USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 521 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 Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl -126:sc= -0.805 (180deg=-3.65!) USER MOD Single : A 20 TYR OH : rot 180:sc=-0.00224 USER MOD Single : A 21 SER OG : rot -145:sc= -1.3! USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot -15:sc= 0.00574 USER MOD Single : A 47 GLN : amide:sc=-0.00356 X(o=-0.0036,f=0) USER MOD Single : A 61 TYR OH : rot 90:sc= 0.433 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -111:sc= -3.48! (180deg=-8!) USER MOD Single : A 72 HIS : no HD1:sc= -5.69! C(o=-5.7!,f=-5.1!) USER MOD Single : A 73 SER OG : rot 25:sc= -1.8! USER MOD Single : A 74 HIS : no HE2:sc= -7.04! C(o=-7!,f=-11!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 62 N LEU A 8 13.921 -2.719 2.051 1.00 0.00 N ATOM 63 CA LEU A 8 13.091 -1.530 2.156 1.00 0.00 C ATOM 64 C LEU A 8 11.850 -1.703 1.278 1.00 0.00 C ATOM 65 O LEU A 8 10.724 -1.567 1.755 1.00 0.00 O ATOM 66 CB LEU A 8 13.906 -0.277 1.831 1.00 0.00 C ATOM 67 CG LEU A 8 14.561 0.426 3.022 1.00 0.00 C ATOM 68 CD1 LEU A 8 15.140 1.780 2.609 1.00 0.00 C ATOM 69 CD2 LEU A 8 13.579 0.554 4.188 1.00 0.00 C ATOM 0 HA LEU A 8 12.742 -1.397 3.180 1.00 0.00 H new ATOM 0 HB2 LEU A 8 14.687 -0.550 1.121 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.253 0.436 1.328 1.00 0.00 H new ATOM 0 HG LEU A 8 15.393 -0.188 3.367 1.00 0.00 H new ATOM 0 HD11 LEU A 8 15.599 2.258 3.474 1.00 0.00 H new ATOM 0 HD12 LEU A 8 15.892 1.633 1.834 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.342 2.415 2.225 1.00 0.00 H new ATOM 0 HD21 LEU A 8 14.068 1.057 5.022 1.00 0.00 H new ATOM 0 HD22 LEU A 8 12.713 1.135 3.872 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.256 -0.438 4.502 1.00 0.00 H new ATOM 80 N ARG A 9 12.098 -1.998 0.010 1.00 0.00 N ATOM 81 CA ARG A 9 11.013 -2.190 -0.938 1.00 0.00 C ATOM 82 C ARG A 9 10.196 -3.429 -0.567 1.00 0.00 C ATOM 83 O ARG A 9 8.977 -3.446 -0.733 1.00 0.00 O ATOM 84 CB ARG A 9 11.549 -2.348 -2.362 1.00 0.00 C ATOM 85 CG ARG A 9 10.404 -2.445 -3.372 1.00 0.00 C ATOM 86 CD ARG A 9 10.607 -3.631 -4.318 1.00 0.00 C ATOM 87 NE ARG A 9 11.839 -3.437 -5.116 1.00 0.00 N ATOM 88 CZ ARG A 9 13.014 -4.015 -4.833 1.00 0.00 C ATOM 89 NH1 ARG A 9 13.125 -4.826 -3.773 1.00 0.00 N ATOM 90 NH2 ARG A 9 14.079 -3.781 -5.613 1.00 0.00 N ATOM 0 H ARG A 9 13.033 -2.109 -0.383 1.00 0.00 H new ATOM 0 HA ARG A 9 10.376 -1.306 -0.897 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.187 -1.500 -2.610 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.170 -3.242 -2.424 1.00 0.00 H new ATOM 0 HG2 ARG A 9 9.457 -2.554 -2.844 1.00 0.00 H new ATOM 0 HG3 ARG A 9 10.343 -1.522 -3.948 1.00 0.00 H new ATOM 0 HD2 ARG A 9 10.677 -4.556 -3.745 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.747 -3.730 -4.980 1.00 0.00 H new ATOM 0 HE ARG A 9 11.790 -2.826 -5.931 1.00 0.00 H new ATOM 0 HH11 ARG A 9 12.314 -5.004 -3.180 1.00 0.00 H new ATOM 0 HH12 ARG A 9 14.020 -5.265 -3.559 1.00 0.00 H new ATOM 0 HH21 ARG A 9 13.994 -3.164 -6.421 1.00 0.00 H new ATOM 0 HH22 ARG A 9 14.974 -4.220 -5.399 1.00 0.00 H new ATOM 101 N LYS A 10 10.901 -4.437 -0.073 1.00 0.00 N ATOM 102 CA LYS A 10 10.256 -5.677 0.322 1.00 0.00 C ATOM 103 C LYS A 10 9.383 -5.424 1.553 1.00 0.00 C ATOM 104 O LYS A 10 8.391 -6.118 1.769 1.00 0.00 O ATOM 105 CB LYS A 10 11.296 -6.781 0.522 1.00 0.00 C ATOM 106 CG LYS A 10 10.685 -7.986 1.241 1.00 0.00 C ATOM 107 CD LYS A 10 9.480 -8.532 0.471 1.00 0.00 C ATOM 108 CE LYS A 10 9.928 -9.401 -0.705 1.00 0.00 C ATOM 109 NZ LYS A 10 9.649 -10.828 -0.431 1.00 0.00 N ATOM 0 H LYS A 10 11.912 -4.420 0.062 1.00 0.00 H new ATOM 0 HA LYS A 10 9.596 -6.032 -0.469 1.00 0.00 H new ATOM 0 HB2 LYS A 10 11.692 -7.092 -0.445 1.00 0.00 H new ATOM 0 HB3 LYS A 10 12.135 -6.395 1.101 1.00 0.00 H new ATOM 0 HG2 LYS A 10 11.436 -8.768 1.350 1.00 0.00 H new ATOM 0 HG3 LYS A 10 10.378 -7.697 2.246 1.00 0.00 H new ATOM 0 HD2 LYS A 10 8.851 -9.118 1.141 1.00 0.00 H new ATOM 0 HD3 LYS A 10 8.872 -7.704 0.105 1.00 0.00 H new ATOM 0 HE2 LYS A 10 9.410 -9.091 -1.612 1.00 0.00 H new ATOM 0 HE3 LYS A 10 10.994 -9.261 -0.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 9.959 -11.404 -1.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 10.163 -11.125 0.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 8.628 -10.960 -0.284 1.00 0.00 H new ATOM 119 N MET A 11 9.786 -4.428 2.329 1.00 0.00 N ATOM 120 CA MET A 11 9.053 -4.075 3.534 1.00 0.00 C ATOM 121 C MET A 11 7.708 -3.436 3.189 1.00 0.00 C ATOM 122 O MET A 11 6.668 -3.857 3.696 1.00 0.00 O ATOM 123 CB MET A 11 9.884 -3.098 4.368 1.00 0.00 C ATOM 124 CG MET A 11 11.094 -3.798 4.990 1.00 0.00 C ATOM 125 SD MET A 11 11.069 -3.599 6.764 1.00 0.00 S ATOM 126 CE MET A 11 11.747 -1.953 6.901 1.00 0.00 C ATOM 0 H MET A 11 10.610 -3.855 2.147 1.00 0.00 H new ATOM 0 HA MET A 11 8.866 -4.985 4.104 1.00 0.00 H new ATOM 0 HB2 MET A 11 10.220 -2.273 3.740 1.00 0.00 H new ATOM 0 HB3 MET A 11 9.264 -2.668 5.155 1.00 0.00 H new ATOM 0 HG2 MET A 11 11.083 -4.858 4.734 1.00 0.00 H new ATOM 0 HG3 MET A 11 12.015 -3.382 4.582 1.00 0.00 H new ATOM 0 HE1 MET A 11 12.602 -1.967 7.577 1.00 0.00 H new ATOM 0 HE2 MET A 11 12.067 -1.608 5.918 1.00 0.00 H new ATOM 0 HE3 MET A 11 10.986 -1.278 7.292 1.00 0.00 H new ATOM 134 N VAL A 12 7.768 -2.431 2.328 1.00 0.00 N ATOM 135 CA VAL A 12 6.566 -1.730 1.910 1.00 0.00 C ATOM 136 C VAL A 12 5.767 -2.621 0.956 1.00 0.00 C ATOM 137 O VAL A 12 4.549 -2.486 0.850 1.00 0.00 O ATOM 138 CB VAL A 12 6.936 -0.378 1.296 1.00 0.00 C ATOM 139 CG1 VAL A 12 8.164 -0.504 0.391 1.00 0.00 C ATOM 140 CG2 VAL A 12 5.752 0.220 0.534 1.00 0.00 C ATOM 0 H VAL A 12 8.631 -2.085 1.908 1.00 0.00 H new ATOM 0 HA VAL A 12 5.929 -1.519 2.769 1.00 0.00 H new ATOM 0 HB VAL A 12 7.188 0.302 2.110 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.405 0.471 -0.032 1.00 0.00 H new ATOM 0 HG12 VAL A 12 9.010 -0.866 0.975 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.952 -1.207 -0.415 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.041 1.180 0.108 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.455 -0.458 -0.266 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.915 0.364 1.217 1.00 0.00 H new ATOM 150 N GLU A 13 6.486 -3.511 0.288 1.00 0.00 N ATOM 151 CA GLU A 13 5.859 -4.424 -0.653 1.00 0.00 C ATOM 152 C GLU A 13 4.636 -5.088 -0.015 1.00 0.00 C ATOM 153 O GLU A 13 3.596 -5.226 -0.656 1.00 0.00 O ATOM 154 CB GLU A 13 6.857 -5.473 -1.147 1.00 0.00 C ATOM 155 CG GLU A 13 7.639 -4.959 -2.356 1.00 0.00 C ATOM 156 CD GLU A 13 7.147 -5.617 -3.647 1.00 0.00 C ATOM 157 OE1 GLU A 13 6.639 -6.755 -3.547 1.00 0.00 O ATOM 158 OE2 GLU A 13 7.291 -4.966 -4.705 1.00 0.00 O ATOM 0 H GLU A 13 7.496 -3.619 0.379 1.00 0.00 H new ATOM 0 HA GLU A 13 5.526 -3.851 -1.518 1.00 0.00 H new ATOM 0 HB2 GLU A 13 7.548 -5.729 -0.344 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.327 -6.387 -1.414 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.530 -3.877 -2.431 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.701 -5.164 -2.221 1.00 0.00 H new ATOM 163 N GLU A 14 4.803 -5.479 1.239 1.00 0.00 N ATOM 164 CA GLU A 14 3.726 -6.125 1.971 1.00 0.00 C ATOM 165 C GLU A 14 2.744 -5.079 2.502 1.00 0.00 C ATOM 166 O GLU A 14 1.532 -5.288 2.470 1.00 0.00 O ATOM 167 CB GLU A 14 4.277 -6.988 3.109 1.00 0.00 C ATOM 168 CG GLU A 14 4.492 -6.154 4.375 1.00 0.00 C ATOM 169 CD GLU A 14 5.298 -6.935 5.415 1.00 0.00 C ATOM 170 OE1 GLU A 14 4.657 -7.689 6.178 1.00 0.00 O ATOM 171 OE2 GLU A 14 6.535 -6.760 5.424 1.00 0.00 O ATOM 0 H GLU A 14 5.667 -5.361 1.767 1.00 0.00 H new ATOM 0 HA GLU A 14 3.191 -6.783 1.287 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.585 -7.804 3.320 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.220 -7.441 2.803 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.014 -5.231 4.123 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.528 -5.869 4.796 1.00 0.00 H new ATOM 176 N VAL A 15 3.303 -3.976 2.977 1.00 0.00 N ATOM 177 CA VAL A 15 2.491 -2.897 3.513 1.00 0.00 C ATOM 178 C VAL A 15 1.280 -2.675 2.605 1.00 0.00 C ATOM 179 O VAL A 15 0.153 -2.997 2.977 1.00 0.00 O ATOM 180 CB VAL A 15 3.344 -1.639 3.691 1.00 0.00 C ATOM 181 CG1 VAL A 15 2.470 -0.425 4.014 1.00 0.00 C ATOM 182 CG2 VAL A 15 4.411 -1.848 4.767 1.00 0.00 C ATOM 0 H VAL A 15 4.308 -3.806 3.002 1.00 0.00 H new ATOM 0 HA VAL A 15 2.112 -3.159 4.501 1.00 0.00 H new ATOM 0 HB VAL A 15 3.853 -1.443 2.747 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.101 0.456 4.136 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.765 -0.257 3.200 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.920 -0.608 4.937 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.003 -0.939 4.874 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.929 -2.081 5.717 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.062 -2.673 4.479 1.00 0.00 H new ATOM 192 N PHE A 16 1.555 -2.126 1.431 1.00 0.00 N ATOM 193 CA PHE A 16 0.502 -1.857 0.466 1.00 0.00 C ATOM 194 C PHE A 16 -0.409 -3.075 0.295 1.00 0.00 C ATOM 195 O PHE A 16 -1.624 -2.932 0.168 1.00 0.00 O ATOM 196 CB PHE A 16 1.185 -1.555 -0.869 1.00 0.00 C ATOM 197 CG PHE A 16 1.782 -0.148 -0.959 1.00 0.00 C ATOM 198 CD1 PHE A 16 1.117 0.908 -0.419 1.00 0.00 C ATOM 199 CD2 PHE A 16 2.978 0.044 -1.578 1.00 0.00 C ATOM 200 CE1 PHE A 16 1.670 2.212 -0.503 1.00 0.00 C ATOM 201 CE2 PHE A 16 3.532 1.349 -1.661 1.00 0.00 C ATOM 202 CZ PHE A 16 2.867 2.406 -1.122 1.00 0.00 C ATOM 0 H PHE A 16 2.491 -1.860 1.126 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.111 -1.023 0.807 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.977 -2.286 -1.034 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.461 -1.683 -1.673 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.168 0.754 0.074 1.00 0.00 H new ATOM 0 HD2 PHE A 16 3.506 -0.795 -2.006 1.00 0.00 H new ATOM 0 HE1 PHE A 16 1.141 3.051 -0.076 1.00 0.00 H new ATOM 0 HE2 PHE A 16 4.482 1.502 -2.152 1.00 0.00 H new ATOM 0 HZ PHE A 16 3.288 3.398 -1.185 1.00 0.00 H new ATOM 211 N ASP A 17 0.214 -4.244 0.297 1.00 0.00 N ATOM 212 CA ASP A 17 -0.526 -5.485 0.144 1.00 0.00 C ATOM 213 C ASP A 17 -1.498 -5.642 1.315 1.00 0.00 C ATOM 214 O ASP A 17 -2.689 -5.870 1.111 1.00 0.00 O ATOM 215 CB ASP A 17 0.415 -6.691 0.147 1.00 0.00 C ATOM 216 CG ASP A 17 0.680 -7.308 -1.229 1.00 0.00 C ATOM 217 OD1 ASP A 17 0.394 -6.612 -2.227 1.00 0.00 O ATOM 218 OD2 ASP A 17 1.162 -8.461 -1.251 1.00 0.00 O ATOM 0 H ASP A 17 1.222 -4.358 0.402 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.059 -5.445 -0.806 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.367 -6.389 0.583 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.004 -7.458 0.798 1.00 0.00 H new ATOM 222 N VAL A 18 -0.954 -5.515 2.516 1.00 0.00 N ATOM 223 CA VAL A 18 -1.758 -5.640 3.720 1.00 0.00 C ATOM 224 C VAL A 18 -2.845 -4.564 3.716 1.00 0.00 C ATOM 225 O VAL A 18 -4.033 -4.876 3.700 1.00 0.00 O ATOM 226 CB VAL A 18 -0.859 -5.580 4.958 1.00 0.00 C ATOM 227 CG1 VAL A 18 -1.646 -5.104 6.181 1.00 0.00 C ATOM 228 CG2 VAL A 18 -0.199 -6.934 5.222 1.00 0.00 C ATOM 0 H VAL A 18 0.035 -5.327 2.681 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.260 -6.607 3.746 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.068 -4.855 4.765 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.986 -5.070 7.048 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.047 -4.109 5.991 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.466 -5.794 6.377 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.434 -6.864 6.107 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.969 -7.688 5.385 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.409 -7.216 4.362 1.00 0.00 H new ATOM 238 N LEU A 19 -2.397 -3.316 3.732 1.00 0.00 N ATOM 239 CA LEU A 19 -3.316 -2.191 3.731 1.00 0.00 C ATOM 240 C LEU A 19 -4.479 -2.489 2.782 1.00 0.00 C ATOM 241 O LEU A 19 -5.641 -2.419 3.178 1.00 0.00 O ATOM 242 CB LEU A 19 -2.575 -0.893 3.406 1.00 0.00 C ATOM 243 CG LEU A 19 -1.387 -0.555 4.309 1.00 0.00 C ATOM 244 CD1 LEU A 19 -0.958 0.902 4.129 1.00 0.00 C ATOM 245 CD2 LEU A 19 -1.699 -0.884 5.771 1.00 0.00 C ATOM 0 H LEU A 19 -1.410 -3.060 3.746 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.742 -2.047 4.724 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.220 -0.949 2.377 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.288 -0.070 3.453 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.544 -1.178 4.011 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.112 1.116 4.782 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.667 1.070 3.092 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.789 1.560 4.384 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.838 -0.634 6.392 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.562 -0.305 6.098 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.919 -1.947 5.866 1.00 0.00 H new ATOM 256 N TYR A 20 -4.125 -2.815 1.547 1.00 0.00 N ATOM 257 CA TYR A 20 -5.124 -3.125 0.539 1.00 0.00 C ATOM 258 C TYR A 20 -6.136 -4.145 1.065 1.00 0.00 C ATOM 259 O TYR A 20 -7.343 -3.925 0.985 1.00 0.00 O ATOM 260 CB TYR A 20 -4.361 -3.739 -0.636 1.00 0.00 C ATOM 261 CG TYR A 20 -5.255 -4.163 -1.803 1.00 0.00 C ATOM 262 CD1 TYR A 20 -6.246 -3.317 -2.257 1.00 0.00 C ATOM 263 CD2 TYR A 20 -5.069 -5.392 -2.404 1.00 0.00 C ATOM 264 CE1 TYR A 20 -7.086 -3.716 -3.357 1.00 0.00 C ATOM 265 CE2 TYR A 20 -5.908 -5.791 -3.503 1.00 0.00 C ATOM 266 CZ TYR A 20 -6.876 -4.933 -3.925 1.00 0.00 C ATOM 267 OH TYR A 20 -7.669 -5.310 -4.963 1.00 0.00 O ATOM 0 H TYR A 20 -3.160 -2.871 1.222 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.675 -2.228 0.256 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.627 -3.018 -0.997 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.806 -4.608 -0.282 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -6.392 -2.355 -1.787 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.293 -6.054 -2.049 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -7.865 -3.063 -3.722 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.772 -6.750 -3.982 1.00 0.00 H new ATOM 0 HH TYR A 20 -7.404 -6.202 -5.270 1.00 0.00 H new ATOM 276 N SER A 21 -5.606 -5.239 1.591 1.00 0.00 N ATOM 277 CA SER A 21 -6.447 -6.294 2.129 1.00 0.00 C ATOM 278 C SER A 21 -7.324 -5.741 3.255 1.00 0.00 C ATOM 279 O SER A 21 -8.535 -5.956 3.267 1.00 0.00 O ATOM 280 CB SER A 21 -5.605 -7.465 2.639 1.00 0.00 C ATOM 281 OG SER A 21 -5.735 -8.617 1.811 1.00 0.00 O ATOM 0 H SER A 21 -4.604 -5.418 1.656 1.00 0.00 H new ATOM 0 HA SER A 21 -7.086 -6.664 1.327 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.558 -7.166 2.683 1.00 0.00 H new ATOM 0 HB3 SER A 21 -5.908 -7.714 3.656 1.00 0.00 H new ATOM 0 HG SER A 21 -5.695 -9.424 2.365 1.00 0.00 H new ATOM 286 N GLU A 22 -6.677 -5.039 4.174 1.00 0.00 N ATOM 287 CA GLU A 22 -7.382 -4.453 5.301 1.00 0.00 C ATOM 288 C GLU A 22 -8.664 -3.765 4.826 1.00 0.00 C ATOM 289 O GLU A 22 -9.745 -4.029 5.349 1.00 0.00 O ATOM 290 CB GLU A 22 -6.485 -3.476 6.062 1.00 0.00 C ATOM 291 CG GLU A 22 -5.444 -4.224 6.897 1.00 0.00 C ATOM 292 CD GLU A 22 -5.415 -3.700 8.335 1.00 0.00 C ATOM 293 OE1 GLU A 22 -6.513 -3.403 8.853 1.00 0.00 O ATOM 294 OE2 GLU A 22 -4.295 -3.608 8.882 1.00 0.00 O ATOM 0 H GLU A 22 -5.672 -4.863 4.161 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.656 -5.253 5.988 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.983 -2.813 5.357 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.094 -2.848 6.712 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.672 -5.290 6.899 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.459 -4.110 6.444 1.00 0.00 H new ATOM 299 N ALA A 23 -8.500 -2.895 3.840 1.00 0.00 N ATOM 300 CA ALA A 23 -9.630 -2.167 3.289 1.00 0.00 C ATOM 301 C ALA A 23 -10.587 -3.152 2.616 1.00 0.00 C ATOM 302 O ALA A 23 -11.800 -2.953 2.629 1.00 0.00 O ATOM 303 CB ALA A 23 -9.123 -1.093 2.323 1.00 0.00 C ATOM 0 H ALA A 23 -7.602 -2.678 3.409 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.183 -1.660 4.080 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.970 -0.546 1.909 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.471 -0.402 2.857 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.566 -1.565 1.514 1.00 0.00 H new ATOM 309 N LEU A 24 -10.004 -4.195 2.041 1.00 0.00 N ATOM 310 CA LEU A 24 -10.790 -5.212 1.363 1.00 0.00 C ATOM 311 C LEU A 24 -11.518 -6.065 2.403 1.00 0.00 C ATOM 312 O LEU A 24 -12.482 -6.758 2.080 1.00 0.00 O ATOM 313 CB LEU A 24 -9.909 -6.022 0.410 1.00 0.00 C ATOM 314 CG LEU A 24 -9.988 -5.636 -1.068 1.00 0.00 C ATOM 315 CD1 LEU A 24 -8.912 -6.356 -1.882 1.00 0.00 C ATOM 316 CD2 LEU A 24 -11.392 -5.885 -1.626 1.00 0.00 C ATOM 0 H LEU A 24 -8.997 -4.357 2.031 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.554 -4.750 0.738 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.873 -5.926 0.735 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.177 -7.074 0.505 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.793 -4.567 -1.152 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.991 -6.063 -2.929 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.927 -6.085 -1.503 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.050 -7.434 -1.795 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.421 -5.602 -2.678 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.641 -6.942 -1.527 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.115 -5.289 -1.070 1.00 0.00 H new ATOM 327 N GLY A 25 -11.028 -5.988 3.633 1.00 0.00 N ATOM 328 CA GLY A 25 -11.620 -6.745 4.722 1.00 0.00 C ATOM 329 C GLY A 25 -11.528 -8.249 4.458 1.00 0.00 C ATOM 330 O GLY A 25 -12.473 -8.989 4.731 1.00 0.00 O ATOM 0 H GLY A 25 -10.228 -5.413 3.898 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -11.111 -6.504 5.656 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.664 -6.457 4.844 1.00 0.00 H new ATOM 334 N ARG A 26 -10.383 -8.657 3.932 1.00 0.00 N ATOM 335 CA ARG A 26 -10.156 -10.059 3.628 1.00 0.00 C ATOM 336 C ARG A 26 -9.427 -10.742 4.787 1.00 0.00 C ATOM 337 O ARG A 26 -9.097 -10.099 5.782 1.00 0.00 O ATOM 338 CB ARG A 26 -9.330 -10.220 2.350 1.00 0.00 C ATOM 339 CG ARG A 26 -10.025 -9.552 1.162 1.00 0.00 C ATOM 340 CD ARG A 26 -10.527 -10.596 0.163 1.00 0.00 C ATOM 341 NE ARG A 26 -11.927 -10.961 0.474 1.00 0.00 N ATOM 342 CZ ARG A 26 -12.596 -11.955 -0.128 1.00 0.00 C ATOM 343 NH1 ARG A 26 -11.997 -12.687 -1.077 1.00 0.00 N ATOM 344 NH2 ARG A 26 -13.864 -12.215 0.219 1.00 0.00 N ATOM 0 H ARG A 26 -9.602 -8.040 3.708 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.129 -10.527 3.479 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -8.343 -9.781 2.493 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -9.180 -11.279 2.140 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.862 -8.951 1.517 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -9.332 -8.872 0.666 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -10.462 -10.202 -0.851 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -9.894 -11.483 0.202 1.00 0.00 H new ATOM 0 HE ARG A 26 -12.413 -10.423 1.191 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -11.032 -12.488 -1.341 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -12.506 -13.443 -1.535 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -14.320 -11.657 0.941 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.373 -12.971 -0.239 1.00 0.00 H new ATOM 355 N ALA A 27 -9.198 -12.036 4.619 1.00 0.00 N ATOM 356 CA ALA A 27 -8.514 -12.813 5.639 1.00 0.00 C ATOM 357 C ALA A 27 -7.035 -12.940 5.270 1.00 0.00 C ATOM 358 O ALA A 27 -6.162 -12.730 6.111 1.00 0.00 O ATOM 359 CB ALA A 27 -9.197 -14.175 5.787 1.00 0.00 C ATOM 0 H ALA A 27 -9.474 -12.566 3.792 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.571 -12.313 6.606 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.684 -14.758 6.552 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.238 -14.031 6.078 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.156 -14.708 4.837 1.00 0.00 H new ATOM 365 N SER A 28 -6.799 -13.284 4.013 1.00 0.00 N ATOM 366 CA SER A 28 -5.439 -13.442 3.523 1.00 0.00 C ATOM 367 C SER A 28 -4.929 -12.114 2.960 1.00 0.00 C ATOM 368 O SER A 28 -5.712 -11.198 2.714 1.00 0.00 O ATOM 369 CB SER A 28 -5.362 -14.536 2.456 1.00 0.00 C ATOM 370 OG SER A 28 -6.099 -15.698 2.827 1.00 0.00 O ATOM 0 H SER A 28 -7.526 -13.458 3.319 1.00 0.00 H new ATOM 0 HA SER A 28 -4.806 -13.742 4.358 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.746 -14.149 1.512 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.319 -14.806 2.289 1.00 0.00 H new ATOM 0 HG SER A 28 -6.026 -16.372 2.119 1.00 0.00 H new ATOM 375 N VAL A 29 -3.619 -12.053 2.771 1.00 0.00 N ATOM 376 CA VAL A 29 -2.994 -10.853 2.242 1.00 0.00 C ATOM 377 C VAL A 29 -2.896 -10.963 0.719 1.00 0.00 C ATOM 378 O VAL A 29 -2.043 -11.682 0.200 1.00 0.00 O ATOM 379 CB VAL A 29 -1.639 -10.627 2.915 1.00 0.00 C ATOM 380 CG1 VAL A 29 -0.987 -9.336 2.416 1.00 0.00 C ATOM 381 CG2 VAL A 29 -1.777 -10.619 4.438 1.00 0.00 C ATOM 0 H VAL A 29 -2.973 -12.816 2.975 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.601 -9.976 2.466 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.988 -11.458 2.643 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.025 -9.199 2.910 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.836 -9.398 1.338 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.635 -8.490 2.643 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.799 -10.457 4.891 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.453 -9.819 4.738 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.177 -11.576 4.772 1.00 0.00 H new ATOM 391 N VAL A 30 -3.779 -10.241 0.046 1.00 0.00 N ATOM 392 CA VAL A 30 -3.802 -10.250 -1.406 1.00 0.00 C ATOM 393 C VAL A 30 -2.809 -9.212 -1.934 1.00 0.00 C ATOM 394 O VAL A 30 -2.471 -8.259 -1.233 1.00 0.00 O ATOM 395 CB VAL A 30 -5.228 -10.021 -1.909 1.00 0.00 C ATOM 396 CG1 VAL A 30 -6.079 -11.281 -1.736 1.00 0.00 C ATOM 397 CG2 VAL A 30 -5.872 -8.824 -1.207 1.00 0.00 C ATOM 0 H VAL A 30 -4.484 -9.645 0.480 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.490 -11.223 -1.786 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.175 -9.796 -2.974 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.088 -11.091 -2.101 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.636 -12.100 -2.303 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.120 -11.550 -0.681 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.885 -8.683 -1.583 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.906 -9.007 -0.133 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.284 -7.927 -1.404 1.00 0.00 H new ATOM 407 N PRO A 31 -2.357 -9.439 -3.197 1.00 0.00 N ATOM 408 CA PRO A 31 -1.410 -8.535 -3.826 1.00 0.00 C ATOM 409 C PRO A 31 -2.096 -7.241 -4.266 1.00 0.00 C ATOM 410 O PRO A 31 -3.322 -7.139 -4.227 1.00 0.00 O ATOM 411 CB PRO A 31 -0.827 -9.323 -4.988 1.00 0.00 C ATOM 412 CG PRO A 31 -1.799 -10.462 -5.249 1.00 0.00 C ATOM 413 CD PRO A 31 -2.737 -10.557 -4.055 1.00 0.00 C ATOM 0 HA PRO A 31 -0.622 -8.211 -3.146 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.717 -8.693 -5.871 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.164 -9.704 -4.743 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.363 -10.281 -6.164 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.260 -11.400 -5.387 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.780 -10.483 -4.364 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.624 -11.510 -3.538 1.00 0.00 H new ATOM 418 N LEU A 32 -1.276 -6.282 -4.675 1.00 0.00 N ATOM 419 CA LEU A 32 -1.790 -4.998 -5.121 1.00 0.00 C ATOM 420 C LEU A 32 -1.422 -4.790 -6.592 1.00 0.00 C ATOM 421 O LEU A 32 -0.285 -4.443 -6.907 1.00 0.00 O ATOM 422 CB LEU A 32 -1.303 -3.877 -4.201 1.00 0.00 C ATOM 423 CG LEU A 32 -1.466 -2.453 -4.734 1.00 0.00 C ATOM 424 CD1 LEU A 32 -2.822 -2.277 -5.421 1.00 0.00 C ATOM 425 CD2 LEU A 32 -1.246 -1.423 -3.625 1.00 0.00 C ATOM 0 H LEU A 32 -0.260 -6.369 -4.707 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.878 -4.980 -5.058 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.838 -3.953 -3.254 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.248 -4.044 -3.985 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.698 -2.281 -5.488 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.913 -1.256 -5.791 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.900 -2.974 -6.256 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.621 -2.476 -4.706 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.368 -0.419 -4.032 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.974 -1.583 -2.830 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.239 -1.532 -3.222 1.00 0.00 H new ATOM 436 N PRO A 33 -2.430 -5.019 -7.475 1.00 0.00 N ATOM 437 CA PRO A 33 -2.224 -4.860 -8.904 1.00 0.00 C ATOM 438 C PRO A 33 -2.174 -3.381 -9.290 1.00 0.00 C ATOM 439 O PRO A 33 -3.165 -2.825 -9.763 1.00 0.00 O ATOM 440 CB PRO A 33 -3.379 -5.605 -9.553 1.00 0.00 C ATOM 441 CG PRO A 33 -4.438 -5.756 -8.473 1.00 0.00 C ATOM 442 CD PRO A 33 -3.789 -5.432 -7.137 1.00 0.00 C ATOM 0 HA PRO A 33 -1.269 -5.264 -9.239 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -3.769 -5.052 -10.408 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -3.057 -6.578 -9.923 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -5.276 -5.085 -8.663 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.837 -6.771 -8.468 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -4.326 -4.638 -6.618 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.787 -6.300 -6.477 1.00 0.00 H new ATOM 447 N TYR A 34 -1.010 -2.785 -9.074 1.00 0.00 N ATOM 448 CA TYR A 34 -0.819 -1.380 -9.394 1.00 0.00 C ATOM 449 C TYR A 34 -1.173 -1.097 -10.855 1.00 0.00 C ATOM 450 O TYR A 34 -1.994 -0.226 -11.140 1.00 0.00 O ATOM 451 CB TYR A 34 0.670 -1.098 -9.178 1.00 0.00 C ATOM 452 CG TYR A 34 1.188 -1.512 -7.799 1.00 0.00 C ATOM 453 CD1 TYR A 34 1.062 -0.651 -6.727 1.00 0.00 C ATOM 454 CD2 TYR A 34 1.782 -2.746 -7.627 1.00 0.00 C ATOM 455 CE1 TYR A 34 1.550 -1.041 -5.430 1.00 0.00 C ATOM 456 CE2 TYR A 34 2.270 -3.135 -6.329 1.00 0.00 C ATOM 457 CZ TYR A 34 2.130 -2.264 -5.295 1.00 0.00 C ATOM 458 OH TYR A 34 2.591 -2.631 -4.070 1.00 0.00 O ATOM 0 H TYR A 34 -0.191 -3.249 -8.682 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.458 -0.754 -8.772 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.243 -1.622 -9.943 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.852 -0.032 -9.318 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.598 0.315 -6.861 1.00 0.00 H new ATOM 0 HD2 TYR A 34 1.881 -3.420 -8.465 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.458 -0.377 -4.583 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.737 -4.098 -6.181 1.00 0.00 H new ATOM 0 HH TYR A 34 2.647 -1.842 -3.492 1.00 0.00 H new ATOM 467 N GLU A 35 -0.537 -1.849 -11.741 1.00 0.00 N ATOM 468 CA GLU A 35 -0.775 -1.689 -13.165 1.00 0.00 C ATOM 469 C GLU A 35 -2.258 -1.425 -13.429 1.00 0.00 C ATOM 470 O GLU A 35 -2.607 -0.712 -14.370 1.00 0.00 O ATOM 471 CB GLU A 35 -0.289 -2.913 -13.943 1.00 0.00 C ATOM 472 CG GLU A 35 -1.242 -4.096 -13.755 1.00 0.00 C ATOM 473 CD GLU A 35 -0.744 -5.328 -14.512 1.00 0.00 C ATOM 474 OE1 GLU A 35 -0.716 -5.254 -15.760 1.00 0.00 O ATOM 475 OE2 GLU A 35 -0.401 -6.316 -13.827 1.00 0.00 O ATOM 0 H GLU A 35 0.143 -2.570 -11.500 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.205 -0.828 -13.514 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.212 -2.668 -15.002 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.710 -3.189 -13.606 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.333 -4.329 -12.694 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.237 -3.825 -14.108 1.00 0.00 H new ATOM 480 N ARG A 36 -3.091 -2.012 -12.583 1.00 0.00 N ATOM 481 CA ARG A 36 -4.529 -1.850 -12.714 1.00 0.00 C ATOM 482 C ARG A 36 -5.004 -0.648 -11.894 1.00 0.00 C ATOM 483 O ARG A 36 -5.434 0.360 -12.453 1.00 0.00 O ATOM 484 CB ARG A 36 -5.270 -3.103 -12.245 1.00 0.00 C ATOM 485 CG ARG A 36 -5.720 -3.951 -13.435 1.00 0.00 C ATOM 486 CD ARG A 36 -7.083 -3.489 -13.954 1.00 0.00 C ATOM 487 NE ARG A 36 -8.114 -4.503 -13.641 1.00 0.00 N ATOM 488 CZ ARG A 36 -8.237 -5.673 -14.282 1.00 0.00 C ATOM 489 NH1 ARG A 36 -7.393 -5.985 -15.275 1.00 0.00 N ATOM 490 NH2 ARG A 36 -9.202 -6.533 -13.929 1.00 0.00 N ATOM 0 H ARG A 36 -2.798 -2.601 -11.804 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.749 -1.685 -13.769 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.621 -3.693 -11.598 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.137 -2.816 -11.650 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.981 -3.884 -14.234 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.776 -4.999 -13.139 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.350 -2.535 -13.500 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.035 -3.327 -15.031 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.773 -4.298 -12.890 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.657 -5.332 -15.543 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.487 -6.876 -15.763 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.843 -6.297 -13.172 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.295 -7.424 -14.417 1.00 0.00 H new ATOM 501 N LEU A 37 -4.909 -0.794 -10.580 1.00 0.00 N ATOM 502 CA LEU A 37 -5.322 0.267 -9.678 1.00 0.00 C ATOM 503 C LEU A 37 -4.831 1.611 -10.217 1.00 0.00 C ATOM 504 O LEU A 37 -5.547 2.609 -10.153 1.00 0.00 O ATOM 505 CB LEU A 37 -4.856 -0.031 -8.251 1.00 0.00 C ATOM 506 CG LEU A 37 -5.205 -1.418 -7.706 1.00 0.00 C ATOM 507 CD1 LEU A 37 -5.354 -1.388 -6.184 1.00 0.00 C ATOM 508 CD2 LEU A 37 -6.452 -1.978 -8.393 1.00 0.00 C ATOM 0 H LEU A 37 -4.552 -1.631 -10.119 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.409 0.322 -9.629 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.774 0.091 -8.211 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.286 0.718 -7.586 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.380 -2.093 -7.935 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.602 -2.386 -5.823 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.417 -1.061 -5.733 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.149 -0.695 -5.910 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.679 -2.964 -7.988 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.295 -1.311 -8.216 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.272 -2.059 -9.465 1.00 0.00 H new ATOM 519 N LEU A 38 -3.612 1.594 -10.737 1.00 0.00 N ATOM 520 CA LEU A 38 -3.016 2.800 -11.287 1.00 0.00 C ATOM 521 C LEU A 38 -3.909 3.337 -12.409 1.00 0.00 C ATOM 522 O LEU A 38 -4.198 4.532 -12.457 1.00 0.00 O ATOM 523 CB LEU A 38 -1.575 2.533 -11.723 1.00 0.00 C ATOM 524 CG LEU A 38 -0.590 2.184 -10.605 1.00 0.00 C ATOM 525 CD1 LEU A 38 0.687 1.562 -11.173 1.00 0.00 C ATOM 526 CD2 LEU A 38 -0.293 3.407 -9.735 1.00 0.00 C ATOM 0 H LEU A 38 -3.021 0.764 -10.789 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.955 3.578 -10.526 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.580 1.716 -12.444 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.205 3.416 -12.244 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.054 1.436 -9.962 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.370 1.324 -10.357 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.437 0.650 -11.716 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.165 2.268 -11.851 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.409 3.132 -8.948 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.142 4.194 -10.351 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.218 3.767 -9.286 1.00 0.00 H new ATOM 537 N ARG A 39 -4.318 2.430 -13.283 1.00 0.00 N ATOM 538 CA ARG A 39 -5.170 2.798 -14.401 1.00 0.00 C ATOM 539 C ARG A 39 -6.370 3.609 -13.908 1.00 0.00 C ATOM 540 O ARG A 39 -6.734 4.615 -14.516 1.00 0.00 O ATOM 541 CB ARG A 39 -5.672 1.557 -15.143 1.00 0.00 C ATOM 542 CG ARG A 39 -6.268 1.935 -16.500 1.00 0.00 C ATOM 543 CD ARG A 39 -6.478 0.694 -17.370 1.00 0.00 C ATOM 544 NE ARG A 39 -6.878 1.097 -18.738 1.00 0.00 N ATOM 545 CZ ARG A 39 -6.032 1.591 -19.652 1.00 0.00 C ATOM 546 NH1 ARG A 39 -4.735 1.747 -19.350 1.00 0.00 N ATOM 547 NH2 ARG A 39 -6.482 1.930 -20.867 1.00 0.00 N ATOM 0 H ARG A 39 -4.075 1.440 -13.240 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.576 3.402 -15.087 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.849 0.856 -15.285 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.424 1.048 -14.540 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.219 2.447 -16.354 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.605 2.634 -17.011 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.560 0.107 -17.408 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.246 0.057 -16.930 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.858 0.992 -19.000 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.392 1.490 -18.424 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.091 2.123 -20.046 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.469 1.812 -21.097 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.838 2.306 -21.563 1.00 0.00 H new ATOM 558 N GLU A 40 -6.950 3.142 -12.812 1.00 0.00 N ATOM 559 CA GLU A 40 -8.101 3.812 -12.231 1.00 0.00 C ATOM 560 C GLU A 40 -7.809 4.209 -10.783 1.00 0.00 C ATOM 561 O GLU A 40 -7.811 3.361 -9.892 1.00 0.00 O ATOM 562 CB GLU A 40 -9.350 2.932 -12.319 1.00 0.00 C ATOM 563 CG GLU A 40 -8.975 1.448 -12.313 1.00 0.00 C ATOM 564 CD GLU A 40 -10.210 0.570 -12.527 1.00 0.00 C ATOM 565 OE1 GLU A 40 -11.256 1.144 -12.899 1.00 0.00 O ATOM 566 OE2 GLU A 40 -10.080 -0.654 -12.314 1.00 0.00 O ATOM 0 H GLU A 40 -6.644 2.308 -12.311 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.296 4.719 -12.803 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.011 3.147 -11.480 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.902 3.168 -13.229 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.244 1.251 -13.097 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.502 1.192 -11.365 1.00 0.00 H new ATOM 571 N PRO A 41 -7.560 5.531 -10.588 1.00 0.00 N ATOM 572 CA PRO A 41 -7.266 6.051 -9.263 1.00 0.00 C ATOM 573 C PRO A 41 -8.536 6.129 -8.412 1.00 0.00 C ATOM 574 O PRO A 41 -8.464 6.160 -7.185 1.00 0.00 O ATOM 575 CB PRO A 41 -6.628 7.409 -9.504 1.00 0.00 C ATOM 576 CG PRO A 41 -7.008 7.801 -10.923 1.00 0.00 C ATOM 577 CD PRO A 41 -7.549 6.564 -11.621 1.00 0.00 C ATOM 0 HA PRO A 41 -6.593 5.406 -8.698 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.990 8.144 -8.785 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -5.545 7.358 -9.389 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -7.758 8.592 -10.912 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.141 8.191 -11.456 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -8.549 6.738 -12.017 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -6.918 6.276 -12.462 1.00 0.00 H new ATOM 582 N GLY A 42 -9.669 6.162 -9.099 1.00 0.00 N ATOM 583 CA GLY A 42 -10.952 6.236 -8.421 1.00 0.00 C ATOM 584 C GLY A 42 -11.334 4.883 -7.819 1.00 0.00 C ATOM 585 O GLY A 42 -12.045 4.824 -6.817 1.00 0.00 O ATOM 0 H GLY A 42 -9.725 6.139 -10.117 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.908 6.989 -7.634 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.721 6.555 -9.125 1.00 0.00 H new ATOM 589 N LEU A 43 -10.845 3.829 -8.455 1.00 0.00 N ATOM 590 CA LEU A 43 -11.126 2.480 -7.995 1.00 0.00 C ATOM 591 C LEU A 43 -10.536 2.289 -6.596 1.00 0.00 C ATOM 592 O LEU A 43 -11.172 1.699 -5.724 1.00 0.00 O ATOM 593 CB LEU A 43 -10.634 1.452 -9.016 1.00 0.00 C ATOM 594 CG LEU A 43 -11.211 0.041 -8.877 1.00 0.00 C ATOM 595 CD1 LEU A 43 -12.681 0.007 -9.297 1.00 0.00 C ATOM 596 CD2 LEU A 43 -10.369 -0.974 -9.655 1.00 0.00 C ATOM 0 H LEU A 43 -10.256 3.882 -9.286 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.201 2.322 -7.912 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.866 1.821 -10.015 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.548 1.388 -8.944 1.00 0.00 H new ATOM 0 HG LEU A 43 -11.170 -0.244 -7.826 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -13.067 -1.007 -9.189 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.256 0.684 -8.665 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -12.769 0.320 -10.337 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -10.800 -1.969 -9.540 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.357 -0.704 -10.711 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.350 -0.973 -9.269 1.00 0.00 H new ATOM 607 N LEU A 44 -9.325 2.800 -6.425 1.00 0.00 N ATOM 608 CA LEU A 44 -8.641 2.693 -5.147 1.00 0.00 C ATOM 609 C LEU A 44 -7.704 3.890 -4.975 1.00 0.00 C ATOM 610 O LEU A 44 -6.698 4.002 -5.674 1.00 0.00 O ATOM 611 CB LEU A 44 -7.939 1.340 -5.028 1.00 0.00 C ATOM 612 CG LEU A 44 -6.995 1.177 -3.834 1.00 0.00 C ATOM 613 CD1 LEU A 44 -7.589 1.813 -2.575 1.00 0.00 C ATOM 614 CD2 LEU A 44 -6.633 -0.293 -3.618 1.00 0.00 C ATOM 0 H LEU A 44 -8.800 3.289 -7.150 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.357 2.727 -4.326 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.700 0.562 -4.973 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.371 1.166 -5.942 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.069 1.707 -4.056 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.899 1.683 -1.741 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.754 2.877 -2.748 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.538 1.333 -2.338 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.962 -0.381 -2.764 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.540 -0.867 -3.427 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.139 -0.681 -4.509 1.00 0.00 H new ATOM 625 N ALA A 45 -8.067 4.756 -4.039 1.00 0.00 N ATOM 626 CA ALA A 45 -7.271 5.939 -3.765 1.00 0.00 C ATOM 627 C ALA A 45 -6.430 5.704 -2.509 1.00 0.00 C ATOM 628 O ALA A 45 -6.940 5.225 -1.497 1.00 0.00 O ATOM 629 CB ALA A 45 -8.192 7.154 -3.632 1.00 0.00 C ATOM 0 H ALA A 45 -8.902 4.661 -3.461 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.584 6.139 -4.588 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.595 8.042 -3.426 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.744 7.295 -4.561 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.894 6.991 -2.814 1.00 0.00 H new ATOM 635 N VAL A 46 -5.155 6.051 -2.615 1.00 0.00 N ATOM 636 CA VAL A 46 -4.239 5.884 -1.500 1.00 0.00 C ATOM 637 C VAL A 46 -4.163 7.190 -0.707 1.00 0.00 C ATOM 638 O VAL A 46 -3.953 8.258 -1.282 1.00 0.00 O ATOM 639 CB VAL A 46 -2.876 5.413 -2.009 1.00 0.00 C ATOM 640 CG1 VAL A 46 -1.896 5.214 -0.851 1.00 0.00 C ATOM 641 CG2 VAL A 46 -3.011 4.135 -2.840 1.00 0.00 C ATOM 0 H VAL A 46 -4.735 6.447 -3.456 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.601 5.113 -0.820 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.474 6.192 -2.657 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.935 4.879 -1.241 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.763 6.157 -0.320 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.290 4.464 -0.165 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.027 3.822 -3.189 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.446 3.346 -2.226 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.657 4.325 -3.697 1.00 0.00 H new ATOM 651 N GLN A 47 -4.337 7.063 0.600 1.00 0.00 N ATOM 652 CA GLN A 47 -4.291 8.221 1.477 1.00 0.00 C ATOM 653 C GLN A 47 -3.267 8.001 2.593 1.00 0.00 C ATOM 654 O GLN A 47 -2.815 6.878 2.813 1.00 0.00 O ATOM 655 CB GLN A 47 -5.674 8.526 2.055 1.00 0.00 C ATOM 656 CG GLN A 47 -6.503 9.365 1.081 1.00 0.00 C ATOM 657 CD GLN A 47 -6.284 10.860 1.321 1.00 0.00 C ATOM 658 OE1 GLN A 47 -6.696 11.420 2.324 1.00 0.00 O ATOM 659 NE2 GLN A 47 -5.616 11.473 0.349 1.00 0.00 N ATOM 0 H GLN A 47 -4.510 6.176 1.073 1.00 0.00 H new ATOM 0 HA GLN A 47 -3.980 9.085 0.890 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -6.195 7.593 2.272 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.568 9.059 3.000 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -6.230 9.114 0.056 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.560 9.125 1.198 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -5.299 10.945 -0.464 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -5.420 12.472 0.416 1.00 0.00 H new ATOM 666 N GLY A 48 -2.931 9.090 3.267 1.00 0.00 N ATOM 667 CA GLY A 48 -1.968 9.030 4.354 1.00 0.00 C ATOM 668 C GLY A 48 -0.558 8.764 3.823 1.00 0.00 C ATOM 669 O GLY A 48 0.252 8.127 4.497 1.00 0.00 O ATOM 0 H GLY A 48 -3.308 10.020 3.082 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.981 9.969 4.908 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.252 8.243 5.053 1.00 0.00 H new ATOM 673 N LEU A 49 -0.308 9.265 2.623 1.00 0.00 N ATOM 674 CA LEU A 49 0.990 9.089 1.995 1.00 0.00 C ATOM 675 C LEU A 49 2.050 9.842 2.803 1.00 0.00 C ATOM 676 O LEU A 49 1.716 10.664 3.655 1.00 0.00 O ATOM 677 CB LEU A 49 0.934 9.500 0.522 1.00 0.00 C ATOM 678 CG LEU A 49 0.581 8.390 -0.471 1.00 0.00 C ATOM 679 CD1 LEU A 49 -0.018 8.971 -1.753 1.00 0.00 C ATOM 680 CD2 LEU A 49 1.794 7.503 -0.756 1.00 0.00 C ATOM 0 H LEU A 49 -0.982 9.793 2.069 1.00 0.00 H new ATOM 0 HA LEU A 49 1.274 8.037 1.998 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.202 10.301 0.416 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.903 9.915 0.244 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.182 7.757 -0.018 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.260 8.161 -2.441 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.925 9.525 -1.512 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.703 9.641 -2.220 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.516 6.723 -1.464 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.596 8.108 -1.179 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.136 7.045 0.172 1.00 0.00 H new ATOM 691 N PRO A 50 3.337 9.527 2.498 1.00 0.00 N ATOM 692 CA PRO A 50 4.447 10.164 3.186 1.00 0.00 C ATOM 693 C PRO A 50 4.646 11.599 2.694 1.00 0.00 C ATOM 694 O PRO A 50 5.619 12.255 3.058 1.00 0.00 O ATOM 695 CB PRO A 50 5.646 9.271 2.911 1.00 0.00 C ATOM 696 CG PRO A 50 5.269 8.426 1.705 1.00 0.00 C ATOM 697 CD PRO A 50 3.769 8.558 1.494 1.00 0.00 C ATOM 0 HA PRO A 50 4.277 10.261 4.258 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.537 9.865 2.708 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.871 8.643 3.773 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.810 8.761 0.820 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.541 7.383 1.869 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.540 8.903 0.486 1.00 0.00 H new ATOM 0 HD3 PRO A 50 3.265 7.601 1.625 1.00 0.00 H new ATOM 702 N GLU A 51 3.706 12.044 1.872 1.00 0.00 N ATOM 703 CA GLU A 51 3.765 13.389 1.326 1.00 0.00 C ATOM 704 C GLU A 51 5.019 13.557 0.464 1.00 0.00 C ATOM 705 O GLU A 51 6.066 12.986 0.766 1.00 0.00 O ATOM 706 CB GLU A 51 3.722 14.436 2.440 1.00 0.00 C ATOM 707 CG GLU A 51 2.329 14.512 3.067 1.00 0.00 C ATOM 708 CD GLU A 51 1.880 15.966 3.235 1.00 0.00 C ATOM 709 OE1 GLU A 51 2.314 16.792 2.403 1.00 0.00 O ATOM 710 OE2 GLU A 51 1.115 16.217 4.190 1.00 0.00 O ATOM 0 H GLU A 51 2.900 11.497 1.571 1.00 0.00 H new ATOM 0 HA GLU A 51 2.890 13.542 0.695 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.456 14.188 3.206 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.998 15.411 2.038 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.615 13.978 2.440 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.336 14.016 4.037 1.00 0.00 H new ATOM 715 N GLY A 52 4.871 14.344 -0.591 1.00 0.00 N ATOM 716 CA GLY A 52 5.978 14.595 -1.498 1.00 0.00 C ATOM 717 C GLY A 52 6.333 13.336 -2.292 1.00 0.00 C ATOM 718 O GLY A 52 7.487 13.141 -2.673 1.00 0.00 O ATOM 0 H GLY A 52 4.001 14.816 -0.838 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.715 15.400 -2.184 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.848 14.930 -0.932 1.00 0.00 H new ATOM 722 N LEU A 53 5.319 12.513 -2.519 1.00 0.00 N ATOM 723 CA LEU A 53 5.509 11.278 -3.260 1.00 0.00 C ATOM 724 C LEU A 53 4.328 11.072 -4.211 1.00 0.00 C ATOM 725 O LEU A 53 3.504 11.969 -4.386 1.00 0.00 O ATOM 726 CB LEU A 53 5.739 10.107 -2.302 1.00 0.00 C ATOM 727 CG LEU A 53 7.194 9.826 -1.924 1.00 0.00 C ATOM 728 CD1 LEU A 53 7.300 8.578 -1.047 1.00 0.00 C ATOM 729 CD2 LEU A 53 8.075 9.728 -3.171 1.00 0.00 C ATOM 0 H LEU A 53 4.363 12.678 -2.203 1.00 0.00 H new ATOM 0 HA LEU A 53 6.407 11.337 -3.875 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.177 10.296 -1.387 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.321 9.207 -2.753 1.00 0.00 H new ATOM 0 HG LEU A 53 7.563 10.666 -1.335 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.345 8.400 -0.792 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.724 8.725 -0.134 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.907 7.718 -1.589 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.105 9.528 -2.874 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.717 8.919 -3.807 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.032 10.668 -3.721 1.00 0.00 H new ATOM 740 N ALA A 54 4.283 9.886 -4.799 1.00 0.00 N ATOM 741 CA ALA A 54 3.216 9.551 -5.728 1.00 0.00 C ATOM 742 C ALA A 54 2.896 8.059 -5.613 1.00 0.00 C ATOM 743 O ALA A 54 3.801 7.227 -5.583 1.00 0.00 O ATOM 744 CB ALA A 54 3.628 9.952 -7.146 1.00 0.00 C ATOM 0 H ALA A 54 4.968 9.145 -4.651 1.00 0.00 H new ATOM 0 HA ALA A 54 2.308 10.103 -5.485 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.828 9.701 -7.842 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.815 11.025 -7.181 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.535 9.416 -7.427 1.00 0.00 H new ATOM 750 N PHE A 55 1.605 7.766 -5.551 1.00 0.00 N ATOM 751 CA PHE A 55 1.155 6.390 -5.440 1.00 0.00 C ATOM 752 C PHE A 55 1.637 5.558 -6.631 1.00 0.00 C ATOM 753 O PHE A 55 1.152 5.728 -7.748 1.00 0.00 O ATOM 754 CB PHE A 55 -0.375 6.419 -5.439 1.00 0.00 C ATOM 755 CG PHE A 55 -1.024 5.048 -5.646 1.00 0.00 C ATOM 756 CD1 PHE A 55 -0.615 3.984 -4.904 1.00 0.00 C ATOM 757 CD2 PHE A 55 -2.009 4.894 -6.571 1.00 0.00 C ATOM 758 CE1 PHE A 55 -1.216 2.712 -5.095 1.00 0.00 C ATOM 759 CE2 PHE A 55 -2.610 3.622 -6.762 1.00 0.00 C ATOM 760 CZ PHE A 55 -2.201 2.558 -6.020 1.00 0.00 C ATOM 0 H PHE A 55 0.857 8.459 -5.576 1.00 0.00 H new ATOM 0 HA PHE A 55 1.554 5.940 -4.531 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -0.720 6.833 -4.492 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.716 7.093 -6.225 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.167 4.107 -4.169 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.334 5.739 -7.160 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.891 1.867 -4.506 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.392 3.499 -7.497 1.00 0.00 H new ATOM 0 HZ PHE A 55 -2.659 1.591 -6.165 1.00 0.00 H new ATOM 769 N ARG A 56 2.585 4.676 -6.350 1.00 0.00 N ATOM 770 CA ARG A 56 3.138 3.817 -7.384 1.00 0.00 C ATOM 771 C ARG A 56 3.894 2.646 -6.753 1.00 0.00 C ATOM 772 O ARG A 56 4.160 2.650 -5.552 1.00 0.00 O ATOM 773 CB ARG A 56 4.087 4.595 -8.297 1.00 0.00 C ATOM 774 CG ARG A 56 4.853 5.662 -7.511 1.00 0.00 C ATOM 775 CD ARG A 56 6.296 5.778 -8.008 1.00 0.00 C ATOM 776 NE ARG A 56 6.310 6.237 -9.416 1.00 0.00 N ATOM 777 CZ ARG A 56 7.410 6.649 -10.059 1.00 0.00 C ATOM 778 NH1 ARG A 56 8.592 6.664 -9.426 1.00 0.00 N ATOM 779 NH2 ARG A 56 7.330 7.046 -11.336 1.00 0.00 N ATOM 0 H ARG A 56 2.984 4.538 -5.422 1.00 0.00 H new ATOM 0 HA ARG A 56 2.307 3.439 -7.980 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.791 3.908 -8.766 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.520 5.067 -9.100 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.351 6.624 -7.613 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.849 5.411 -6.450 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.850 6.478 -7.383 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.796 4.813 -7.926 1.00 0.00 H new ATOM 0 HE ARG A 56 5.427 6.239 -9.927 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.654 6.361 -8.454 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.429 6.978 -9.917 1.00 0.00 H new ATOM 0 HH21 ARG A 56 6.431 7.034 -11.818 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.168 7.360 -11.826 1.00 0.00 H new ATOM 790 N ARG A 57 4.218 1.673 -7.591 1.00 0.00 N ATOM 791 CA ARG A 57 4.939 0.499 -7.130 1.00 0.00 C ATOM 792 C ARG A 57 5.976 0.891 -6.076 1.00 0.00 C ATOM 793 O ARG A 57 6.488 2.009 -6.091 1.00 0.00 O ATOM 794 CB ARG A 57 5.643 -0.206 -8.291 1.00 0.00 C ATOM 795 CG ARG A 57 4.934 -1.513 -8.651 1.00 0.00 C ATOM 796 CD ARG A 57 5.230 -1.916 -10.098 1.00 0.00 C ATOM 797 NE ARG A 57 4.746 -3.292 -10.348 1.00 0.00 N ATOM 798 CZ ARG A 57 4.688 -3.859 -11.562 1.00 0.00 C ATOM 799 NH1 ARG A 57 5.083 -3.172 -12.641 1.00 0.00 N ATOM 800 NH2 ARG A 57 4.234 -5.113 -11.694 1.00 0.00 N ATOM 0 H ARG A 57 3.995 1.673 -8.586 1.00 0.00 H new ATOM 0 HA ARG A 57 4.212 -0.185 -6.691 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.665 0.451 -9.160 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.679 -0.412 -8.021 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.258 -2.305 -7.976 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.859 -1.397 -8.514 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.746 -1.221 -10.784 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.302 -1.858 -10.289 1.00 0.00 H new ATOM 0 HE ARG A 57 4.437 -3.843 -9.547 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.428 -2.217 -12.540 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.039 -3.603 -13.564 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.933 -5.636 -10.871 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.190 -5.545 -12.617 1.00 0.00 H new ATOM 811 N PRO A 58 6.260 -0.075 -5.161 1.00 0.00 N ATOM 812 CA PRO A 58 7.226 0.159 -4.102 1.00 0.00 C ATOM 813 C PRO A 58 8.656 0.115 -4.644 1.00 0.00 C ATOM 814 O PRO A 58 9.582 0.614 -4.006 1.00 0.00 O ATOM 815 CB PRO A 58 6.949 -0.923 -3.071 1.00 0.00 C ATOM 816 CG PRO A 58 6.157 -1.998 -3.797 1.00 0.00 C ATOM 817 CD PRO A 58 5.672 -1.410 -5.113 1.00 0.00 C ATOM 0 HA PRO A 58 7.130 1.149 -3.657 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.878 -1.327 -2.669 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.384 -0.524 -2.228 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.779 -2.875 -3.977 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.312 -2.325 -3.191 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.994 -2.015 -5.960 1.00 0.00 H new ATOM 0 HD3 PRO A 58 4.584 -1.365 -5.149 1.00 0.00 H new ATOM 822 N ALA A 59 8.792 -0.487 -5.816 1.00 0.00 N ATOM 823 CA ALA A 59 10.094 -0.601 -6.452 1.00 0.00 C ATOM 824 C ALA A 59 10.363 0.653 -7.286 1.00 0.00 C ATOM 825 O ALA A 59 11.513 1.043 -7.473 1.00 0.00 O ATOM 826 CB ALA A 59 10.141 -1.880 -7.291 1.00 0.00 C ATOM 0 H ALA A 59 8.022 -0.901 -6.342 1.00 0.00 H new ATOM 0 HA ALA A 59 10.882 -0.672 -5.702 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.117 -1.966 -7.768 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.974 -2.744 -6.647 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.365 -1.842 -8.056 1.00 0.00 H new ATOM 832 N GLU A 60 9.280 1.249 -7.765 1.00 0.00 N ATOM 833 CA GLU A 60 9.384 2.452 -8.574 1.00 0.00 C ATOM 834 C GLU A 60 9.689 3.662 -7.690 1.00 0.00 C ATOM 835 O GLU A 60 9.997 4.742 -8.193 1.00 0.00 O ATOM 836 CB GLU A 60 8.109 2.676 -9.390 1.00 0.00 C ATOM 837 CG GLU A 60 8.026 1.690 -10.558 1.00 0.00 C ATOM 838 CD GLU A 60 7.535 2.386 -11.828 1.00 0.00 C ATOM 839 OE1 GLU A 60 6.483 3.055 -11.739 1.00 0.00 O ATOM 840 OE2 GLU A 60 8.223 2.234 -12.861 1.00 0.00 O ATOM 0 H GLU A 60 8.327 0.921 -7.608 1.00 0.00 H new ATOM 0 HA GLU A 60 10.208 2.324 -9.276 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.236 2.559 -8.748 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.090 3.698 -9.770 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.007 1.249 -10.737 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.351 0.873 -10.302 1.00 0.00 H new ATOM 845 N TYR A 61 9.593 3.442 -6.386 1.00 0.00 N ATOM 846 CA TYR A 61 9.855 4.501 -5.428 1.00 0.00 C ATOM 847 C TYR A 61 11.356 4.655 -5.176 1.00 0.00 C ATOM 848 O TYR A 61 12.150 3.820 -5.607 1.00 0.00 O ATOM 849 CB TYR A 61 9.172 4.072 -4.128 1.00 0.00 C ATOM 850 CG TYR A 61 7.811 4.728 -3.892 1.00 0.00 C ATOM 851 CD1 TYR A 61 7.624 6.060 -4.203 1.00 0.00 C ATOM 852 CD2 TYR A 61 6.769 3.989 -3.369 1.00 0.00 C ATOM 853 CE1 TYR A 61 6.342 6.677 -3.982 1.00 0.00 C ATOM 854 CE2 TYR A 61 5.488 4.606 -3.148 1.00 0.00 C ATOM 855 CZ TYR A 61 5.337 5.920 -3.465 1.00 0.00 C ATOM 856 OH TYR A 61 4.126 6.504 -3.256 1.00 0.00 O ATOM 0 H TYR A 61 9.337 2.546 -5.972 1.00 0.00 H new ATOM 0 HA TYR A 61 9.483 5.456 -5.800 1.00 0.00 H new ATOM 0 HB2 TYR A 61 9.045 2.989 -4.137 1.00 0.00 H new ATOM 0 HB3 TYR A 61 9.828 4.309 -3.290 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.439 6.639 -4.612 1.00 0.00 H new ATOM 0 HD2 TYR A 61 6.915 2.947 -3.126 1.00 0.00 H new ATOM 0 HE1 TYR A 61 6.182 7.718 -4.221 1.00 0.00 H new ATOM 0 HE2 TYR A 61 4.665 4.038 -2.740 1.00 0.00 H new ATOM 0 HH TYR A 61 3.572 6.405 -4.059 1.00 0.00 H new ATOM 865 N ASP A 62 11.700 5.727 -4.477 1.00 0.00 N ATOM 866 CA ASP A 62 13.092 6.000 -4.163 1.00 0.00 C ATOM 867 C ASP A 62 13.481 5.241 -2.893 1.00 0.00 C ATOM 868 O ASP A 62 12.660 4.535 -2.310 1.00 0.00 O ATOM 869 CB ASP A 62 13.317 7.492 -3.910 1.00 0.00 C ATOM 870 CG ASP A 62 12.147 8.398 -4.302 1.00 0.00 C ATOM 871 OD1 ASP A 62 11.948 8.570 -5.523 1.00 0.00 O ATOM 872 OD2 ASP A 62 11.480 8.898 -3.371 1.00 0.00 O ATOM 0 H ASP A 62 11.039 6.416 -4.119 1.00 0.00 H new ATOM 0 HA ASP A 62 13.698 5.683 -5.012 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.531 7.637 -2.851 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.203 7.809 -4.460 1.00 0.00 H new ATOM 876 N PRO A 63 14.768 5.418 -2.489 1.00 0.00 N ATOM 877 CA PRO A 63 15.276 4.759 -1.299 1.00 0.00 C ATOM 878 C PRO A 63 14.750 5.433 -0.030 1.00 0.00 C ATOM 879 O PRO A 63 14.236 4.765 0.865 1.00 0.00 O ATOM 880 CB PRO A 63 16.789 4.830 -1.425 1.00 0.00 C ATOM 881 CG PRO A 63 17.072 5.926 -2.438 1.00 0.00 C ATOM 882 CD PRO A 63 15.770 6.247 -3.154 1.00 0.00 C ATOM 0 HA PRO A 63 14.944 3.724 -1.219 1.00 0.00 H new ATOM 0 HB2 PRO A 63 17.251 5.058 -0.464 1.00 0.00 H new ATOM 0 HB3 PRO A 63 17.198 3.876 -1.757 1.00 0.00 H new ATOM 0 HG2 PRO A 63 17.463 6.814 -1.941 1.00 0.00 H new ATOM 0 HG3 PRO A 63 17.829 5.600 -3.151 1.00 0.00 H new ATOM 0 HD2 PRO A 63 15.525 7.306 -3.074 1.00 0.00 H new ATOM 0 HD3 PRO A 63 15.835 6.014 -4.217 1.00 0.00 H new ATOM 887 N LYS A 64 14.896 6.749 0.004 1.00 0.00 N ATOM 888 CA LYS A 64 14.442 7.522 1.149 1.00 0.00 C ATOM 889 C LYS A 64 12.914 7.475 1.216 1.00 0.00 C ATOM 890 O LYS A 64 12.329 7.675 2.279 1.00 0.00 O ATOM 891 CB LYS A 64 15.011 8.941 1.097 1.00 0.00 C ATOM 892 CG LYS A 64 16.429 8.984 1.672 1.00 0.00 C ATOM 893 CD LYS A 64 17.468 8.681 0.592 1.00 0.00 C ATOM 894 CE LYS A 64 18.794 9.385 0.892 1.00 0.00 C ATOM 895 NZ LYS A 64 19.098 10.384 -0.155 1.00 0.00 N ATOM 0 H LYS A 64 15.322 7.300 -0.742 1.00 0.00 H new ATOM 0 HA LYS A 64 14.817 7.087 2.075 1.00 0.00 H new ATOM 0 HB2 LYS A 64 15.022 9.295 0.066 1.00 0.00 H new ATOM 0 HB3 LYS A 64 14.366 9.616 1.659 1.00 0.00 H new ATOM 0 HG2 LYS A 64 16.622 9.967 2.101 1.00 0.00 H new ATOM 0 HG3 LYS A 64 16.519 8.260 2.482 1.00 0.00 H new ATOM 0 HD2 LYS A 64 17.630 7.605 0.530 1.00 0.00 H new ATOM 0 HD3 LYS A 64 17.093 9.004 -0.379 1.00 0.00 H new ATOM 0 HE2 LYS A 64 18.741 9.874 1.865 1.00 0.00 H new ATOM 0 HE3 LYS A 64 19.598 8.651 0.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 20.000 10.852 0.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 19.169 9.909 -1.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 18.339 11.094 -0.188 1.00 0.00 H new ATOM 905 N ALA A 65 12.311 7.210 0.066 1.00 0.00 N ATOM 906 CA ALA A 65 10.862 7.134 -0.019 1.00 0.00 C ATOM 907 C ALA A 65 10.369 5.938 0.798 1.00 0.00 C ATOM 908 O ALA A 65 9.644 6.106 1.777 1.00 0.00 O ATOM 909 CB ALA A 65 10.440 7.051 -1.488 1.00 0.00 C ATOM 0 H ALA A 65 12.799 7.045 -0.814 1.00 0.00 H new ATOM 0 HA ALA A 65 10.406 8.030 0.401 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.353 6.994 -1.552 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.789 7.938 -2.017 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.877 6.162 -1.942 1.00 0.00 H new ATOM 915 N LEU A 66 10.783 4.756 0.365 1.00 0.00 N ATOM 916 CA LEU A 66 10.392 3.532 1.043 1.00 0.00 C ATOM 917 C LEU A 66 10.502 3.736 2.556 1.00 0.00 C ATOM 918 O LEU A 66 9.617 3.328 3.306 1.00 0.00 O ATOM 919 CB LEU A 66 11.207 2.347 0.521 1.00 0.00 C ATOM 920 CG LEU A 66 11.125 2.087 -0.984 1.00 0.00 C ATOM 921 CD1 LEU A 66 12.182 1.072 -1.424 1.00 0.00 C ATOM 922 CD2 LEU A 66 9.713 1.660 -1.391 1.00 0.00 C ATOM 0 H LEU A 66 11.385 4.620 -0.447 1.00 0.00 H new ATOM 0 HA LEU A 66 9.351 3.292 0.828 1.00 0.00 H new ATOM 0 HB2 LEU A 66 12.252 2.506 0.786 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.879 1.448 1.043 1.00 0.00 H new ATOM 0 HG LEU A 66 11.340 3.020 -1.504 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.102 0.905 -2.498 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.175 1.456 -1.190 1.00 0.00 H new ATOM 0 HD13 LEU A 66 12.024 0.131 -0.898 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.682 1.482 -2.466 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.443 0.745 -0.863 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.006 2.449 -1.134 1.00 0.00 H new ATOM 933 N MET A 67 11.596 4.366 2.958 1.00 0.00 N ATOM 934 CA MET A 67 11.832 4.629 4.368 1.00 0.00 C ATOM 935 C MET A 67 10.795 5.605 4.926 1.00 0.00 C ATOM 936 O MET A 67 10.332 5.447 6.055 1.00 0.00 O ATOM 937 CB MET A 67 13.234 5.215 4.549 1.00 0.00 C ATOM 938 CG MET A 67 14.246 4.120 4.895 1.00 0.00 C ATOM 939 SD MET A 67 15.901 4.789 4.873 1.00 0.00 S ATOM 940 CE MET A 67 16.219 4.769 3.118 1.00 0.00 C ATOM 0 H MET A 67 12.329 4.702 2.333 1.00 0.00 H new ATOM 0 HA MET A 67 11.747 3.689 4.913 1.00 0.00 H new ATOM 0 HB2 MET A 67 13.541 5.723 3.634 1.00 0.00 H new ATOM 0 HB3 MET A 67 13.219 5.965 5.340 1.00 0.00 H new ATOM 0 HG2 MET A 67 14.025 3.707 5.879 1.00 0.00 H new ATOM 0 HG3 MET A 67 14.166 3.301 4.180 1.00 0.00 H new ATOM 0 HE1 MET A 67 16.978 4.019 2.894 1.00 0.00 H new ATOM 0 HE2 MET A 67 15.300 4.525 2.585 1.00 0.00 H new ATOM 0 HE3 MET A 67 16.573 5.750 2.801 1.00 0.00 H new ATOM 948 N ALA A 68 10.459 6.592 4.108 1.00 0.00 N ATOM 949 CA ALA A 68 9.483 7.593 4.506 1.00 0.00 C ATOM 950 C ALA A 68 8.084 6.973 4.487 1.00 0.00 C ATOM 951 O ALA A 68 7.177 7.461 5.159 1.00 0.00 O ATOM 952 CB ALA A 68 9.595 8.809 3.584 1.00 0.00 C ATOM 0 H ALA A 68 10.845 6.720 3.172 1.00 0.00 H new ATOM 0 HA ALA A 68 9.677 7.935 5.523 1.00 0.00 H new ATOM 0 HB1 ALA A 68 8.863 9.560 3.882 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.598 9.230 3.657 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.404 8.504 2.555 1.00 0.00 H new ATOM 958 N ILE A 69 7.955 5.908 3.710 1.00 0.00 N ATOM 959 CA ILE A 69 6.683 5.216 3.594 1.00 0.00 C ATOM 960 C ILE A 69 6.467 4.343 4.834 1.00 0.00 C ATOM 961 O ILE A 69 5.518 4.553 5.587 1.00 0.00 O ATOM 962 CB ILE A 69 6.611 4.442 2.277 1.00 0.00 C ATOM 963 CG1 ILE A 69 6.701 5.388 1.079 1.00 0.00 C ATOM 964 CG2 ILE A 69 5.358 3.566 2.224 1.00 0.00 C ATOM 965 CD1 ILE A 69 7.339 4.691 -0.124 1.00 0.00 C ATOM 0 H ILE A 69 8.711 5.507 3.154 1.00 0.00 H new ATOM 0 HA ILE A 69 5.862 5.932 3.560 1.00 0.00 H new ATOM 0 HB ILE A 69 7.472 3.775 2.225 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.704 5.740 0.813 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.288 6.266 1.348 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.331 3.026 1.277 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.378 2.853 3.048 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.471 4.194 2.309 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.391 5.386 -0.962 1.00 0.00 H new ATOM 0 HD12 ILE A 69 8.345 4.362 0.137 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.737 3.827 -0.406 1.00 0.00 H new ATOM 976 N LEU A 70 7.363 3.384 5.005 1.00 0.00 N ATOM 977 CA LEU A 70 7.283 2.478 6.139 1.00 0.00 C ATOM 978 C LEU A 70 7.048 3.287 7.416 1.00 0.00 C ATOM 979 O LEU A 70 6.539 2.760 8.405 1.00 0.00 O ATOM 980 CB LEU A 70 8.523 1.583 6.199 1.00 0.00 C ATOM 981 CG LEU A 70 8.859 0.817 4.918 1.00 0.00 C ATOM 982 CD1 LEU A 70 10.372 0.685 4.738 1.00 0.00 C ATOM 983 CD2 LEU A 70 8.158 -0.544 4.893 1.00 0.00 C ATOM 0 H LEU A 70 8.149 3.214 4.378 1.00 0.00 H new ATOM 0 HA LEU A 70 6.435 1.802 6.027 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.381 2.201 6.465 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.388 0.862 7.005 1.00 0.00 H new ATOM 0 HG LEU A 70 8.483 1.389 4.070 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.583 0.136 3.820 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.819 1.677 4.679 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.794 0.147 5.587 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.414 -1.068 3.972 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.482 -1.136 5.749 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.079 -0.398 4.940 1.00 0.00 H new ATOM 994 N GLU A 71 7.428 4.555 7.354 1.00 0.00 N ATOM 995 CA GLU A 71 7.264 5.442 8.493 1.00 0.00 C ATOM 996 C GLU A 71 5.875 6.082 8.472 1.00 0.00 C ATOM 997 O GLU A 71 5.092 5.904 9.404 1.00 0.00 O ATOM 998 CB GLU A 71 8.359 6.510 8.517 1.00 0.00 C ATOM 999 CG GLU A 71 9.658 5.951 9.103 1.00 0.00 C ATOM 1000 CD GLU A 71 10.544 7.074 9.644 1.00 0.00 C ATOM 1001 OE1 GLU A 71 10.180 7.623 10.705 1.00 0.00 O ATOM 1002 OE2 GLU A 71 11.567 7.358 8.983 1.00 0.00 O ATOM 0 H GLU A 71 7.849 4.989 6.533 1.00 0.00 H new ATOM 0 HA GLU A 71 7.357 4.852 9.405 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.539 6.874 7.505 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.027 7.363 9.108 1.00 0.00 H new ATOM 0 HG2 GLU A 71 9.427 5.248 9.903 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.197 5.395 8.336 1.00 0.00 H new ATOM 1007 N HIS A 72 5.611 6.814 7.399 1.00 0.00 N ATOM 1008 CA HIS A 72 4.330 7.481 7.244 1.00 0.00 C ATOM 1009 C HIS A 72 3.231 6.438 7.030 1.00 0.00 C ATOM 1010 O HIS A 72 2.045 6.763 7.068 1.00 0.00 O ATOM 1011 CB HIS A 72 4.389 8.518 6.122 1.00 0.00 C ATOM 1012 CG HIS A 72 5.412 9.607 6.346 1.00 0.00 C ATOM 1013 ND1 HIS A 72 5.138 10.947 6.138 1.00 0.00 N ATOM 1014 CD2 HIS A 72 6.709 9.539 6.762 1.00 0.00 C ATOM 1015 CE1 HIS A 72 6.228 11.646 6.418 1.00 0.00 C ATOM 1016 NE2 HIS A 72 7.201 10.771 6.804 1.00 0.00 N ATOM 0 H HIS A 72 6.263 6.960 6.628 1.00 0.00 H new ATOM 0 HA HIS A 72 4.090 8.030 8.154 1.00 0.00 H new ATOM 0 HB2 HIS A 72 4.613 8.011 5.184 1.00 0.00 H new ATOM 0 HB3 HIS A 72 3.406 8.975 6.011 1.00 0.00 H new ATOM 0 HD2 HIS A 72 7.245 8.636 7.014 1.00 0.00 H new ATOM 0 HE1 HIS A 72 6.329 12.719 6.352 1.00 0.00 H new ATOM 0 HE2 HIS A 72 8.150 11.022 7.080 1.00 0.00 H new ATOM 1023 N SER A 73 3.664 5.205 6.809 1.00 0.00 N ATOM 1024 CA SER A 73 2.732 4.112 6.588 1.00 0.00 C ATOM 1025 C SER A 73 1.771 3.997 7.773 1.00 0.00 C ATOM 1026 O SER A 73 0.699 3.406 7.653 1.00 0.00 O ATOM 1027 CB SER A 73 3.473 2.791 6.375 1.00 0.00 C ATOM 1028 OG SER A 73 4.115 2.739 5.104 1.00 0.00 O ATOM 0 H SER A 73 4.648 4.939 6.778 1.00 0.00 H new ATOM 0 HA SER A 73 2.161 4.326 5.685 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.216 2.661 7.162 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.770 1.963 6.460 1.00 0.00 H new ATOM 0 HG SER A 73 4.304 3.650 4.795 1.00 0.00 H new ATOM 1033 N HIS A 74 2.190 4.570 8.893 1.00 0.00 N ATOM 1034 CA HIS A 74 1.381 4.539 10.098 1.00 0.00 C ATOM 1035 C HIS A 74 0.071 5.292 9.857 1.00 0.00 C ATOM 1036 O HIS A 74 -0.901 5.103 10.587 1.00 0.00 O ATOM 1037 CB HIS A 74 2.165 5.082 11.294 1.00 0.00 C ATOM 1038 CG HIS A 74 1.920 6.545 11.577 1.00 0.00 C ATOM 1039 ND1 HIS A 74 0.817 6.998 12.280 1.00 0.00 N ATOM 1040 CD2 HIS A 74 2.645 7.651 11.244 1.00 0.00 C ATOM 1041 CE1 HIS A 74 0.885 8.318 12.361 1.00 0.00 C ATOM 1042 NE2 HIS A 74 2.019 8.722 11.718 1.00 0.00 N ATOM 0 H HIS A 74 3.080 5.058 8.990 1.00 0.00 H new ATOM 0 HA HIS A 74 1.127 3.507 10.342 1.00 0.00 H new ATOM 0 HB2 HIS A 74 1.904 4.503 12.180 1.00 0.00 H new ATOM 0 HB3 HIS A 74 3.230 4.930 11.116 1.00 0.00 H new ATOM 0 HD1 HIS A 74 0.077 6.414 12.670 1.00 0.00 H new ATOM 0 HD2 HIS A 74 3.571 7.655 10.689 1.00 0.00 H new ATOM 0 HE1 HIS A 74 0.169 8.962 12.850 1.00 0.00 H new ATOM 1049 N ARG A 75 0.088 6.129 8.830 1.00 0.00 N ATOM 1050 CA ARG A 75 -1.087 6.910 8.484 1.00 0.00 C ATOM 1051 C ARG A 75 -1.688 6.411 7.168 1.00 0.00 C ATOM 1052 O ARG A 75 -2.899 6.488 6.966 1.00 0.00 O ATOM 1053 CB ARG A 75 -0.740 8.394 8.346 1.00 0.00 C ATOM 1054 CG ARG A 75 0.586 8.714 9.040 1.00 0.00 C ATOM 1055 CD ARG A 75 0.728 10.218 9.285 1.00 0.00 C ATOM 1056 NE ARG A 75 2.077 10.519 9.815 1.00 0.00 N ATOM 1057 CZ ARG A 75 2.423 11.689 10.368 1.00 0.00 C ATOM 1058 NH1 ARG A 75 1.522 12.676 10.466 1.00 0.00 N ATOM 1059 NH2 ARG A 75 3.671 11.874 10.822 1.00 0.00 N ATOM 0 H ARG A 75 0.896 6.283 8.227 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.813 6.790 9.288 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.676 8.659 7.291 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -1.537 8.999 8.779 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.642 8.181 9.989 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.416 8.362 8.427 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.563 10.763 8.356 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.032 10.553 9.991 1.00 0.00 H new ATOM 0 HE ARG A 75 2.788 9.790 9.755 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.573 12.536 10.120 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.785 13.567 10.887 1.00 0.00 H new ATOM 0 HH21 ARG A 75 4.358 11.124 10.746 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.934 12.765 11.243 1.00 0.00 H new ATOM 1070 N ILE A 76 -0.814 5.909 6.307 1.00 0.00 N ATOM 1071 CA ILE A 76 -1.244 5.397 5.018 1.00 0.00 C ATOM 1072 C ILE A 76 -2.553 4.625 5.191 1.00 0.00 C ATOM 1073 O ILE A 76 -2.631 3.701 5.999 1.00 0.00 O ATOM 1074 CB ILE A 76 -0.128 4.577 4.368 1.00 0.00 C ATOM 1075 CG1 ILE A 76 1.052 5.470 3.976 1.00 0.00 C ATOM 1076 CG2 ILE A 76 -0.659 3.773 3.179 1.00 0.00 C ATOM 1077 CD1 ILE A 76 2.156 4.655 3.301 1.00 0.00 C ATOM 0 H ILE A 76 0.190 5.846 6.478 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.447 6.218 4.331 1.00 0.00 H new ATOM 0 HB ILE A 76 0.241 3.860 5.102 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.710 6.255 3.301 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.450 5.963 4.863 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.155 3.199 2.735 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.439 3.092 3.519 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.071 4.454 2.434 1.00 0.00 H new ATOM 0 HD11 ILE A 76 2.982 5.314 3.033 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.512 3.887 3.987 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.761 4.183 2.401 1.00 0.00 H new ATOM 1088 N ARG A 77 -3.549 5.031 4.418 1.00 0.00 N ATOM 1089 CA ARG A 77 -4.852 4.388 4.477 1.00 0.00 C ATOM 1090 C ARG A 77 -5.438 4.249 3.070 1.00 0.00 C ATOM 1091 O ARG A 77 -5.459 5.211 2.304 1.00 0.00 O ATOM 1092 CB ARG A 77 -5.822 5.188 5.349 1.00 0.00 C ATOM 1093 CG ARG A 77 -5.722 4.760 6.814 1.00 0.00 C ATOM 1094 CD ARG A 77 -6.819 3.754 7.168 1.00 0.00 C ATOM 1095 NE ARG A 77 -6.857 3.540 8.632 1.00 0.00 N ATOM 1096 CZ ARG A 77 -7.723 2.726 9.250 1.00 0.00 C ATOM 1097 NH1 ARG A 77 -8.628 2.043 8.535 1.00 0.00 N ATOM 1098 NH2 ARG A 77 -7.685 2.594 10.582 1.00 0.00 N ATOM 0 H ARG A 77 -3.481 5.797 3.748 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.716 3.400 4.918 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -5.602 6.252 5.261 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.842 5.043 4.993 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.744 4.317 7.001 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.804 5.635 7.459 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.785 4.120 6.821 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -6.634 2.808 6.659 1.00 0.00 H new ATOM 0 HE ARG A 77 -6.181 4.044 9.206 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -8.657 2.143 7.520 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -9.287 1.423 9.006 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.996 3.113 11.127 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -8.345 1.974 11.052 1.00 0.00 H new ATOM 1109 N PHE A 78 -5.899 3.043 2.773 1.00 0.00 N ATOM 1110 CA PHE A 78 -6.484 2.764 1.472 1.00 0.00 C ATOM 1111 C PHE A 78 -7.964 3.148 1.444 1.00 0.00 C ATOM 1112 O PHE A 78 -8.635 3.127 2.475 1.00 0.00 O ATOM 1113 CB PHE A 78 -6.354 1.259 1.237 1.00 0.00 C ATOM 1114 CG PHE A 78 -4.966 0.818 0.770 1.00 0.00 C ATOM 1115 CD1 PHE A 78 -3.856 1.285 1.403 1.00 0.00 C ATOM 1116 CD2 PHE A 78 -4.840 -0.041 -0.277 1.00 0.00 C ATOM 1117 CE1 PHE A 78 -2.567 0.877 0.970 1.00 0.00 C ATOM 1118 CE2 PHE A 78 -3.550 -0.449 -0.709 1.00 0.00 C ATOM 1119 CZ PHE A 78 -2.442 0.018 -0.077 1.00 0.00 C ATOM 0 H PHE A 78 -5.879 2.247 3.411 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.972 3.341 0.702 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.598 0.735 2.161 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -7.090 0.953 0.493 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -3.955 1.966 2.235 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -5.721 -0.413 -0.780 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.686 1.249 1.472 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -3.450 -1.131 -1.540 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.461 -0.293 -0.406 1.00 0.00 H new ATOM 1128 N LYS A 79 -8.432 3.489 0.251 1.00 0.00 N ATOM 1129 CA LYS A 79 -9.821 3.877 0.075 1.00 0.00 C ATOM 1130 C LYS A 79 -10.388 3.175 -1.160 1.00 0.00 C ATOM 1131 O LYS A 79 -9.923 3.402 -2.277 1.00 0.00 O ATOM 1132 CB LYS A 79 -9.950 5.401 0.030 1.00 0.00 C ATOM 1133 CG LYS A 79 -9.990 5.990 1.440 1.00 0.00 C ATOM 1134 CD LYS A 79 -11.430 6.118 1.941 1.00 0.00 C ATOM 1135 CE LYS A 79 -12.148 7.283 1.258 1.00 0.00 C ATOM 1136 NZ LYS A 79 -13.347 7.677 2.029 1.00 0.00 N ATOM 0 H LYS A 79 -7.873 3.504 -0.602 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.418 3.555 0.928 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.110 5.824 -0.521 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.856 5.677 -0.509 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.420 5.356 2.119 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.512 6.970 1.442 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -11.969 5.191 1.748 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.431 6.269 3.021 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.471 8.133 1.168 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.437 6.997 0.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -13.822 8.469 1.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.999 6.870 2.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.064 7.970 2.986 1.00 0.00 H new ATOM 1146 N LEU A 80 -11.386 2.336 -0.919 1.00 0.00 N ATOM 1147 CA LEU A 80 -12.021 1.599 -1.997 1.00 0.00 C ATOM 1148 C LEU A 80 -13.227 2.390 -2.507 1.00 0.00 C ATOM 1149 O LEU A 80 -13.922 3.042 -1.729 1.00 0.00 O ATOM 1150 CB LEU A 80 -12.364 0.178 -1.546 1.00 0.00 C ATOM 1151 CG LEU A 80 -11.232 -0.847 -1.641 1.00 0.00 C ATOM 1152 CD1 LEU A 80 -11.713 -2.235 -1.212 1.00 0.00 C ATOM 1153 CD2 LEU A 80 -10.619 -0.860 -3.042 1.00 0.00 C ATOM 0 H LEU A 80 -11.770 2.151 0.008 1.00 0.00 H new ATOM 0 HA LEU A 80 -11.335 1.485 -2.836 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -12.705 0.219 -0.511 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.202 -0.179 -2.144 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.444 -0.551 -0.949 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -10.890 -2.945 -1.289 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -12.064 -2.196 -0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -12.529 -2.554 -1.861 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.817 -1.597 -3.081 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -11.386 -1.118 -3.772 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.217 0.126 -3.272 1.00 0.00 H new ATOM 1164 N LYS A 81 -13.441 2.307 -3.813 1.00 0.00 N ATOM 1165 CA LYS A 81 -14.551 3.006 -4.436 1.00 0.00 C ATOM 1166 C LYS A 81 -15.842 2.674 -3.687 1.00 0.00 C ATOM 1167 O LYS A 81 -16.581 3.572 -3.287 1.00 0.00 O ATOM 1168 CB LYS A 81 -14.609 2.693 -5.933 1.00 0.00 C ATOM 1169 CG LYS A 81 -15.102 3.904 -6.728 1.00 0.00 C ATOM 1170 CD LYS A 81 -15.531 3.497 -8.139 1.00 0.00 C ATOM 1171 CE LYS A 81 -15.268 4.623 -9.139 1.00 0.00 C ATOM 1172 NZ LYS A 81 -16.213 5.742 -8.922 1.00 0.00 N ATOM 0 H LYS A 81 -12.863 1.766 -4.456 1.00 0.00 H new ATOM 0 HA LYS A 81 -14.410 4.085 -4.365 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -13.620 2.400 -6.285 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -15.273 1.846 -6.106 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -15.941 4.367 -6.209 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -14.311 4.652 -6.786 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -14.989 2.602 -8.443 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -16.591 3.244 -8.142 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -14.243 4.979 -9.033 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -15.371 4.245 -10.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -16.020 6.498 -9.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -17.188 5.402 -9.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -16.096 6.113 -7.958 1.00 0.00 H new