS A 23 9.637 -11.720 3.628 1.00 0.00 N ATOM 383 CA LYS A 23 10.020 -12.867 4.442 1.00 0.00 C ATOM 384 C LYS A 23 9.964 -14.145 3.612 1.00 0.00 C ATOM 385 O LYS A 23 10.907 -14.937 3.590 1.00 0.00 O ATOM 386 CB LYS A 23 9.072 -12.982 5.629 1.00 0.00 C ATOM 387 CG LYS A 23 9.563 -13.912 6.726 1.00 0.00 C ATOM 388 CD LYS A 23 8.691 -13.818 7.967 1.00 0.00 C ATOM 389 CE LYS A 23 9.052 -14.879 8.995 1.00 0.00 C ATOM 390 NZ LYS A 23 8.774 -16.251 8.492 1.00 0.00 N ATOM 0 H LYS A 23 8.755 -11.289 3.905 1.00 0.00 H new ATOM 0 HA LYS A 23 11.040 -12.727 4.800 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.914 -11.990 6.052 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.104 -13.335 5.274 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.567 -14.939 6.360 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.592 -13.662 6.983 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.799 -12.829 8.413 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.644 -13.928 7.684 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.108 -14.793 9.251 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.486 -14.706 9.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.737 -16.913 9.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.862 -16.259 7.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.529 -16.541 7.838 1.00 0.00 H new ATOM 404 N LYS A 24 8.845 -14.319 2.922 1.00 0.00 N ATOM 405 CA LYS A 24 8.626 -15.476 2.043 1.00 0.00 C ATOM 406 C LYS A 24 9.684 -15.565 0.941 1.00 0.00 C ATOM 407 O LYS A 24 9.920 -16.639 0.383 1.00 0.00 O ATOM 408 CB LYS A 24 7.233 -15.427 1.408 1.00 0.00 C ATOM 409 CG LYS A 24 6.188 -16.272 2.127 1.00 0.00 C ATOM 410 CD LYS A 24 5.839 -15.719 3.496 1.00 0.00 C ATOM 411 CE LYS A 24 4.359 -15.374 3.597 1.00 0.00 C ATOM 412 NZ LYS A 24 3.483 -16.558 3.378 1.00 0.00 N ATOM 0 H LYS A 24 8.061 -13.668 2.951 1.00 0.00 H new ATOM 0 HA LYS A 24 8.707 -16.364 2.669 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.893 -14.392 1.384 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.306 -15.762 0.373 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.285 -16.324 1.518 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.560 -17.291 2.234 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.096 -16.451 4.262 1.00 0.00 H new ATOM 0 HD3 LYS A 24 6.436 -14.828 3.693 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.154 -14.951 4.580 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.117 -14.606 2.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.650 -16.493 3.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.176 -16.583 2.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.011 -17.426 3.599 1.00 0.00 H new ATOM 426 N ALA A 25 10.311 -14.437 0.626 1.00 0.00 N ATOM 427 CA ALA A 25 11.363 -14.401 -0.387 1.00 0.00 C ATOM 428 C ALA A 25 12.535 -15.306 -0.008 1.00 0.00 C ATOM 429 O ALA A 25 13.265 -15.784 -0.878 1.00 0.00 O ATOM 430 CB ALA A 25 11.845 -12.977 -0.603 1.00 0.00 C ATOM 0 H ALA A 25 10.110 -13.535 1.057 1.00 0.00 H new ATOM 0 HA ALA A 25 10.939 -14.775 -1.319 1.00 0.00 H new ATOM 0 HB1 ALA A 25 12.628 -12.969 -1.361 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.012 -12.357 -0.936 1.00 0.00 H new ATOM 0 HB3 ALA A 25 12.241 -12.581 0.332 1.00 0.00 H new ATOM 436 N LYS A 26 12.708 -15.538 1.292 1.00 0.00 N ATOM 437 CA LYS A 26 13.753 -16.432 1.781 1.00 0.00 C ATOM 438 C LYS A 26 13.447 -17.879 1.405 1.00 0.00 C ATOM 439 O LYS A 26 14.354 -18.691 1.215 1.00 0.00 O ATOM 440 CB LYS A 26 13.897 -16.306 3.300 1.00 0.00 C ATOM 441 CG LYS A 26 14.388 -14.942 3.757 1.00 0.00 C ATOM 442 CD LYS A 26 15.824 -14.683 3.321 1.00 0.00 C ATOM 443 CE LYS A 26 16.800 -15.637 4.000 1.00 0.00 C ATOM 444 NZ LYS A 26 18.207 -15.385 3.590 1.00 0.00 N ATOM 0 H LYS A 26 12.137 -15.118 2.025 1.00 0.00 H new ATOM 0 HA LYS A 26 14.693 -16.142 1.311 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.933 -16.510 3.765 1.00 0.00 H new ATOM 0 HB3 LYS A 26 14.590 -17.069 3.655 1.00 0.00 H new ATOM 0 HG2 LYS A 26 13.739 -14.167 3.350 1.00 0.00 H new ATOM 0 HG3 LYS A 26 14.320 -14.876 4.843 1.00 0.00 H new ATOM 0 HD2 LYS A 26 15.901 -14.792 2.239 1.00 0.00 H new ATOM 0 HD3 LYS A 26 16.096 -13.654 3.558 1.00 0.00 H new ATOM 0 HE2 LYS A 26 16.714 -15.533 5.082 1.00 0.00 H new ATOM 0 HE3 LYS A 26 16.530 -16.665 3.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 18.836 -16.056 4.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 18.296 -15.509 2.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 18.474 -14.413 3.846 1.00 0.00 H new ATOM 458 N GLU A 27 12.165 -18.197 1.299 1.00 0.00 N ATOM 459 CA GLU A 27 11.741 -19.527 0.897 1.00 0.00 C ATOM 460 C GLU A 27 11.910 -19.695 -0.606 1.00 0.00 C ATOM 461 O GLU A 27 12.545 -20.642 -1.069 1.00 0.00 O ATOM 462 CB GLU A 27 10.284 -19.761 1.288 1.00 0.00 C ATOM 463 CG GLU A 27 10.033 -19.677 2.784 1.00 0.00 C ATOM 464 CD GLU A 27 10.724 -20.785 3.553 1.00 0.00 C ATOM 465 OE1 GLU A 27 10.114 -21.864 3.720 1.00 0.00 O ATOM 466 OE2 GLU A 27 11.868 -20.581 4.005 1.00 0.00 O ATOM 0 H GLU A 27 11.400 -17.549 1.487 1.00 0.00 H new ATOM 0 HA GLU A 27 12.362 -20.261 1.409 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.658 -19.026 0.782 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.974 -20.743 0.931 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.380 -18.712 3.153 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.960 -19.723 2.972 1.00 0.00 H new ATOM 473 N GLY A 28 11.345 -18.759 -1.361 1.00 0.00 N ATOM 474 CA GLY A 28 11.492 -18.781 -2.803 1.00 0.00 C ATOM 475 C GLY A 28 10.564 -19.771 -3.477 1.00 0.00 C ATOM 476 O GLY A 28 11.000 -20.578 -4.299 1.00 0.00 O ATOM 0 H GLY A 28 10.788 -17.985 -0.999 1.00 0.00 H new ATOM 0 HA2 GLY A 28 11.299 -17.783 -3.198 1.00 0.00 H new ATOM 0 HA3 GLY A 28 12.523 -19.029 -3.054 1.00 0.00 H new ATOM 480 N ASP A 29 9.286 -19.714 -3.127 1.00 0.00 N ATOM 481 CA ASP A 29 8.283 -20.559 -3.761 1.00 0.00 C ATOM 482 C ASP A 29 7.428 -19.727 -4.708 1.00 0.00 C ATOM 483 O ASP A 29 6.912 -18.673 -4.330 1.00 0.00 O ATOM 484 CB ASP A 29 7.399 -21.239 -2.712 1.00 0.00 C ATOM 485 CG ASP A 29 6.349 -22.130 -3.344 1.00 0.00 C ATOM 486 OD1 ASP A 29 6.685 -23.270 -3.732 1.00 0.00 O ATOM 487 OD2 ASP A 29 5.189 -21.688 -3.468 1.00 0.00 O ATOM 0 H ASP A 29 8.919 -19.091 -2.407 1.00 0.00 H new ATOM 0 HA ASP A 29 8.795 -21.336 -4.329 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.022 -21.832 -2.043 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.910 -20.479 -2.103 1.00 0.00 H new ATOM 492 N GLU A 30 7.276 -20.206 -5.934 1.00 0.00 N ATOM 493 CA GLU A 30 6.612 -19.436 -6.977 1.00 0.00 C ATOM 494 C GLU A 30 5.101 -19.365 -6.764 1.00 0.00 C ATOM 495 O GLU A 30 4.469 -18.377 -7.130 1.00 0.00 O ATOM 496 CB GLU A 30 6.946 -20.012 -8.355 1.00 0.00 C ATOM 497 CG GLU A 30 8.405 -19.816 -8.743 1.00 0.00 C ATOM 498 CD GLU A 30 8.746 -20.393 -10.103 1.00 0.00 C ATOM 499 OE1 GLU A 30 8.103 -20.008 -11.101 1.00 0.00 O ATOM 500 OE2 GLU A 30 9.681 -21.220 -10.186 1.00 0.00 O ATOM 0 H GLU A 30 7.604 -21.125 -6.232 1.00 0.00 H new ATOM 0 HA GLU A 30 6.987 -18.414 -6.924 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.713 -21.077 -8.364 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.310 -19.540 -9.104 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.635 -18.750 -8.740 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.040 -20.281 -7.989 1.00 0.00 H new ATOM 507 N GLN A 31 4.521 -20.397 -6.162 1.00 0.00 N ATOM 508 CA GLN A 31 3.091 -20.388 -5.867 1.00 0.00 C ATOM 509 C GLN A 31 2.801 -19.408 -4.741 1.00 0.00 C ATOM 510 O GLN A 31 1.833 -18.646 -4.792 1.00 0.00 O ATOM 511 CB GLN A 31 2.596 -21.783 -5.474 1.00 0.00 C ATOM 512 CG GLN A 31 2.747 -22.823 -6.571 1.00 0.00 C ATOM 513 CD GLN A 31 2.069 -24.130 -6.213 1.00 0.00 C ATOM 514 OE1 GLN A 31 0.896 -24.336 -6.518 1.00 0.00 O ATOM 515 NE2 GLN A 31 2.797 -25.026 -5.565 1.00 0.00 N ATOM 0 H GLN A 31 5.012 -21.243 -5.871 1.00 0.00 H new ATOM 0 HA GLN A 31 2.563 -20.079 -6.769 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.144 -22.117 -4.593 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.545 -21.718 -5.191 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.322 -22.437 -7.498 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.806 -23.003 -6.756 1.00 0.00 H new ATOM 0 HE21 GLN A 31 3.768 -24.820 -5.329 1.00 0.00 H new ATOM 0 HE22 GLN A 31 2.387 -25.922 -5.302 1.00 0.00 H new ATOM 524 N GLU A 32 3.665 -19.429 -3.736 1.00 0.00 N ATOM 525 CA GLU A 32 3.557 -18.539 -2.591 1.00 0.00 C ATOM 526 C GLU A 32 3.622 -17.083 -3.045 1.00 0.00 C ATOM 527 O GLU A 32 2.767 -16.270 -2.693 1.00 0.00 O ATOM 528 CB GLU A 32 4.699 -18.838 -1.616 1.00 0.00 C ATOM 529 CG GLU A 32 4.635 -18.056 -0.315 1.00 0.00 C ATOM 530 CD GLU A 32 3.466 -18.456 0.558 1.00 0.00 C ATOM 531 OE1 GLU A 32 3.322 -19.660 0.851 1.00 0.00 O ATOM 532 OE2 GLU A 32 2.700 -17.561 0.976 1.00 0.00 O ATOM 0 H GLU A 32 4.461 -20.065 -3.692 1.00 0.00 H new ATOM 0 HA GLU A 32 2.600 -18.701 -2.094 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.694 -19.903 -1.386 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.647 -18.623 -2.109 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.562 -18.205 0.238 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.566 -16.992 -0.540 1.00 0.00 H new ATOM 539 N LEU A 33 4.624 -16.772 -3.857 1.00 0.00 N ATOM 540 CA LEU A 33 4.821 -15.414 -4.347 1.00 0.00 C ATOM 541 C LEU A 33 3.683 -14.988 -5.267 1.00 0.00 C ATOM 542 O LEU A 33 3.265 -13.831 -5.247 1.00 0.00 O ATOM 543 CB LEU A 33 6.160 -15.300 -5.081 1.00 0.00 C ATOM 544 CG LEU A 33 7.400 -15.558 -4.221 1.00 0.00 C ATOM 545 CD1 LEU A 33 8.664 -15.432 -5.058 1.00 0.00 C ATOM 546 CD2 LEU A 33 7.444 -14.601 -3.039 1.00 0.00 C ATOM 0 H LEU A 33 5.315 -17.444 -4.191 1.00 0.00 H new ATOM 0 HA LEU A 33 4.830 -14.747 -3.485 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.161 -16.005 -5.912 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.237 -14.301 -5.510 1.00 0.00 H new ATOM 0 HG LEU A 33 7.342 -16.575 -3.834 1.00 0.00 H new ATOM 0 HD11 LEU A 33 9.536 -15.618 -4.431 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.638 -16.160 -5.869 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.725 -14.427 -5.475 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.333 -14.802 -2.441 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.476 -13.574 -3.403 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.555 -14.741 -2.425 1.00 0.00 H new ATOM 558 N ALA A 34 3.186 -15.924 -6.069 1.00 0.00 N ATOM 559 CA ALA A 34 2.084 -15.642 -6.981 1.00 0.00 C ATOM 560 C ALA A 34 0.838 -15.218 -6.213 1.00 0.00 C ATOM 561 O ALA A 34 0.207 -14.210 -6.542 1.00 0.00 O ATOM 562 CB ALA A 34 1.784 -16.854 -7.847 1.00 0.00 C ATOM 0 H ALA A 34 3.529 -16.884 -6.106 1.00 0.00 H new ATOM 0 HA ALA A 34 2.384 -14.818 -7.628 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.959 -16.624 -8.521 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.668 -17.112 -8.430 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.510 -17.696 -7.212 1.00 0.00 H new ATOM 568 N ARG A 35 0.500 -15.989 -5.183 1.00 0.00 N ATOM 569 CA ARG A 35 -0.653 -15.682 -4.344 1.00 0.00 C ATOM 570 C ARG A 35 -0.481 -14.327 -3.676 1.00 0.00 C ATOM 571 O ARG A 35 -1.372 -13.479 -3.728 1.00 0.00 O ATOM 572 CB ARG A 35 -0.835 -16.748 -3.268 1.00 0.00 C ATOM 573 CG ARG A 35 -2.012 -16.475 -2.345 1.00 0.00 C ATOM 574 CD ARG A 35 -3.337 -16.669 -3.059 1.00 0.00 C ATOM 575 NE ARG A 35 -3.607 -18.079 -3.329 1.00 0.00 N ATOM 576 CZ ARG A 35 -4.697 -18.523 -3.953 1.00 0.00 C ATOM 577 NH1 ARG A 35 -5.613 -17.670 -4.401 1.00 0.00 N ATOM 578 NH2 ARG A 35 -4.872 -19.824 -4.132 1.00 0.00 N ATOM 0 H ARG A 35 1.008 -16.830 -4.910 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.535 -15.662 -4.984 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.974 -17.717 -3.746 1.00 0.00 H new ATOM 0 HB3 ARG A 35 0.076 -16.814 -2.674 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.961 -17.140 -1.483 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.948 -15.455 -1.965 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -4.141 -16.255 -2.451 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.329 -16.114 -3.997 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.919 -18.766 -3.021 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.484 -16.667 -4.268 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -6.445 -18.019 -4.878 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.173 -20.484 -3.792 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.706 -20.165 -4.610 1.00 0.00 H new ATOM 592 N LEU A 36 0.679 -14.136 -3.062 1.00 0.00 N ATOM 593 CA LEU A 36 0.979 -12.905 -2.344 1.00 0.00 C ATOM 594 C LEU A 36 0.877 -11.703 -3.269 1.00 0.00 C ATOM 595 O LEU A 36 0.352 -10.663 -2.883 1.00 0.00 O ATOM 596 CB LEU A 36 2.379 -12.978 -1.733 1.00 0.00 C ATOM 597 CG LEU A 36 2.562 -14.031 -0.639 1.00 0.00 C ATOM 598 CD1 LEU A 36 4.018 -14.106 -0.212 1.00 0.00 C ATOM 599 CD2 LEU A 36 1.675 -13.718 0.553 1.00 0.00 C ATOM 0 H LEU A 36 1.432 -14.823 -3.047 1.00 0.00 H new ATOM 0 HA LEU A 36 0.247 -12.788 -1.544 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.095 -13.178 -2.530 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.628 -12.001 -1.319 1.00 0.00 H new ATOM 0 HG LEU A 36 2.270 -15.001 -1.042 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.130 -14.860 0.567 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.635 -14.375 -1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.335 -13.137 0.173 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.818 -14.477 1.322 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.938 -12.740 0.955 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.631 -13.712 0.238 1.00 0.00 H new ATOM 611 N ASN A 37 1.367 -11.857 -4.496 1.00 0.00 N ATOM 612 CA ASN A 37 1.294 -10.788 -5.486 1.00 0.00 C ATOM 613 C ASN A 37 -0.157 -10.388 -5.720 1.00 0.00 C ATOM 614 O ASN A 37 -0.503 -9.208 -5.668 1.00 0.00 O ATOM 615 CB ASN A 37 1.924 -11.238 -6.806 1.00 0.00 C ATOM 616 CG ASN A 37 1.918 -10.143 -7.857 1.00 0.00 C ATOM 617 OD1 ASN A 37 2.067 -8.962 -7.544 1.00 0.00 O ATOM 618 ND2 ASN A 37 1.733 -10.529 -9.107 1.00 0.00 N ATOM 0 H ASN A 37 1.818 -12.710 -4.828 1.00 0.00 H new ATOM 0 HA ASN A 37 1.846 -9.928 -5.106 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.950 -11.557 -6.625 1.00 0.00 H new ATOM 0 HB3 ASN A 37 1.383 -12.105 -7.186 1.00 0.00 H new ATOM 0 HD21 ASN A 37 1.710 -9.837 -9.856 1.00 0.00 H new ATOM 0 HD22 ASN A 37 1.614 -11.519 -9.323 1.00 0.00 H new ATOM 625 N GLN A 38 -1.008 -11.386 -5.953 1.00 0.00 N ATOM 626 CA GLN A 38 -2.421 -11.168 -6.156 1.00 0.00 C ATOM 627 C GLN A 38 -3.053 -10.505 -4.935 1.00 0.00 C ATOM 628 O GLN A 38 -3.864 -9.587 -5.065 1.00 0.00 O ATOM 629 CB GLN A 38 -3.086 -12.508 -6.440 1.00 0.00 C ATOM 630 CG GLN A 38 -4.293 -12.389 -7.328 1.00 0.00 C ATOM 631 CD GLN A 38 -5.596 -12.674 -6.605 1.00 0.00 C ATOM 632 OE1 GLN A 38 -5.705 -12.474 -5.398 1.00 0.00 O ATOM 633 NE2 GLN A 38 -6.598 -13.120 -7.344 1.00 0.00 N ATOM 0 H GLN A 38 -0.727 -12.365 -6.004 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.565 -10.498 -7.003 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.362 -13.175 -6.908 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.380 -12.969 -5.497 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.330 -11.384 -7.748 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.190 -13.080 -8.165 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -6.466 -13.273 -8.344 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -7.503 -13.311 -6.914 1.00 0.00 H new ATOM 642 N GLU A 39 -2.662 -10.968 -3.752 1.00 0.00 N ATOM 643 CA GLU A 39 -3.172 -10.429 -2.507 1.00 0.00 C ATOM 644 C GLU A 39 -2.772 -8.966 -2.335 1.00 0.00 C ATOM 645 O GLU A 39 -3.534 -8.172 -1.786 1.00 0.00 O ATOM 646 CB GLU A 39 -2.670 -11.270 -1.333 1.00 0.00 C ATOM 647 CG GLU A 39 -3.274 -12.665 -1.296 1.00 0.00 C ATOM 648 CD GLU A 39 -3.031 -13.380 0.016 1.00 0.00 C ATOM 649 OE1 GLU A 39 -3.807 -13.152 0.969 1.00 0.00 O ATOM 650 OE2 GLU A 39 -2.086 -14.188 0.102 1.00 0.00 O ATOM 0 H GLU A 39 -1.986 -11.723 -3.635 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.261 -10.471 -2.532 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.585 -11.352 -1.391 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.902 -10.756 -0.400 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.347 -12.595 -1.472 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.856 -13.258 -2.109 1.00 0.00 H new ATOM 657 N ILE A 40 -1.579 -8.616 -2.810 1.00 0.00 N ATOM 658 CA ILE A 40 -1.123 -7.229 -2.786 1.00 0.00 C ATOM 659 C ILE A 40 -1.984 -6.372 -3.707 1.00 0.00 C ATOM 660 O ILE A 40 -2.441 -5.297 -3.325 1.00 0.00 O ATOM 661 CB ILE A 40 0.358 -7.098 -3.210 1.00 0.00 C ATOM 662 CG1 ILE A 40 1.261 -7.856 -2.237 1.00 0.00 C ATOM 663 CG2 ILE A 40 0.768 -5.631 -3.278 1.00 0.00 C ATOM 664 CD1 ILE A 40 2.710 -7.907 -2.670 1.00 0.00 C ATOM 0 H ILE A 40 -0.912 -9.273 -3.215 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.216 -6.881 -1.757 1.00 0.00 H new ATOM 0 HB ILE A 40 0.471 -7.535 -4.202 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.200 -7.385 -1.256 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.888 -8.874 -2.126 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.813 -5.559 -3.578 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.145 -5.112 -4.007 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.639 -5.171 -2.298 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.291 -8.460 -1.932 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.783 -8.405 -3.637 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.101 -6.893 -2.753 1.00 0.00 H new ATOM 676 N VAL A 41 -2.217 -6.868 -4.919 1.00 0.00 N ATOM 677 CA VAL A 41 -3.030 -6.155 -5.898 1.00 0.00 C ATOM 678 C VAL A 41 -4.456 -5.963 -5.376 1.00 0.00 C ATOM 679 O VAL A 41 -5.093 -4.939 -5.633 1.00 0.00 O ATOM 680 CB VAL A 41 -3.070 -6.898 -7.255 1.00 0.00 C ATOM 681 CG1 VAL A 41 -3.792 -6.070 -8.306 1.00 0.00 C ATOM 682 CG2 VAL A 41 -1.667 -7.236 -7.725 1.00 0.00 C ATOM 0 H VAL A 41 -1.853 -7.763 -5.247 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.568 -5.180 -6.054 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.621 -7.827 -7.111 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.807 -6.614 -9.251 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.815 -5.880 -7.980 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.273 -5.121 -8.442 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.719 -7.758 -8.681 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.092 -6.318 -7.844 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.181 -7.876 -6.988 1.00 0.00 H new ATOM 692 N LYS A 42 -4.963 -6.972 -4.676 1.00 0.00 N ATOM 693 CA LYS A 42 -6.258 -6.876 -4.007 1.00 0.00 C ATOM 694 C LYS A 42 -6.215 -5.850 -2.874 1.00 0.00 C ATOM 695 O LYS A 42 -7.104 -5.003 -2.758 1.00 0.00 O ATOM 696 CB LYS A 42 -6.678 -8.249 -3.459 1.00 0.00 C ATOM 697 CG LYS A 42 -7.905 -8.209 -2.556 1.00 0.00 C ATOM 698 CD LYS A 42 -9.140 -7.715 -3.295 1.00 0.00 C ATOM 699 CE LYS A 42 -10.301 -7.475 -2.339 1.00 0.00 C ATOM 700 NZ LYS A 42 -10.695 -8.714 -1.622 1.00 0.00 N ATOM 0 H LYS A 42 -4.495 -7.870 -4.556 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.994 -6.546 -4.740 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.878 -8.917 -4.297 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.844 -8.677 -2.902 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.095 -9.206 -2.158 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.707 -7.558 -1.704 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.905 -6.791 -3.823 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.432 -8.447 -4.048 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.022 -6.710 -1.615 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.156 -7.091 -2.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.570 -8.542 -1.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.855 -9.477 -2.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.937 -8.992 -0.967 1.00 0.00 H new ATOM 714 N ALA A 43 -5.166 -5.923 -2.057 1.00 0.00 N ATOM 715 CA ALA A 43 -5.027 -5.060 -0.886 1.00 0.00 C ATOM 716 C ALA A 43 -5.006 -3.588 -1.278 1.00 0.00 C ATOM 717 O ALA A 43 -5.661 -2.762 -0.637 1.00 0.00 O ATOM 718 CB ALA A 43 -3.768 -5.419 -0.112 1.00 0.00 C ATOM 0 H ALA A 43 -4.394 -6.577 -2.186 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.895 -5.222 -0.247 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.677 -4.768 0.758 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.826 -6.457 0.216 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.897 -5.290 -0.754 1.00 0.00 H new ATOM 724 N GLU A 44 -4.264 -3.269 -2.332 1.00 0.00 N ATOM 725 CA GLU A 44 -4.163 -1.893 -2.805 1.00 0.00 C ATOM 726 C GLU A 44 -5.537 -1.345 -3.183 1.00 0.00 C ATOM 727 O GLU A 44 -5.854 -0.203 -2.869 1.00 0.00 O ATOM 728 CB GLU A 44 -3.208 -1.800 -3.997 1.00 0.00 C ATOM 729 CG GLU A 44 -1.755 -2.071 -3.636 1.00 0.00 C ATOM 730 CD GLU A 44 -1.150 -0.994 -2.755 1.00 0.00 C ATOM 731 OE1 GLU A 44 -1.476 -0.930 -1.563 1.00 0.00 O ATOM 732 OE2 GLU A 44 -0.323 -0.196 -3.255 1.00 0.00 O ATOM 0 H GLU A 44 -3.724 -3.943 -2.875 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.764 -1.287 -1.992 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.523 -2.512 -4.760 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.285 -0.806 -4.437 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.687 -3.031 -3.125 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.169 -2.155 -4.551 1.00 0.00 H new ATOM 739 N LYS A 45 -6.362 -2.173 -3.824 1.00 0.00 N ATOM 740 CA LYS A 45 -7.700 -1.752 -4.223 1.00 0.00 C ATOM 741 C LYS A 45 -8.534 -1.397 -2.999 1.00 0.00 C ATOM 742 O LYS A 45 -9.323 -0.450 -3.021 1.00 0.00 O ATOM 743 CB LYS A 45 -8.407 -2.844 -5.023 1.00 0.00 C ATOM 744 CG LYS A 45 -7.732 -3.188 -6.340 1.00 0.00 C ATOM 745 CD LYS A 45 -8.671 -3.977 -7.241 1.00 0.00 C ATOM 746 CE LYS A 45 -7.959 -4.521 -8.469 1.00 0.00 C ATOM 747 NZ LYS A 45 -7.022 -5.620 -8.121 1.00 0.00 N ATOM 0 H LYS A 45 -6.127 -3.133 -4.076 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.594 -0.871 -4.856 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.467 -3.745 -4.412 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.430 -2.527 -5.224 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.421 -2.273 -6.844 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.830 -3.769 -6.150 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.105 -4.803 -6.678 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.496 -3.337 -7.554 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.696 -4.885 -9.185 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.410 -3.716 -8.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.434 -5.850 -8.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.411 -5.319 -7.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.564 -6.461 -7.837 1.00 0.00 H new ATOM 761 N GLN A 46 -8.348 -2.159 -1.930 1.00 0.00 N ATOM 762 CA GLN A 46 -9.062 -1.914 -0.688 1.00 0.00 C ATOM 763 C GLN A 46 -8.682 -0.551 -0.129 1.00 0.00 C ATOM 764 O GLN A 46 -9.545 0.238 0.253 1.00 0.00 O ATOM 765 CB GLN A 46 -8.746 -3.007 0.332 1.00 0.00 C ATOM 766 CG GLN A 46 -9.625 -2.967 1.573 1.00 0.00 C ATOM 767 CD GLN A 46 -9.237 -4.021 2.590 1.00 0.00 C ATOM 768 OE1 GLN A 46 -9.721 -5.150 2.546 1.00 0.00 O ATOM 769 NE2 GLN A 46 -8.360 -3.663 3.517 1.00 0.00 N ATOM 0 H GLN A 46 -7.708 -2.952 -1.900 1.00 0.00 H new ATOM 0 HA GLN A 46 -10.133 -1.928 -0.892 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.856 -3.980 -0.147 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -7.703 -2.917 0.635 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -9.556 -1.981 2.032 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.666 -3.112 1.283 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -7.980 -2.716 3.521 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -8.065 -4.334 4.226 1.00 0.00 H new ATOM 778 N GLY A 47 -7.384 -0.280 -0.110 1.00 0.00 N ATOM 779 CA GLY A 47 -6.894 0.989 0.387 1.00 0.00 C ATOM 780 C GLY A 47 -7.281 2.151 -0.504 1.00 0.00 C ATOM 781 O GLY A 47 -7.756 3.179 -0.020 1.00 0.00 O ATOM 0 H GLY A 47 -6.659 -0.921 -0.432 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.286 1.158 1.390 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.808 0.947 0.472 1.00 0.00 H new ATOM 785 N VAL A 48 -7.105 1.973 -1.810 1.00 0.00 N ATOM 786 CA VAL A 48 -7.412 3.015 -2.787 1.00 0.00 C ATOM 787 C VAL A 48 -8.866 3.460 -2.678 1.00 0.00 C ATOM 788 O VAL A 48 -9.160 4.653 -2.756 1.00 0.00 O ATOM 789 CB VAL A 48 -7.115 2.544 -4.235 1.00 0.00 C ATOM 790 CG1 VAL A 48 -7.679 3.521 -5.256 1.00 0.00 C ATOM 791 CG2 VAL A 48 -5.616 2.384 -4.439 1.00 0.00 C ATOM 0 H VAL A 48 -6.748 1.110 -2.220 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.766 3.863 -2.561 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.601 1.579 -4.382 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.456 3.165 -6.262 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.759 3.597 -5.129 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.227 4.502 -5.109 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.421 2.053 -5.459 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.121 3.340 -4.267 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.230 1.644 -3.738 1.00 0.00 H new ATOM 801 N LYS A 49 -9.769 2.509 -2.470 1.00 0.00 N ATOM 802 CA LYS A 49 -11.186 2.824 -2.356 1.00 0.00 C ATOM 803 C LYS A 49 -11.439 3.751 -1.172 1.00 0.00 C ATOM 804 O LYS A 49 -12.117 4.770 -1.307 1.00 0.00 O ATOM 805 CB LYS A 49 -12.018 1.549 -2.198 1.00 0.00 C ATOM 806 CG LYS A 49 -13.517 1.807 -2.192 1.00 0.00 C ATOM 807 CD LYS A 49 -13.981 2.409 -3.511 1.00 0.00 C ATOM 808 CE LYS A 49 -15.407 2.938 -3.425 1.00 0.00 C ATOM 809 NZ LYS A 49 -16.389 1.877 -3.083 1.00 0.00 N ATOM 0 H LYS A 49 -9.546 1.518 -2.377 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.488 3.329 -3.273 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.777 0.863 -3.010 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.738 1.053 -1.269 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -14.048 0.873 -2.010 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.769 2.482 -1.374 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -13.310 3.219 -3.796 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -13.921 1.655 -4.295 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -15.454 3.727 -2.674 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -15.682 3.389 -4.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -17.351 2.270 -3.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -16.307 1.096 -3.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -16.197 1.522 -2.125 1.00 0.00 H new ATOM 823 N VAL A 50 -10.872 3.406 -0.023 1.00 0.00 N ATOM 824 CA VAL A 50 -11.058 4.191 1.194 1.00 0.00 C ATOM 825 C VAL A 50 -10.371 5.550 1.069 1.00 0.00 C ATOM 826 O VAL A 50 -10.937 6.574 1.455 1.00 0.00 O ATOM 827 CB VAL A 50 -10.523 3.447 2.436 1.00 0.00 C ATOM 828 CG1 VAL A 50 -10.827 4.223 3.710 1.00 0.00 C ATOM 829 CG2 VAL A 50 -11.110 2.047 2.518 1.00 0.00 C ATOM 0 H VAL A 50 -10.277 2.585 0.093 1.00 0.00 H new ATOM 0 HA VAL A 50 -12.130 4.342 1.322 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.441 3.365 2.336 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.439 3.677 4.570 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.354 5.204 3.660 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -11.905 4.345 3.813 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -10.720 1.540 3.401 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.196 2.111 2.587 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.836 1.485 1.626 1.00 0.00 H new ATOM 839 N TYR A 51 -9.157 5.557 0.520 1.00 0.00 N ATOM 840 CA TYR A 51 -8.436 6.804 0.273 1.00 0.00 C ATOM 841 C TYR A 51 -9.251 7.720 -0.632 1.00 0.00 C ATOM 842 O TYR A 51 -9.432 8.897 -0.337 1.00 0.00 O ATOM 843 CB TYR A 51 -7.074 6.539 -0.377 1.00 0.00 C ATOM 844 CG TYR A 51 -5.955 6.209 0.590 1.00 0.00 C ATOM 845 CD1 TYR A 51 -5.496 7.158 1.493 1.00 0.00 C ATOM 846 CD2 TYR A 51 -5.347 4.961 0.587 1.00 0.00 C ATOM 847 CE1 TYR A 51 -4.466 6.871 2.368 1.00 0.00 C ATOM 848 CE2 TYR A 51 -4.316 4.666 1.458 1.00 0.00 C ATOM 849 CZ TYR A 51 -3.878 5.625 2.347 1.00 0.00 C ATOM 850 OH TYR A 51 -2.851 5.340 3.216 1.00 0.00 O ATOM 0 H TYR A 51 -8.654 4.716 0.239 1.00 0.00 H new ATOM 0 HA TYR A 51 -8.278 7.287 1.237 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -7.179 5.714 -1.082 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.787 7.418 -0.955 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -5.952 8.137 1.512 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.686 4.207 -0.108 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.123 7.620 3.066 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.855 3.689 1.443 1.00 0.00 H new ATOM 0 HH TYR A 51 -2.101 4.952 2.719 1.00 0.00 H new ATOM 860 N LYS A 52 -9.751 7.157 -1.725 1.00 0.00 N ATOM 861 CA LYS A 52 -10.528 7.902 -2.706 1.00 0.00 C ATOM 862 C LYS A 52 -11.786 8.483 -2.068 1.00 0.00 C ATOM 863 O LYS A 52 -12.104 9.657 -2.256 1.00 0.00 O ATOM 864 CB LYS A 52 -10.904 6.969 -3.861 1.00 0.00 C ATOM 865 CG LYS A 52 -11.625 7.642 -5.019 1.00 0.00 C ATOM 866 CD LYS A 52 -10.810 8.773 -5.622 1.00 0.00 C ATOM 867 CE LYS A 52 -11.397 9.229 -6.948 1.00 0.00 C ATOM 868 NZ LYS A 52 -12.843 9.558 -6.847 1.00 0.00 N ATOM 0 H LYS A 52 -9.629 6.171 -1.956 1.00 0.00 H new ATOM 0 HA LYS A 52 -9.928 8.730 -3.084 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.996 6.500 -4.241 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -11.537 6.171 -3.473 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -11.842 6.902 -5.789 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -12.582 8.031 -4.672 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.779 9.612 -4.927 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.781 8.444 -5.771 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.852 10.105 -7.301 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.257 8.445 -7.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -13.109 10.194 -7.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -13.403 8.684 -6.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -13.030 10.026 -5.937 1.00 0.00 H new ATOM 882 N GLU A 53 -12.475 7.653 -1.296 1.00 0.00 N ATOM 883 CA GLU A 53 -13.700 8.051 -0.619 1.00 0.00 C ATOM 884 C GLU A 53 -13.458 9.215 0.341 1.00 0.00 C ATOM 885 O GLU A 53 -14.167 10.221 0.306 1.00 0.00 O ATOM 886 CB GLU A 53 -14.268 6.854 0.146 1.00 0.00 C ATOM 887 CG GLU A 53 -14.964 5.825 -0.732 1.00 0.00 C ATOM 888 CD GLU A 53 -16.202 6.367 -1.420 1.00 0.00 C ATOM 889 OE1 GLU A 53 -16.066 7.003 -2.483 1.00 0.00 O ATOM 890 OE2 GLU A 53 -17.321 6.136 -0.911 1.00 0.00 O ATOM 0 H GLU A 53 -12.200 6.686 -1.122 1.00 0.00 H new ATOM 0 HA GLU A 53 -14.414 8.385 -1.372 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -13.458 6.365 0.686 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -14.975 7.216 0.892 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -14.264 5.468 -1.487 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -15.242 4.965 -0.123 1.00 0.00 H new ATOM 897 N ALA A 54 -12.450 9.073 1.192 1.00 0.00 N ATOM 898 CA ALA A 54 -12.170 10.067 2.222 1.00 0.00 C ATOM 899 C ALA A 54 -11.551 11.336 1.647 1.00 0.00 C ATOM 900 O ALA A 54 -11.816 12.429 2.140 1.00 0.00 O ATOM 901 CB ALA A 54 -11.270 9.474 3.294 1.00 0.00 C ATOM 0 H ALA A 54 -11.811 8.278 1.190 1.00 0.00 H new ATOM 0 HA ALA A 54 -13.123 10.350 2.669 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -11.069 10.226 4.057 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -11.765 8.617 3.751 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -10.331 9.153 2.844 1.00 0.00 H new ATOM 907 N ALA A 55 -10.737 11.191 0.610 1.00 0.00 N ATOM 908 CA ALA A 55 -10.031 12.326 0.024 1.00 0.00 C ATOM 909 C ALA A 55 -10.992 13.399 -0.455 1.00 0.00 C ATOM 910 O ALA A 55 -10.784 14.580 -0.203 1.00 0.00 O ATOM 911 CB ALA A 55 -9.144 11.875 -1.125 1.00 0.00 C ATOM 0 H ALA A 55 -10.548 10.298 0.156 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.407 12.756 0.808 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.628 12.738 -1.546 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.411 11.157 -0.758 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.757 11.407 -1.895 1.00 0.00 H new ATOM 917 N GLU A 56 -12.061 12.986 -1.113 1.00 0.00 N ATOM 918 CA GLU A 56 -13.005 13.941 -1.683 1.00 0.00 C ATOM 919 C GLU A 56 -14.111 14.263 -0.686 1.00 0.00 C ATOM 920 O GLU A 56 -15.129 14.863 -1.032 1.00 0.00 O ATOM 921 CB GLU A 56 -13.575 13.412 -2.996 1.00 0.00 C ATOM 922 CG GLU A 56 -14.107 11.995 -2.906 1.00 0.00 C ATOM 923 CD GLU A 56 -14.437 11.424 -4.267 1.00 0.00 C ATOM 924 OE1 GLU A 56 -13.541 11.408 -5.143 1.00 0.00 O ATOM 925 OE2 GLU A 56 -15.586 10.989 -4.477 1.00 0.00 O ATOM 0 H GLU A 56 -12.299 12.006 -1.267 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.474 14.868 -1.900 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -14.378 14.071 -3.324 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -12.799 13.451 -3.760 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.368 11.361 -2.417 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -15.000 11.983 -2.282 1.00 0.00 H new ATOM 932 N LYS A 57 -13.894 13.859 0.558 1.00 0.00 N ATOM 933 CA LYS A 57 -14.799 14.160 1.646 1.00 0.00 C ATOM 934 C LYS A 57 -14.028 14.723 2.838 1.00 0.00 C ATOM 935 O LYS A 57 -14.558 14.829 3.944 1.00 0.00 O ATOM 936 CB LYS A 57 -15.553 12.894 2.042 1.00 0.00 C ATOM 937 CG LYS A 57 -16.682 12.537 1.086 1.00 0.00 C ATOM 938 CD LYS A 57 -17.400 11.265 1.507 1.00 0.00 C ATOM 939 CE LYS A 57 -18.556 10.938 0.568 1.00 0.00 C ATOM 940 NZ LYS A 57 -19.604 11.996 0.576 1.00 0.00 N ATOM 0 H LYS A 57 -13.080 13.311 0.837 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.516 14.914 1.321 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.851 12.062 2.089 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.963 13.023 3.044 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -17.396 13.360 1.044 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -16.280 12.411 0.081 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.694 10.435 1.519 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -17.777 11.378 2.524 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -18.175 10.814 -0.446 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -19.001 9.986 0.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -20.466 11.634 0.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -19.818 12.265 1.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -19.261 12.829 0.056 1.00 0.00 H new ATOM 954 N ALA A 58 -12.768 15.081 2.602 1.00 0.00 N ATOM 955 CA ALA A 58 -11.914 15.611 3.655 1.00 0.00 C ATOM 956 C ALA A 58 -12.113 17.115 3.831 1.00 0.00 C ATOM 957 O ALA A 58 -12.328 17.842 2.861 1.00 0.00 O ATOM 958 CB ALA A 58 -10.455 15.303 3.354 1.00 0.00 C ATOM 0 H ALA A 58 -12.318 15.013 1.689 1.00 0.00 H new ATOM 0 HA ALA A 58 -12.195 15.126 4.590 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -9.827 15.705 4.149 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.316 14.224 3.292 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -10.175 15.760 2.405 1.00 0.00 H new ATOM 964 N ARG A 59 -12.037 17.569 5.077 1.00 0.00 N ATOM 965 CA ARG A 59 -12.184 18.988 5.393 1.00 0.00 C ATOM 966 C ARG A 59 -10.871 19.732 5.185 1.00 0.00 C ATOM 967 O ARG A 59 -10.853 20.880 4.742 1.00 0.00 O ATOM 968 CB ARG A 59 -12.631 19.167 6.844 1.00 0.00 C ATOM 969 CG ARG A 59 -14.051 18.710 7.127 1.00 0.00 C ATOM 970 CD ARG A 59 -14.345 18.738 8.619 1.00 0.00 C ATOM 971 NE ARG A 59 -13.990 20.020 9.228 1.00 0.00 N ATOM 972 CZ ARG A 59 -13.710 20.177 10.523 1.00 0.00 C ATOM 973 NH1 ARG A 59 -13.772 19.140 11.350 1.00 0.00 N ATOM 974 NH2 ARG A 59 -13.360 21.366 10.984 1.00 0.00 N ATOM 0 H ARG A 59 -11.874 16.973 5.889 1.00 0.00 H new ATOM 0 HA ARG A 59 -12.938 19.399 4.722 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -11.950 18.615 7.491 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -12.542 20.220 7.111 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -14.756 19.354 6.602 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -14.195 17.700 6.743 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -15.404 18.541 8.783 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -13.792 17.938 9.112 1.00 0.00 H new ATOM 0 HE ARG A 59 -13.954 20.843 8.627 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -14.034 18.220 10.996 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -13.557 19.263 12.340 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -13.304 22.163 10.350 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -13.146 21.486 11.974 1.00 0.00 H new ATOM 988 N ASN A 60 -9.773 19.066 5.508 1.00 0.00 N ATOM 989 CA ASN A 60 -8.462 19.697 5.479 1.00 0.00 C ATOM 990 C ASN A 60 -7.842 19.601 4.087 1.00 0.00 C ATOM 991 O ASN A 60 -7.564 18.507 3.596 1.00 0.00 O ATOM 992 CB ASN A 60 -7.544 19.039 6.508 1.00 0.00 C ATOM 993 CG ASN A 60 -6.236 19.781 6.674 1.00 0.00 C ATOM 994 OD1 ASN A 60 -5.274 19.536 5.948 1.00 0.00 O ATOM 995 ND2 ASN A 60 -6.198 20.689 7.636 1.00 0.00 N ATOM 0 H ASN A 60 -9.764 18.087 5.794 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.583 20.751 5.727 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.056 18.991 7.469 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.340 18.012 6.204 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.344 21.222 7.801 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.023 20.856 8.212 1.00 0.00 H new ATOM 1002 N PRO A 61 -7.611 20.753 3.434 1.00 0.00 N ATOM 1003 CA PRO A 61 -7.077 20.798 2.069 1.00 0.00 C ATOM 1004 C PRO A 61 -5.610 20.385 1.988 1.00 0.00 C ATOM 1005 O PRO A 61 -5.151 19.879 0.963 1.00 0.00 O ATOM 1006 CB PRO A 61 -7.244 22.268 1.672 1.00 0.00 C ATOM 1007 CG PRO A 61 -7.240 23.017 2.962 1.00 0.00 C ATOM 1008 CD PRO A 61 -7.865 22.102 3.976 1.00 0.00 C ATOM 0 HA PRO A 61 -7.595 20.099 1.412 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.433 22.596 1.022 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.174 22.427 1.126 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -6.225 23.286 3.253 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.804 23.946 2.875 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.415 22.229 4.961 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -8.932 22.295 4.086 1.00 0.00 H new ATOM 1016 N GLU A 62 -4.876 20.591 3.071 1.00 0.00 N ATOM 1017 CA GLU A 62 -3.469 20.282 3.096 1.00 0.00 C ATOM 1018 C GLU A 62 -3.234 18.778 3.092 1.00 0.00 C ATOM 1019 O GLU A 62 -2.418 18.273 2.325 1.00 0.00 O ATOM 1020 CB GLU A 62 -2.855 20.920 4.329 1.00 0.00 C ATOM 1021 CG GLU A 62 -2.908 22.440 4.310 1.00 0.00 C ATOM 1022 CD GLU A 62 -2.055 23.046 3.210 1.00 0.00 C ATOM 1023 OE1 GLU A 62 -2.523 23.132 2.053 1.00 0.00 O ATOM 1024 OE2 GLU A 62 -0.906 23.439 3.497 1.00 0.00 O ATOM 0 H GLU A 62 -5.241 20.973 3.944 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.996 20.682 2.199 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.375 20.556 5.215 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.816 20.601 4.416 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.942 22.761 4.180 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.574 22.822 5.275 1.00 0.00 H new ATOM 1031 N LYS A 63 -3.983 18.063 3.921 1.00 0.00 N ATOM 1032 CA LYS A 63 -3.910 16.609 3.938 1.00 0.00 C ATOM 1033 C LYS A 63 -4.613 16.021 2.726 1.00 0.00 C ATOM 1034 O LYS A 63 -4.313 14.906 2.306 1.00 0.00 O ATOM 1035 CB LYS A 63 -4.507 16.030 5.221 1.00 0.00 C ATOM 1036 CG LYS A 63 -3.618 16.205 6.440 1.00 0.00 C ATOM 1037 CD LYS A 63 -4.097 15.349 7.600 1.00 0.00 C ATOM 1038 CE LYS A 63 -3.112 15.373 8.758 1.00 0.00 C ATOM 1039 NZ LYS A 63 -1.780 14.829 8.373 1.00 0.00 N ATOM 0 H LYS A 63 -4.644 18.463 4.587 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.855 16.337 3.903 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.468 16.507 5.412 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.702 14.968 5.074 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.592 15.937 6.186 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.609 17.253 6.738 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.068 15.707 7.941 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.237 14.322 7.262 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.996 16.397 9.113 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.514 14.792 9.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.480 14.119 9.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.844 14.387 7.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.084 15.602 8.345 1.00 0.00 H new ATOM 1053 N ARG A 64 -5.547 16.780 2.161 1.00 0.00 N ATOM 1054 CA ARG A 64 -6.234 16.366 0.943 1.00 0.00 C ATOM 1055 C ARG A 64 -5.209 16.138 -0.164 1.00 0.00 C ATOM 1056 O ARG A 64 -5.274 15.147 -0.891 1.00 0.00 O ATOM 1057 CB ARG A 64 -7.251 17.432 0.512 1.00 0.00 C ATOM 1058 CG ARG A 64 -8.546 16.870 -0.063 1.00 0.00 C ATOM 1059 CD ARG A 64 -8.316 16.010 -1.298 1.00 0.00 C ATOM 1060 NE ARG A 64 -7.785 16.772 -2.426 1.00 0.00 N ATOM 1061 CZ ARG A 64 -7.839 16.359 -3.693 1.00 0.00 C ATOM 1062 NH1 ARG A 64 -8.424 15.204 -3.996 1.00 0.00 N ATOM 1063 NH2 ARG A 64 -7.312 17.102 -4.659 1.00 0.00 N ATOM 0 H ARG A 64 -5.845 17.684 2.527 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.772 15.438 1.135 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.491 18.057 1.372 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.788 18.079 -0.233 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -9.050 16.276 0.700 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.213 17.693 -0.318 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.624 15.205 -1.051 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.257 15.543 -1.591 1.00 0.00 H new ATOM 0 HE ARG A 64 -7.347 17.673 -2.233 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.833 14.631 -3.258 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.463 14.891 -4.966 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -6.865 17.990 -4.433 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -7.354 16.784 -5.627 1.00 0.00 H new ATOM 1077 N GLN A 65 -4.250 17.052 -0.264 1.00 0.00 N ATOM 1078 CA GLN A 65 -3.187 16.957 -1.242 1.00 0.00 C ATOM 1079 C GLN A 65 -2.287 15.767 -0.948 1.00 0.00 C ATOM 1080 O GLN A 65 -1.855 15.062 -1.859 1.00 0.00 O ATOM 1081 CB GLN A 65 -2.385 18.247 -1.219 1.00 0.00 C ATOM 1082 CG GLN A 65 -3.166 19.455 -1.699 1.00 0.00 C ATOM 1083 CD GLN A 65 -2.509 20.755 -1.297 1.00 0.00 C ATOM 1084 OE1 GLN A 65 -1.672 21.293 -2.018 1.00 0.00 O ATOM 1085 NE2 GLN A 65 -2.888 21.269 -0.138 1.00 0.00 N ATOM 0 H GLN A 65 -4.193 17.877 0.333 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.619 16.809 -2.232 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.036 18.430 -0.203 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -1.499 18.126 -1.843 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.260 19.417 -2.784 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.176 19.419 -1.291 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.587 20.788 0.429 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.482 22.146 0.188 1.00 0.00 H new ATOM 1094 N VAL A 66 -2.017 15.543 0.329 1.00 0.00 N ATOM 1095 CA VAL A 66 -1.212 14.405 0.749 1.00 0.00 C ATOM 1096 C VAL A 66 -1.888 13.099 0.340 1.00 0.00 C ATOM 1097 O VAL A 66 -1.260 12.225 -0.257 1.00 0.00 O ATOM 1098 CB VAL A 66 -0.982 14.408 2.275 1.00 0.00 C ATOM 1099 CG1 VAL A 66 -0.138 13.216 2.701 1.00 0.00 C ATOM 1100 CG2 VAL A 66 -0.332 15.711 2.717 1.00 0.00 C ATOM 0 H VAL A 66 -2.344 16.134 1.093 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.244 14.487 0.255 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.953 14.325 2.763 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.009 13.242 3.781 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.648 12.293 2.426 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.830 13.259 2.202 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.178 15.693 3.796 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.629 15.827 2.215 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.980 16.548 2.457 1.00 0.00 H new ATOM 1110 N ILE A 67 -3.179 12.986 0.646 1.00 0.00 N ATOM 1111 CA ILE A 67 -3.952 11.793 0.315 1.00 0.00 C ATOM 1112 C ILE A 67 -4.036 11.592 -1.198 1.00 0.00 C ATOM 1113 O ILE A 67 -3.928 10.471 -1.684 1.00 0.00 O ATOM 1114 CB ILE A 67 -5.377 11.861 0.909 1.00 0.00 C ATOM 1115 CG1 ILE A 67 -5.313 11.954 2.437 1.00 0.00 C ATOM 1116 CG2 ILE A 67 -6.192 10.648 0.482 1.00 0.00 C ATOM 1117 CD1 ILE A 67 -6.667 12.131 3.093 1.00 0.00 C ATOM 0 H ILE A 67 -3.713 13.711 1.125 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.431 10.943 0.756 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.869 12.756 0.528 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.845 11.051 2.828 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.672 12.791 2.715 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -7.192 10.713 0.910 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.263 10.622 -0.605 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.705 9.739 0.836 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -6.543 12.189 4.174 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -7.129 13.049 2.731 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -7.305 11.282 2.846 1.00 0.00 H new ATOM 1129 N ASP A 68 -4.222 12.682 -1.933 1.00 0.00 N ATOM 1130 CA ASP A 68 -4.263 12.634 -3.395 1.00 0.00 C ATOM 1131 C ASP A 68 -2.930 12.136 -3.946 1.00 0.00 C ATOM 1132 O ASP A 68 -2.889 11.269 -4.822 1.00 0.00 O ATOM 1133 CB ASP A 68 -4.577 14.023 -3.954 1.00 0.00 C ATOM 1134 CG ASP A 68 -4.707 14.040 -5.465 1.00 0.00 C ATOM 1135 OD1 ASP A 68 -3.688 14.258 -6.149 1.00 0.00 O ATOM 1136 OD2 ASP A 68 -5.834 13.866 -5.976 1.00 0.00 O ATOM 0 H ASP A 68 -4.348 13.615 -1.541 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.047 11.942 -3.702 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.505 14.385 -3.511 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.790 14.715 -3.655 1.00 0.00 H new ATOM 1141 N LYS A 69 -1.846 12.682 -3.413 1.00 0.00 N ATOM 1142 CA LYS A 69 -0.502 12.252 -3.785 1.00 0.00 C ATOM 1143 C LYS A 69 -0.319 10.762 -3.470 1.00 0.00 C ATOM 1144 O LYS A 69 0.194 10.000 -4.293 1.00 0.00 O ATOM 1145 CB LYS A 69 0.533 13.109 -3.034 1.00 0.00 C ATOM 1146 CG LYS A 69 1.961 13.028 -3.572 1.00 0.00 C ATOM 1147 CD LYS A 69 2.681 11.759 -3.140 1.00 0.00 C ATOM 1148 CE LYS A 69 2.770 11.647 -1.626 1.00 0.00 C ATOM 1149 NZ LYS A 69 3.460 10.402 -1.196 1.00 0.00 N ATOM 0 H LYS A 69 -1.870 13.428 -2.718 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.356 12.388 -4.857 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.209 14.149 -3.064 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.539 12.807 -1.987 1.00 0.00 H new ATOM 0 HG2 LYS A 69 1.938 13.075 -4.661 1.00 0.00 H new ATOM 0 HG3 LYS A 69 2.524 13.895 -3.228 1.00 0.00 H new ATOM 0 HD2 LYS A 69 2.157 10.890 -3.538 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.685 11.748 -3.565 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.303 12.511 -1.230 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.766 11.669 -1.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.294 10.246 -0.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.088 9.595 -1.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.481 10.494 -1.369 1.00 0.00 H new ATOM 1163 N ILE A 70 -0.765 10.355 -2.282 1.00 0.00 N ATOM 1164 CA ILE A 70 -0.715 8.953 -1.869 1.00 0.00 C ATOM 1165 C ILE A 70 -1.566 8.088 -2.797 1.00 0.00 C ATOM 1166 O ILE A 70 -1.171 6.982 -3.166 1.00 0.00 O ATOM 1167 CB ILE A 70 -1.189 8.779 -0.407 1.00 0.00 C ATOM 1168 CG1 ILE A 70 -0.199 9.450 0.551 1.00 0.00 C ATOM 1169 CG2 ILE A 70 -1.354 7.302 -0.060 1.00 0.00 C ATOM 1170 CD1 ILE A 70 -0.623 9.402 2.001 1.00 0.00 C ATOM 0 H ILE A 70 -1.168 10.981 -1.585 1.00 0.00 H new ATOM 0 HA ILE A 70 0.324 8.629 -1.933 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.161 9.260 -0.300 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.773 8.967 0.451 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.070 10.491 0.254 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.688 7.206 0.973 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.093 6.853 -0.723 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.399 6.791 -0.182 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.128 9.897 2.616 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.580 9.911 2.117 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.724 8.364 2.316 1.00 0.00 H new ATOM 1182 N LEU A 71 -2.723 8.612 -3.185 1.00 0.00 N ATOM 1183 CA LEU A 71 -3.615 7.933 -4.110 1.00 0.00 C ATOM 1184 C LEU A 71 -2.905 7.634 -5.423 1.00 0.00 C ATOM 1185 O LEU A 71 -2.918 6.500 -5.896 1.00 0.00 O ATOM 1186 CB LEU A 71 -4.857 8.797 -4.353 1.00 0.00 C ATOM 1187 CG LEU A 71 -6.084 8.419 -3.525 1.00 0.00 C ATOM 1188 CD1 LEU A 71 -7.203 9.427 -3.746 1.00 0.00 C ATOM 1189 CD2 LEU A 71 -6.556 7.018 -3.881 1.00 0.00 C ATOM 0 H LEU A 71 -3.066 9.518 -2.866 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.922 6.983 -3.672 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.604 9.836 -4.144 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.119 8.739 -5.409 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.807 8.432 -2.471 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.070 9.144 -3.150 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.864 10.419 -3.446 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.477 9.441 -4.801 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.431 6.765 -3.282 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.817 6.980 -4.938 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.759 6.303 -3.678 1.00 0.00 H new ATOM 1201 N GLU A 72 -2.256 8.648 -5.982 1.00 0.00 N ATOM 1202 CA GLU A 72 -1.485 8.487 -7.211 1.00 0.00 C ATOM 1203 C GLU A 72 -0.400 7.436 -7.004 1.00 0.00 C ATOM 1204 O GLU A 72 -0.163 6.592 -7.865 1.00 0.00 O ATOM 1205 CB GLU A 72 -0.859 9.831 -7.607 1.00 0.00 C ATOM 1206 CG GLU A 72 -0.355 9.911 -9.046 1.00 0.00 C ATOM 1207 CD GLU A 72 0.905 9.104 -9.292 1.00 0.00 C ATOM 1208 OE1 GLU A 72 1.955 9.428 -8.699 1.00 0.00 O ATOM 1209 OE2 GLU A 72 0.854 8.141 -10.084 1.00 0.00 O ATOM 0 H GLU A 72 -2.248 9.595 -5.603 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.144 8.156 -8.013 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.597 10.618 -7.453 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.027 10.039 -6.935 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.139 9.559 -9.717 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.164 10.954 -9.298 1.00 0.00 H new ATOM 1216 N ASP A 73 0.249 7.491 -5.850 1.00 0.00 N ATOM 1217 CA ASP A 73 1.293 6.531 -5.512 1.00 0.00 C ATOM 1218 C ASP A 73 0.757 5.104 -5.528 1.00 0.00 C ATOM 1219 O ASP A 73 1.369 4.217 -6.114 1.00 0.00 O ATOM 1220 CB ASP A 73 1.904 6.835 -4.147 1.00 0.00 C ATOM 1221 CG ASP A 73 2.763 8.081 -4.148 1.00 0.00 C ATOM 1222 OD1 ASP A 73 3.223 8.501 -5.234 1.00 0.00 O ATOM 1223 OD2 ASP A 73 2.999 8.638 -3.057 1.00 0.00 O ATOM 0 H ASP A 73 0.071 8.191 -5.130 1.00 0.00 H new ATOM 0 HA ASP A 73 2.070 6.622 -6.271 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.105 6.952 -3.415 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.507 5.985 -3.827 1.00 0.00 H new ATOM 1228 N GLU A 74 -0.395 4.887 -4.903 1.00 0.00 N ATOM 1229 CA GLU A 74 -0.998 3.561 -4.880 1.00 0.00 C ATOM 1230 C GLU A 74 -1.429 3.146 -6.292 1.00 0.00 C ATOM 1231 O GLU A 74 -1.283 1.983 -6.667 1.00 0.00 O ATOM 1232 CB GLU A 74 -2.189 3.512 -3.917 1.00 0.00 C ATOM 1233 CG GLU A 74 -1.872 3.980 -2.498 1.00 0.00 C ATOM 1234 CD GLU A 74 -0.859 3.113 -1.759 1.00 0.00 C ATOM 1235 OE1 GLU A 74 -0.284 2.168 -2.360 1.00 0.00 O ATOM 1236 OE2 GLU A 74 -0.619 3.381 -0.552 1.00 0.00 O ATOM 0 H GLU A 74 -0.925 5.605 -4.410 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.249 2.855 -4.522 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.992 4.130 -4.320 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.564 2.490 -3.874 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.494 5.001 -2.542 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.797 4.007 -1.922 1.00 0.00 H new ATOM 1243 N GLU A 75 -1.930 4.110 -7.081 1.00 0.00 N ATOM 1244 CA GLU A 75 -2.250 3.870 -8.489 1.00 0.00 C ATOM 1245 C GLU A 75 -1.006 3.384 -9.229 1.00 0.00 C ATOM 1246 O GLU A 75 -1.074 2.526 -10.112 1.00 0.00 O ATOM 1247 CB GLU A 75 -2.757 5.154 -9.166 1.00 0.00 C ATOM 1248 CG GLU A 75 -4.052 5.721 -8.604 1.00 0.00 C ATOM 1249 CD GLU A 75 -5.196 4.727 -8.576 1.00 0.00 C ATOM 1250 OE1 GLU A 75 -5.085 3.662 -9.208 1.00 0.00 O ATOM 1251 OE2 GLU A 75 -6.180 4.999 -7.862 1.00 0.00 O ATOM 0 H GLU A 75 -2.120 5.061 -6.764 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.033 3.113 -8.530 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.982 5.916 -9.087 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.899 4.953 -10.228 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.871 6.080 -7.591 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.348 6.584 -9.200 1.00 0.00 H new ATOM 1258 N LYS A 76 0.130 3.955 -8.856 1.00 0.00 N ATOM 1259 CA LYS A 76 1.416 3.596 -9.432 1.00 0.00 C ATOM 1260 C LYS A 76 1.816 2.183 -9.006 1.00 0.00 C ATOM 1261 O LYS A 76 2.338 1.404 -9.802 1.00 0.00 O ATOM 1262 CB LYS A 76 2.471 4.604 -8.973 1.00 0.00 C ATOM 1263 CG LYS A 76 3.816 4.473 -9.664 1.00 0.00 C ATOM 1264 CD LYS A 76 4.861 5.417 -9.072 1.00 0.00 C ATOM 1265 CE LYS A 76 4.452 6.883 -9.160 1.00 0.00 C ATOM 1266 NZ LYS A 76 3.513 7.283 -8.076 1.00 0.00 N ATOM 0 H LYS A 76 0.185 4.682 -8.143 1.00 0.00 H new ATOM 0 HA LYS A 76 1.341 3.616 -10.519 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.089 5.611 -9.140 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.617 4.493 -7.899 1.00 0.00 H new ATOM 0 HG2 LYS A 76 4.168 3.445 -9.579 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.699 4.683 -10.727 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.031 5.154 -8.028 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.808 5.277 -9.594 1.00 0.00 H new ATOM 0 HE2 LYS A 76 5.344 7.508 -9.112 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.984 7.068 -10.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.703 7.788 -8.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.175 6.434 -7.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 4.004 7.906 -7.404 1.00 0.00 H new ATOM 1280 N HIS A 77 1.548 1.861 -7.744 1.00 0.00 N ATOM 1281 CA HIS A 77 1.884 0.552 -7.187 1.00 0.00 C ATOM 1282 C HIS A 77 1.116 -0.555 -7.901 1.00 0.00 C ATOM 1283 O HIS A 77 1.677 -1.606 -8.224 1.00 0.00 O ATOM 1284 CB HIS A 77 1.573 0.509 -5.689 1.00 0.00 C ATOM 1285 CG HIS A 77 2.408 1.438 -4.867 1.00 0.00 C ATOM 1286 ND1 HIS A 77 2.163 1.634 -3.526 1.00 0.00 N ATOM 1287 CD2 HIS A 77 3.475 2.187 -5.236 1.00 0.00 C ATOM 1288 CE1 HIS A 77 3.093 2.495 -3.121 1.00 0.00 C ATOM 1289 NE2 HIS A 77 3.900 2.854 -4.121 1.00 0.00 N ATOM 0 H HIS A 77 1.096 2.493 -7.083 1.00 0.00 H new ATOM 0 HA HIS A 77 2.952 0.391 -7.335 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.521 0.754 -5.540 1.00 0.00 H new ATOM 0 HB3 HIS A 77 1.718 -0.509 -5.328 1.00 0.00 H new ATOM 0 HD2 HIS A 77 3.908 2.246 -6.224 1.00 0.00 H new ATOM 0 HE1 HIS A 77 3.183 2.858 -2.108 1.00 0.00 H new ATOM 0 HE2 HIS A 77 4.685 3.503 -4.064 1.00 0.00 H new ATOM 1297 N ILE A 78 -0.166 -0.303 -8.151 1.00 0.00 N ATOM 1298 CA ILE A 78 -1.013 -1.253 -8.861 1.00 0.00 C ATOM 1299 C ILE A 78 -0.433 -1.570 -10.237 1.00 0.00 C ATOM 1300 O ILE A 78 -0.476 -2.714 -10.691 1.00 0.00 O ATOM 1301 CB ILE A 78 -2.455 -0.712 -9.020 1.00 0.00 C ATOM 1302 CG1 ILE A 78 -3.072 -0.439 -7.644 1.00 0.00 C ATOM 1303 CG2 ILE A 78 -3.315 -1.696 -9.804 1.00 0.00 C ATOM 1304 CD1 ILE A 78 -4.454 0.174 -7.701 1.00 0.00 C ATOM 0 H ILE A 78 -0.641 0.555 -7.871 1.00 0.00 H new ATOM 0 HA ILE A 78 -1.047 -2.166 -8.266 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.414 0.224 -9.577 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -3.123 -1.375 -7.088 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.413 0.227 -7.087 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.324 -1.297 -9.905 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.884 -1.847 -10.794 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.352 -2.648 -9.275 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -4.822 0.337 -6.688 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.408 1.127 -8.228 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -5.129 -0.500 -8.228 1.00 0.00 H new ATOM 1316 N GLU A 79 0.135 -0.559 -10.881 1.00 0.00 N ATOM 1317 CA GLU A 79 0.711 -0.714 -12.204 1.00 0.00 C ATOM 1318 C GLU A 79 1.915 -1.659 -12.178 1.00 0.00 C ATOM 1319 O GLU A 79 2.059 -2.512 -13.056 1.00 0.00 O ATOM 1320 CB GLU A 79 1.120 0.650 -12.755 1.00 0.00 C ATOM 1321 CG GLU A 79 1.707 0.579 -14.148 1.00 0.00 C ATOM 1322 CD GLU A 79 2.058 1.939 -14.706 1.00 0.00 C ATOM 1323 OE1 GLU A 79 3.201 2.401 -14.499 1.00 0.00 O ATOM 1324 OE2 GLU A 79 1.190 2.560 -15.357 1.00 0.00 O ATOM 0 H GLU A 79 0.208 0.385 -10.501 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.044 -1.154 -12.856 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.249 1.305 -12.768 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.849 1.102 -12.083 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.602 -0.043 -14.129 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.994 0.091 -14.813 1.00 0.00 H new ATOM 1331 N TRP A 80 2.766 -1.518 -11.166 1.00 0.00 N ATOM 1332 CA TRP A 80 3.962 -2.347 -11.064 1.00 0.00 C ATOM 1333 C TRP A 80 3.586 -3.818 -10.922 1.00 0.00 C ATOM 1334 O TRP A 80 4.117 -4.682 -11.621 1.00 0.00 O ATOM 1335 CB TRP A 80 4.804 -1.941 -9.854 1.00 0.00 C ATOM 1336 CG TRP A 80 5.312 -0.532 -9.881 1.00 0.00 C ATOM 1337 CD1 TRP A 80 5.443 0.286 -10.965 1.00 0.00 C ATOM 1338 CD2 TRP A 80 5.780 0.214 -8.752 1.00 0.00 C ATOM 1339 NE1 TRP A 80 5.959 1.500 -10.575 1.00 0.00 N ATOM 1340 CE2 TRP A 80 6.174 1.476 -9.222 1.00 0.00 C ATOM 1341 CE3 TRP A 80 5.905 -0.069 -7.385 1.00 0.00 C ATOM 1342 CZ2 TRP A 80 6.679 2.460 -8.374 1.00 0.00 C ATOM 1343 CZ3 TRP A 80 6.406 0.909 -6.546 1.00 0.00 C ATOM 1344 CH2 TRP A 80 6.789 2.158 -7.043 1.00 0.00 C ATOM 0 H TRP A 80 2.651 -0.843 -10.410 1.00 0.00 H new ATOM 0 HA TRP A 80 4.540 -2.200 -11.977 1.00 0.00 H new ATOM 0 HB2 TRP A 80 4.207 -2.079 -8.952 1.00 0.00 H new ATOM 0 HB3 TRP A 80 5.656 -2.617 -9.779 1.00 0.00 H new ATOM 0 HD1 TRP A 80 5.181 0.020 -11.978 1.00 0.00 H new ATOM 0 HE1 TRP A 80 6.150 2.289 -11.192 1.00 0.00 H new ATOM 0 HE3 TRP A 80 5.615 -1.033 -6.994 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 6.973 3.427 -8.754 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 6.503 0.705 -5.490 1.00 0.00 H new ATOM 0 HH2 TRP A 80 7.180 2.900 -6.363 1.00 0.00 H new ATOM 1355 N HIS A 81 2.646 -4.086 -10.029 1.00 0.00 N ATOM 1356 CA HIS A 81 2.183 -5.445 -9.784 1.00 0.00 C ATOM 1357 C HIS A 81 1.372 -5.965 -10.962 1.00 0.00 C ATOM 1358 O HIS A 81 1.339 -7.167 -11.221 1.00 0.00 O ATOM 1359 CB HIS A 81 1.402 -5.523 -8.472 1.00 0.00 C ATOM 1360 CG HIS A 81 2.292 -5.371 -7.274 1.00 0.00 C ATOM 1361 ND1 HIS A 81 2.936 -6.423 -6.662 1.00 0.00 N ATOM 1362 CD2 HIS A 81 2.683 -4.255 -6.609 1.00 0.00 C ATOM 1363 CE1 HIS A 81 3.691 -5.926 -5.672 1.00 0.00 C ATOM 1364 NE2 HIS A 81 3.571 -4.614 -5.597 1.00 0.00 N ATOM 0 H HIS A 81 2.186 -3.377 -9.458 1.00 0.00 H new ATOM 0 HA HIS A 81 3.054 -6.093 -9.683 1.00 0.00 H new ATOM 0 HB2 HIS A 81 0.640 -4.744 -8.458 1.00 0.00 H new ATOM 0 HB3 HIS A 81 0.881 -6.479 -8.417 1.00 0.00 H new ATOM 0 HD1 HIS A 81 2.853 -7.407 -6.917 1.00 0.00 H new ATOM 0 HD2 HIS A 81 2.358 -3.249 -6.829 1.00 0.00 H new ATOM 0 HE1 HIS A 81 4.315 -6.521 -5.022 1.00 0.00 H new ATOM 1372 N LYS A 82 0.722 -5.054 -11.676 1.00 0.00 N ATOM 1373 CA LYS A 82 -0.004 -5.404 -12.891 1.00 0.00 C ATOM 1374 C LYS A 82 0.939 -6.059 -13.893 1.00 0.00 C ATOM 1375 O LYS A 82 0.640 -7.127 -14.434 1.00 0.00 O ATOM 1376 CB LYS A 82 -0.623 -4.142 -13.501 1.00 0.00 C ATOM 1377 CG LYS A 82 -1.204 -4.336 -14.893 1.00 0.00 C ATOM 1378 CD LYS A 82 -1.645 -3.006 -15.489 1.00 0.00 C ATOM 1379 CE LYS A 82 -2.090 -3.154 -16.934 1.00 0.00 C ATOM 1380 NZ LYS A 82 -2.537 -1.862 -17.513 1.00 0.00 N ATOM 0 H LYS A 82 0.683 -4.064 -11.434 1.00 0.00 H new ATOM 0 HA LYS A 82 -0.797 -6.109 -12.644 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -1.411 -3.782 -12.839 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.138 -3.363 -13.544 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -0.460 -4.800 -15.540 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.054 -5.017 -14.845 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -2.463 -2.596 -14.897 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -0.823 -2.293 -15.433 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.267 -3.552 -17.528 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -2.903 -3.877 -16.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.832 -2.007 -18.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -3.339 -1.494 -16.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -1.754 -1.179 -17.483 1.00 0.00 H new ATOM 1394 N ALA A 83 2.087 -5.432 -14.110 1.00 0.00 N ATOM 1395 CA ALA A 83 3.084 -5.952 -15.037 1.00 0.00 C ATOM 1396 C ALA A 83 3.725 -7.230 -14.498 1.00 0.00 C ATOM 1397 O ALA A 83 4.049 -8.140 -15.261 1.00 0.00 O ATOM 1398 CB ALA A 83 4.146 -4.897 -15.312 1.00 0.00 C ATOM 0 H ALA A 83 2.352 -4.559 -13.655 1.00 0.00 H new ATOM 0 HA ALA A 83 2.583 -6.199 -15.973 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.885 -5.297 -16.006 1.00 0.00 H new ATOM 0 HB2 ALA A 83 3.678 -4.015 -15.749 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.636 -4.622 -14.378 1.00 0.00 H new ATOM 1404 N ALA A 84 3.897 -7.291 -13.183 1.00 0.00 N ATOM 1405 CA ALA A 84 4.524 -8.442 -12.536 1.00 0.00 C ATOM 1406 C ALA A 84 3.630 -9.677 -12.582 1.00 0.00 C ATOM 1407 O ALA A 84 4.119 -10.810 -12.623 1.00 0.00 O ATOM 1408 CB ALA A 84 4.882 -8.110 -11.095 1.00 0.00 C ATOM 0 H ALA A 84 3.610 -6.554 -12.539 1.00 0.00 H new ATOM 0 HA ALA A 84 5.434 -8.671 -13.090 1.00 0.00 H new ATOM 0 HB1 ALA A 84 5.348 -8.977 -10.627 1.00 0.00 H new ATOM 0 HB2 ALA A 84 5.577 -7.271 -11.077 1.00 0.00 H new ATOM 0 HB3 ALA A 84 3.978 -7.844 -10.547 1.00 0.00 H new ATOM 1485 N ALA A 90 12.016 -13.579 -9.610 1.00 0.00 N ATOM 1486 CA ALA A 90 12.039 -13.694 -8.154 1.00 0.00 C ATOM 1487 C ALA A 90 12.643 -12.463 -7.475 1.00 0.00 C ATOM 1488 O ALA A 90 11.958 -11.766 -6.729 1.00 0.00 O ATOM 1489 CB ALA A 90 12.798 -14.947 -7.745 1.00 0.00 C ATOM 0 HA ALA A 90 11.004 -13.764 -7.819 1.00 0.00 H new ATOM 0 HB1 ALA A 90 12.811 -15.026 -6.658 1.00 0.00 H new ATOM 0 HB2 ALA A 90 12.307 -15.824 -8.167 1.00 0.00 H new ATOM 0 HB3 ALA A 90 13.821 -14.890 -8.117 1.00 0.00 H new ATOM 1495 N GLU A 91 13.918 -12.196 -7.731 1.00 0.00 N ATOM 1496 CA GLU A 91 14.605 -11.085 -7.088 1.00 0.00 C ATOM 1497 C GLU A 91 13.980 -9.750 -7.466 1.00 0.00 C ATOM 1498 O GLU A 91 13.849 -8.856 -6.633 1.00 0.00 O ATOM 1499 CB GLU A 91 16.078 -11.084 -7.461 1.00 0.00 C ATOM 1500 CG GLU A 91 16.888 -12.148 -6.744 1.00 0.00 C ATOM 1501 CD GLU A 91 18.378 -11.899 -6.843 1.00 0.00 C ATOM 1502 OE1 GLU A 91 18.914 -11.917 -7.971 1.00 0.00 O ATOM 1503 OE2 GLU A 91 19.019 -11.684 -5.788 1.00 0.00 O ATOM 0 H GLU A 91 14.495 -12.733 -8.378 1.00 0.00 H new ATOM 0 HA GLU A 91 14.505 -11.217 -6.011 1.00 0.00 H new ATOM 0 HB2 GLU A 91 16.172 -11.232 -8.537 1.00 0.00 H new ATOM 0 HB3 GLU A 91 16.500 -10.105 -7.236 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.596 -12.178 -5.694 1.00 0.00 H new ATOM 0 HG3 GLU A 91 16.656 -13.125 -7.168 1.00 0.00 H new ATOM 1510 N GLN A 92 13.601 -9.624 -8.727 1.00 0.00 N ATOM 1511 CA GLN A 92 12.939 -8.416 -9.204 1.00 0.00 C ATOM 1512 C GLN A 92 11.613 -8.210 -8.475 1.00 0.00 C ATOM 1513 O GLN A 92 11.232 -7.081 -8.172 1.00 0.00 O ATOM 1514 CB GLN A 92 12.717 -8.484 -10.718 1.00 0.00 C ATOM 1515 CG GLN A 92 14.000 -8.638 -11.528 1.00 0.00 C ATOM 1516 CD GLN A 92 14.951 -7.456 -11.398 1.00 0.00 C ATOM 1517 OE1 GLN A 92 15.010 -6.785 -10.367 1.00 0.00 O ATOM 1518 NE2 GLN A 92 15.709 -7.196 -12.454 1.00 0.00 N ATOM 0 H GLN A 92 13.739 -10.341 -9.440 1.00 0.00 H new ATOM 0 HA GLN A 92 13.585 -7.564 -8.992 1.00 0.00 H new ATOM 0 HB2 GLN A 92 12.057 -9.322 -10.940 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.203 -7.579 -11.040 1.00 0.00 H new ATOM 0 HG2 GLN A 92 14.515 -9.544 -11.208 1.00 0.00 H new ATOM 0 HG3 GLN A 92 13.742 -8.772 -12.579 1.00 0.00 H new ATOM 0 HE21 GLN A 92 15.633 -7.774 -13.291 1.00 0.00 H new ATOM 0 HE22 GLN A 92 16.369 -6.418 -12.429 1.00 0.00 H new ATOM 1527 N PHE A 93 10.928 -9.308 -8.177 1.00 0.00 N ATOM 1528 CA PHE A 93 9.689 -9.254 -7.409 1.00 0.00 C ATOM 1529 C PHE A 93 9.983 -8.844 -5.974 1.00 0.00 C ATOM 1530 O PHE A 93 9.266 -8.034 -5.387 1.00 0.00 O ATOM 1531 CB PHE A 93 8.984 -10.613 -7.431 1.00 0.00 C ATOM 1532 CG PHE A 93 7.653 -10.614 -6.738 1.00 0.00 C ATOM 1533 CD1 PHE A 93 6.574 -9.938 -7.282 1.00 0.00 C ATOM 1534 CD2 PHE A 93 7.481 -11.296 -5.545 1.00 0.00 C ATOM 1535 CE1 PHE A 93 5.348 -9.941 -6.647 1.00 0.00 C ATOM 1536 CE2 PHE A 93 6.259 -11.301 -4.906 1.00 0.00 C ATOM 1537 CZ PHE A 93 5.192 -10.624 -5.458 1.00 0.00 C ATOM 0 H PHE A 93 11.210 -10.248 -8.456 1.00 0.00 H new ATOM 0 HA PHE A 93 9.031 -8.514 -7.864 1.00 0.00 H new ATOM 0 HB2 PHE A 93 8.845 -10.923 -8.467 1.00 0.00 H new ATOM 0 HB3 PHE A 93 9.629 -11.355 -6.960 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.693 -9.403 -8.213 1.00 0.00 H new ATOM 0 HD2 PHE A 93 8.313 -11.830 -5.110 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.513 -9.410 -7.080 1.00 0.00 H new ATOM 0 HE2 PHE A 93 6.138 -11.834 -3.975 1.00 0.00 H new ATOM 0 HZ PHE A 93 4.234 -10.628 -4.960 1.00 0.00 H new ATOM 1547 N ALA A 94 11.049 -9.402 -5.416 1.00 0.00 N ATOM 1548 CA ALA A 94 11.481 -9.048 -4.071 1.00 0.00 C ATOM 1549 C ALA A 94 11.837 -7.568 -3.986 1.00 0.00 C ATOM 1550 O ALA A 94 11.546 -6.904 -2.990 1.00 0.00 O ATOM 1551 CB ALA A 94 12.666 -9.902 -3.654 1.00 0.00 C ATOM 0 H ALA A 94 11.631 -10.103 -5.875 1.00 0.00 H new ATOM 0 HA ALA A 94 10.654 -9.239 -3.387 1.00 0.00 H new ATOM 0 HB1 ALA A 94 12.977 -9.625 -2.647 1.00 0.00 H new ATOM 0 HB2 ALA A 94 12.380 -10.954 -3.670 1.00 0.00 H new ATOM 0 HB3 ALA A 94 13.492 -9.740 -4.346 1.00 0.00 H new ATOM 1557 N SER A 95 12.466 -7.053 -5.035 1.00 0.00 N ATOM 1558 CA SER A 95 12.800 -5.641 -5.102 1.00 0.00 C ATOM 1559 C SER A 95 11.540 -4.812 -5.328 1.00 0.00 C ATOM 1560 O SER A 95 11.423 -3.697 -4.829 1.00 0.00 O ATOM 1561 CB SER A 95 13.815 -5.380 -6.214 1.00 0.00 C ATOM 1562 OG SER A 95 14.276 -4.038 -6.177 1.00 0.00 O ATOM 0 H SER A 95 12.754 -7.594 -5.850 1.00 0.00 H new ATOM 0 HA SER A 95 13.248 -5.346 -4.153 1.00 0.00 H new ATOM 0 HB2 SER A 95 14.659 -6.061 -6.108 1.00 0.00 H new ATOM 0 HB3 SER A 95 13.359 -5.585 -7.183 1.00 0.00 H new ATOM 0 HG SER A 95 14.925 -3.895 -6.897 1.00 0.00 H new ATOM 1568 N LEU A 96 10.593 -5.372 -6.071 1.00 0.00 N ATOM 1569 CA LEU A 96 9.305 -4.725 -6.287 1.00 0.00 C ATOM 1570 C LEU A 96 8.615 -4.502 -4.952 1.00 0.00 C ATOM 1571 O LEU A 96 8.115 -3.413 -4.667 1.00 0.00 O ATOM 1572 CB LEU A 96 8.421 -5.590 -7.193 1.00 0.00 C ATOM 1573 CG LEU A 96 6.989 -5.087 -7.393 1.00 0.00 C ATOM 1574 CD1 LEU A 96 6.998 -3.667 -7.932 1.00 0.00 C ATOM 1575 CD2 LEU A 96 6.233 -6.010 -8.336 1.00 0.00 C ATOM 0 H LEU A 96 10.693 -6.275 -6.535 1.00 0.00 H new ATOM 0 HA LEU A 96 9.469 -3.764 -6.774 1.00 0.00 H new ATOM 0 HB2 LEU A 96 8.899 -5.669 -8.169 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.379 -6.596 -6.776 1.00 0.00 H new ATOM 0 HG LEU A 96 6.481 -5.086 -6.428 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.973 -3.323 -8.069 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.509 -3.013 -7.225 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.519 -3.644 -8.889 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.216 -5.641 -8.469 1.00 0.00 H new ATOM 0 HD22 LEU A 96 6.739 -6.037 -9.301 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.202 -7.015 -7.914 1.00 0.00 H new ATOM 1587 N VAL A 97 8.611 -5.544 -4.137 1.00 0.00 N ATOM 1588 CA VAL A 97 8.073 -5.466 -2.791 1.00 0.00 C ATOM 1589 C VAL A 97 8.834 -4.422 -1.970 1.00 0.00 C ATOM 1590 O VAL A 97 8.239 -3.687 -1.184 1.00 0.00 O ATOM 1591 CB VAL A 97 8.142 -6.839 -2.086 1.00 0.00 C ATOM 1592 CG1 VAL A 97 7.627 -6.746 -0.658 1.00 0.00 C ATOM 1593 CG2 VAL A 97 7.352 -7.875 -2.868 1.00 0.00 C ATOM 0 H VAL A 97 8.978 -6.462 -4.389 1.00 0.00 H new ATOM 0 HA VAL A 97 7.027 -5.168 -2.866 1.00 0.00 H new ATOM 0 HB VAL A 97 9.186 -7.149 -2.049 1.00 0.00 H new ATOM 0 HG11 VAL A 97 7.687 -7.726 -0.185 1.00 0.00 H new ATOM 0 HG12 VAL A 97 8.234 -6.035 -0.098 1.00 0.00 H new ATOM 0 HG13 VAL A 97 6.590 -6.410 -0.666 1.00 0.00 H new ATOM 0 HG21 VAL A 97 7.410 -8.837 -2.359 1.00 0.00 H new ATOM 0 HG22 VAL A 97 6.310 -7.563 -2.936 1.00 0.00 H new ATOM 0 HG23 VAL A 97 7.769 -7.969 -3.871 1.00 0.00 H new ATOM 1603 N GLN A 98 10.147 -4.350 -2.181 1.00 0.00 N ATOM 1604 CA GLN A 98 10.990 -3.400 -1.462 1.00 0.00 C ATOM 1605 C GLN A 98 10.640 -1.953 -1.824 1.00 0.00 C ATOM 1606 O GLN A 98 10.449 -1.121 -0.936 1.00 0.00 O ATOM 1607 CB GLN A 98 12.466 -3.676 -1.761 1.00 0.00 C ATOM 1608 CG GLN A 98 13.409 -2.622 -1.209 1.00 0.00 C ATOM 1609 CD GLN A 98 14.861 -2.944 -1.492 1.00 0.00 C ATOM 1610 OE1 GLN A 98 15.184 -3.613 -2.476 1.00 0.00 O ATOM 1611 NE2 GLN A 98 15.749 -2.454 -0.642 1.00 0.00 N ATOM 0 H GLN A 98 10.649 -4.939 -2.845 1.00 0.00 H new ATOM 0 HA GLN A 98 10.808 -3.531 -0.395 1.00 0.00 H new ATOM 0 HB2 GLN A 98 12.736 -4.646 -1.345 1.00 0.00 H new ATOM 0 HB3 GLN A 98 12.602 -3.743 -2.840 1.00 0.00 H new ATOM 0 HG2 GLN A 98 13.163 -1.654 -1.644 1.00 0.00 H new ATOM 0 HG3 GLN A 98 13.262 -2.534 -0.133 1.00 0.00 H new ATOM 0 HE21 GLN A 98 15.439 -1.905 0.160 1.00 0.00 H new ATOM 0 HE22 GLN A 98 16.744 -2.625 -0.789 1.00 0.00 H new ATOM 1620 N GLN A 99 10.520 -1.661 -3.120 1.00 0.00 N ATOM 1621 CA GLN A 99 10.165 -0.313 -3.557 1.00 0.00 C ATOM 1622 C GLN A 99 8.773 0.053 -3.064 1.00 0.00 C ATOM 1623 O GLN A 99 8.545 1.165 -2.583 1.00 0.00 O ATOM 1624 CB GLN A 99 10.225 -0.173 -5.086 1.00 0.00 C ATOM 1625 CG GLN A 99 11.605 0.179 -5.633 1.00 0.00 C ATOM 1626 CD GLN A 99 12.548 -1.006 -5.706 1.00 0.00 C ATOM 1627 OE1 GLN A 99 13.280 -1.299 -4.761 1.00 0.00 O ATOM 1628 NE2 GLN A 99 12.542 -1.690 -6.842 1.00 0.00 N ATOM 0 H GLN A 99 10.662 -2.331 -3.876 1.00 0.00 H new ATOM 0 HA GLN A 99 10.897 0.371 -3.127 1.00 0.00 H new ATOM 0 HB2 GLN A 99 9.897 -1.109 -5.538 1.00 0.00 H new ATOM 0 HB3 GLN A 99 9.518 0.596 -5.396 1.00 0.00 H new ATOM 0 HG2 GLN A 99 11.494 0.606 -6.630 1.00 0.00 H new ATOM 0 HG3 GLN A 99 12.051 0.949 -5.004 1.00 0.00 H new ATOM 0 HE21 GLN A 99 11.919 -1.413 -7.601 1.00 0.00 H new ATOM 0 HE22 GLN A 99 13.160 -2.493 -6.957 1.00 0.00 H new ATOM 1637 N HIS A 100 7.855 -0.899 -3.177 1.00 0.00 N ATOM 1638 CA HIS A 100 6.487 -0.712 -2.722 1.00 0.00 C ATOM 1639 C HIS A 100 6.466 -0.435 -1.216 1.00 0.00 C ATOM 1640 O HIS A 100 5.810 0.499 -0.754 1.00 0.00 O ATOM 1641 CB HIS A 100 5.665 -1.967 -3.051 1.00 0.00 C ATOM 1642 CG HIS A 100 4.180 -1.777 -2.983 1.00 0.00 C ATOM 1643 ND1 HIS A 100 3.281 -2.532 -3.700 1.00 0.00 N ATOM 1644 CD2 HIS A 100 3.440 -0.903 -2.261 1.00 0.00 C ATOM 1645 CE1 HIS A 100 2.051 -2.105 -3.399 1.00 0.00 C ATOM 1646 NE2 HIS A 100 2.091 -1.111 -2.529 1.00 0.00 N ATOM 0 H HIS A 100 8.038 -1.816 -3.584 1.00 0.00 H new ATOM 0 HA HIS A 100 6.048 0.145 -3.233 1.00 0.00 H new ATOM 0 HB2 HIS A 100 5.929 -2.306 -4.053 1.00 0.00 H new ATOM 0 HB3 HIS A 100 5.948 -2.762 -2.361 1.00 0.00 H new ATOM 0 HD1 HIS A 100 3.513 -3.285 -4.348 1.00 0.00 H new ATOM 0 HD2 HIS A 100 3.835 -0.161 -1.583 1.00 0.00 H new ATOM 0 HE1 HIS A 100 1.143 -2.518 -3.813 1.00 0.00 H new ATOM 1654 N LEU A 101 7.211 -1.242 -0.470 1.00 0.00 N ATOM 1655 CA LEU A 101 7.258 -1.141 0.985 1.00 0.00 C ATOM 1656 C LEU A 101 7.722 0.242 1.436 1.00 0.00 C ATOM 1657 O LEU A 101 7.083 0.871 2.282 1.00 0.00 O ATOM 1658 CB LEU A 101 8.194 -2.216 1.548 1.00 0.00 C ATOM 1659 CG LEU A 101 8.242 -2.308 3.073 1.00 0.00 C ATOM 1660 CD1 LEU A 101 6.872 -2.652 3.634 1.00 0.00 C ATOM 1661 CD2 LEU A 101 9.270 -3.340 3.511 1.00 0.00 C ATOM 0 H LEU A 101 7.798 -1.983 -0.854 1.00 0.00 H new ATOM 0 HA LEU A 101 6.249 -1.295 1.367 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.888 -3.184 1.152 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.202 -2.025 1.180 1.00 0.00 H new ATOM 0 HG LEU A 101 8.538 -1.335 3.465 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.929 -2.713 4.721 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.158 -1.879 3.350 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.545 -3.612 3.234 1.00 0.00 H new ATOM 0 HD21 LEU A 101 9.291 -3.393 4.600 1.00 0.00 H new ATOM 0 HD22 LEU A 101 9.002 -4.316 3.105 1.00 0.00 H new ATOM 0 HD23 LEU A 101 10.255 -3.052 3.142 1.00 0.00 H new ATOM 1673 N GLN A 102 8.819 0.715 0.853 1.00 0.00 N ATOM 1674 CA GLN A 102 9.400 1.986 1.215 1.00 0.00 C ATOM 1675 C GLN A 102 8.411 3.135 1.021 1.00 0.00 C ATOM 1676 O GLN A 102 8.377 4.077 1.818 1.00 0.00 O ATOM 1677 CB GLN A 102 10.641 2.211 0.366 1.00 0.00 C ATOM 1678 CG GLN A 102 11.749 1.200 0.611 1.00 0.00 C ATOM 1679 CD GLN A 102 12.330 1.276 2.009 1.00 0.00 C ATOM 1680 OE1 GLN A 102 13.289 2.008 2.255 1.00 0.00 O ATOM 1681 NE2 GLN A 102 11.763 0.516 2.931 1.00 0.00 N ATOM 0 H GLN A 102 9.324 0.221 0.117 1.00 0.00 H new ATOM 0 HA GLN A 102 9.664 1.964 2.272 1.00 0.00 H new ATOM 0 HB2 GLN A 102 10.360 2.178 -0.687 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.026 3.212 0.562 1.00 0.00 H new ATOM 0 HG2 GLN A 102 11.360 0.196 0.441 1.00 0.00 H new ATOM 0 HG3 GLN A 102 12.546 1.361 -0.115 1.00 0.00 H new ATOM 0 HE21 GLN A 102 10.970 -0.077 2.686 1.00 0.00 H new ATOM 0 HE22 GLN A 102 12.119 0.523 3.887 1.00 0.00 H new ATOM 1690 N ASP A 103 7.607 3.054 -0.033 1.00 0.00 N ATOM 1691 CA ASP A 103 6.632 4.097 -0.328 1.00 0.00 C ATOM 1692 C ASP A 103 5.522 4.092 0.714 1.00 0.00 C ATOM 1693 O ASP A 103 5.111 5.139 1.209 1.00 0.00 O ATOM 1694 CB ASP A 103 6.021 3.905 -1.718 1.00 0.00 C ATOM 1695 CG ASP A 103 5.591 5.218 -2.352 1.00 0.00 C ATOM 1696 OD1 ASP A 103 5.880 6.289 -1.777 1.00 0.00 O ATOM 1697 OD2 ASP A 103 4.978 5.183 -3.440 1.00 0.00 O ATOM 0 H ASP A 103 7.611 2.279 -0.696 1.00 0.00 H new ATOM 0 HA ASP A 103 7.153 5.054 -0.304 1.00 0.00 H new ATOM 0 HB2 ASP A 103 6.747 3.413 -2.366 1.00 0.00 H new ATOM 0 HB3 ASP A 103 5.159 3.242 -1.644 1.00 0.00 H new ATOM 1702 N GLU A 104 5.050 2.897 1.057 1.00 0.00 N ATOM 1703 CA GLU A 104 3.943 2.756 1.997 1.00 0.00 C ATOM 1704 C GLU A 104 4.332 3.244 3.389 1.00 0.00 C ATOM 1705 O GLU A 104 3.525 3.869 4.081 1.00 0.00 O ATOM 1706 CB GLU A 104 3.462 1.302 2.063 1.00 0.00 C ATOM 1707 CG GLU A 104 3.073 0.717 0.709 1.00 0.00 C ATOM 1708 CD GLU A 104 1.915 1.439 0.038 1.00 0.00 C ATOM 1709 OE1 GLU A 104 1.579 2.569 0.449 1.00 0.00 O ATOM 1710 OE2 GLU A 104 1.332 0.886 -0.923 1.00 0.00 O ATOM 0 H GLU A 104 5.416 2.015 0.699 1.00 0.00 H new ATOM 0 HA GLU A 104 3.125 3.378 1.633 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.250 0.689 2.500 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.604 1.244 2.733 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.939 0.747 0.048 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.808 -0.332 0.840 1.00 0.00 H new ATOM 1717 N GLN A 105 5.569 2.971 3.793 1.00 0.00 N ATOM 1718 CA GLN A 105 6.084 3.452 5.063 1.00 0.00 C ATOM 1719 C GLN A 105 6.084 4.979 5.081 1.00 0.00 C ATOM 1720 O GLN A 105 5.806 5.607 6.103 1.00 0.00 O ATOM 1721 CB GLN A 105 7.504 2.929 5.276 1.00 0.00 C ATOM 1722 CG GLN A 105 7.615 1.412 5.276 1.00 0.00 C ATOM 1723 CD GLN A 105 9.046 0.929 5.438 1.00 0.00 C ATOM 1724 OE1 GLN A 105 9.429 -0.108 4.902 1.00 0.00 O ATOM 1725 NE2 GLN A 105 9.840 1.660 6.205 1.00 0.00 N ATOM 0 H GLN A 105 6.233 2.416 3.253 1.00 0.00 H new ATOM 0 HA GLN A 105 5.445 3.089 5.868 1.00 0.00 H new ATOM 0 HB2 GLN A 105 8.148 3.329 4.493 1.00 0.00 H new ATOM 0 HB3 GLN A 105 7.881 3.310 6.225 1.00 0.00 H new ATOM 0 HG2 GLN A 105 7.006 1.007 6.084 1.00 0.00 H new ATOM 0 HG3 GLN A 105 7.208 1.022 4.343 1.00 0.00 H new ATOM 0 HE21 GLN A 105 9.488 2.516 6.634 1.00 0.00 H new ATOM 0 HE22 GLN A 105 10.804 1.367 6.367 1.00 0.00 H new ATOM 1734 N ARG A 106 6.385 5.555 3.926 1.00 0.00 N ATOM 1735 CA ARG A 106 6.428 6.999 3.753 1.00 0.00 C ATOM 1736 C ARG A 106 5.026 7.599 3.825 1.00 0.00 C ATOM 1737 O ARG A 106 4.839 8.672 4.388 1.00 0.00 O ATOM 1738 CB ARG A 106 7.085 7.316 2.407 1.00 0.00 C ATOM 1739 CG ARG A 106 7.068 8.782 2.021 1.00 0.00 C ATOM 1740 CD ARG A 106 7.686 8.985 0.647 1.00 0.00 C ATOM 1741 NE ARG A 106 7.562 10.361 0.175 1.00 0.00 N ATOM 1742 CZ ARG A 106 7.833 10.742 -1.072 1.00 0.00 C ATOM 1743 NH1 ARG A 106 8.282 9.859 -1.959 1.00 0.00 N ATOM 1744 NH2 ARG A 106 7.650 12.006 -1.434 1.00 0.00 N ATOM 0 H ARG A 106 6.607 5.031 3.079 1.00 0.00 H new ATOM 0 HA ARG A 106 7.014 7.442 4.558 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.120 6.974 2.434 1.00 0.00 H new ATOM 0 HB3 ARG A 106 6.580 6.744 1.629 1.00 0.00 H new ATOM 0 HG2 ARG A 106 6.042 9.151 2.022 1.00 0.00 H new ATOM 0 HG3 ARG A 106 7.617 9.364 2.761 1.00 0.00 H new ATOM 0 HD2 ARG A 106 8.740 8.710 0.682 1.00 0.00 H new ATOM 0 HD3 ARG A 106 7.206 8.315 -0.066 1.00 0.00 H new ATOM 0 HE ARG A 106 7.250 11.071 0.838 1.00 0.00 H new ATOM 0 HH11 ARG A 106 8.420 8.886 -1.685 1.00 0.00 H new ATOM 0 HH12 ARG A 106 8.488 10.155 -2.913 1.00 0.00 H new ATOM 0 HH21 ARG A 106 7.302 12.685 -0.757 1.00 0.00 H new ATOM 0 HH22 ARG A 106 7.857 12.298 -2.389 1.00 0.00 H new ATOM 1758 N HIS A 107 4.046 6.895 3.268 1.00 0.00 N ATOM 1759 CA HIS A 107 2.656 7.341 3.326 1.00 0.00 C ATOM 1760 C HIS A 107 2.219 7.491 4.776 1.00 0.00 C ATOM 1761 O HIS A 107 1.601 8.485 5.149 1.00 0.00 O ATOM 1762 CB HIS A 107 1.725 6.355 2.604 1.00 0.00 C ATOM 1763 CG HIS A 107 1.972 6.246 1.130 1.00 0.00 C ATOM 1764 ND1 HIS A 107 1.421 5.229 0.379 1.00 0.00 N ATOM 1765 CD2 HIS A 107 2.707 7.047 0.320 1.00 0.00 C ATOM 1766 CE1 HIS A 107 1.837 5.440 -0.861 1.00 0.00 C ATOM 1767 NE2 HIS A 107 2.615 6.528 -0.943 1.00 0.00 N ATOM 0 H HIS A 107 4.187 6.015 2.772 1.00 0.00 H new ATOM 0 HA HIS A 107 2.590 8.305 2.822 1.00 0.00 H new ATOM 0 HB2 HIS A 107 1.839 5.369 3.054 1.00 0.00 H new ATOM 0 HB3 HIS A 107 0.692 6.662 2.766 1.00 0.00 H new ATOM 0 HD1 HIS A 107 0.820 4.474 0.709 1.00 0.00 H new ATOM 0 HD2 HIS A 107 3.260 7.927 0.615 1.00 0.00 H new ATOM 0 HE1 HIS A 107 1.581 4.813 -1.702 1.00 0.00 H new ATOM 1775 N VAL A 108 2.562 6.500 5.593 1.00 0.00 N ATOM 1776 CA VAL A 108 2.289 6.564 7.025 1.00 0.00 C ATOM 1777 C VAL A 108 3.021 7.751 7.643 1.00 0.00 C ATOM 1778 O VAL A 108 2.454 8.502 8.435 1.00 0.00 O ATOM 1779 CB VAL A 108 2.710 5.262 7.744 1.00 0.00 C ATOM 1780 CG1 VAL A 108 2.389 5.329 9.232 1.00 0.00 C ATOM 1781 CG2 VAL A 108 2.032 4.060 7.105 1.00 0.00 C ATOM 0 H VAL A 108 3.028 5.645 5.289 1.00 0.00 H new ATOM 0 HA VAL A 108 1.214 6.688 7.152 1.00 0.00 H new ATOM 0 HB VAL A 108 3.789 5.151 7.638 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.696 4.400 9.713 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.925 6.165 9.682 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.317 5.470 9.367 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.339 3.151 7.623 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.950 4.171 7.178 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.320 3.995 6.056 1.00 0.00 H new ATOM 1791 N GLU A 109 4.272 7.935 7.236 1.00 0.00 N ATOM 1792 CA GLU A 109 5.093 9.041 7.703 1.00 0.00 C ATOM 1793 C GLU A 109 4.425 10.385 7.414 1.00 0.00 C ATOM 1794 O GLU A 109 4.508 11.317 8.219 1.00 0.00 O ATOM 1795 CB GLU A 109 6.463 8.972 7.024 1.00 0.00 C ATOM 1796 CG GLU A 109 7.400 7.951 7.645 1.00 0.00 C ATOM 1797 CD GLU A 109 7.771 8.295 9.072 1.00 0.00 C ATOM 1798 OE1 GLU A 109 6.970 8.019 9.989 1.00 0.00 O ATOM 1799 OE2 GLU A 109 8.873 8.840 9.286 1.00 0.00 O ATOM 0 H GLU A 109 4.744 7.320 6.573 1.00 0.00 H new ATOM 0 HA GLU A 109 5.214 8.957 8.783 1.00 0.00 H new ATOM 0 HB2 GLU A 109 6.325 8.732 5.970 1.00 0.00 H new ATOM 0 HB3 GLU A 109 6.931 9.956 7.068 1.00 0.00 H new ATOM 0 HG2 GLU A 109 6.928 6.969 7.623 1.00 0.00 H new ATOM 0 HG3 GLU A 109 8.307 7.882 7.044 1.00 0.00 H new ATOM 1806 N GLU A 110 3.769 10.468 6.267 1.00 0.00 N ATOM 1807 CA GLU A 110 3.058 11.661 5.860 1.00 0.00 C ATOM 1808 C GLU A 110 1.787 11.869 6.692 1.00 0.00 C ATOM 1809 O GLU A 110 1.558 12.952 7.231 1.00 0.00 O ATOM 1810 CB GLU A 110 2.718 11.544 4.374 1.00 0.00 C ATOM 1811 CG GLU A 110 3.945 11.519 3.476 1.00 0.00 C ATOM 1812 CD GLU A 110 3.600 11.473 2.002 1.00 0.00 C ATOM 1813 OE1 GLU A 110 3.449 10.365 1.449 1.00 0.00 O ATOM 1814 OE2 GLU A 110 3.501 12.552 1.381 1.00 0.00 O ATOM 0 H GLU A 110 3.717 9.705 5.592 1.00 0.00 H new ATOM 0 HA GLU A 110 3.694 12.530 6.028 1.00 0.00 H new ATOM 0 HB2 GLU A 110 2.139 10.635 4.211 1.00 0.00 H new ATOM 0 HB3 GLU A 110 2.083 12.382 4.087 1.00 0.00 H new ATOM 0 HG2 GLU A 110 4.551 12.403 3.674 1.00 0.00 H new ATOM 0 HG3 GLU A 110 4.555 10.651 3.728 1.00 0.00 H new ATOM 1821 N ILE A 111 0.986 10.814 6.825 1.00 0.00 N ATOM 1822 CA ILE A 111 -0.311 10.907 7.500 1.00 0.00 C ATOM 1823 C ILE A 111 -0.163 11.200 8.997 1.00 0.00 C ATOM 1824 O ILE A 111 -0.944 11.975 9.561 1.00 0.00 O ATOM 1825 CB ILE A 111 -1.137 9.611 7.308 1.00 0.00 C ATOM 1826 CG1 ILE A 111 -1.367 9.346 5.817 1.00 0.00 C ATOM 1827 CG2 ILE A 111 -2.471 9.704 8.044 1.00 0.00 C ATOM 1828 CD1 ILE A 111 -2.097 8.052 5.531 1.00 0.00 C ATOM 0 H ILE A 111 1.211 9.883 6.475 1.00 0.00 H new ATOM 0 HA ILE A 111 -0.839 11.742 7.039 1.00 0.00 H new ATOM 0 HB ILE A 111 -0.573 8.779 7.730 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -1.936 10.174 5.394 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -0.403 9.329 5.308 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -3.034 8.783 7.895 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -2.290 9.850 9.109 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -3.043 10.546 7.655 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -2.222 7.935 4.455 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -1.520 7.214 5.922 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -3.076 8.073 6.010 1.00 0.00 H new ATOM 1840 N GLU A 112 0.845 10.601 9.627 1.00 0.00 N ATOM 1841 CA GLU A 112 1.047 10.714 11.063 1.00 0.00 C ATOM 1842 C GLU A 112 1.315 12.151 11.517 1.00 0.00 C ATOM 1843 O GLU A 112 1.031 12.506 12.663 1.00 0.00 O ATOM 1844 CB GLU A 112 2.210 9.815 11.478 1.00 0.00 C ATOM 1845 CG GLU A 112 1.875 8.333 11.459 1.00 0.00 C ATOM 1846 CD GLU A 112 0.802 7.958 12.460 1.00 0.00 C ATOM 1847 OE1 GLU A 112 1.142 7.724 13.644 1.00 0.00 O ATOM 1848 OE2 GLU A 112 -0.382 7.878 12.078 1.00 0.00 O ATOM 0 H GLU A 112 1.542 10.025 9.154 1.00 0.00 H new ATOM 0 HA GLU A 112 0.123 10.398 11.548 1.00 0.00 H new ATOM 0 HB2 GLU A 112 3.053 9.996 10.811 1.00 0.00 H new ATOM 0 HB3 GLU A 112 2.532 10.093 12.482 1.00 0.00 H new ATOM 0 HG2 GLU A 112 1.545 8.053 10.459 1.00 0.00 H new ATOM 0 HG3 GLU A 112 2.777 7.759 11.669 1.00 0.00 H new