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 -123:sc= -0.446 (180deg=-3.59!) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.145 USER MOD Single : A 21 SER OG : rot 129:sc= 1.07 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 2:sc= 0.798 USER MOD Single : A 47 GLN : amide:sc= -0.238 X(o=-0.24,f=-0.37) USER MOD Single : A 61 TYR OH : rot 83:sc= 0.418 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -106:sc= -5.24! (180deg=-12!) USER MOD Single : A 72 HIS :FLIP no HE2:sc= -1.35 F(o=-2.6,f=-1.3) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -4.01! C(o=-4!,f=-5.3!) 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 13.836 -2.786 2.322 1.00 0.00 N ATOM 63 CA LEU A 8 13.041 -1.570 2.341 1.00 0.00 C ATOM 64 C LEU A 8 11.852 -1.729 1.392 1.00 0.00 C ATOM 65 O LEU A 8 10.701 -1.588 1.803 1.00 0.00 O ATOM 66 CB LEU A 8 13.916 -0.352 2.033 1.00 0.00 C ATOM 67 CG LEU A 8 14.626 0.283 3.230 1.00 0.00 C ATOM 68 CD1 LEU A 8 15.240 1.632 2.850 1.00 0.00 C ATOM 69 CD2 LEU A 8 13.683 0.399 4.429 1.00 0.00 C ATOM 0 HA LEU A 8 12.634 -1.397 3.337 1.00 0.00 H new ATOM 0 HB2 LEU A 8 14.670 -0.646 1.303 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.294 0.408 1.560 1.00 0.00 H new ATOM 0 HG LEU A 8 15.445 -0.371 3.528 1.00 0.00 H new ATOM 0 HD11 LEU A 8 15.739 2.062 3.718 1.00 0.00 H new ATOM 0 HD12 LEU A 8 15.965 1.489 2.049 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.454 2.307 2.511 1.00 0.00 H new ATOM 0 HD21 LEU A 8 14.213 0.854 5.266 1.00 0.00 H new ATOM 0 HD22 LEU A 8 12.828 1.020 4.161 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.335 -0.593 4.716 1.00 0.00 H new ATOM 80 N ARG A 9 12.171 -2.019 0.139 1.00 0.00 N ATOM 81 CA ARG A 9 11.144 -2.198 -0.872 1.00 0.00 C ATOM 82 C ARG A 9 10.274 -3.412 -0.537 1.00 0.00 C ATOM 83 O ARG A 9 9.083 -3.431 -0.842 1.00 0.00 O ATOM 84 CB ARG A 9 11.762 -2.389 -2.259 1.00 0.00 C ATOM 85 CG ARG A 9 10.683 -2.402 -3.344 1.00 0.00 C ATOM 86 CD ARG A 9 10.765 -3.679 -4.183 1.00 0.00 C ATOM 87 NE ARG A 9 12.113 -3.807 -4.780 1.00 0.00 N ATOM 88 CZ ARG A 9 12.478 -4.796 -5.606 1.00 0.00 C ATOM 89 NH1 ARG A 9 11.598 -5.752 -5.938 1.00 0.00 N ATOM 90 NH2 ARG A 9 13.723 -4.833 -6.100 1.00 0.00 N ATOM 0 H ARG A 9 13.127 -2.134 -0.199 1.00 0.00 H new ATOM 0 HA ARG A 9 10.529 -1.298 -0.882 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.473 -1.587 -2.458 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.321 -3.324 -2.286 1.00 0.00 H new ATOM 0 HG2 ARG A 9 9.698 -2.328 -2.883 1.00 0.00 H new ATOM 0 HG3 ARG A 9 10.800 -1.531 -3.989 1.00 0.00 H new ATOM 0 HD2 ARG A 9 10.550 -4.547 -3.560 1.00 0.00 H new ATOM 0 HD3 ARG A 9 10.011 -3.656 -4.969 1.00 0.00 H new ATOM 0 HE ARG A 9 12.808 -3.097 -4.548 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.650 -5.726 -5.561 1.00 0.00 H new ATOM 0 HH12 ARG A 9 11.876 -6.505 -6.567 1.00 0.00 H new ATOM 0 HH21 ARG A 9 14.394 -4.107 -5.847 1.00 0.00 H new ATOM 0 HH22 ARG A 9 14.000 -5.587 -6.729 1.00 0.00 H new ATOM 101 N LYS A 10 10.905 -4.397 0.085 1.00 0.00 N ATOM 102 CA LYS A 10 10.205 -5.612 0.465 1.00 0.00 C ATOM 103 C LYS A 10 9.282 -5.315 1.649 1.00 0.00 C ATOM 104 O LYS A 10 8.249 -5.963 1.814 1.00 0.00 O ATOM 105 CB LYS A 10 11.200 -6.744 0.729 1.00 0.00 C ATOM 106 CG LYS A 10 10.522 -7.914 1.447 1.00 0.00 C ATOM 107 CD LYS A 10 9.317 -8.419 0.652 1.00 0.00 C ATOM 108 CE LYS A 10 9.761 -9.292 -0.523 1.00 0.00 C ATOM 109 NZ LYS A 10 8.612 -9.600 -1.403 1.00 0.00 N ATOM 0 H LYS A 10 11.894 -4.378 0.335 1.00 0.00 H new ATOM 0 HA LYS A 10 9.573 -5.959 -0.353 1.00 0.00 H new ATOM 0 HB2 LYS A 10 11.624 -7.088 -0.215 1.00 0.00 H new ATOM 0 HB3 LYS A 10 12.027 -6.372 1.333 1.00 0.00 H new ATOM 0 HG2 LYS A 10 11.237 -8.725 1.585 1.00 0.00 H new ATOM 0 HG3 LYS A 10 10.201 -7.600 2.440 1.00 0.00 H new ATOM 0 HD2 LYS A 10 8.659 -8.991 1.306 1.00 0.00 H new ATOM 0 HD3 LYS A 10 8.740 -7.571 0.282 1.00 0.00 H new ATOM 0 HE2 LYS A 10 10.536 -8.779 -1.093 1.00 0.00 H new ATOM 0 HE3 LYS A 10 10.200 -10.218 -0.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 8.931 -10.193 -2.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 7.885 -10.109 -0.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 8.211 -8.715 -1.773 1.00 0.00 H new ATOM 119 N MET A 11 9.689 -4.335 2.444 1.00 0.00 N ATOM 120 CA MET A 11 8.912 -3.946 3.608 1.00 0.00 C ATOM 121 C MET A 11 7.603 -3.272 3.193 1.00 0.00 C ATOM 122 O MET A 11 6.525 -3.687 3.616 1.00 0.00 O ATOM 123 CB MET A 11 9.732 -2.981 4.468 1.00 0.00 C ATOM 124 CG MET A 11 10.834 -3.723 5.225 1.00 0.00 C ATOM 125 SD MET A 11 10.663 -3.447 6.980 1.00 0.00 S ATOM 126 CE MET A 11 11.565 -1.914 7.141 1.00 0.00 C ATOM 0 H MET A 11 10.546 -3.800 2.304 1.00 0.00 H new ATOM 0 HA MET A 11 8.672 -4.843 4.179 1.00 0.00 H new ATOM 0 HB2 MET A 11 10.175 -2.211 3.836 1.00 0.00 H new ATOM 0 HB3 MET A 11 9.077 -2.474 5.177 1.00 0.00 H new ATOM 0 HG2 MET A 11 10.779 -4.790 5.010 1.00 0.00 H new ATOM 0 HG3 MET A 11 11.812 -3.380 4.888 1.00 0.00 H new ATOM 0 HE1 MET A 11 12.371 -2.040 7.864 1.00 0.00 H new ATOM 0 HE2 MET A 11 11.985 -1.636 6.174 1.00 0.00 H new ATOM 0 HE3 MET A 11 10.890 -1.129 7.483 1.00 0.00 H new ATOM 134 N VAL A 12 7.739 -2.244 2.367 1.00 0.00 N ATOM 135 CA VAL A 12 6.579 -1.510 1.889 1.00 0.00 C ATOM 136 C VAL A 12 5.731 -2.424 1.002 1.00 0.00 C ATOM 137 O VAL A 12 4.504 -2.360 1.032 1.00 0.00 O ATOM 138 CB VAL A 12 7.026 -0.232 1.177 1.00 0.00 C ATOM 139 CG1 VAL A 12 8.238 -0.499 0.282 1.00 0.00 C ATOM 140 CG2 VAL A 12 5.876 0.381 0.376 1.00 0.00 C ATOM 0 H VAL A 12 8.634 -1.902 2.017 1.00 0.00 H new ATOM 0 HA VAL A 12 5.953 -1.198 2.725 1.00 0.00 H new ATOM 0 HB VAL A 12 7.324 0.489 1.938 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.536 0.426 -0.213 1.00 0.00 H new ATOM 0 HG12 VAL A 12 9.064 -0.868 0.889 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.978 -1.245 -0.469 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.221 1.288 -0.120 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.532 -0.333 -0.372 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.054 0.626 1.049 1.00 0.00 H new ATOM 150 N GLU A 13 6.421 -3.254 0.233 1.00 0.00 N ATOM 151 CA GLU A 13 5.748 -4.179 -0.662 1.00 0.00 C ATOM 152 C GLU A 13 4.487 -4.736 0.002 1.00 0.00 C ATOM 153 O GLU A 13 3.432 -4.810 -0.625 1.00 0.00 O ATOM 154 CB GLU A 13 6.687 -5.308 -1.091 1.00 0.00 C ATOM 155 CG GLU A 13 7.520 -4.897 -2.306 1.00 0.00 C ATOM 156 CD GLU A 13 6.964 -5.519 -3.588 1.00 0.00 C ATOM 157 OE1 GLU A 13 5.721 -5.607 -3.683 1.00 0.00 O ATOM 158 OE2 GLU A 13 7.794 -5.892 -4.445 1.00 0.00 O ATOM 0 H GLU A 13 7.440 -3.305 0.212 1.00 0.00 H new ATOM 0 HA GLU A 13 5.453 -3.636 -1.560 1.00 0.00 H new ATOM 0 HB2 GLU A 13 7.348 -5.570 -0.265 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.105 -6.199 -1.329 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.525 -3.811 -2.397 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.555 -5.210 -2.165 1.00 0.00 H new ATOM 163 N GLU A 14 4.639 -5.114 1.263 1.00 0.00 N ATOM 164 CA GLU A 14 3.525 -5.663 2.019 1.00 0.00 C ATOM 165 C GLU A 14 2.611 -4.538 2.508 1.00 0.00 C ATOM 166 O GLU A 14 1.388 -4.675 2.492 1.00 0.00 O ATOM 167 CB GLU A 14 4.023 -6.513 3.190 1.00 0.00 C ATOM 168 CG GLU A 14 4.193 -5.663 4.451 1.00 0.00 C ATOM 169 CD GLU A 14 4.975 -6.424 5.523 1.00 0.00 C ATOM 170 OE1 GLU A 14 6.200 -6.577 5.330 1.00 0.00 O ATOM 171 OE2 GLU A 14 4.330 -6.833 6.513 1.00 0.00 O ATOM 0 H GLU A 14 5.516 -5.051 1.780 1.00 0.00 H new ATOM 0 HA GLU A 14 2.949 -6.313 1.360 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.317 -7.321 3.384 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.974 -6.977 2.929 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.714 -4.738 4.203 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.214 -5.383 4.840 1.00 0.00 H new ATOM 176 N VAL A 15 3.238 -3.450 2.931 1.00 0.00 N ATOM 177 CA VAL A 15 2.495 -2.302 3.424 1.00 0.00 C ATOM 178 C VAL A 15 1.351 -1.988 2.458 1.00 0.00 C ATOM 179 O VAL A 15 0.338 -1.414 2.856 1.00 0.00 O ATOM 180 CB VAL A 15 3.442 -1.119 3.636 1.00 0.00 C ATOM 181 CG1 VAL A 15 2.658 0.176 3.860 1.00 0.00 C ATOM 182 CG2 VAL A 15 4.402 -1.387 4.796 1.00 0.00 C ATOM 0 H VAL A 15 4.252 -3.339 2.943 1.00 0.00 H new ATOM 0 HA VAL A 15 2.049 -2.522 4.394 1.00 0.00 H new ATOM 0 HB VAL A 15 4.037 -0.998 2.731 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.354 1.002 4.008 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.034 0.379 2.989 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.027 0.071 4.742 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.064 -0.531 4.926 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.832 -1.546 5.711 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.996 -2.275 4.579 1.00 0.00 H new ATOM 192 N PHE A 16 1.552 -2.376 1.208 1.00 0.00 N ATOM 193 CA PHE A 16 0.549 -2.142 0.181 1.00 0.00 C ATOM 194 C PHE A 16 -0.322 -3.383 -0.026 1.00 0.00 C ATOM 195 O PHE A 16 -1.460 -3.277 -0.481 1.00 0.00 O ATOM 196 CB PHE A 16 1.299 -1.838 -1.116 1.00 0.00 C ATOM 197 CG PHE A 16 1.914 -0.437 -1.166 1.00 0.00 C ATOM 198 CD1 PHE A 16 1.264 0.611 -0.593 1.00 0.00 C ATOM 199 CD2 PHE A 16 3.110 -0.241 -1.782 1.00 0.00 C ATOM 200 CE1 PHE A 16 1.834 1.911 -0.639 1.00 0.00 C ATOM 201 CE2 PHE A 16 3.681 1.059 -1.828 1.00 0.00 C ATOM 202 CZ PHE A 16 3.030 2.108 -1.257 1.00 0.00 C ATOM 0 H PHE A 16 2.394 -2.851 0.882 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.102 -1.319 0.477 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.090 -2.576 -1.247 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.613 -1.953 -1.956 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.314 0.455 -0.103 1.00 0.00 H new ATOM 0 HD2 PHE A 16 3.626 -1.074 -2.236 1.00 0.00 H new ATOM 0 HE1 PHE A 16 1.318 2.743 -0.183 1.00 0.00 H new ATOM 0 HE2 PHE A 16 4.632 1.214 -2.316 1.00 0.00 H new ATOM 0 HZ PHE A 16 3.462 3.097 -1.294 1.00 0.00 H new ATOM 211 N ASP A 17 0.245 -4.529 0.317 1.00 0.00 N ATOM 212 CA ASP A 17 -0.466 -5.789 0.174 1.00 0.00 C ATOM 213 C ASP A 17 -1.276 -6.059 1.444 1.00 0.00 C ATOM 214 O ASP A 17 -2.114 -6.960 1.469 1.00 0.00 O ATOM 215 CB ASP A 17 0.509 -6.952 -0.021 1.00 0.00 C ATOM 216 CG ASP A 17 0.989 -7.617 1.270 1.00 0.00 C ATOM 217 OD1 ASP A 17 0.905 -6.944 2.320 1.00 0.00 O ATOM 218 OD2 ASP A 17 1.432 -8.782 1.178 1.00 0.00 O ATOM 0 H ASP A 17 1.189 -4.613 0.694 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.116 -5.713 -0.698 1.00 0.00 H new ATOM 0 HB2 ASP A 17 0.030 -7.707 -0.644 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.378 -6.590 -0.570 1.00 0.00 H new ATOM 222 N VAL A 18 -0.999 -5.262 2.466 1.00 0.00 N ATOM 223 CA VAL A 18 -1.692 -5.404 3.735 1.00 0.00 C ATOM 224 C VAL A 18 -2.883 -4.445 3.771 1.00 0.00 C ATOM 225 O VAL A 18 -4.030 -4.868 3.642 1.00 0.00 O ATOM 226 CB VAL A 18 -0.715 -5.188 4.891 1.00 0.00 C ATOM 227 CG1 VAL A 18 -1.462 -4.955 6.206 1.00 0.00 C ATOM 228 CG2 VAL A 18 0.257 -6.364 5.016 1.00 0.00 C ATOM 0 H VAL A 18 -0.304 -4.516 2.441 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.086 -6.415 3.844 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.133 -4.293 4.672 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.743 -4.804 7.011 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.094 -4.072 6.114 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.082 -5.823 6.431 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.941 -6.184 5.846 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.303 -7.281 5.199 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.827 -6.465 4.092 1.00 0.00 H new ATOM 238 N LEU A 19 -2.568 -3.169 3.947 1.00 0.00 N ATOM 239 CA LEU A 19 -3.599 -2.146 4.001 1.00 0.00 C ATOM 240 C LEU A 19 -4.688 -2.469 2.977 1.00 0.00 C ATOM 241 O LEU A 19 -5.875 -2.318 3.259 1.00 0.00 O ATOM 242 CB LEU A 19 -2.983 -0.756 3.827 1.00 0.00 C ATOM 243 CG LEU A 19 -1.839 -0.405 4.781 1.00 0.00 C ATOM 244 CD1 LEU A 19 -1.424 1.060 4.621 1.00 0.00 C ATOM 245 CD2 LEU A 19 -2.209 -0.740 6.227 1.00 0.00 C ATOM 0 H LEU A 19 -1.615 -2.821 4.054 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.076 -2.138 4.981 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.617 -0.668 2.804 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.771 -0.013 3.948 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.975 -1.016 4.520 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.610 1.285 5.310 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.092 1.234 3.597 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.274 1.705 4.842 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.379 -0.481 6.884 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.093 -0.172 6.517 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.419 -1.806 6.311 1.00 0.00 H new ATOM 256 N TYR A 20 -4.245 -2.908 1.808 1.00 0.00 N ATOM 257 CA TYR A 20 -5.167 -3.254 0.740 1.00 0.00 C ATOM 258 C TYR A 20 -6.121 -4.366 1.179 1.00 0.00 C ATOM 259 O TYR A 20 -7.334 -4.163 1.236 1.00 0.00 O ATOM 260 CB TYR A 20 -4.304 -3.765 -0.414 1.00 0.00 C ATOM 261 CG TYR A 20 -5.103 -4.203 -1.643 1.00 0.00 C ATOM 262 CD1 TYR A 20 -6.158 -3.434 -2.090 1.00 0.00 C ATOM 263 CD2 TYR A 20 -4.768 -5.367 -2.306 1.00 0.00 C ATOM 264 CE1 TYR A 20 -6.910 -3.845 -3.247 1.00 0.00 C ATOM 265 CE2 TYR A 20 -5.521 -5.778 -3.462 1.00 0.00 C ATOM 266 CZ TYR A 20 -6.554 -4.997 -3.875 1.00 0.00 C ATOM 267 OH TYR A 20 -7.264 -5.386 -4.968 1.00 0.00 O ATOM 0 H TYR A 20 -3.259 -3.032 1.577 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.770 -2.391 0.460 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.607 -2.980 -0.708 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.707 -4.607 -0.063 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -6.420 -2.523 -1.572 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.942 -5.969 -1.958 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -7.738 -3.252 -3.608 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.271 -6.687 -3.989 1.00 0.00 H new ATOM 0 HH TYR A 20 -6.897 -6.226 -5.314 1.00 0.00 H new ATOM 276 N SER A 21 -5.539 -5.518 1.478 1.00 0.00 N ATOM 277 CA SER A 21 -6.323 -6.663 1.910 1.00 0.00 C ATOM 278 C SER A 21 -7.245 -6.261 3.063 1.00 0.00 C ATOM 279 O SER A 21 -8.376 -6.737 3.152 1.00 0.00 O ATOM 280 CB SER A 21 -5.418 -7.821 2.334 1.00 0.00 C ATOM 281 OG SER A 21 -6.167 -8.940 2.802 1.00 0.00 O ATOM 0 H SER A 21 -4.534 -5.683 1.430 1.00 0.00 H new ATOM 0 HA SER A 21 -6.929 -7.000 1.069 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.800 -8.126 1.490 1.00 0.00 H new ATOM 0 HB3 SER A 21 -4.741 -7.484 3.119 1.00 0.00 H new ATOM 0 HG SER A 21 -5.871 -9.750 2.336 1.00 0.00 H new ATOM 286 N GLU A 22 -6.729 -5.389 3.915 1.00 0.00 N ATOM 287 CA GLU A 22 -7.493 -4.918 5.058 1.00 0.00 C ATOM 288 C GLU A 22 -8.734 -4.154 4.589 1.00 0.00 C ATOM 289 O GLU A 22 -9.849 -4.462 5.006 1.00 0.00 O ATOM 290 CB GLU A 22 -6.629 -4.048 5.974 1.00 0.00 C ATOM 291 CG GLU A 22 -5.511 -4.872 6.617 1.00 0.00 C ATOM 292 CD GLU A 22 -6.052 -5.730 7.762 1.00 0.00 C ATOM 293 OE1 GLU A 22 -6.213 -5.167 8.866 1.00 0.00 O ATOM 294 OE2 GLU A 22 -6.291 -6.930 7.507 1.00 0.00 O ATOM 0 H GLU A 22 -5.791 -4.996 3.837 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.819 -5.784 5.634 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.197 -3.227 5.401 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.250 -3.602 6.751 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.048 -5.512 5.866 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.734 -4.207 6.992 1.00 0.00 H new ATOM 299 N ALA A 23 -8.497 -3.175 3.729 1.00 0.00 N ATOM 300 CA ALA A 23 -9.582 -2.366 3.199 1.00 0.00 C ATOM 301 C ALA A 23 -10.515 -3.252 2.371 1.00 0.00 C ATOM 302 O ALA A 23 -11.712 -2.986 2.284 1.00 0.00 O ATOM 303 CB ALA A 23 -9.003 -1.206 2.385 1.00 0.00 C ATOM 0 H ALA A 23 -7.570 -2.923 3.386 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.171 -1.934 4.008 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.816 -0.599 1.987 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.371 -0.591 3.026 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.408 -1.601 1.561 1.00 0.00 H new ATOM 309 N LEU A 24 -9.930 -4.286 1.784 1.00 0.00 N ATOM 310 CA LEU A 24 -10.695 -5.212 0.966 1.00 0.00 C ATOM 311 C LEU A 24 -11.519 -6.126 1.874 1.00 0.00 C ATOM 312 O LEU A 24 -12.510 -6.710 1.438 1.00 0.00 O ATOM 313 CB LEU A 24 -9.772 -5.967 0.008 1.00 0.00 C ATOM 314 CG LEU A 24 -9.899 -5.603 -1.472 1.00 0.00 C ATOM 315 CD1 LEU A 24 -8.840 -6.325 -2.308 1.00 0.00 C ATOM 316 CD2 LEU A 24 -11.316 -5.874 -1.984 1.00 0.00 C ATOM 0 H LEU A 24 -8.936 -4.503 1.858 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.399 -4.671 0.334 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.741 -5.795 0.317 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.963 -7.035 0.117 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.717 -4.533 -1.577 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.953 -6.048 -3.356 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.847 -6.039 -1.962 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.965 -7.403 -2.202 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.379 -5.607 -3.039 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.551 -6.932 -1.863 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.029 -5.277 -1.415 1.00 0.00 H new ATOM 327 N GLY A 25 -11.081 -6.221 3.121 1.00 0.00 N ATOM 328 CA GLY A 25 -11.767 -7.054 4.094 1.00 0.00 C ATOM 329 C GLY A 25 -11.652 -8.535 3.726 1.00 0.00 C ATOM 330 O GLY A 25 -12.629 -9.277 3.812 1.00 0.00 O ATOM 0 H GLY A 25 -10.259 -5.735 3.480 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -11.343 -6.888 5.084 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.818 -6.769 4.146 1.00 0.00 H new ATOM 334 N ARG A 26 -10.450 -8.920 3.324 1.00 0.00 N ATOM 335 CA ARG A 26 -10.195 -10.299 2.943 1.00 0.00 C ATOM 336 C ARG A 26 -9.588 -11.071 4.117 1.00 0.00 C ATOM 337 O ARG A 26 -9.290 -10.489 5.159 1.00 0.00 O ATOM 338 CB ARG A 26 -9.243 -10.373 1.748 1.00 0.00 C ATOM 339 CG ARG A 26 -9.800 -9.594 0.554 1.00 0.00 C ATOM 340 CD ARG A 26 -10.318 -10.545 -0.528 1.00 0.00 C ATOM 341 NE ARG A 26 -11.795 -10.628 -0.463 1.00 0.00 N ATOM 342 CZ ARG A 26 -12.465 -11.468 0.337 1.00 0.00 C ATOM 343 NH1 ARG A 26 -11.795 -12.302 1.145 1.00 0.00 N ATOM 344 NH2 ARG A 26 -13.805 -11.476 0.328 1.00 0.00 N ATOM 0 H ARG A 26 -9.642 -8.301 3.254 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.148 -10.747 2.663 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -8.270 -9.969 2.028 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -9.087 -11.414 1.467 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.607 -8.941 0.886 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -9.022 -8.954 0.138 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -10.008 -10.193 -1.512 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -9.883 -11.535 -0.392 1.00 0.00 H new ATOM 0 HE ARG A 26 -12.336 -10.007 -1.065 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -10.775 -12.297 1.151 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -12.305 -12.942 1.754 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -14.315 -10.843 -0.288 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.315 -12.116 0.937 1.00 0.00 H new ATOM 355 N ALA A 27 -9.424 -12.369 3.908 1.00 0.00 N ATOM 356 CA ALA A 27 -8.859 -13.226 4.936 1.00 0.00 C ATOM 357 C ALA A 27 -7.339 -13.281 4.770 1.00 0.00 C ATOM 358 O ALA A 27 -6.597 -13.082 5.731 1.00 0.00 O ATOM 359 CB ALA A 27 -9.503 -14.611 4.858 1.00 0.00 C ATOM 0 H ALA A 27 -9.672 -12.848 3.042 1.00 0.00 H new ATOM 0 HA ALA A 27 -9.069 -12.824 5.927 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.079 -15.254 5.629 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.578 -14.521 5.011 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.312 -15.047 3.877 1.00 0.00 H new ATOM 365 N SER A 28 -6.919 -13.550 3.542 1.00 0.00 N ATOM 366 CA SER A 28 -5.500 -13.633 3.237 1.00 0.00 C ATOM 367 C SER A 28 -5.007 -12.297 2.681 1.00 0.00 C ATOM 368 O SER A 28 -5.797 -11.381 2.460 1.00 0.00 O ATOM 369 CB SER A 28 -5.216 -14.760 2.242 1.00 0.00 C ATOM 370 OG SER A 28 -5.926 -15.952 2.568 1.00 0.00 O ATOM 0 H SER A 28 -7.536 -13.713 2.747 1.00 0.00 H new ATOM 0 HA SER A 28 -4.963 -13.856 4.159 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.493 -14.436 1.239 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.146 -14.968 2.226 1.00 0.00 H new ATOM 0 HG SER A 28 -5.719 -16.647 1.908 1.00 0.00 H new ATOM 375 N VAL A 29 -3.700 -12.227 2.471 1.00 0.00 N ATOM 376 CA VAL A 29 -3.090 -11.017 1.944 1.00 0.00 C ATOM 377 C VAL A 29 -2.957 -11.138 0.425 1.00 0.00 C ATOM 378 O VAL A 29 -2.325 -12.068 -0.074 1.00 0.00 O ATOM 379 CB VAL A 29 -1.755 -10.757 2.643 1.00 0.00 C ATOM 380 CG1 VAL A 29 -0.896 -9.779 1.839 1.00 0.00 C ATOM 381 CG2 VAL A 29 -1.971 -10.251 4.071 1.00 0.00 C ATOM 0 H VAL A 29 -3.047 -12.988 2.656 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.721 -10.152 2.147 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.219 -11.704 2.702 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.048 -9.612 2.358 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.698 -10.196 0.852 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.425 -8.832 1.733 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.005 -10.074 4.544 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.538 -9.321 4.045 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.524 -10.997 4.642 1.00 0.00 H new ATOM 391 N VAL A 30 -3.560 -10.184 -0.268 1.00 0.00 N ATOM 392 CA VAL A 30 -3.517 -10.172 -1.720 1.00 0.00 C ATOM 393 C VAL A 30 -2.550 -9.083 -2.188 1.00 0.00 C ATOM 394 O VAL A 30 -2.287 -8.127 -1.460 1.00 0.00 O ATOM 395 CB VAL A 30 -4.928 -10.001 -2.285 1.00 0.00 C ATOM 396 CG1 VAL A 30 -5.644 -11.350 -2.390 1.00 0.00 C ATOM 397 CG2 VAL A 30 -5.740 -9.015 -1.444 1.00 0.00 C ATOM 0 H VAL A 30 -4.081 -9.413 0.149 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.144 -11.124 -2.098 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.838 -9.589 -3.290 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.645 -11.200 -2.794 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.081 -12.010 -3.050 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.716 -11.802 -1.401 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.739 -8.912 -1.868 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.816 -9.385 -0.422 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.245 -8.044 -1.442 1.00 0.00 H new ATOM 407 N PRO A 31 -2.034 -9.267 -3.433 1.00 0.00 N ATOM 408 CA PRO A 31 -1.102 -8.311 -4.006 1.00 0.00 C ATOM 409 C PRO A 31 -1.827 -7.043 -4.458 1.00 0.00 C ATOM 410 O PRO A 31 -3.055 -7.017 -4.532 1.00 0.00 O ATOM 411 CB PRO A 31 -0.433 -9.053 -5.152 1.00 0.00 C ATOM 412 CG PRO A 31 -1.339 -10.231 -5.472 1.00 0.00 C ATOM 413 CD PRO A 31 -2.323 -10.387 -4.323 1.00 0.00 C ATOM 0 HA PRO A 31 -0.360 -7.963 -3.287 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.314 -8.405 -6.020 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.563 -9.392 -4.869 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.870 -10.061 -6.409 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -0.752 -11.141 -5.598 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.353 -10.356 -4.677 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.190 -11.342 -3.814 1.00 0.00 H new ATOM 418 N LEU A 32 -1.036 -6.020 -4.748 1.00 0.00 N ATOM 419 CA LEU A 32 -1.588 -4.750 -5.191 1.00 0.00 C ATOM 420 C LEU A 32 -1.249 -4.539 -6.668 1.00 0.00 C ATOM 421 O LEU A 32 -0.125 -4.167 -7.004 1.00 0.00 O ATOM 422 CB LEU A 32 -1.113 -3.614 -4.283 1.00 0.00 C ATOM 423 CG LEU A 32 -1.373 -2.195 -4.792 1.00 0.00 C ATOM 424 CD1 LEU A 32 -2.755 -2.088 -5.440 1.00 0.00 C ATOM 425 CD2 LEU A 32 -1.183 -1.168 -3.675 1.00 0.00 C ATOM 0 H LEU A 32 -0.018 -6.044 -4.685 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.675 -4.758 -5.111 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.597 -3.725 -3.313 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.041 -3.730 -4.120 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.638 -1.970 -5.564 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.913 -1.069 -5.793 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.816 -2.777 -6.282 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.521 -2.341 -4.707 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.374 -0.168 -4.064 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.879 -1.381 -2.863 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.161 -1.223 -3.301 1.00 0.00 H new ATOM 436 N PRO A 33 -2.267 -4.791 -7.534 1.00 0.00 N ATOM 437 CA PRO A 33 -2.088 -4.632 -8.966 1.00 0.00 C ATOM 438 C PRO A 33 -2.076 -3.153 -9.358 1.00 0.00 C ATOM 439 O PRO A 33 -3.062 -2.639 -9.883 1.00 0.00 O ATOM 440 CB PRO A 33 -3.237 -5.404 -9.595 1.00 0.00 C ATOM 441 CG PRO A 33 -4.275 -5.574 -8.496 1.00 0.00 C ATOM 442 CD PRO A 33 -3.611 -5.233 -7.172 1.00 0.00 C ATOM 0 HA PRO A 33 -1.129 -5.016 -9.314 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -3.653 -4.862 -10.445 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -2.900 -6.371 -9.967 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -5.130 -4.921 -8.674 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.652 -6.597 -8.482 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -4.157 -4.450 -6.645 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.578 -6.099 -6.511 1.00 0.00 H new ATOM 447 N TYR A 34 -0.950 -2.511 -9.085 1.00 0.00 N ATOM 448 CA TYR A 34 -0.797 -1.102 -9.402 1.00 0.00 C ATOM 449 C TYR A 34 -1.195 -0.819 -10.853 1.00 0.00 C ATOM 450 O TYR A 34 -2.009 0.065 -11.115 1.00 0.00 O ATOM 451 CB TYR A 34 0.691 -0.788 -9.225 1.00 0.00 C ATOM 452 CG TYR A 34 1.241 -1.148 -7.843 1.00 0.00 C ATOM 453 CD1 TYR A 34 1.049 -0.289 -6.779 1.00 0.00 C ATOM 454 CD2 TYR A 34 1.930 -2.329 -7.660 1.00 0.00 C ATOM 455 CE1 TYR A 34 1.567 -0.627 -5.479 1.00 0.00 C ATOM 456 CE2 TYR A 34 2.448 -2.667 -6.360 1.00 0.00 C ATOM 457 CZ TYR A 34 2.241 -1.799 -5.334 1.00 0.00 C ATOM 458 OH TYR A 34 2.730 -2.118 -4.106 1.00 0.00 O ATOM 0 H TYR A 34 -0.135 -2.941 -8.648 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.433 -0.494 -8.759 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.259 -1.328 -9.983 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.852 0.275 -9.403 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.510 0.636 -6.922 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.081 -3.000 -8.492 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.424 0.035 -4.638 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.989 -3.589 -6.203 1.00 0.00 H new ATOM 0 HH TYR A 34 2.480 -1.422 -3.463 1.00 0.00 H new ATOM 467 N GLU A 35 -0.603 -1.586 -11.756 1.00 0.00 N ATOM 468 CA GLU A 35 -0.886 -1.429 -13.172 1.00 0.00 C ATOM 469 C GLU A 35 -2.385 -1.221 -13.395 1.00 0.00 C ATOM 470 O GLU A 35 -2.788 -0.546 -14.339 1.00 0.00 O ATOM 471 CB GLU A 35 -0.374 -2.630 -13.970 1.00 0.00 C ATOM 472 CG GLU A 35 -1.068 -3.920 -13.524 1.00 0.00 C ATOM 473 CD GLU A 35 -0.471 -5.137 -14.233 1.00 0.00 C ATOM 474 OE1 GLU A 35 -0.022 -4.958 -15.385 1.00 0.00 O ATOM 475 OE2 GLU A 35 -0.477 -6.218 -13.606 1.00 0.00 O ATOM 0 H GLU A 35 0.072 -2.318 -11.534 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.360 -0.545 -13.531 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.550 -2.467 -15.033 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.703 -2.727 -13.837 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.967 -4.037 -12.445 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.135 -3.856 -13.739 1.00 0.00 H new ATOM 480 N ARG A 36 -3.170 -1.814 -12.506 1.00 0.00 N ATOM 481 CA ARG A 36 -4.616 -1.702 -12.593 1.00 0.00 C ATOM 482 C ARG A 36 -5.110 -0.532 -11.740 1.00 0.00 C ATOM 483 O ARG A 36 -5.596 0.466 -12.270 1.00 0.00 O ATOM 484 CB ARG A 36 -5.297 -2.990 -12.125 1.00 0.00 C ATOM 485 CG ARG A 36 -5.232 -4.070 -13.207 1.00 0.00 C ATOM 486 CD ARG A 36 -6.489 -4.941 -13.188 1.00 0.00 C ATOM 487 NE ARG A 36 -6.120 -6.356 -12.963 1.00 0.00 N ATOM 488 CZ ARG A 36 -5.521 -7.131 -13.878 1.00 0.00 C ATOM 489 NH1 ARG A 36 -5.218 -6.632 -15.083 1.00 0.00 N ATOM 490 NH2 ARG A 36 -5.222 -8.405 -13.586 1.00 0.00 N ATOM 0 H ARG A 36 -2.832 -2.373 -11.723 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.873 -1.528 -13.638 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.815 -3.351 -11.217 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.337 -2.785 -11.873 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.124 -3.603 -14.186 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.351 -4.693 -13.052 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.164 -4.603 -12.402 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.025 -4.842 -14.132 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.335 -6.768 -12.055 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.443 -5.662 -15.305 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.762 -7.222 -15.779 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.450 -8.785 -12.667 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.766 -8.994 -14.283 1.00 0.00 H new ATOM 501 N LEU A 37 -4.970 -0.693 -10.433 1.00 0.00 N ATOM 502 CA LEU A 37 -5.395 0.337 -9.501 1.00 0.00 C ATOM 503 C LEU A 37 -4.960 1.705 -10.026 1.00 0.00 C ATOM 504 O LEU A 37 -5.675 2.694 -9.862 1.00 0.00 O ATOM 505 CB LEU A 37 -4.885 0.029 -8.092 1.00 0.00 C ATOM 506 CG LEU A 37 -5.230 -1.356 -7.541 1.00 0.00 C ATOM 507 CD1 LEU A 37 -5.394 -1.317 -6.020 1.00 0.00 C ATOM 508 CD2 LEU A 37 -6.466 -1.930 -8.236 1.00 0.00 C ATOM 0 H LEU A 37 -4.568 -1.523 -9.997 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.482 0.355 -9.425 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.801 0.140 -8.087 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.285 0.779 -7.410 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.398 -2.026 -7.757 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.639 -2.314 -5.655 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.464 -0.981 -5.562 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.197 -0.628 -5.758 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.690 -2.915 -7.826 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.316 -1.267 -8.073 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.274 -2.017 -9.305 1.00 0.00 H new ATOM 519 N LEU A 38 -3.791 1.720 -10.649 1.00 0.00 N ATOM 520 CA LEU A 38 -3.253 2.952 -11.201 1.00 0.00 C ATOM 521 C LEU A 38 -4.173 3.452 -12.316 1.00 0.00 C ATOM 522 O LEU A 38 -4.517 4.632 -12.359 1.00 0.00 O ATOM 523 CB LEU A 38 -1.802 2.751 -11.645 1.00 0.00 C ATOM 524 CG LEU A 38 -0.791 2.476 -10.529 1.00 0.00 C ATOM 525 CD1 LEU A 38 0.527 1.950 -11.101 1.00 0.00 C ATOM 526 CD2 LEU A 38 -0.583 3.718 -9.660 1.00 0.00 C ATOM 0 H LEU A 38 -3.201 0.899 -10.784 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.225 3.730 -10.438 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.770 1.920 -12.350 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.482 3.641 -12.187 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.197 1.696 -9.885 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.228 1.763 -10.287 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.344 1.022 -11.643 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.950 2.690 -11.781 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.140 3.496 -8.875 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.209 4.535 -10.277 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.531 4.009 -9.208 1.00 0.00 H new ATOM 537 N ARG A 39 -4.545 2.529 -13.191 1.00 0.00 N ATOM 538 CA ARG A 39 -5.419 2.862 -14.303 1.00 0.00 C ATOM 539 C ARG A 39 -6.684 3.556 -13.796 1.00 0.00 C ATOM 540 O ARG A 39 -7.102 4.573 -14.346 1.00 0.00 O ATOM 541 CB ARG A 39 -5.812 1.608 -15.088 1.00 0.00 C ATOM 542 CG ARG A 39 -6.651 1.971 -16.315 1.00 0.00 C ATOM 543 CD ARG A 39 -6.789 0.774 -17.257 1.00 0.00 C ATOM 544 NE ARG A 39 -7.553 1.165 -18.464 1.00 0.00 N ATOM 545 CZ ARG A 39 -7.035 1.851 -19.491 1.00 0.00 C ATOM 546 NH1 ARG A 39 -5.748 2.226 -19.465 1.00 0.00 N ATOM 547 NH2 ARG A 39 -7.802 2.162 -20.545 1.00 0.00 N ATOM 0 H ARG A 39 -4.257 1.551 -13.152 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.873 3.535 -14.964 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.915 1.074 -15.401 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.376 0.933 -14.444 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.639 2.305 -15.999 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.187 2.803 -16.844 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.802 0.410 -17.543 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.295 -0.045 -16.746 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.535 0.895 -18.516 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.164 1.989 -18.663 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.353 2.748 -20.247 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.781 1.876 -20.565 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.407 2.685 -21.327 1.00 0.00 H new ATOM 558 N GLU A 40 -7.259 2.977 -12.751 1.00 0.00 N ATOM 559 CA GLU A 40 -8.468 3.528 -12.163 1.00 0.00 C ATOM 560 C GLU A 40 -8.218 3.921 -10.705 1.00 0.00 C ATOM 561 O GLU A 40 -8.126 3.059 -9.832 1.00 0.00 O ATOM 562 CB GLU A 40 -9.630 2.538 -12.271 1.00 0.00 C ATOM 563 CG GLU A 40 -9.123 1.095 -12.270 1.00 0.00 C ATOM 564 CD GLU A 40 -10.269 0.110 -12.515 1.00 0.00 C ATOM 565 OE1 GLU A 40 -11.317 0.285 -11.855 1.00 0.00 O ATOM 566 OE2 GLU A 40 -10.072 -0.793 -13.355 1.00 0.00 O ATOM 0 H GLU A 40 -6.910 2.133 -12.297 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.743 4.424 -12.719 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.317 2.686 -11.438 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.192 2.729 -13.185 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.363 0.973 -13.041 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.647 0.874 -11.315 1.00 0.00 H new ATOM 571 N PRO A 41 -8.110 5.259 -10.481 1.00 0.00 N ATOM 572 CA PRO A 41 -7.872 5.777 -9.145 1.00 0.00 C ATOM 573 C PRO A 41 -9.141 5.701 -8.293 1.00 0.00 C ATOM 574 O PRO A 41 -9.067 5.621 -7.068 1.00 0.00 O ATOM 575 CB PRO A 41 -7.383 7.200 -9.356 1.00 0.00 C ATOM 576 CG PRO A 41 -7.806 7.581 -10.766 1.00 0.00 C ATOM 577 CD PRO A 41 -8.213 6.308 -11.491 1.00 0.00 C ATOM 0 HA PRO A 41 -7.134 5.194 -8.593 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -7.820 7.876 -8.621 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.301 7.262 -9.243 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -8.637 8.286 -10.738 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.987 8.074 -11.290 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.227 6.382 -11.883 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.557 6.108 -12.339 1.00 0.00 H new ATOM 582 N GLY A 42 -10.276 5.729 -8.976 1.00 0.00 N ATOM 583 CA GLY A 42 -11.559 5.664 -8.297 1.00 0.00 C ATOM 584 C GLY A 42 -11.781 4.285 -7.674 1.00 0.00 C ATOM 585 O GLY A 42 -12.458 4.162 -6.654 1.00 0.00 O ATOM 0 H GLY A 42 -10.334 5.796 -9.992 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.603 6.429 -7.521 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.360 5.881 -9.004 1.00 0.00 H new ATOM 589 N LEU A 43 -11.196 3.282 -8.312 1.00 0.00 N ATOM 590 CA LEU A 43 -11.322 1.915 -7.832 1.00 0.00 C ATOM 591 C LEU A 43 -10.685 1.806 -6.445 1.00 0.00 C ATOM 592 O LEU A 43 -11.238 1.163 -5.554 1.00 0.00 O ATOM 593 CB LEU A 43 -10.742 0.934 -8.853 1.00 0.00 C ATOM 594 CG LEU A 43 -11.190 -0.522 -8.712 1.00 0.00 C ATOM 595 CD1 LEU A 43 -12.645 -0.693 -9.151 1.00 0.00 C ATOM 596 CD2 LEU A 43 -10.249 -1.460 -9.471 1.00 0.00 C ATOM 0 H LEU A 43 -10.634 3.388 -9.157 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.372 1.644 -7.724 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.008 1.280 -9.852 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.655 0.967 -8.783 1.00 0.00 H new ATOM 0 HG LEU A 43 -11.138 -0.795 -7.658 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.938 -1.737 -9.041 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.288 -0.068 -8.531 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -12.747 -0.396 -10.195 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -10.589 -2.489 -9.355 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.247 -1.196 -10.528 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.240 -1.364 -9.071 1.00 0.00 H new ATOM 607 N LEU A 44 -9.533 2.445 -6.305 1.00 0.00 N ATOM 608 CA LEU A 44 -8.815 2.428 -5.042 1.00 0.00 C ATOM 609 C LEU A 44 -7.864 3.625 -4.984 1.00 0.00 C ATOM 610 O LEU A 44 -6.883 3.679 -5.725 1.00 0.00 O ATOM 611 CB LEU A 44 -8.121 1.080 -4.838 1.00 0.00 C ATOM 612 CG LEU A 44 -7.072 1.027 -3.726 1.00 0.00 C ATOM 613 CD1 LEU A 44 -7.570 1.743 -2.469 1.00 0.00 C ATOM 614 CD2 LEU A 44 -6.652 -0.415 -3.437 1.00 0.00 C ATOM 0 H LEU A 44 -9.079 2.978 -7.046 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.509 2.532 -4.208 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.883 0.330 -4.627 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.643 0.794 -5.775 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.184 1.558 -4.068 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.806 1.691 -1.694 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.779 2.787 -2.703 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.481 1.262 -2.113 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.906 -0.424 -2.643 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.522 -0.992 -3.124 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.228 -0.858 -4.338 1.00 0.00 H new ATOM 625 N ALA A 45 -8.188 4.555 -4.097 1.00 0.00 N ATOM 626 CA ALA A 45 -7.374 5.747 -3.932 1.00 0.00 C ATOM 627 C ALA A 45 -6.500 5.596 -2.685 1.00 0.00 C ATOM 628 O ALA A 45 -6.990 5.217 -1.622 1.00 0.00 O ATOM 629 CB ALA A 45 -8.279 6.978 -3.864 1.00 0.00 C ATOM 0 H ALA A 45 -9.003 4.507 -3.485 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.709 5.878 -4.786 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.668 7.872 -3.740 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.856 7.057 -4.786 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.959 6.883 -3.018 1.00 0.00 H new ATOM 635 N VAL A 46 -5.222 5.899 -2.856 1.00 0.00 N ATOM 636 CA VAL A 46 -4.276 5.801 -1.758 1.00 0.00 C ATOM 637 C VAL A 46 -4.110 7.177 -1.109 1.00 0.00 C ATOM 638 O VAL A 46 -3.589 8.101 -1.731 1.00 0.00 O ATOM 639 CB VAL A 46 -2.955 5.211 -2.256 1.00 0.00 C ATOM 640 CG1 VAL A 46 -1.973 5.015 -1.100 1.00 0.00 C ATOM 641 CG2 VAL A 46 -3.188 3.900 -3.007 1.00 0.00 C ATOM 0 H VAL A 46 -4.819 6.213 -3.739 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.650 5.123 -0.991 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.513 5.921 -2.954 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.042 4.595 -1.481 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.771 5.976 -0.628 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.405 4.334 -0.367 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.233 3.502 -3.350 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.663 3.179 -2.342 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.834 4.082 -3.866 1.00 0.00 H new ATOM 651 N GLN A 47 -4.564 7.270 0.132 1.00 0.00 N ATOM 652 CA GLN A 47 -4.472 8.517 0.872 1.00 0.00 C ATOM 653 C GLN A 47 -3.503 8.368 2.046 1.00 0.00 C ATOM 654 O GLN A 47 -3.158 7.253 2.433 1.00 0.00 O ATOM 655 CB GLN A 47 -5.851 8.972 1.353 1.00 0.00 C ATOM 656 CG GLN A 47 -6.696 9.490 0.187 1.00 0.00 C ATOM 657 CD GLN A 47 -6.116 10.790 -0.374 1.00 0.00 C ATOM 658 OE1 GLN A 47 -5.388 10.804 -1.353 1.00 0.00 O ATOM 659 NE2 GLN A 47 -6.477 11.879 0.299 1.00 0.00 N ATOM 0 H GLN A 47 -4.997 6.501 0.644 1.00 0.00 H new ATOM 0 HA GLN A 47 -4.085 9.286 0.203 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -6.364 8.141 1.837 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.738 9.756 2.102 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -6.738 8.737 -0.600 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.720 9.659 0.521 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -7.089 11.797 1.111 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -6.141 12.796 0.003 1.00 0.00 H new ATOM 666 N GLY A 48 -3.091 9.509 2.580 1.00 0.00 N ATOM 667 CA GLY A 48 -2.168 9.520 3.702 1.00 0.00 C ATOM 668 C GLY A 48 -0.781 9.034 3.277 1.00 0.00 C ATOM 669 O GLY A 48 -0.066 8.418 4.065 1.00 0.00 O ATOM 0 H GLY A 48 -3.380 10.432 2.256 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.095 10.529 4.107 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.552 8.883 4.499 1.00 0.00 H new ATOM 673 N LEU A 49 -0.443 9.330 2.030 1.00 0.00 N ATOM 674 CA LEU A 49 0.846 8.932 1.490 1.00 0.00 C ATOM 675 C LEU A 49 1.933 9.854 2.045 1.00 0.00 C ATOM 676 O LEU A 49 1.633 10.906 2.606 1.00 0.00 O ATOM 677 CB LEU A 49 0.796 8.890 -0.039 1.00 0.00 C ATOM 678 CG LEU A 49 0.390 7.554 -0.661 1.00 0.00 C ATOM 679 CD1 LEU A 49 -0.259 7.760 -2.031 1.00 0.00 C ATOM 680 CD2 LEU A 49 1.580 6.595 -0.729 1.00 0.00 C ATOM 0 H LEU A 49 -1.039 9.840 1.379 1.00 0.00 H new ATOM 0 HA LEU A 49 1.095 7.919 1.806 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.098 9.654 -0.381 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.779 9.162 -0.422 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.358 7.093 -0.017 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.538 6.793 -2.451 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.150 8.379 -1.922 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.447 8.255 -2.698 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.263 5.653 -1.176 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.369 7.037 -1.337 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.957 6.411 0.277 1.00 0.00 H new ATOM 691 N PRO A 50 3.207 9.412 1.865 1.00 0.00 N ATOM 692 CA PRO A 50 4.342 10.186 2.341 1.00 0.00 C ATOM 693 C PRO A 50 4.596 11.397 1.441 1.00 0.00 C ATOM 694 O PRO A 50 5.151 11.259 0.352 1.00 0.00 O ATOM 695 CB PRO A 50 5.504 9.207 2.363 1.00 0.00 C ATOM 696 CG PRO A 50 5.093 8.053 1.464 1.00 0.00 C ATOM 697 CD PRO A 50 3.600 8.171 1.205 1.00 0.00 C ATOM 0 HA PRO A 50 4.177 10.609 3.332 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.418 9.678 2.001 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.704 8.860 3.377 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.647 8.085 0.526 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.324 7.099 1.938 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.385 8.205 0.137 1.00 0.00 H new ATOM 0 HD3 PRO A 50 3.059 7.317 1.612 1.00 0.00 H new ATOM 702 N GLU A 51 4.179 12.556 1.930 1.00 0.00 N ATOM 703 CA GLU A 51 4.355 13.790 1.184 1.00 0.00 C ATOM 704 C GLU A 51 5.644 13.733 0.361 1.00 0.00 C ATOM 705 O GLU A 51 6.625 13.122 0.780 1.00 0.00 O ATOM 706 CB GLU A 51 4.354 15.001 2.119 1.00 0.00 C ATOM 707 CG GLU A 51 5.692 15.132 2.848 1.00 0.00 C ATOM 708 CD GLU A 51 6.457 16.370 2.374 1.00 0.00 C ATOM 709 OE1 GLU A 51 6.959 16.323 1.231 1.00 0.00 O ATOM 710 OE2 GLU A 51 6.520 17.335 3.166 1.00 0.00 O ATOM 0 H GLU A 51 3.720 12.666 2.834 1.00 0.00 H new ATOM 0 HA GLU A 51 3.514 13.901 0.499 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.158 15.907 1.546 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.548 14.903 2.846 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.520 15.196 3.922 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.294 14.240 2.674 1.00 0.00 H new ATOM 715 N GLY A 52 5.599 14.380 -0.795 1.00 0.00 N ATOM 716 CA GLY A 52 6.751 14.411 -1.679 1.00 0.00 C ATOM 717 C GLY A 52 6.962 13.054 -2.353 1.00 0.00 C ATOM 718 O GLY A 52 8.094 12.591 -2.484 1.00 0.00 O ATOM 0 H GLY A 52 4.783 14.886 -1.139 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.610 15.180 -2.438 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.642 14.682 -1.112 1.00 0.00 H new ATOM 722 N LEU A 53 5.854 12.454 -2.763 1.00 0.00 N ATOM 723 CA LEU A 53 5.903 11.160 -3.420 1.00 0.00 C ATOM 724 C LEU A 53 4.675 11.002 -4.320 1.00 0.00 C ATOM 725 O LEU A 53 3.935 11.959 -4.540 1.00 0.00 O ATOM 726 CB LEU A 53 6.057 10.040 -2.389 1.00 0.00 C ATOM 727 CG LEU A 53 7.492 9.658 -2.022 1.00 0.00 C ATOM 728 CD1 LEU A 53 7.519 8.730 -0.806 1.00 0.00 C ATOM 729 CD2 LEU A 53 8.222 9.053 -3.222 1.00 0.00 C ATOM 0 H LEU A 53 4.917 12.841 -2.653 1.00 0.00 H new ATOM 0 HA LEU A 53 6.781 11.093 -4.063 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.537 10.338 -1.478 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.552 9.152 -2.769 1.00 0.00 H new ATOM 0 HG LEU A 53 8.027 10.566 -1.745 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.551 8.474 -0.567 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.063 9.234 0.046 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.962 7.820 -1.030 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.240 8.790 -2.934 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.696 8.158 -3.554 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.251 9.779 -4.034 1.00 0.00 H new ATOM 740 N ALA A 54 4.495 9.786 -4.815 1.00 0.00 N ATOM 741 CA ALA A 54 3.371 9.491 -5.685 1.00 0.00 C ATOM 742 C ALA A 54 3.052 7.996 -5.611 1.00 0.00 C ATOM 743 O ALA A 54 3.957 7.163 -5.630 1.00 0.00 O ATOM 744 CB ALA A 54 3.692 9.948 -7.110 1.00 0.00 C ATOM 0 H ALA A 54 5.110 8.994 -4.629 1.00 0.00 H new ATOM 0 HA ALA A 54 2.484 10.035 -5.361 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.847 9.726 -7.762 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.881 11.021 -7.114 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.576 9.422 -7.470 1.00 0.00 H new ATOM 750 N PHE A 55 1.762 7.702 -5.528 1.00 0.00 N ATOM 751 CA PHE A 55 1.313 6.323 -5.450 1.00 0.00 C ATOM 752 C PHE A 55 1.796 5.520 -6.661 1.00 0.00 C ATOM 753 O PHE A 55 1.320 5.726 -7.777 1.00 0.00 O ATOM 754 CB PHE A 55 -0.216 6.350 -5.449 1.00 0.00 C ATOM 755 CG PHE A 55 -0.864 4.985 -5.690 1.00 0.00 C ATOM 756 CD1 PHE A 55 -0.452 3.901 -4.976 1.00 0.00 C ATOM 757 CD2 PHE A 55 -1.850 4.852 -6.617 1.00 0.00 C ATOM 758 CE1 PHE A 55 -1.052 2.634 -5.199 1.00 0.00 C ATOM 759 CE2 PHE A 55 -2.450 3.585 -6.840 1.00 0.00 C ATOM 760 CZ PHE A 55 -2.039 2.503 -6.126 1.00 0.00 C ATOM 0 H PHE A 55 1.014 8.396 -5.513 1.00 0.00 H new ATOM 0 HA PHE A 55 1.712 5.852 -4.552 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -0.561 6.740 -4.492 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.557 7.043 -6.218 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.331 4.005 -4.240 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.177 5.711 -7.184 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.725 1.774 -4.633 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.233 3.480 -7.577 1.00 0.00 H new ATOM 0 HZ PHE A 55 -2.496 1.539 -6.295 1.00 0.00 H new ATOM 769 N ARG A 56 2.734 4.622 -6.399 1.00 0.00 N ATOM 770 CA ARG A 56 3.286 3.788 -7.454 1.00 0.00 C ATOM 771 C ARG A 56 4.032 2.596 -6.851 1.00 0.00 C ATOM 772 O ARG A 56 4.338 2.588 -5.660 1.00 0.00 O ATOM 773 CB ARG A 56 4.245 4.584 -8.342 1.00 0.00 C ATOM 774 CG ARG A 56 5.002 5.635 -7.526 1.00 0.00 C ATOM 775 CD ARG A 56 6.470 5.705 -7.952 1.00 0.00 C ATOM 776 NE ARG A 56 6.571 6.204 -9.342 1.00 0.00 N ATOM 777 CZ ARG A 56 6.484 7.497 -9.684 1.00 0.00 C ATOM 778 NH1 ARG A 56 6.294 8.428 -8.739 1.00 0.00 N ATOM 779 NH2 ARG A 56 6.587 7.858 -10.970 1.00 0.00 N ATOM 0 H ARG A 56 3.126 4.453 -5.472 1.00 0.00 H new ATOM 0 HA ARG A 56 2.456 3.432 -8.064 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.955 3.906 -8.816 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.687 5.071 -9.141 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.534 6.610 -7.659 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.938 5.393 -6.465 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.021 6.363 -7.280 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.926 4.718 -7.877 1.00 0.00 H new ATOM 0 HE ARG A 56 6.716 5.521 -10.086 1.00 0.00 H new ATOM 0 HH11 ARG A 56 6.216 8.152 -7.760 1.00 0.00 H new ATOM 0 HH12 ARG A 56 6.228 9.412 -8.999 1.00 0.00 H new ATOM 0 HH21 ARG A 56 6.732 7.149 -11.689 1.00 0.00 H new ATOM 0 HH22 ARG A 56 6.521 8.842 -11.230 1.00 0.00 H new ATOM 790 N ARG A 57 4.303 1.617 -7.702 1.00 0.00 N ATOM 791 CA ARG A 57 5.007 0.422 -7.268 1.00 0.00 C ATOM 792 C ARG A 57 6.107 0.788 -6.269 1.00 0.00 C ATOM 793 O ARG A 57 6.703 1.860 -6.361 1.00 0.00 O ATOM 794 CB ARG A 57 5.631 -0.312 -8.457 1.00 0.00 C ATOM 795 CG ARG A 57 4.901 -1.628 -8.733 1.00 0.00 C ATOM 796 CD ARG A 57 5.350 -2.234 -10.064 1.00 0.00 C ATOM 797 NE ARG A 57 4.176 -2.460 -10.938 1.00 0.00 N ATOM 798 CZ ARG A 57 4.228 -3.102 -12.114 1.00 0.00 C ATOM 799 NH1 ARG A 57 5.395 -3.584 -12.563 1.00 0.00 N ATOM 800 NH2 ARG A 57 3.113 -3.261 -12.839 1.00 0.00 N ATOM 0 H ARG A 57 4.048 1.627 -8.690 1.00 0.00 H new ATOM 0 HA ARG A 57 4.281 -0.236 -6.790 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.591 0.323 -9.342 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.683 -0.511 -8.254 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.095 -2.333 -7.924 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.825 -1.454 -8.753 1.00 0.00 H new ATOM 0 HD2 ARG A 57 6.058 -1.567 -10.557 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.869 -3.176 -9.888 1.00 0.00 H new ATOM 0 HE ARG A 57 3.272 -2.105 -10.626 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.244 -3.462 -12.010 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.435 -4.072 -13.458 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.225 -2.894 -12.496 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.152 -3.749 -13.734 1.00 0.00 H new ATOM 811 N PRO A 58 6.350 -0.149 -5.313 1.00 0.00 N ATOM 812 CA PRO A 58 7.367 0.063 -4.298 1.00 0.00 C ATOM 813 C PRO A 58 8.770 -0.118 -4.882 1.00 0.00 C ATOM 814 O PRO A 58 9.751 0.349 -4.306 1.00 0.00 O ATOM 815 CB PRO A 58 7.045 -0.939 -3.203 1.00 0.00 C ATOM 816 CG PRO A 58 6.149 -1.986 -3.845 1.00 0.00 C ATOM 817 CD PRO A 58 5.664 -1.431 -5.174 1.00 0.00 C ATOM 0 HA PRO A 58 7.362 1.079 -3.903 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.955 -1.392 -2.809 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.542 -0.455 -2.366 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.697 -2.916 -3.997 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.304 -2.216 -3.196 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.909 -2.103 -5.997 1.00 0.00 H new ATOM 0 HD3 PRO A 58 4.582 -1.303 -5.179 1.00 0.00 H new ATOM 822 N ALA A 59 8.820 -0.799 -6.018 1.00 0.00 N ATOM 823 CA ALA A 59 10.086 -1.048 -6.686 1.00 0.00 C ATOM 824 C ALA A 59 10.437 0.151 -7.569 1.00 0.00 C ATOM 825 O ALA A 59 11.552 0.245 -8.081 1.00 0.00 O ATOM 826 CB ALA A 59 9.996 -2.352 -7.482 1.00 0.00 C ATOM 0 H ALA A 59 8.004 -1.186 -6.492 1.00 0.00 H new ATOM 0 HA ALA A 59 10.888 -1.166 -5.957 1.00 0.00 H new ATOM 0 HB1 ALA A 59 10.946 -2.539 -7.983 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.775 -3.177 -6.805 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.203 -2.270 -8.226 1.00 0.00 H new ATOM 832 N GLU A 60 9.465 1.038 -7.721 1.00 0.00 N ATOM 833 CA GLU A 60 9.657 2.227 -8.534 1.00 0.00 C ATOM 834 C GLU A 60 9.985 3.429 -7.647 1.00 0.00 C ATOM 835 O GLU A 60 10.400 4.475 -8.142 1.00 0.00 O ATOM 836 CB GLU A 60 8.426 2.504 -9.399 1.00 0.00 C ATOM 837 CG GLU A 60 8.250 1.421 -10.465 1.00 0.00 C ATOM 838 CD GLU A 60 8.205 2.033 -11.867 1.00 0.00 C ATOM 839 OE1 GLU A 60 7.779 3.204 -11.962 1.00 0.00 O ATOM 840 OE2 GLU A 60 8.600 1.317 -12.813 1.00 0.00 O ATOM 0 H GLU A 60 8.542 0.957 -7.295 1.00 0.00 H new ATOM 0 HA GLU A 60 10.499 2.054 -9.203 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.537 2.548 -8.770 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.525 3.478 -9.878 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.071 0.707 -10.402 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.331 0.867 -10.277 1.00 0.00 H new ATOM 845 N TYR A 61 9.786 3.239 -6.351 1.00 0.00 N ATOM 846 CA TYR A 61 10.056 4.295 -5.389 1.00 0.00 C ATOM 847 C TYR A 61 11.557 4.418 -5.117 1.00 0.00 C ATOM 848 O TYR A 61 12.338 3.560 -5.524 1.00 0.00 O ATOM 849 CB TYR A 61 9.348 3.881 -4.098 1.00 0.00 C ATOM 850 CG TYR A 61 7.973 4.523 -3.908 1.00 0.00 C ATOM 851 CD1 TYR A 61 7.772 5.841 -4.264 1.00 0.00 C ATOM 852 CD2 TYR A 61 6.932 3.785 -3.380 1.00 0.00 C ATOM 853 CE1 TYR A 61 6.478 6.446 -4.086 1.00 0.00 C ATOM 854 CE2 TYR A 61 5.639 4.390 -3.202 1.00 0.00 C ATOM 855 CZ TYR A 61 5.475 5.691 -3.563 1.00 0.00 C ATOM 856 OH TYR A 61 4.253 6.263 -3.395 1.00 0.00 O ATOM 0 H TYR A 61 9.441 2.370 -5.944 1.00 0.00 H new ATOM 0 HA TYR A 61 9.708 5.256 -5.767 1.00 0.00 H new ATOM 0 HB2 TYR A 61 9.236 2.797 -4.089 1.00 0.00 H new ATOM 0 HB3 TYR A 61 9.980 4.143 -3.249 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.586 6.419 -4.676 1.00 0.00 H new ATOM 0 HD2 TYR A 61 7.089 2.754 -3.101 1.00 0.00 H new ATOM 0 HE1 TYR A 61 6.308 7.476 -4.362 1.00 0.00 H new ATOM 0 HE2 TYR A 61 4.817 3.824 -2.791 1.00 0.00 H new ATOM 0 HH TYR A 61 3.756 6.228 -4.239 1.00 0.00 H new ATOM 865 N ASP A 62 11.914 5.494 -4.431 1.00 0.00 N ATOM 866 CA ASP A 62 13.307 5.741 -4.099 1.00 0.00 C ATOM 867 C ASP A 62 13.668 4.972 -2.827 1.00 0.00 C ATOM 868 O ASP A 62 12.838 4.252 -2.276 1.00 0.00 O ATOM 869 CB ASP A 62 13.557 7.228 -3.840 1.00 0.00 C ATOM 870 CG ASP A 62 12.418 8.157 -4.264 1.00 0.00 C ATOM 871 OD1 ASP A 62 11.854 7.906 -5.350 1.00 0.00 O ATOM 872 OD2 ASP A 62 12.137 9.100 -3.490 1.00 0.00 O ATOM 0 H ASP A 62 11.263 6.204 -4.096 1.00 0.00 H new ATOM 0 HA ASP A 62 13.917 5.415 -4.941 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.745 7.370 -2.776 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.464 7.526 -4.366 1.00 0.00 H new ATOM 876 N PRO A 63 14.943 5.155 -2.387 1.00 0.00 N ATOM 877 CA PRO A 63 15.424 4.487 -1.190 1.00 0.00 C ATOM 878 C PRO A 63 14.858 5.144 0.070 1.00 0.00 C ATOM 879 O PRO A 63 14.215 4.483 0.884 1.00 0.00 O ATOM 880 CB PRO A 63 16.940 4.572 -1.274 1.00 0.00 C ATOM 881 CG PRO A 63 17.240 5.682 -2.268 1.00 0.00 C ATOM 882 CD PRO A 63 15.955 5.999 -3.015 1.00 0.00 C ATOM 0 HA PRO A 63 15.099 3.448 -1.129 1.00 0.00 H new ATOM 0 HB2 PRO A 63 17.374 4.793 -0.299 1.00 0.00 H new ATOM 0 HB3 PRO A 63 17.367 3.625 -1.605 1.00 0.00 H new ATOM 0 HG2 PRO A 63 17.609 6.568 -1.751 1.00 0.00 H new ATOM 0 HG3 PRO A 63 18.019 5.371 -2.964 1.00 0.00 H new ATOM 0 HD2 PRO A 63 15.698 7.055 -2.930 1.00 0.00 H new ATOM 0 HD3 PRO A 63 16.050 5.778 -4.078 1.00 0.00 H new ATOM 887 N LYS A 64 15.117 6.438 0.191 1.00 0.00 N ATOM 888 CA LYS A 64 14.641 7.192 1.339 1.00 0.00 C ATOM 889 C LYS A 64 13.110 7.187 1.347 1.00 0.00 C ATOM 890 O LYS A 64 12.492 7.301 2.404 1.00 0.00 O ATOM 891 CB LYS A 64 15.250 8.595 1.348 1.00 0.00 C ATOM 892 CG LYS A 64 16.685 8.565 1.880 1.00 0.00 C ATOM 893 CD LYS A 64 17.680 8.988 0.796 1.00 0.00 C ATOM 894 CE LYS A 64 19.022 9.392 1.410 1.00 0.00 C ATOM 895 NZ LYS A 64 20.139 8.744 0.687 1.00 0.00 N ATOM 0 H LYS A 64 15.650 6.983 -0.486 1.00 0.00 H new ATOM 0 HA LYS A 64 14.968 6.721 2.266 1.00 0.00 H new ATOM 0 HB2 LYS A 64 15.241 9.006 0.339 1.00 0.00 H new ATOM 0 HB3 LYS A 64 14.642 9.255 1.967 1.00 0.00 H new ATOM 0 HG2 LYS A 64 16.772 9.231 2.739 1.00 0.00 H new ATOM 0 HG3 LYS A 64 16.927 7.561 2.229 1.00 0.00 H new ATOM 0 HD2 LYS A 64 17.830 8.167 0.095 1.00 0.00 H new ATOM 0 HD3 LYS A 64 17.270 9.823 0.227 1.00 0.00 H new ATOM 0 HE2 LYS A 64 19.135 10.475 1.370 1.00 0.00 H new ATOM 0 HE3 LYS A 64 19.048 9.107 2.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 21.042 9.029 1.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 20.038 7.711 0.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 20.123 9.036 -0.311 1.00 0.00 H new ATOM 905 N ALA A 65 12.544 7.053 0.157 1.00 0.00 N ATOM 906 CA ALA A 65 11.098 7.031 0.015 1.00 0.00 C ATOM 907 C ALA A 65 10.525 5.878 0.843 1.00 0.00 C ATOM 908 O ALA A 65 9.763 6.103 1.781 1.00 0.00 O ATOM 909 CB ALA A 65 10.732 6.921 -1.467 1.00 0.00 C ATOM 0 H ALA A 65 13.060 6.959 -0.718 1.00 0.00 H new ATOM 0 HA ALA A 65 10.662 7.956 0.392 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.647 6.904 -1.574 1.00 0.00 H new ATOM 0 HB2 ALA A 65 11.137 7.777 -2.006 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.151 6.003 -1.878 1.00 0.00 H new ATOM 915 N LEU A 66 10.916 4.670 0.466 1.00 0.00 N ATOM 916 CA LEU A 66 10.452 3.482 1.162 1.00 0.00 C ATOM 917 C LEU A 66 10.516 3.723 2.672 1.00 0.00 C ATOM 918 O LEU A 66 9.537 3.497 3.381 1.00 0.00 O ATOM 919 CB LEU A 66 11.236 2.251 0.702 1.00 0.00 C ATOM 920 CG LEU A 66 11.189 1.948 -0.797 1.00 0.00 C ATOM 921 CD1 LEU A 66 12.206 0.867 -1.169 1.00 0.00 C ATOM 922 CD2 LEU A 66 9.772 1.577 -1.237 1.00 0.00 C ATOM 0 H LEU A 66 11.549 4.488 -0.313 1.00 0.00 H new ATOM 0 HA LEU A 66 9.410 3.278 0.915 1.00 0.00 H new ATOM 0 HB2 LEU A 66 12.278 2.378 0.994 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.858 1.382 1.240 1.00 0.00 H new ATOM 0 HG LEU A 66 11.467 2.853 -1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.152 0.670 -2.240 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.209 1.207 -0.912 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.982 -0.048 -0.620 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.766 1.366 -2.306 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.441 0.693 -0.691 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.097 2.407 -1.027 1.00 0.00 H new ATOM 933 N MET A 67 11.677 4.179 3.118 1.00 0.00 N ATOM 934 CA MET A 67 11.880 4.453 4.529 1.00 0.00 C ATOM 935 C MET A 67 10.836 5.441 5.053 1.00 0.00 C ATOM 936 O MET A 67 10.389 5.331 6.194 1.00 0.00 O ATOM 937 CB MET A 67 13.282 5.031 4.741 1.00 0.00 C ATOM 938 CG MET A 67 14.285 3.927 5.083 1.00 0.00 C ATOM 939 SD MET A 67 15.949 4.566 4.994 1.00 0.00 S ATOM 940 CE MET A 67 16.239 4.430 3.237 1.00 0.00 C ATOM 0 H MET A 67 12.487 4.365 2.526 1.00 0.00 H new ATOM 0 HA MET A 67 11.775 3.518 5.079 1.00 0.00 H new ATOM 0 HB2 MET A 67 13.604 5.553 3.840 1.00 0.00 H new ATOM 0 HB3 MET A 67 13.258 5.767 5.545 1.00 0.00 H new ATOM 0 HG2 MET A 67 14.087 3.542 6.083 1.00 0.00 H new ATOM 0 HG3 MET A 67 14.170 3.092 4.392 1.00 0.00 H new ATOM 0 HE1 MET A 67 16.915 3.597 3.043 1.00 0.00 H new ATOM 0 HE2 MET A 67 15.293 4.256 2.724 1.00 0.00 H new ATOM 0 HE3 MET A 67 16.686 5.354 2.870 1.00 0.00 H new ATOM 948 N ALA A 68 10.479 6.385 4.194 1.00 0.00 N ATOM 949 CA ALA A 68 9.496 7.392 4.555 1.00 0.00 C ATOM 950 C ALA A 68 8.096 6.777 4.493 1.00 0.00 C ATOM 951 O ALA A 68 7.201 7.185 5.231 1.00 0.00 O ATOM 952 CB ALA A 68 9.643 8.603 3.632 1.00 0.00 C ATOM 0 H ALA A 68 10.853 6.473 3.249 1.00 0.00 H new ATOM 0 HA ALA A 68 9.658 7.739 5.575 1.00 0.00 H new ATOM 0 HB1 ALA A 68 8.905 9.359 3.903 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.645 9.020 3.736 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.484 8.294 2.599 1.00 0.00 H new ATOM 958 N ILE A 69 7.950 5.805 3.604 1.00 0.00 N ATOM 959 CA ILE A 69 6.675 5.131 3.435 1.00 0.00 C ATOM 960 C ILE A 69 6.404 4.248 4.656 1.00 0.00 C ATOM 961 O ILE A 69 5.297 4.247 5.192 1.00 0.00 O ATOM 962 CB ILE A 69 6.642 4.371 2.108 1.00 0.00 C ATOM 963 CG1 ILE A 69 6.891 5.315 0.929 1.00 0.00 C ATOM 964 CG2 ILE A 69 5.333 3.594 1.953 1.00 0.00 C ATOM 965 CD1 ILE A 69 7.508 4.564 -0.253 1.00 0.00 C ATOM 0 H ILE A 69 8.694 5.469 2.993 1.00 0.00 H new ATOM 0 HA ILE A 69 5.865 5.858 3.380 1.00 0.00 H new ATOM 0 HB ILE A 69 7.451 3.641 2.113 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.952 5.775 0.622 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.555 6.122 1.238 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.336 3.063 1.001 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.237 2.877 2.768 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.493 4.288 1.979 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.675 5.257 -1.077 1.00 0.00 H new ATOM 0 HD12 ILE A 69 8.459 4.126 0.051 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.830 3.773 -0.575 1.00 0.00 H new ATOM 976 N LEU A 70 7.434 3.520 5.060 1.00 0.00 N ATOM 977 CA LEU A 70 7.322 2.636 6.206 1.00 0.00 C ATOM 978 C LEU A 70 7.165 3.472 7.478 1.00 0.00 C ATOM 979 O LEU A 70 6.653 2.987 8.485 1.00 0.00 O ATOM 980 CB LEU A 70 8.503 1.664 6.253 1.00 0.00 C ATOM 981 CG LEU A 70 8.885 1.008 4.924 1.00 0.00 C ATOM 982 CD1 LEU A 70 10.399 0.819 4.821 1.00 0.00 C ATOM 983 CD2 LEU A 70 8.127 -0.306 4.725 1.00 0.00 C ATOM 0 H LEU A 70 8.351 3.525 4.613 1.00 0.00 H new ATOM 0 HA LEU A 70 6.431 2.015 6.119 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.373 2.198 6.635 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.272 0.877 6.971 1.00 0.00 H new ATOM 0 HG LEU A 70 8.590 1.676 4.115 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.643 0.351 3.867 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.892 1.789 4.886 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.742 0.182 5.636 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.416 -0.752 3.774 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.369 -0.992 5.536 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.055 -0.111 4.723 1.00 0.00 H new ATOM 994 N GLU A 71 7.615 4.716 7.389 1.00 0.00 N ATOM 995 CA GLU A 71 7.530 5.625 8.519 1.00 0.00 C ATOM 996 C GLU A 71 6.230 6.431 8.456 1.00 0.00 C ATOM 997 O GLU A 71 5.618 6.708 9.485 1.00 0.00 O ATOM 998 CB GLU A 71 8.747 6.550 8.569 1.00 0.00 C ATOM 999 CG GLU A 71 8.395 7.883 9.233 1.00 0.00 C ATOM 1000 CD GLU A 71 9.615 8.488 9.932 1.00 0.00 C ATOM 1001 OE1 GLU A 71 10.707 8.415 9.328 1.00 0.00 O ATOM 1002 OE2 GLU A 71 9.427 9.008 11.052 1.00 0.00 O ATOM 0 H GLU A 71 8.039 5.115 6.552 1.00 0.00 H new ATOM 0 HA GLU A 71 7.524 5.036 9.436 1.00 0.00 H new ATOM 0 HB2 GLU A 71 9.553 6.067 9.120 1.00 0.00 H new ATOM 0 HB3 GLU A 71 9.114 6.729 7.558 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.019 8.579 8.483 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.594 7.732 9.957 1.00 0.00 H new ATOM 1007 N HIS A 72 5.850 6.784 7.237 1.00 0.00 N ATOM 1008 CA HIS A 72 4.635 7.552 7.026 1.00 0.00 C ATOM 1009 C HIS A 72 3.433 6.607 6.965 1.00 0.00 C ATOM 1010 O HIS A 72 2.287 7.052 6.998 1.00 0.00 O ATOM 1011 CB HIS A 72 4.758 8.433 5.782 1.00 0.00 C ATOM 1012 CG HIS A 72 5.681 9.616 5.955 1.00 0.00 C ATOM 1013 ND1 HIS A 72 6.992 9.677 6.325 1.00 0.00 N flip ATOM 1014 CD2 HIS A 72 5.274 10.922 5.743 1.00 0.00 C flip ATOM 1015 CE1 HIS A 72 7.367 10.951 6.335 1.00 0.00 C flip ATOM 1016 NE2 HIS A 72 6.303 11.724 5.976 1.00 0.00 N flip ATOM 0 H HIS A 72 6.362 6.552 6.386 1.00 0.00 H new ATOM 0 HA HIS A 72 4.479 8.229 7.866 1.00 0.00 H new ATOM 0 HB2 HIS A 72 5.117 7.824 4.952 1.00 0.00 H new ATOM 0 HB3 HIS A 72 3.768 8.795 5.507 1.00 0.00 H new ATOM 0 HD1 HIS A 72 7.584 8.879 6.555 1.00 0.00 H new ATOM 0 HD2 HIS A 72 4.286 11.234 5.439 1.00 0.00 H new ATOM 0 HE1 HIS A 72 8.352 11.315 6.586 1.00 0.00 H new ATOM 1023 N SER A 73 3.737 5.320 6.879 1.00 0.00 N ATOM 1024 CA SER A 73 2.697 4.308 6.814 1.00 0.00 C ATOM 1025 C SER A 73 1.611 4.606 7.850 1.00 0.00 C ATOM 1026 O SER A 73 0.439 4.308 7.630 1.00 0.00 O ATOM 1027 CB SER A 73 3.274 2.909 7.037 1.00 0.00 C ATOM 1028 OG SER A 73 2.965 2.405 8.334 1.00 0.00 O ATOM 0 H SER A 73 4.689 4.955 6.853 1.00 0.00 H new ATOM 0 HA SER A 73 2.256 4.335 5.817 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.881 2.230 6.281 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.356 2.938 6.907 1.00 0.00 H new ATOM 0 HG SER A 73 3.349 1.509 8.437 1.00 0.00 H new ATOM 1033 N HIS A 74 2.042 5.191 8.959 1.00 0.00 N ATOM 1034 CA HIS A 74 1.121 5.532 10.031 1.00 0.00 C ATOM 1035 C HIS A 74 -0.033 6.365 9.470 1.00 0.00 C ATOM 1036 O HIS A 74 -1.102 6.437 10.074 1.00 0.00 O ATOM 1037 CB HIS A 74 1.857 6.231 11.176 1.00 0.00 C ATOM 1038 CG HIS A 74 1.728 7.736 11.160 1.00 0.00 C ATOM 1039 ND1 HIS A 74 0.591 8.395 11.595 1.00 0.00 N ATOM 1040 CD2 HIS A 74 2.605 8.701 10.760 1.00 0.00 C ATOM 1041 CE1 HIS A 74 0.786 9.698 11.456 1.00 0.00 C ATOM 1042 NE2 HIS A 74 2.034 9.885 10.938 1.00 0.00 N ATOM 0 H HIS A 74 3.016 5.437 9.138 1.00 0.00 H new ATOM 0 HA HIS A 74 0.694 4.622 10.453 1.00 0.00 H new ATOM 0 HB2 HIS A 74 1.474 5.854 12.124 1.00 0.00 H new ATOM 0 HB3 HIS A 74 2.913 5.966 11.131 1.00 0.00 H new ATOM 0 HD2 HIS A 74 3.596 8.530 10.365 1.00 0.00 H new ATOM 0 HE1 HIS A 74 0.081 10.476 11.709 1.00 0.00 H new ATOM 0 HE2 HIS A 74 2.458 10.787 10.723 1.00 0.00 H new ATOM 1049 N ARG A 75 0.224 6.975 8.322 1.00 0.00 N ATOM 1050 CA ARG A 75 -0.780 7.802 7.674 1.00 0.00 C ATOM 1051 C ARG A 75 -1.396 7.055 6.488 1.00 0.00 C ATOM 1052 O ARG A 75 -2.601 7.135 6.258 1.00 0.00 O ATOM 1053 CB ARG A 75 -0.176 9.117 7.180 1.00 0.00 C ATOM 1054 CG ARG A 75 0.919 9.607 8.130 1.00 0.00 C ATOM 1055 CD ARG A 75 1.094 11.124 8.030 1.00 0.00 C ATOM 1056 NE ARG A 75 -0.158 11.805 8.433 1.00 0.00 N ATOM 1057 CZ ARG A 75 -0.235 13.101 8.761 1.00 0.00 C ATOM 1058 NH1 ARG A 75 0.866 13.866 8.738 1.00 0.00 N ATOM 1059 NH2 ARG A 75 -1.413 13.634 9.115 1.00 0.00 N ATOM 0 H ARG A 75 1.112 6.913 7.824 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.552 8.025 8.410 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.239 8.979 6.181 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.957 9.873 7.099 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.666 9.333 9.154 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.860 9.112 7.891 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.916 11.447 8.670 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.357 11.402 7.009 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.015 11.252 8.463 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.763 13.461 8.470 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.806 14.853 8.988 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.251 13.052 9.135 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.472 14.621 9.365 1.00 0.00 H new ATOM 1070 N ILE A 76 -0.540 6.347 5.766 1.00 0.00 N ATOM 1071 CA ILE A 76 -0.985 5.587 4.610 1.00 0.00 C ATOM 1072 C ILE A 76 -2.337 4.942 4.919 1.00 0.00 C ATOM 1073 O ILE A 76 -2.473 4.220 5.905 1.00 0.00 O ATOM 1074 CB ILE A 76 0.090 4.587 4.180 1.00 0.00 C ATOM 1075 CG1 ILE A 76 1.358 5.309 3.718 1.00 0.00 C ATOM 1076 CG2 ILE A 76 -0.446 3.632 3.113 1.00 0.00 C ATOM 1077 CD1 ILE A 76 2.383 4.317 3.165 1.00 0.00 C ATOM 0 H ILE A 76 0.460 6.284 5.959 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.134 6.246 3.755 1.00 0.00 H new ATOM 0 HB ILE A 76 0.361 3.983 5.046 1.00 0.00 H new ATOM 0 HG12 ILE A 76 1.105 6.041 2.951 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.792 5.859 4.553 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.338 2.932 2.825 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.297 3.080 3.513 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.762 4.203 2.240 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.274 4.856 2.844 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.652 3.601 3.942 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.954 3.786 2.315 1.00 0.00 H new ATOM 1088 N ARG A 77 -3.303 5.226 4.058 1.00 0.00 N ATOM 1089 CA ARG A 77 -4.640 4.683 4.227 1.00 0.00 C ATOM 1090 C ARG A 77 -5.263 4.375 2.864 1.00 0.00 C ATOM 1091 O ARG A 77 -5.285 5.231 1.980 1.00 0.00 O ATOM 1092 CB ARG A 77 -5.541 5.660 4.983 1.00 0.00 C ATOM 1093 CG ARG A 77 -5.302 5.571 6.492 1.00 0.00 C ATOM 1094 CD ARG A 77 -6.259 4.569 7.139 1.00 0.00 C ATOM 1095 NE ARG A 77 -6.215 4.706 8.612 1.00 0.00 N ATOM 1096 CZ ARG A 77 -7.099 4.141 9.447 1.00 0.00 C ATOM 1097 NH1 ARG A 77 -8.101 3.398 8.958 1.00 0.00 N ATOM 1098 NH2 ARG A 77 -6.981 4.320 10.769 1.00 0.00 N ATOM 0 H ARG A 77 -3.186 5.825 3.241 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.554 3.764 4.807 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -5.349 6.677 4.640 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.586 5.441 4.763 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.272 5.272 6.684 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.438 6.553 6.944 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.274 4.739 6.780 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -5.985 3.554 6.852 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.465 5.266 9.018 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -8.191 3.262 7.951 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -8.774 2.968 9.593 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.219 4.886 11.141 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -7.654 3.890 11.404 1.00 0.00 H new ATOM 1109 N PHE A 78 -5.756 3.152 2.736 1.00 0.00 N ATOM 1110 CA PHE A 78 -6.379 2.721 1.496 1.00 0.00 C ATOM 1111 C PHE A 78 -7.871 3.060 1.485 1.00 0.00 C ATOM 1112 O PHE A 78 -8.533 2.995 2.519 1.00 0.00 O ATOM 1113 CB PHE A 78 -6.212 1.202 1.415 1.00 0.00 C ATOM 1114 CG PHE A 78 -4.860 0.754 0.855 1.00 0.00 C ATOM 1115 CD1 PHE A 78 -3.708 1.215 1.409 1.00 0.00 C ATOM 1116 CD2 PHE A 78 -4.813 -0.105 -0.199 1.00 0.00 C ATOM 1117 CE1 PHE A 78 -2.454 0.798 0.888 1.00 0.00 C ATOM 1118 CE2 PHE A 78 -3.559 -0.521 -0.719 1.00 0.00 C ATOM 1119 CZ PHE A 78 -2.406 -0.060 -0.165 1.00 0.00 C ATOM 0 H PHE A 78 -5.737 2.445 3.471 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.913 3.227 0.650 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.339 0.779 2.412 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -7.006 0.792 0.791 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -3.746 1.898 2.245 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -5.729 -0.470 -0.640 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.538 1.163 1.329 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -3.521 -1.204 -1.555 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.452 -0.376 -0.562 1.00 0.00 H new ATOM 1128 N LYS A 79 -8.356 3.413 0.304 1.00 0.00 N ATOM 1129 CA LYS A 79 -9.758 3.761 0.144 1.00 0.00 C ATOM 1130 C LYS A 79 -10.331 3.013 -1.060 1.00 0.00 C ATOM 1131 O LYS A 79 -9.899 3.225 -2.191 1.00 0.00 O ATOM 1132 CB LYS A 79 -9.927 5.280 0.062 1.00 0.00 C ATOM 1133 CG LYS A 79 -10.234 5.873 1.439 1.00 0.00 C ATOM 1134 CD LYS A 79 -11.743 5.917 1.691 1.00 0.00 C ATOM 1135 CE LYS A 79 -12.361 7.185 1.099 1.00 0.00 C ATOM 1136 NZ LYS A 79 -13.799 6.977 0.816 1.00 0.00 N ATOM 0 H LYS A 79 -7.803 3.466 -0.552 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.330 3.446 1.017 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.018 5.730 -0.337 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.733 5.523 -0.630 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.749 5.277 2.212 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.821 6.879 1.506 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.215 5.039 1.251 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.938 5.880 2.763 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.237 8.016 1.794 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.839 7.457 0.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.203 7.847 0.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.910 6.198 0.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -14.296 6.740 1.698 1.00 0.00 H new ATOM 1146 N LEU A 80 -11.297 2.151 -0.776 1.00 0.00 N ATOM 1147 CA LEU A 80 -11.935 1.369 -1.821 1.00 0.00 C ATOM 1148 C LEU A 80 -13.156 2.128 -2.346 1.00 0.00 C ATOM 1149 O LEU A 80 -13.824 2.832 -1.591 1.00 0.00 O ATOM 1150 CB LEU A 80 -12.255 -0.039 -1.318 1.00 0.00 C ATOM 1151 CG LEU A 80 -11.092 -1.033 -1.321 1.00 0.00 C ATOM 1152 CD1 LEU A 80 -11.539 -2.403 -0.807 1.00 0.00 C ATOM 1153 CD2 LEU A 80 -10.452 -1.123 -2.708 1.00 0.00 C ATOM 0 H LEU A 80 -11.653 1.977 0.164 1.00 0.00 H new ATOM 0 HA LEU A 80 -11.257 1.234 -2.663 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -12.638 0.039 -0.300 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.058 -0.448 -1.931 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.328 -0.666 -0.636 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -10.693 -3.090 -0.820 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -11.912 -2.305 0.213 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -12.331 -2.791 -1.447 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.628 -1.836 -2.683 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -11.197 -1.454 -3.432 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.075 -0.143 -2.999 1.00 0.00 H new ATOM 1164 N LYS A 81 -13.411 1.956 -3.635 1.00 0.00 N ATOM 1165 CA LYS A 81 -14.539 2.615 -4.269 1.00 0.00 C ATOM 1166 C LYS A 81 -15.787 2.425 -3.404 1.00 0.00 C ATOM 1167 O LYS A 81 -15.981 1.363 -2.814 1.00 0.00 O ATOM 1168 CB LYS A 81 -14.707 2.124 -5.708 1.00 0.00 C ATOM 1169 CG LYS A 81 -15.251 0.694 -5.739 1.00 0.00 C ATOM 1170 CD LYS A 81 -16.176 0.485 -6.939 1.00 0.00 C ATOM 1171 CE LYS A 81 -17.095 -0.719 -6.721 1.00 0.00 C ATOM 1172 NZ LYS A 81 -17.922 -0.966 -7.923 1.00 0.00 N ATOM 0 H LYS A 81 -12.855 1.369 -4.257 1.00 0.00 H new ATOM 0 HA LYS A 81 -14.362 3.688 -4.342 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -15.385 2.787 -6.245 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -13.748 2.163 -6.224 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -14.423 -0.013 -5.786 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -15.794 0.488 -4.817 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -16.776 1.380 -7.100 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -15.581 0.334 -7.839 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -16.498 -1.603 -6.495 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -17.739 -0.541 -5.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -18.539 -1.786 -7.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -18.505 -0.128 -8.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -17.303 -1.157 -8.737 1.00 0.00 H new