USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 657 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 GLN : amide:sc= -0.162! K(o=-0.83!,f=-1.4) USER MOD Set 1.2: A 62 CYS SG : rot 114:sc= -0.664 USER MOD Set 2.1: A 30 CYS SG : rot 131:sc= -0.749 USER MOD Set 2.2: A 79 CYS SG : rot 111:sc= 0.122 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -1.01 K(o=-1,f=-4.4!) USER MOD Single : A 18 GLN : amide:sc= -9.91! C(o=-9.9!,f=-24!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 33 ASN : amide:sc= -2.94! C(o=-2.9!,f=-16!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 174:sc= -0.221 (180deg=-0.317) USER MOD Single : A 44 SER OG : rot -58:sc= 0.0324 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= -0.0397 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.00143 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 MET CE :methyl 140:sc= -2.4 (180deg=-4.42!) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.937 USER MOD Single : A 77 TYR OH : rot 180:sc= -0.0536 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 CYS SG : rot -94:sc= -1.7! USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 THR OG1 : rot 166:sc= -0.684 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -159:sc= -0.0288 (180deg=-0.321) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 -13.720 16.205 4.597 1.00 0.00 N ATOM 81 CA ALA A 9 -13.082 16.161 3.287 1.00 0.00 C ATOM 82 C ALA A 9 -13.666 15.043 2.430 1.00 0.00 C ATOM 83 O ALA A 9 -13.972 13.960 2.930 1.00 0.00 O ATOM 84 CB ALA A 9 -11.579 15.984 3.437 1.00 0.00 C ATOM 0 HA ALA A 9 -13.276 17.108 2.784 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -11.116 15.953 2.451 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -11.169 16.820 4.004 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -11.373 15.052 3.964 1.00 0.00 H new ATOM 90 N ARG A 10 -13.818 15.312 1.138 1.00 0.00 N ATOM 91 CA ARG A 10 -14.367 14.328 0.212 1.00 0.00 C ATOM 92 C ARG A 10 -13.350 13.973 -0.869 1.00 0.00 C ATOM 93 O ARG A 10 -12.621 14.836 -1.359 1.00 0.00 O ATOM 94 CB ARG A 10 -15.647 14.862 -0.433 1.00 0.00 C ATOM 95 CG ARG A 10 -15.399 15.931 -1.485 1.00 0.00 C ATOM 96 CD ARG A 10 -16.613 16.123 -2.381 1.00 0.00 C ATOM 97 NE ARG A 10 -16.636 17.448 -2.995 1.00 0.00 N ATOM 98 CZ ARG A 10 -17.440 17.778 -4.000 1.00 0.00 C ATOM 99 NH1 ARG A 10 -18.282 16.885 -4.501 1.00 0.00 N ATOM 100 NH2 ARG A 10 -17.403 19.005 -4.505 1.00 0.00 N ATOM 0 H ARG A 10 -13.569 16.203 0.708 1.00 0.00 H new ATOM 0 HA ARG A 10 -14.602 13.426 0.777 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -16.187 14.033 -0.890 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -16.292 15.272 0.344 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -15.153 16.874 -0.996 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -14.538 15.653 -2.092 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -16.612 15.362 -3.161 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -17.522 15.979 -1.796 1.00 0.00 H new ATOM 0 HE ARG A 10 -16.000 18.159 -2.633 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -18.314 15.941 -4.115 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -18.898 17.142 -5.273 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -16.757 19.695 -4.122 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -18.020 19.258 -5.277 1.00 0.00 H new ATOM 114 N PHE A 11 -13.307 12.697 -1.237 1.00 0.00 N ATOM 115 CA PHE A 11 -12.379 12.226 -2.259 1.00 0.00 C ATOM 116 C PHE A 11 -12.766 12.763 -3.634 1.00 0.00 C ATOM 117 O PHE A 11 -13.703 12.270 -4.263 1.00 0.00 O ATOM 118 CB PHE A 11 -12.350 10.697 -2.286 1.00 0.00 C ATOM 119 CG PHE A 11 -11.726 10.087 -1.063 1.00 0.00 C ATOM 120 CD1 PHE A 11 -10.355 9.897 -0.991 1.00 0.00 C ATOM 121 CD2 PHE A 11 -12.509 9.705 0.013 1.00 0.00 C ATOM 122 CE1 PHE A 11 -9.778 9.336 0.133 1.00 0.00 C ATOM 123 CE2 PHE A 11 -11.938 9.143 1.140 1.00 0.00 C ATOM 124 CZ PHE A 11 -10.570 8.959 1.200 1.00 0.00 C ATOM 0 H PHE A 11 -13.904 11.970 -0.843 1.00 0.00 H new ATOM 0 HA PHE A 11 -11.385 12.597 -2.010 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -13.369 10.324 -2.388 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -11.800 10.368 -3.167 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -9.731 10.190 -1.822 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -13.579 9.848 -0.028 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.708 9.193 0.177 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -12.560 8.848 1.972 1.00 0.00 H new ATOM 0 HZ PHE A 11 -10.121 8.521 2.079 1.00 0.00 H new ATOM 134 N ILE A 12 -12.039 13.777 -4.092 1.00 0.00 N ATOM 135 CA ILE A 12 -12.306 14.380 -5.392 1.00 0.00 C ATOM 136 C ILE A 12 -11.902 13.445 -6.526 1.00 0.00 C ATOM 137 O ILE A 12 -12.480 13.484 -7.612 1.00 0.00 O ATOM 138 CB ILE A 12 -11.560 15.718 -5.555 1.00 0.00 C ATOM 139 CG1 ILE A 12 -10.048 15.496 -5.486 1.00 0.00 C ATOM 140 CG2 ILE A 12 -12.005 16.706 -4.486 1.00 0.00 C ATOM 141 CD1 ILE A 12 -9.240 16.694 -5.932 1.00 0.00 C ATOM 0 H ILE A 12 -11.262 14.198 -3.583 1.00 0.00 H new ATOM 0 HA ILE A 12 -13.380 14.563 -5.440 1.00 0.00 H new ATOM 0 HB ILE A 12 -11.803 16.136 -6.532 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.773 15.243 -4.462 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.786 14.640 -6.107 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -11.469 17.647 -4.614 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -13.077 16.883 -4.578 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -11.788 16.297 -3.499 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -8.177 16.465 -5.857 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -9.487 16.935 -6.966 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.473 17.547 -5.295 1.00 0.00 H new ATOM 153 N GLU A 13 -10.906 12.603 -6.265 1.00 0.00 N ATOM 154 CA GLU A 13 -10.426 11.656 -7.265 1.00 0.00 C ATOM 155 C GLU A 13 -10.320 10.252 -6.677 1.00 0.00 C ATOM 156 O GLU A 13 -9.638 10.036 -5.675 1.00 0.00 O ATOM 157 CB GLU A 13 -9.064 12.098 -7.806 1.00 0.00 C ATOM 158 CG GLU A 13 -9.158 13.092 -8.951 1.00 0.00 C ATOM 159 CD GLU A 13 -10.212 12.709 -9.972 1.00 0.00 C ATOM 160 OE1 GLU A 13 -10.063 11.644 -10.608 1.00 0.00 O ATOM 161 OE2 GLU A 13 -11.186 13.473 -10.134 1.00 0.00 O ATOM 0 H GLU A 13 -10.417 12.558 -5.371 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.145 11.636 -8.084 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.488 12.544 -6.995 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.514 11.219 -8.143 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.387 14.080 -8.551 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.189 13.164 -9.445 1.00 0.00 H new ATOM 168 N ASP A 14 -11.000 9.301 -7.308 1.00 0.00 N ATOM 169 CA ASP A 14 -10.983 7.916 -6.849 1.00 0.00 C ATOM 170 C ASP A 14 -9.763 7.179 -7.392 1.00 0.00 C ATOM 171 O ASP A 14 -9.493 7.204 -8.593 1.00 0.00 O ATOM 172 CB ASP A 14 -12.263 7.198 -7.280 1.00 0.00 C ATOM 173 CG ASP A 14 -13.505 8.034 -7.041 1.00 0.00 C ATOM 174 OD1 ASP A 14 -14.034 8.001 -5.911 1.00 0.00 O ATOM 175 OD2 ASP A 14 -13.946 8.722 -7.985 1.00 0.00 O ATOM 0 H ASP A 14 -11.570 9.463 -8.138 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.927 7.920 -5.760 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -12.196 6.947 -8.338 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -12.350 6.259 -6.734 1.00 0.00 H new ATOM 180 N VAL A 15 -9.028 6.524 -6.499 1.00 0.00 N ATOM 181 CA VAL A 15 -7.837 5.779 -6.888 1.00 0.00 C ATOM 182 C VAL A 15 -8.109 4.903 -8.106 1.00 0.00 C ATOM 183 O VAL A 15 -9.259 4.588 -8.413 1.00 0.00 O ATOM 184 CB VAL A 15 -7.328 4.892 -5.736 1.00 0.00 C ATOM 185 CG1 VAL A 15 -6.982 5.741 -4.522 1.00 0.00 C ATOM 186 CG2 VAL A 15 -8.362 3.835 -5.381 1.00 0.00 C ATOM 0 H VAL A 15 -9.237 6.494 -5.501 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.072 6.514 -7.136 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.421 4.384 -6.064 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.624 5.098 -3.718 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.204 6.456 -4.788 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.870 6.278 -4.189 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.986 3.217 -4.565 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.287 4.321 -5.071 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.555 3.208 -6.252 1.00 0.00 H new ATOM 196 N LYS A 16 -7.044 4.512 -8.797 1.00 0.00 N ATOM 197 CA LYS A 16 -7.166 3.670 -9.981 1.00 0.00 C ATOM 198 C LYS A 16 -6.991 2.198 -9.623 1.00 0.00 C ATOM 199 O LYS A 16 -6.358 1.864 -8.622 1.00 0.00 O ATOM 200 CB LYS A 16 -6.130 4.078 -11.031 1.00 0.00 C ATOM 201 CG LYS A 16 -6.154 5.559 -11.367 1.00 0.00 C ATOM 202 CD LYS A 16 -7.537 6.007 -11.810 1.00 0.00 C ATOM 203 CE LYS A 16 -7.509 7.415 -12.384 1.00 0.00 C ATOM 204 NZ LYS A 16 -7.211 7.414 -13.843 1.00 0.00 N ATOM 0 H LYS A 16 -6.085 4.765 -8.557 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.166 3.808 -10.393 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.136 3.812 -10.671 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.303 3.505 -11.942 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.845 6.136 -10.495 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.433 5.766 -12.158 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.922 5.315 -12.559 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.221 5.972 -10.962 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.471 7.897 -12.210 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.757 8.006 -11.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.201 8.392 -14.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.282 6.977 -14.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.942 6.872 -14.346 1.00 0.00 H new ATOM 218 N ASN A 17 -7.555 1.322 -10.448 1.00 0.00 N ATOM 219 CA ASN A 17 -7.460 -0.115 -10.218 1.00 0.00 C ATOM 220 C ASN A 17 -6.011 -0.535 -9.990 1.00 0.00 C ATOM 221 O ASN A 17 -5.131 -0.224 -10.792 1.00 0.00 O ATOM 222 CB ASN A 17 -8.044 -0.883 -11.406 1.00 0.00 C ATOM 223 CG ASN A 17 -7.419 -0.469 -12.724 1.00 0.00 C ATOM 224 OD1 ASN A 17 -6.600 0.448 -12.775 1.00 0.00 O ATOM 225 ND2 ASN A 17 -7.804 -1.147 -13.800 1.00 0.00 N ATOM 0 H ASN A 17 -8.082 1.582 -11.281 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.034 -0.353 -9.322 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.892 -1.952 -11.255 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -9.120 -0.717 -11.449 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -7.417 -0.914 -14.715 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -8.486 -1.900 -13.711 1.00 0.00 H new ATOM 232 N GLN A 18 -5.772 -1.243 -8.890 1.00 0.00 N ATOM 233 CA GLN A 18 -4.430 -1.705 -8.557 1.00 0.00 C ATOM 234 C GLN A 18 -4.145 -3.059 -9.198 1.00 0.00 C ATOM 235 O GLN A 18 -4.989 -3.955 -9.177 1.00 0.00 O ATOM 236 CB GLN A 18 -4.263 -1.800 -7.039 1.00 0.00 C ATOM 237 CG GLN A 18 -2.822 -1.659 -6.576 1.00 0.00 C ATOM 238 CD GLN A 18 -2.448 -0.223 -6.263 1.00 0.00 C ATOM 239 OE1 GLN A 18 -1.653 0.041 -5.361 1.00 0.00 O ATOM 240 NE2 GLN A 18 -3.022 0.714 -7.008 1.00 0.00 N ATOM 0 H GLN A 18 -6.490 -1.509 -8.215 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.716 -0.981 -8.950 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.865 -1.024 -6.566 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.653 -2.759 -6.698 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.668 -2.272 -5.688 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.157 -2.044 -7.349 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.675 0.450 -7.745 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -2.810 1.698 -6.843 1.00 0.00 H new ATOM 249 N GLU A 19 -2.952 -3.200 -9.767 1.00 0.00 N ATOM 250 CA GLU A 19 -2.558 -4.446 -10.414 1.00 0.00 C ATOM 251 C GLU A 19 -1.039 -4.595 -10.429 1.00 0.00 C ATOM 252 O GLU A 19 -0.323 -3.713 -10.903 1.00 0.00 O ATOM 253 CB GLU A 19 -3.100 -4.497 -11.844 1.00 0.00 C ATOM 254 CG GLU A 19 -2.774 -5.789 -12.574 1.00 0.00 C ATOM 255 CD GLU A 19 -3.248 -5.782 -14.014 1.00 0.00 C ATOM 256 OE1 GLU A 19 -4.470 -5.653 -14.235 1.00 0.00 O ATOM 257 OE2 GLU A 19 -2.397 -5.904 -14.920 1.00 0.00 O ATOM 0 H GLU A 19 -2.242 -2.468 -9.793 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.981 -5.272 -9.842 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.182 -4.368 -11.818 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.692 -3.658 -12.408 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.697 -5.953 -12.551 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.235 -6.625 -12.048 1.00 0.00 H new ATOM 264 N ALA A 20 -0.555 -5.716 -9.906 1.00 0.00 N ATOM 265 CA ALA A 20 0.877 -5.982 -9.860 1.00 0.00 C ATOM 266 C ALA A 20 1.155 -7.479 -9.782 1.00 0.00 C ATOM 267 O ALA A 20 0.327 -8.249 -9.295 1.00 0.00 O ATOM 268 CB ALA A 20 1.510 -5.263 -8.678 1.00 0.00 C ATOM 0 H ALA A 20 -1.134 -6.455 -9.508 1.00 0.00 H new ATOM 0 HA ALA A 20 1.321 -5.604 -10.781 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.580 -5.471 -8.656 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.351 -4.189 -8.778 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.053 -5.613 -7.752 1.00 0.00 H new ATOM 274 N ARG A 21 2.326 -7.885 -10.264 1.00 0.00 N ATOM 275 CA ARG A 21 2.712 -9.291 -10.250 1.00 0.00 C ATOM 276 C ARG A 21 3.127 -9.726 -8.848 1.00 0.00 C ATOM 277 O ARG A 21 3.678 -8.938 -8.081 1.00 0.00 O ATOM 278 CB ARG A 21 3.859 -9.536 -11.232 1.00 0.00 C ATOM 279 CG ARG A 21 3.399 -9.735 -12.667 1.00 0.00 C ATOM 280 CD ARG A 21 4.358 -10.628 -13.440 1.00 0.00 C ATOM 281 NE ARG A 21 4.354 -10.326 -14.869 1.00 0.00 N ATOM 282 CZ ARG A 21 3.394 -10.716 -15.700 1.00 0.00 C ATOM 283 NH1 ARG A 21 2.365 -11.418 -15.247 1.00 0.00 N ATOM 284 NH2 ARG A 21 3.462 -10.402 -16.988 1.00 0.00 N ATOM 0 H ARG A 21 3.023 -7.260 -10.669 1.00 0.00 H new ATOM 0 HA ARG A 21 1.849 -9.883 -10.555 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.546 -8.691 -11.193 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.418 -10.416 -10.913 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.403 -10.178 -12.673 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.321 -8.767 -13.163 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.367 -10.504 -13.046 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.083 -11.672 -13.289 1.00 0.00 H new ATOM 0 HE ARG A 21 5.131 -9.786 -15.250 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.309 -11.660 -14.258 1.00 0.00 H new ATOM 0 HH12 ARG A 21 1.629 -11.716 -15.888 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.252 -9.861 -17.340 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.724 -10.702 -17.626 1.00 0.00 H new ATOM 298 N GLU A 22 2.857 -10.987 -8.521 1.00 0.00 N ATOM 299 CA GLU A 22 3.201 -11.526 -7.211 1.00 0.00 C ATOM 300 C GLU A 22 4.643 -11.187 -6.845 1.00 0.00 C ATOM 301 O GLU A 22 5.556 -11.351 -7.654 1.00 0.00 O ATOM 302 CB GLU A 22 3.001 -13.043 -7.190 1.00 0.00 C ATOM 303 CG GLU A 22 1.612 -13.467 -6.746 1.00 0.00 C ATOM 304 CD GLU A 22 1.481 -14.971 -6.596 1.00 0.00 C ATOM 305 OE1 GLU A 22 1.862 -15.697 -7.537 1.00 0.00 O ATOM 306 OE2 GLU A 22 0.998 -15.420 -5.536 1.00 0.00 O ATOM 0 H GLU A 22 2.402 -11.653 -9.145 1.00 0.00 H new ATOM 0 HA GLU A 22 2.540 -11.070 -6.474 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.192 -13.440 -8.187 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.739 -13.489 -6.523 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.377 -12.989 -5.795 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.879 -13.113 -7.471 1.00 0.00 H new ATOM 313 N GLY A 23 4.841 -10.711 -5.619 1.00 0.00 N ATOM 314 CA GLY A 23 6.173 -10.356 -5.166 1.00 0.00 C ATOM 315 C GLY A 23 6.517 -8.908 -5.458 1.00 0.00 C ATOM 316 O GLY A 23 7.684 -8.567 -5.646 1.00 0.00 O ATOM 0 H GLY A 23 4.102 -10.565 -4.931 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.249 -10.535 -4.094 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.903 -11.005 -5.650 1.00 0.00 H new ATOM 320 N ALA A 24 5.498 -8.056 -5.496 1.00 0.00 N ATOM 321 CA ALA A 24 5.699 -6.638 -5.767 1.00 0.00 C ATOM 322 C ALA A 24 5.047 -5.776 -4.690 1.00 0.00 C ATOM 323 O ALA A 24 4.450 -6.292 -3.744 1.00 0.00 O ATOM 324 CB ALA A 24 5.148 -6.279 -7.139 1.00 0.00 C ATOM 0 H ALA A 24 4.526 -8.323 -5.343 1.00 0.00 H new ATOM 0 HA ALA A 24 6.771 -6.439 -5.755 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.305 -5.217 -7.328 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.663 -6.863 -7.902 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.081 -6.499 -7.172 1.00 0.00 H new ATOM 330 N THR A 25 5.165 -4.460 -4.840 1.00 0.00 N ATOM 331 CA THR A 25 4.588 -3.527 -3.880 1.00 0.00 C ATOM 332 C THR A 25 3.603 -2.581 -4.557 1.00 0.00 C ATOM 333 O THR A 25 4.002 -1.657 -5.264 1.00 0.00 O ATOM 334 CB THR A 25 5.680 -2.698 -3.178 1.00 0.00 C ATOM 335 OG1 THR A 25 6.625 -3.568 -2.545 1.00 0.00 O ATOM 336 CG2 THR A 25 5.069 -1.765 -2.143 1.00 0.00 C ATOM 0 H THR A 25 5.655 -4.017 -5.617 1.00 0.00 H new ATOM 0 HA THR A 25 4.061 -4.124 -3.136 1.00 0.00 H new ATOM 0 HB THR A 25 6.189 -2.096 -3.931 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.317 -3.033 -2.103 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.859 -1.190 -1.660 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.372 -1.085 -2.633 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.537 -2.351 -1.394 1.00 0.00 H new ATOM 344 N ALA A 26 2.315 -2.818 -4.334 1.00 0.00 N ATOM 345 CA ALA A 26 1.272 -1.984 -4.920 1.00 0.00 C ATOM 346 C ALA A 26 1.334 -0.562 -4.374 1.00 0.00 C ATOM 347 O ALA A 26 1.902 -0.320 -3.308 1.00 0.00 O ATOM 348 CB ALA A 26 -0.098 -2.592 -4.661 1.00 0.00 C ATOM 0 H ALA A 26 1.968 -3.580 -3.752 1.00 0.00 H new ATOM 0 HA ALA A 26 1.440 -1.939 -5.996 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.867 -1.959 -5.104 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.145 -3.586 -5.106 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.265 -2.668 -3.587 1.00 0.00 H new ATOM 354 N VAL A 27 0.748 0.376 -5.110 1.00 0.00 N ATOM 355 CA VAL A 27 0.736 1.775 -4.698 1.00 0.00 C ATOM 356 C VAL A 27 -0.606 2.428 -5.009 1.00 0.00 C ATOM 357 O VAL A 27 -0.914 2.721 -6.165 1.00 0.00 O ATOM 358 CB VAL A 27 1.856 2.573 -5.392 1.00 0.00 C ATOM 359 CG1 VAL A 27 1.797 4.038 -4.986 1.00 0.00 C ATOM 360 CG2 VAL A 27 3.216 1.975 -5.066 1.00 0.00 C ATOM 0 H VAL A 27 0.275 0.193 -5.995 1.00 0.00 H new ATOM 0 HA VAL A 27 0.903 1.790 -3.621 1.00 0.00 H new ATOM 0 HB VAL A 27 1.708 2.513 -6.470 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.595 4.586 -5.486 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.833 4.457 -5.275 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.920 4.122 -3.906 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.996 2.551 -5.564 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.377 2.003 -3.988 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.251 0.942 -5.411 1.00 0.00 H new ATOM 370 N LEU A 28 -1.403 2.653 -3.970 1.00 0.00 N ATOM 371 CA LEU A 28 -2.713 3.273 -4.131 1.00 0.00 C ATOM 372 C LEU A 28 -2.666 4.752 -3.760 1.00 0.00 C ATOM 373 O LEU A 28 -2.462 5.104 -2.599 1.00 0.00 O ATOM 374 CB LEU A 28 -3.750 2.552 -3.267 1.00 0.00 C ATOM 375 CG LEU A 28 -4.314 1.252 -3.840 1.00 0.00 C ATOM 376 CD1 LEU A 28 -4.680 0.290 -2.721 1.00 0.00 C ATOM 377 CD2 LEU A 28 -5.523 1.536 -4.718 1.00 0.00 C ATOM 0 H LEU A 28 -1.165 2.415 -3.007 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.000 3.189 -5.179 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.298 2.333 -2.299 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.580 3.235 -3.084 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.545 0.785 -4.456 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.080 -0.630 -3.148 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.791 0.061 -2.133 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.432 0.748 -2.078 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.911 0.599 -5.117 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.296 2.026 -4.126 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.230 2.187 -5.541 1.00 0.00 H new ATOM 389 N GLN A 29 -2.857 5.612 -4.755 1.00 0.00 N ATOM 390 CA GLN A 29 -2.837 7.053 -4.533 1.00 0.00 C ATOM 391 C GLN A 29 -4.211 7.663 -4.790 1.00 0.00 C ATOM 392 O GLN A 29 -4.935 7.229 -5.686 1.00 0.00 O ATOM 393 CB GLN A 29 -1.795 7.716 -5.435 1.00 0.00 C ATOM 394 CG GLN A 29 -0.367 7.299 -5.124 1.00 0.00 C ATOM 395 CD GLN A 29 0.660 8.157 -5.836 1.00 0.00 C ATOM 396 OE1 GLN A 29 0.588 9.386 -5.805 1.00 0.00 O ATOM 397 NE2 GLN A 29 1.625 7.513 -6.482 1.00 0.00 N ATOM 0 H GLN A 29 -3.027 5.336 -5.722 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.570 7.230 -3.491 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.018 7.472 -6.474 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.878 8.798 -5.337 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.201 7.358 -4.048 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.226 6.257 -5.411 1.00 0.00 H new ATOM 0 HE21 GLN A 29 1.646 6.493 -6.482 1.00 0.00 H new ATOM 0 HE22 GLN A 29 2.345 8.038 -6.978 1.00 0.00 H new ATOM 406 N CYS A 30 -4.564 8.670 -3.998 1.00 0.00 N ATOM 407 CA CYS A 30 -5.852 9.338 -4.140 1.00 0.00 C ATOM 408 C CYS A 30 -5.709 10.843 -3.938 1.00 0.00 C ATOM 409 O CYS A 30 -4.609 11.346 -3.711 1.00 0.00 O ATOM 410 CB CYS A 30 -6.858 8.770 -3.137 1.00 0.00 C ATOM 411 SG CYS A 30 -6.721 9.472 -1.476 1.00 0.00 S ATOM 0 H CYS A 30 -3.976 9.041 -3.252 1.00 0.00 H new ATOM 0 HA CYS A 30 -6.217 9.158 -5.151 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.867 8.945 -3.512 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.723 7.690 -3.076 1.00 0.00 H new ATOM 0 HG CYS A 30 -7.897 9.838 -1.061 1.00 0.00 H new ATOM 417 N GLU A 31 -6.828 11.556 -4.024 1.00 0.00 N ATOM 418 CA GLU A 31 -6.825 13.004 -3.854 1.00 0.00 C ATOM 419 C GLU A 31 -8.028 13.457 -3.030 1.00 0.00 C ATOM 420 O GLU A 31 -9.103 12.861 -3.101 1.00 0.00 O ATOM 421 CB GLU A 31 -6.834 13.701 -5.216 1.00 0.00 C ATOM 422 CG GLU A 31 -6.220 15.090 -5.193 1.00 0.00 C ATOM 423 CD GLU A 31 -5.782 15.557 -6.568 1.00 0.00 C ATOM 424 OE1 GLU A 31 -6.632 15.591 -7.482 1.00 0.00 O ATOM 425 OE2 GLU A 31 -4.589 15.888 -6.729 1.00 0.00 O ATOM 0 H GLU A 31 -7.747 11.155 -4.210 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.915 13.279 -3.320 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.292 13.085 -5.933 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.862 13.773 -5.571 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.944 15.797 -4.787 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.361 15.092 -4.522 1.00 0.00 H new ATOM 432 N LEU A 32 -7.838 14.515 -2.249 1.00 0.00 N ATOM 433 CA LEU A 32 -8.906 15.048 -1.411 1.00 0.00 C ATOM 434 C LEU A 32 -9.168 16.516 -1.732 1.00 0.00 C ATOM 435 O LEU A 32 -8.278 17.229 -2.194 1.00 0.00 O ATOM 436 CB LEU A 32 -8.545 14.895 0.068 1.00 0.00 C ATOM 437 CG LEU A 32 -8.369 13.461 0.570 1.00 0.00 C ATOM 438 CD1 LEU A 32 -7.379 13.418 1.724 1.00 0.00 C ATOM 439 CD2 LEU A 32 -9.709 12.875 0.992 1.00 0.00 C ATOM 0 H LEU A 32 -6.955 15.020 -2.179 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.814 14.482 -1.618 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.620 15.440 0.254 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.322 15.374 0.663 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.972 12.857 -0.246 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.266 12.390 2.068 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.413 13.797 1.389 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.747 14.037 2.542 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.564 11.854 1.346 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.135 13.480 1.792 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.389 12.870 0.140 1.00 0.00 H new ATOM 451 N ASN A 33 -10.395 16.961 -1.483 1.00 0.00 N ATOM 452 CA ASN A 33 -10.775 18.345 -1.744 1.00 0.00 C ATOM 453 C ASN A 33 -10.046 19.296 -0.800 1.00 0.00 C ATOM 454 O ASN A 33 -9.866 20.475 -1.106 1.00 0.00 O ATOM 455 CB ASN A 33 -12.287 18.518 -1.593 1.00 0.00 C ATOM 456 CG ASN A 33 -12.793 18.034 -0.248 1.00 0.00 C ATOM 457 OD1 ASN A 33 -12.102 17.303 0.461 1.00 0.00 O ATOM 458 ND2 ASN A 33 -14.006 18.440 0.109 1.00 0.00 N ATOM 0 H ASN A 33 -11.144 16.383 -1.101 1.00 0.00 H new ATOM 0 HA ASN A 33 -10.489 18.587 -2.768 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -12.544 19.570 -1.718 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -12.794 17.970 -2.387 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -14.400 18.146 1.003 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -14.544 19.046 -0.511 1.00 0.00 H new ATOM 465 N SER A 34 -9.627 18.775 0.349 1.00 0.00 N ATOM 466 CA SER A 34 -8.921 19.579 1.340 1.00 0.00 C ATOM 467 C SER A 34 -7.998 18.708 2.188 1.00 0.00 C ATOM 468 O SER A 34 -8.253 17.520 2.381 1.00 0.00 O ATOM 469 CB SER A 34 -9.918 20.311 2.240 1.00 0.00 C ATOM 470 OG SER A 34 -9.276 21.322 2.996 1.00 0.00 O ATOM 0 H SER A 34 -9.764 17.800 0.617 1.00 0.00 H new ATOM 0 HA SER A 34 -8.315 20.313 0.810 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.706 20.753 1.630 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.397 19.599 2.912 1.00 0.00 H new ATOM 0 HG SER A 34 -9.935 21.776 3.562 1.00 0.00 H new ATOM 476 N ALA A 35 -6.925 19.309 2.690 1.00 0.00 N ATOM 477 CA ALA A 35 -5.964 18.590 3.519 1.00 0.00 C ATOM 478 C ALA A 35 -6.662 17.864 4.664 1.00 0.00 C ATOM 479 O ALA A 35 -7.254 18.493 5.541 1.00 0.00 O ATOM 480 CB ALA A 35 -4.914 19.548 4.060 1.00 0.00 C ATOM 0 H ALA A 35 -6.699 20.292 2.538 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.472 17.843 2.897 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.203 18.998 4.677 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.387 20.017 3.229 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.399 20.317 4.662 1.00 0.00 H new ATOM 486 N ALA A 36 -6.589 16.538 4.650 1.00 0.00 N ATOM 487 CA ALA A 36 -7.213 15.727 5.688 1.00 0.00 C ATOM 488 C ALA A 36 -6.680 14.298 5.663 1.00 0.00 C ATOM 489 O ALA A 36 -6.243 13.791 4.630 1.00 0.00 O ATOM 490 CB ALA A 36 -8.726 15.731 5.524 1.00 0.00 C ATOM 0 H ALA A 36 -6.104 16.002 3.931 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.963 16.164 6.655 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.178 15.121 6.306 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.098 16.753 5.600 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -8.987 15.322 4.548 1.00 0.00 H new ATOM 496 N PRO A 37 -6.716 13.632 6.826 1.00 0.00 N ATOM 497 CA PRO A 37 -6.241 12.252 6.964 1.00 0.00 C ATOM 498 C PRO A 37 -7.146 11.253 6.251 1.00 0.00 C ATOM 499 O PRO A 37 -8.213 11.613 5.753 1.00 0.00 O ATOM 500 CB PRO A 37 -6.269 12.016 8.476 1.00 0.00 C ATOM 501 CG PRO A 37 -7.296 12.965 8.988 1.00 0.00 C ATOM 502 CD PRO A 37 -7.224 14.174 8.098 1.00 0.00 C ATOM 0 HA PRO A 37 -5.257 12.113 6.516 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.531 10.984 8.711 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.294 12.207 8.925 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -8.290 12.518 8.959 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.097 13.232 10.026 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.201 14.641 7.974 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.557 14.934 8.506 1.00 0.00 H new ATOM 510 N VAL A 38 -6.715 9.997 6.208 1.00 0.00 N ATOM 511 CA VAL A 38 -7.488 8.945 5.558 1.00 0.00 C ATOM 512 C VAL A 38 -7.142 7.575 6.130 1.00 0.00 C ATOM 513 O VAL A 38 -6.203 7.439 6.914 1.00 0.00 O ATOM 514 CB VAL A 38 -7.248 8.930 4.037 1.00 0.00 C ATOM 515 CG1 VAL A 38 -7.581 10.285 3.430 1.00 0.00 C ATOM 516 CG2 VAL A 38 -5.811 8.537 3.729 1.00 0.00 C ATOM 0 H VAL A 38 -5.834 9.683 6.616 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.539 9.160 5.750 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.908 8.187 3.590 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.405 10.255 2.355 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.628 10.521 3.620 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.949 11.050 3.880 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.659 8.531 2.650 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.131 9.255 4.188 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.612 7.543 4.129 1.00 0.00 H new ATOM 526 N GLU A 39 -7.905 6.563 5.730 1.00 0.00 N ATOM 527 CA GLU A 39 -7.678 5.202 6.204 1.00 0.00 C ATOM 528 C GLU A 39 -7.837 4.197 5.067 1.00 0.00 C ATOM 529 O GLU A 39 -8.827 4.224 4.335 1.00 0.00 O ATOM 530 CB GLU A 39 -8.648 4.864 7.338 1.00 0.00 C ATOM 531 CG GLU A 39 -8.337 3.550 8.034 1.00 0.00 C ATOM 532 CD GLU A 39 -8.147 2.404 7.059 1.00 0.00 C ATOM 533 OE1 GLU A 39 -9.045 2.186 6.218 1.00 0.00 O ATOM 534 OE2 GLU A 39 -7.102 1.726 7.136 1.00 0.00 O ATOM 0 H GLU A 39 -8.685 6.659 5.080 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.657 5.141 6.580 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.628 5.668 8.073 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.661 4.823 6.938 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.434 3.666 8.633 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.147 3.307 8.722 1.00 0.00 H new ATOM 541 N TRP A 40 -6.857 3.312 4.926 1.00 0.00 N ATOM 542 CA TRP A 40 -6.887 2.298 3.878 1.00 0.00 C ATOM 543 C TRP A 40 -7.411 0.973 4.418 1.00 0.00 C ATOM 544 O TRP A 40 -6.742 0.306 5.208 1.00 0.00 O ATOM 545 CB TRP A 40 -5.490 2.106 3.286 1.00 0.00 C ATOM 546 CG TRP A 40 -4.966 3.325 2.589 1.00 0.00 C ATOM 547 CD1 TRP A 40 -4.223 4.329 3.142 1.00 0.00 C ATOM 548 CD2 TRP A 40 -5.149 3.670 1.212 1.00 0.00 C ATOM 549 NE1 TRP A 40 -3.932 5.277 2.190 1.00 0.00 N ATOM 550 CE2 TRP A 40 -4.488 4.895 0.998 1.00 0.00 C ATOM 551 CE3 TRP A 40 -5.804 3.062 0.138 1.00 0.00 C ATOM 552 CZ2 TRP A 40 -4.466 5.522 -0.245 1.00 0.00 C ATOM 553 CZ3 TRP A 40 -5.782 3.685 -1.095 1.00 0.00 C ATOM 554 CH2 TRP A 40 -5.116 4.904 -1.279 1.00 0.00 C ATOM 0 H TRP A 40 -6.032 3.276 5.524 1.00 0.00 H new ATOM 0 HA TRP A 40 -7.562 2.641 3.094 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.801 1.828 4.083 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -5.513 1.275 2.581 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -3.910 4.372 4.175 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.390 6.127 2.346 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -6.318 2.122 0.269 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.954 6.462 -0.388 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -6.287 3.225 -1.931 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -5.116 5.365 -2.256 1.00 0.00 H new ATOM 565 N ARG A 41 -8.611 0.596 3.988 1.00 0.00 N ATOM 566 CA ARG A 41 -9.224 -0.651 4.431 1.00 0.00 C ATOM 567 C ARG A 41 -8.931 -1.780 3.447 1.00 0.00 C ATOM 568 O ARG A 41 -8.172 -1.606 2.493 1.00 0.00 O ATOM 569 CB ARG A 41 -10.736 -0.473 4.585 1.00 0.00 C ATOM 570 CG ARG A 41 -11.124 0.630 5.556 1.00 0.00 C ATOM 571 CD ARG A 41 -12.609 0.589 5.881 1.00 0.00 C ATOM 572 NE ARG A 41 -13.431 0.951 4.730 1.00 0.00 N ATOM 573 CZ ARG A 41 -14.704 0.594 4.595 1.00 0.00 C ATOM 574 NH1 ARG A 41 -15.296 -0.130 5.534 1.00 0.00 N ATOM 575 NH2 ARG A 41 -15.386 0.963 3.518 1.00 0.00 N ATOM 0 H ARG A 41 -9.178 1.136 3.334 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.796 -0.915 5.398 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.169 -0.255 3.609 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.171 -1.413 4.924 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -10.546 0.527 6.475 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -10.871 1.600 5.127 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -12.879 -0.412 6.219 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -12.819 1.271 6.705 1.00 0.00 H new ATOM 0 HE ARG A 41 -13.005 1.508 3.989 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -14.774 -0.415 6.363 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -16.273 -0.402 5.428 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -14.933 1.521 2.794 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -16.363 0.689 3.414 1.00 0.00 H new ATOM 589 N LYS A 42 -9.538 -2.937 3.686 1.00 0.00 N ATOM 590 CA LYS A 42 -9.344 -4.096 2.822 1.00 0.00 C ATOM 591 C LYS A 42 -10.375 -5.179 3.124 1.00 0.00 C ATOM 592 O LYS A 42 -10.516 -5.613 4.266 1.00 0.00 O ATOM 593 CB LYS A 42 -7.931 -4.658 2.998 1.00 0.00 C ATOM 594 CG LYS A 42 -7.472 -5.522 1.836 1.00 0.00 C ATOM 595 CD LYS A 42 -6.491 -6.590 2.289 1.00 0.00 C ATOM 596 CE LYS A 42 -6.575 -7.831 1.414 1.00 0.00 C ATOM 597 NZ LYS A 42 -5.597 -8.873 1.833 1.00 0.00 N ATOM 0 H LYS A 42 -10.169 -3.098 4.471 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.474 -3.774 1.789 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.233 -3.830 3.123 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.895 -5.247 3.915 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.336 -5.995 1.369 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.004 -4.895 1.078 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.477 -6.191 2.259 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.697 -6.859 3.325 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.584 -8.240 1.461 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.390 -7.556 0.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.754 -9.739 1.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.630 -8.528 1.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.723 -9.081 2.844 1.00 0.00 H new ATOM 611 N GLY A 43 -11.092 -5.611 2.092 1.00 0.00 N ATOM 612 CA GLY A 43 -12.100 -6.641 2.268 1.00 0.00 C ATOM 613 C GLY A 43 -12.853 -6.497 3.576 1.00 0.00 C ATOM 614 O GLY A 43 -13.104 -7.484 4.267 1.00 0.00 O ATOM 0 H GLY A 43 -10.993 -5.267 1.137 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -12.806 -6.599 1.439 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.624 -7.621 2.232 1.00 0.00 H new ATOM 618 N SER A 44 -13.214 -5.264 3.916 1.00 0.00 N ATOM 619 CA SER A 44 -13.938 -4.994 5.153 1.00 0.00 C ATOM 620 C SER A 44 -13.008 -5.087 6.359 1.00 0.00 C ATOM 621 O SER A 44 -13.339 -5.715 7.363 1.00 0.00 O ATOM 622 CB SER A 44 -15.100 -5.976 5.313 1.00 0.00 C ATOM 623 OG SER A 44 -16.045 -5.499 6.255 1.00 0.00 O ATOM 0 H SER A 44 -13.017 -4.437 3.353 1.00 0.00 H new ATOM 0 HA SER A 44 -14.334 -3.980 5.099 1.00 0.00 H new ATOM 0 HB2 SER A 44 -15.587 -6.128 4.350 1.00 0.00 H new ATOM 0 HB3 SER A 44 -14.719 -6.946 5.634 1.00 0.00 H new ATOM 0 HG SER A 44 -15.601 -5.348 7.116 1.00 0.00 H new ATOM 629 N GLU A 45 -11.843 -4.456 6.250 1.00 0.00 N ATOM 630 CA GLU A 45 -10.864 -4.469 7.331 1.00 0.00 C ATOM 631 C GLU A 45 -9.994 -3.216 7.291 1.00 0.00 C ATOM 632 O GLU A 45 -9.491 -2.828 6.235 1.00 0.00 O ATOM 633 CB GLU A 45 -9.985 -5.717 7.238 1.00 0.00 C ATOM 634 CG GLU A 45 -8.703 -5.502 6.452 1.00 0.00 C ATOM 635 CD GLU A 45 -8.086 -6.803 5.975 1.00 0.00 C ATOM 636 OE1 GLU A 45 -8.820 -7.633 5.399 1.00 0.00 O ATOM 637 OE2 GLU A 45 -6.868 -6.990 6.178 1.00 0.00 O ATOM 0 H GLU A 45 -11.554 -3.930 5.425 1.00 0.00 H new ATOM 0 HA GLU A 45 -11.405 -4.485 8.277 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.732 -6.049 8.245 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.557 -6.520 6.772 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.911 -4.866 5.592 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.984 -4.970 7.075 1.00 0.00 H new ATOM 644 N THR A 46 -9.819 -2.586 8.449 1.00 0.00 N ATOM 645 CA THR A 46 -9.011 -1.377 8.547 1.00 0.00 C ATOM 646 C THR A 46 -7.528 -1.714 8.642 1.00 0.00 C ATOM 647 O THR A 46 -7.094 -2.403 9.566 1.00 0.00 O ATOM 648 CB THR A 46 -9.413 -0.531 9.770 1.00 0.00 C ATOM 649 OG1 THR A 46 -10.770 -0.091 9.636 1.00 0.00 O ATOM 650 CG2 THR A 46 -8.497 0.674 9.919 1.00 0.00 C ATOM 0 H THR A 46 -10.226 -2.894 9.332 1.00 0.00 H new ATOM 0 HA THR A 46 -9.193 -0.800 7.640 1.00 0.00 H new ATOM 0 HB THR A 46 -9.318 -1.152 10.661 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.019 0.445 10.418 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.800 1.256 10.789 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.469 0.336 10.049 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.564 1.295 9.026 1.00 0.00 H new ATOM 658 N LEU A 47 -6.752 -1.223 7.681 1.00 0.00 N ATOM 659 CA LEU A 47 -5.315 -1.471 7.656 1.00 0.00 C ATOM 660 C LEU A 47 -4.565 -0.408 8.453 1.00 0.00 C ATOM 661 O LEU A 47 -5.110 0.654 8.756 1.00 0.00 O ATOM 662 CB LEU A 47 -4.806 -1.497 6.214 1.00 0.00 C ATOM 663 CG LEU A 47 -5.681 -2.246 5.207 1.00 0.00 C ATOM 664 CD1 LEU A 47 -5.254 -1.921 3.784 1.00 0.00 C ATOM 665 CD2 LEU A 47 -5.615 -3.745 5.456 1.00 0.00 C ATOM 0 H LEU A 47 -7.094 -0.651 6.909 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.131 -2.442 8.117 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.692 -0.469 5.872 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.813 -1.947 6.208 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.713 -1.921 5.338 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.887 -2.463 3.081 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.353 -0.850 3.610 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.215 -2.218 3.639 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.243 -4.262 4.731 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.585 -4.086 5.352 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.970 -3.962 6.464 1.00 0.00 H new ATOM 677 N ARG A 48 -3.313 -0.700 8.787 1.00 0.00 N ATOM 678 CA ARG A 48 -2.488 0.231 9.548 1.00 0.00 C ATOM 679 C ARG A 48 -1.077 0.304 8.970 1.00 0.00 C ATOM 680 O ARG A 48 -0.552 -0.686 8.460 1.00 0.00 O ATOM 681 CB ARG A 48 -2.428 -0.190 11.017 1.00 0.00 C ATOM 682 CG ARG A 48 -3.748 -0.026 11.752 1.00 0.00 C ATOM 683 CD ARG A 48 -4.090 1.441 11.962 1.00 0.00 C ATOM 684 NE ARG A 48 -5.294 1.612 12.769 1.00 0.00 N ATOM 685 CZ ARG A 48 -5.951 2.762 12.875 1.00 0.00 C ATOM 686 NH1 ARG A 48 -5.522 3.836 12.227 1.00 0.00 N ATOM 687 NH2 ARG A 48 -7.040 2.839 13.630 1.00 0.00 N ATOM 0 H ARG A 48 -2.847 -1.574 8.543 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.942 1.220 9.479 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -2.117 -1.233 11.075 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.664 0.399 11.524 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.544 -0.509 11.185 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -3.693 -0.530 12.717 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.253 1.942 12.449 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -4.231 1.922 10.994 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.651 0.804 13.280 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.686 3.781 11.645 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -6.028 4.718 12.310 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -7.373 2.015 14.130 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -7.543 3.722 13.710 1.00 0.00 H new ATOM 701 N ASP A 49 -0.470 1.482 9.054 1.00 0.00 N ATOM 702 CA ASP A 49 0.880 1.685 8.541 1.00 0.00 C ATOM 703 C ASP A 49 1.902 0.934 9.389 1.00 0.00 C ATOM 704 O ASP A 49 1.914 1.051 10.613 1.00 0.00 O ATOM 705 CB ASP A 49 1.219 3.176 8.512 1.00 0.00 C ATOM 706 CG ASP A 49 1.842 3.653 9.809 1.00 0.00 C ATOM 707 OD1 ASP A 49 3.034 3.360 10.038 1.00 0.00 O ATOM 708 OD2 ASP A 49 1.137 4.320 10.596 1.00 0.00 O ATOM 0 H ASP A 49 -0.891 2.311 9.473 1.00 0.00 H new ATOM 0 HA ASP A 49 0.919 1.292 7.525 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.905 3.374 7.688 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.312 3.748 8.316 1.00 0.00 H new ATOM 713 N GLY A 50 2.760 0.162 8.728 1.00 0.00 N ATOM 714 CA GLY A 50 3.773 -0.597 9.437 1.00 0.00 C ATOM 715 C GLY A 50 4.922 -1.011 8.539 1.00 0.00 C ATOM 716 O GLY A 50 5.371 -0.234 7.696 1.00 0.00 O ATOM 0 H GLY A 50 2.771 0.049 7.714 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.159 0.001 10.263 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.318 -1.486 9.873 1.00 0.00 H new ATOM 720 N ASP A 51 5.400 -2.237 8.719 1.00 0.00 N ATOM 721 CA ASP A 51 6.504 -2.753 7.919 1.00 0.00 C ATOM 722 C ASP A 51 6.041 -3.087 6.505 1.00 0.00 C ATOM 723 O ASP A 51 6.601 -2.596 5.525 1.00 0.00 O ATOM 724 CB ASP A 51 7.105 -3.995 8.580 1.00 0.00 C ATOM 725 CG ASP A 51 8.580 -4.160 8.270 1.00 0.00 C ATOM 726 OD1 ASP A 51 8.907 -4.544 7.127 1.00 0.00 O ATOM 727 OD2 ASP A 51 9.406 -3.903 9.170 1.00 0.00 O ATOM 0 H ASP A 51 5.040 -2.892 9.413 1.00 0.00 H new ATOM 0 HA ASP A 51 7.269 -1.978 7.858 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.969 -3.930 9.660 1.00 0.00 H new ATOM 0 HB3 ASP A 51 6.565 -4.880 8.243 1.00 0.00 H new ATOM 732 N ARG A 52 5.015 -3.927 6.407 1.00 0.00 N ATOM 733 CA ARG A 52 4.478 -4.329 5.112 1.00 0.00 C ATOM 734 C ARG A 52 3.648 -3.207 4.496 1.00 0.00 C ATOM 735 O ARG A 52 3.743 -2.936 3.299 1.00 0.00 O ATOM 736 CB ARG A 52 3.623 -5.589 5.260 1.00 0.00 C ATOM 737 CG ARG A 52 4.436 -6.853 5.490 1.00 0.00 C ATOM 738 CD ARG A 52 3.699 -8.087 4.992 1.00 0.00 C ATOM 739 NE ARG A 52 4.237 -9.316 5.569 1.00 0.00 N ATOM 740 CZ ARG A 52 4.098 -10.513 5.010 1.00 0.00 C ATOM 741 NH1 ARG A 52 3.441 -10.641 3.865 1.00 0.00 N ATOM 742 NH2 ARG A 52 4.616 -11.584 5.597 1.00 0.00 N ATOM 0 H ARG A 52 4.539 -4.342 7.208 1.00 0.00 H new ATOM 0 HA ARG A 52 5.316 -4.543 4.449 1.00 0.00 H new ATOM 0 HB2 ARG A 52 2.933 -5.454 6.093 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.018 -5.715 4.362 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.395 -6.769 4.978 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.651 -6.960 6.553 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.641 -8.002 5.241 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.768 -8.136 3.905 1.00 0.00 H new ATOM 0 HE ARG A 52 4.748 -9.252 6.450 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.041 -9.819 3.412 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.336 -11.561 3.438 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.121 -11.489 6.478 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.509 -12.503 5.167 1.00 0.00 H new ATOM 756 N TYR A 53 2.833 -2.559 5.322 1.00 0.00 N ATOM 757 CA TYR A 53 1.984 -1.469 4.858 1.00 0.00 C ATOM 758 C TYR A 53 2.659 -0.119 5.082 1.00 0.00 C ATOM 759 O TYR A 53 3.441 0.048 6.017 1.00 0.00 O ATOM 760 CB TYR A 53 0.635 -1.503 5.579 1.00 0.00 C ATOM 761 CG TYR A 53 -0.224 -2.689 5.200 1.00 0.00 C ATOM 762 CD1 TYR A 53 -0.960 -2.690 4.022 1.00 0.00 C ATOM 763 CD2 TYR A 53 -0.299 -3.807 6.021 1.00 0.00 C ATOM 764 CE1 TYR A 53 -1.747 -3.771 3.673 1.00 0.00 C ATOM 765 CE2 TYR A 53 -1.082 -4.893 5.679 1.00 0.00 C ATOM 766 CZ TYR A 53 -1.804 -4.870 4.504 1.00 0.00 C ATOM 767 OH TYR A 53 -2.586 -5.949 4.160 1.00 0.00 O ATOM 0 H TYR A 53 2.743 -2.770 6.316 1.00 0.00 H new ATOM 0 HA TYR A 53 1.820 -1.600 3.788 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.808 -1.519 6.655 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.091 -0.585 5.357 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.916 -1.832 3.368 1.00 0.00 H new ATOM 0 HD2 TYR A 53 0.264 -3.828 6.942 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.314 -3.755 2.754 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.128 -5.755 6.328 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.514 -6.639 4.852 1.00 0.00 H new ATOM 777 N SER A 54 2.349 0.841 4.217 1.00 0.00 N ATOM 778 CA SER A 54 2.926 2.176 4.317 1.00 0.00 C ATOM 779 C SER A 54 1.925 3.236 3.870 1.00 0.00 C ATOM 780 O SER A 54 1.670 3.402 2.676 1.00 0.00 O ATOM 781 CB SER A 54 4.197 2.269 3.470 1.00 0.00 C ATOM 782 OG SER A 54 4.908 1.043 3.479 1.00 0.00 O ATOM 0 H SER A 54 1.701 0.719 3.439 1.00 0.00 H new ATOM 0 HA SER A 54 3.179 2.358 5.361 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.936 2.534 2.445 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.835 3.066 3.853 1.00 0.00 H new ATOM 0 HG SER A 54 5.715 1.129 2.929 1.00 0.00 H new ATOM 788 N LEU A 55 1.360 3.952 4.836 1.00 0.00 N ATOM 789 CA LEU A 55 0.385 4.997 4.544 1.00 0.00 C ATOM 790 C LEU A 55 1.044 6.373 4.550 1.00 0.00 C ATOM 791 O LEU A 55 1.356 6.918 5.608 1.00 0.00 O ATOM 792 CB LEU A 55 -0.753 4.960 5.565 1.00 0.00 C ATOM 793 CG LEU A 55 -1.663 3.732 5.512 1.00 0.00 C ATOM 794 CD1 LEU A 55 -0.877 2.472 5.841 1.00 0.00 C ATOM 795 CD2 LEU A 55 -2.836 3.896 6.466 1.00 0.00 C ATOM 0 H LEU A 55 1.560 3.828 5.828 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.021 4.813 3.549 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.321 5.024 6.564 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.368 5.849 5.426 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.056 3.637 4.500 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.540 1.608 5.799 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.071 2.347 5.118 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.456 2.557 6.843 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.473 3.013 6.415 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.464 4.016 7.483 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.414 4.776 6.184 1.00 0.00 H new ATOM 807 N ARG A 56 1.251 6.929 3.361 1.00 0.00 N ATOM 808 CA ARG A 56 1.872 8.242 3.229 1.00 0.00 C ATOM 809 C ARG A 56 0.837 9.297 2.852 1.00 0.00 C ATOM 810 O ARG A 56 -0.342 8.989 2.679 1.00 0.00 O ATOM 811 CB ARG A 56 2.981 8.201 2.176 1.00 0.00 C ATOM 812 CG ARG A 56 3.961 7.055 2.368 1.00 0.00 C ATOM 813 CD ARG A 56 4.948 7.347 3.487 1.00 0.00 C ATOM 814 NE ARG A 56 5.616 8.633 3.306 1.00 0.00 N ATOM 815 CZ ARG A 56 6.398 9.191 4.223 1.00 0.00 C ATOM 816 NH1 ARG A 56 6.609 8.579 5.380 1.00 0.00 N ATOM 817 NH2 ARG A 56 6.971 10.364 3.984 1.00 0.00 N ATOM 0 H ARG A 56 0.998 6.491 2.475 1.00 0.00 H new ATOM 0 HA ARG A 56 2.305 8.510 4.193 1.00 0.00 H new ATOM 0 HB2 ARG A 56 2.529 8.120 1.187 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.528 9.144 2.200 1.00 0.00 H new ATOM 0 HG2 ARG A 56 3.413 6.140 2.594 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.504 6.880 1.439 1.00 0.00 H new ATOM 0 HD2 ARG A 56 4.424 7.342 4.443 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.694 6.554 3.528 1.00 0.00 H new ATOM 0 HE ARG A 56 5.474 9.130 2.427 1.00 0.00 H new ATOM 0 HH11 ARG A 56 6.170 7.677 5.568 1.00 0.00 H new ATOM 0 HH12 ARG A 56 7.210 9.010 6.083 1.00 0.00 H new ATOM 0 HH21 ARG A 56 6.811 10.838 3.095 1.00 0.00 H new ATOM 0 HH22 ARG A 56 7.571 10.791 4.689 1.00 0.00 H new ATOM 831 N GLN A 57 1.286 10.542 2.727 1.00 0.00 N ATOM 832 CA GLN A 57 0.398 11.642 2.372 1.00 0.00 C ATOM 833 C GLN A 57 1.185 12.935 2.176 1.00 0.00 C ATOM 834 O GLN A 57 2.155 13.197 2.887 1.00 0.00 O ATOM 835 CB GLN A 57 -0.665 11.838 3.455 1.00 0.00 C ATOM 836 CG GLN A 57 -1.714 12.877 3.096 1.00 0.00 C ATOM 837 CD GLN A 57 -2.567 13.278 4.283 1.00 0.00 C ATOM 838 OE1 GLN A 57 -2.061 13.796 5.280 1.00 0.00 O ATOM 839 NE2 GLN A 57 -3.870 13.041 4.184 1.00 0.00 N ATOM 0 H GLN A 57 2.259 10.814 2.866 1.00 0.00 H new ATOM 0 HA GLN A 57 -0.093 11.390 1.432 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -1.159 10.885 3.644 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.176 12.133 4.383 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.221 13.761 2.692 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.356 12.483 2.308 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.247 12.610 3.340 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -4.493 13.290 4.952 1.00 0.00 H new ATOM 848 N ASP A 58 0.760 13.738 1.207 1.00 0.00 N ATOM 849 CA ASP A 58 1.424 15.004 0.917 1.00 0.00 C ATOM 850 C ASP A 58 0.405 16.127 0.752 1.00 0.00 C ATOM 851 O ASP A 58 0.157 16.596 -0.358 1.00 0.00 O ATOM 852 CB ASP A 58 2.274 14.880 -0.348 1.00 0.00 C ATOM 853 CG ASP A 58 3.480 15.799 -0.327 1.00 0.00 C ATOM 854 OD1 ASP A 58 4.523 15.397 0.232 1.00 0.00 O ATOM 855 OD2 ASP A 58 3.382 16.919 -0.870 1.00 0.00 O ATOM 0 H ASP A 58 -0.041 13.535 0.609 1.00 0.00 H new ATOM 0 HA ASP A 58 2.072 15.247 1.759 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.609 13.848 -0.458 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.660 15.110 -1.219 1.00 0.00 H new ATOM 860 N GLY A 59 -0.185 16.552 1.866 1.00 0.00 N ATOM 861 CA GLY A 59 -1.171 17.616 1.823 1.00 0.00 C ATOM 862 C GLY A 59 -2.579 17.093 1.618 1.00 0.00 C ATOM 863 O GLY A 59 -3.278 16.773 2.580 1.00 0.00 O ATOM 0 H GLY A 59 0.002 16.178 2.796 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.129 18.184 2.753 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.922 18.306 1.017 1.00 0.00 H new ATOM 867 N THR A 60 -2.999 17.006 0.359 1.00 0.00 N ATOM 868 CA THR A 60 -4.334 16.521 0.031 1.00 0.00 C ATOM 869 C THR A 60 -4.275 15.134 -0.599 1.00 0.00 C ATOM 870 O THR A 60 -5.246 14.377 -0.551 1.00 0.00 O ATOM 871 CB THR A 60 -5.058 17.479 -0.933 1.00 0.00 C ATOM 872 OG1 THR A 60 -4.151 17.940 -1.941 1.00 0.00 O ATOM 873 CG2 THR A 60 -5.635 18.669 -0.181 1.00 0.00 C ATOM 0 H THR A 60 -2.434 17.265 -0.450 1.00 0.00 H new ATOM 0 HA THR A 60 -4.891 16.469 0.967 1.00 0.00 H new ATOM 0 HB THR A 60 -5.876 16.934 -1.404 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.620 18.547 -2.550 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.142 19.332 -0.883 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.348 18.317 0.565 1.00 0.00 H new ATOM 0 HG23 THR A 60 -4.830 19.212 0.314 1.00 0.00 H new ATOM 881 N LYS A 61 -3.131 14.804 -1.188 1.00 0.00 N ATOM 882 CA LYS A 61 -2.944 13.507 -1.826 1.00 0.00 C ATOM 883 C LYS A 61 -2.527 12.453 -0.804 1.00 0.00 C ATOM 884 O LYS A 61 -1.867 12.764 0.188 1.00 0.00 O ATOM 885 CB LYS A 61 -1.890 13.606 -2.931 1.00 0.00 C ATOM 886 CG LYS A 61 -2.423 14.184 -4.230 1.00 0.00 C ATOM 887 CD LYS A 61 -1.485 13.902 -5.392 1.00 0.00 C ATOM 888 CE LYS A 61 -1.818 12.582 -6.070 1.00 0.00 C ATOM 889 NZ LYS A 61 -1.335 12.544 -7.478 1.00 0.00 N ATOM 0 H LYS A 61 -2.318 15.418 -1.237 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.895 13.206 -2.265 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.064 14.225 -2.580 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.484 12.613 -3.124 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.404 13.760 -4.442 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.557 15.260 -4.122 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.550 14.712 -6.118 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.456 13.878 -5.033 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.368 11.762 -5.510 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.897 12.426 -6.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.581 11.628 -7.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.783 13.310 -8.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.302 12.667 -7.494 1.00 0.00 H new ATOM 903 N CYS A 62 -2.916 11.208 -1.054 1.00 0.00 N ATOM 904 CA CYS A 62 -2.582 10.108 -0.156 1.00 0.00 C ATOM 905 C CYS A 62 -1.844 9.002 -0.902 1.00 0.00 C ATOM 906 O CYS A 62 -1.721 9.041 -2.126 1.00 0.00 O ATOM 907 CB CYS A 62 -3.849 9.547 0.490 1.00 0.00 C ATOM 908 SG CYS A 62 -4.899 10.798 1.266 1.00 0.00 S ATOM 0 H CYS A 62 -3.463 10.935 -1.871 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.926 10.495 0.624 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.429 9.022 -0.269 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.565 8.810 1.241 1.00 0.00 H new ATOM 0 HG CYS A 62 -6.025 10.880 0.622 1.00 0.00 H new ATOM 914 N GLU A 63 -1.353 8.017 -0.156 1.00 0.00 N ATOM 915 CA GLU A 63 -0.624 6.901 -0.747 1.00 0.00 C ATOM 916 C GLU A 63 -0.545 5.727 0.224 1.00 0.00 C ATOM 917 O GLU A 63 -0.317 5.910 1.420 1.00 0.00 O ATOM 918 CB GLU A 63 0.785 7.340 -1.151 1.00 0.00 C ATOM 919 CG GLU A 63 1.679 6.191 -1.584 1.00 0.00 C ATOM 920 CD GLU A 63 3.008 6.663 -2.141 1.00 0.00 C ATOM 921 OE1 GLU A 63 2.998 7.508 -3.061 1.00 0.00 O ATOM 922 OE2 GLU A 63 4.057 6.190 -1.658 1.00 0.00 O ATOM 0 H GLU A 63 -1.447 7.969 0.859 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.165 6.578 -1.637 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.712 8.060 -1.966 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.251 7.855 -0.311 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.859 5.535 -0.732 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.163 5.599 -2.339 1.00 0.00 H new ATOM 929 N LEU A 64 -0.735 4.521 -0.299 1.00 0.00 N ATOM 930 CA LEU A 64 -0.686 3.315 0.521 1.00 0.00 C ATOM 931 C LEU A 64 0.013 2.180 -0.220 1.00 0.00 C ATOM 932 O LEU A 64 -0.466 1.713 -1.253 1.00 0.00 O ATOM 933 CB LEU A 64 -2.100 2.885 0.917 1.00 0.00 C ATOM 934 CG LEU A 64 -2.213 1.554 1.660 1.00 0.00 C ATOM 935 CD1 LEU A 64 -2.394 0.408 0.677 1.00 0.00 C ATOM 936 CD2 LEU A 64 -0.988 1.324 2.532 1.00 0.00 C ATOM 0 H LEU A 64 -0.924 4.352 -1.287 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.116 3.542 1.422 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.534 3.665 1.542 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.707 2.827 0.013 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.090 1.593 2.306 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.473 -0.532 1.224 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.303 0.567 0.096 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.537 0.366 0.005 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.086 0.372 3.053 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.095 1.305 1.907 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.904 2.130 3.261 1.00 0.00 H new ATOM 948 N GLN A 65 1.148 1.741 0.315 1.00 0.00 N ATOM 949 CA GLN A 65 1.912 0.660 -0.296 1.00 0.00 C ATOM 950 C GLN A 65 1.666 -0.658 0.430 1.00 0.00 C ATOM 951 O GLN A 65 1.519 -0.686 1.652 1.00 0.00 O ATOM 952 CB GLN A 65 3.405 0.992 -0.283 1.00 0.00 C ATOM 953 CG GLN A 65 3.860 1.798 -1.489 1.00 0.00 C ATOM 954 CD GLN A 65 5.249 2.378 -1.314 1.00 0.00 C ATOM 955 OE1 GLN A 65 6.223 1.863 -1.864 1.00 0.00 O ATOM 956 NE2 GLN A 65 5.349 3.456 -0.545 1.00 0.00 N ATOM 0 H GLN A 65 1.558 2.117 1.170 1.00 0.00 H new ATOM 0 HA GLN A 65 1.580 0.552 -1.329 1.00 0.00 H new ATOM 0 HB2 GLN A 65 3.637 1.550 0.624 1.00 0.00 H new ATOM 0 HB3 GLN A 65 3.975 0.064 -0.241 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.845 1.161 -2.373 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.152 2.608 -1.668 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.516 3.850 -0.108 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.259 3.890 -0.391 1.00 0.00 H new ATOM 965 N ILE A 66 1.623 -1.747 -0.330 1.00 0.00 N ATOM 966 CA ILE A 66 1.395 -3.068 0.242 1.00 0.00 C ATOM 967 C ILE A 66 2.536 -4.020 -0.102 1.00 0.00 C ATOM 968 O ILE A 66 2.549 -4.628 -1.173 1.00 0.00 O ATOM 969 CB ILE A 66 0.069 -3.675 -0.252 1.00 0.00 C ATOM 970 CG1 ILE A 66 -1.098 -2.740 0.075 1.00 0.00 C ATOM 971 CG2 ILE A 66 -0.152 -5.045 0.372 1.00 0.00 C ATOM 972 CD1 ILE A 66 -2.310 -2.956 -0.805 1.00 0.00 C ATOM 0 H ILE A 66 1.743 -1.741 -1.343 1.00 0.00 H new ATOM 0 HA ILE A 66 1.345 -2.939 1.323 1.00 0.00 H new ATOM 0 HB ILE A 66 0.122 -3.795 -1.334 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.386 -2.882 1.117 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.765 -1.707 -0.026 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.093 -5.461 0.013 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.667 -5.708 0.094 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.188 -4.949 1.457 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.097 -2.260 -0.517 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.038 -2.786 -1.847 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.669 -3.978 -0.686 1.00 0.00 H new ATOM 984 N ARG A 67 3.490 -4.147 0.814 1.00 0.00 N ATOM 985 CA ARG A 67 4.635 -5.025 0.608 1.00 0.00 C ATOM 986 C ARG A 67 4.241 -6.487 0.800 1.00 0.00 C ATOM 987 O ARG A 67 3.739 -6.871 1.856 1.00 0.00 O ATOM 988 CB ARG A 67 5.766 -4.660 1.572 1.00 0.00 C ATOM 989 CG ARG A 67 6.730 -3.625 1.015 1.00 0.00 C ATOM 990 CD ARG A 67 7.915 -3.412 1.943 1.00 0.00 C ATOM 991 NE ARG A 67 9.021 -4.314 1.634 1.00 0.00 N ATOM 992 CZ ARG A 67 9.935 -4.065 0.702 1.00 0.00 C ATOM 993 NH1 ARG A 67 9.874 -2.946 -0.007 1.00 0.00 N ATOM 994 NH2 ARG A 67 10.911 -4.935 0.479 1.00 0.00 N ATOM 0 H ARG A 67 3.493 -3.653 1.706 1.00 0.00 H new ATOM 0 HA ARG A 67 4.983 -4.891 -0.416 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.334 -4.281 2.498 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.322 -5.563 1.825 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.086 -3.947 0.036 1.00 0.00 H new ATOM 0 HG3 ARG A 67 6.207 -2.680 0.869 1.00 0.00 H new ATOM 0 HD2 ARG A 67 8.256 -2.380 1.864 1.00 0.00 H new ATOM 0 HD3 ARG A 67 7.599 -3.566 2.975 1.00 0.00 H new ATOM 0 HE ARG A 67 9.096 -5.183 2.163 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.125 -2.275 0.163 1.00 0.00 H new ATOM 0 HH12 ARG A 67 10.576 -2.756 -0.722 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.961 -5.796 1.023 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.612 -4.743 -0.237 1.00 0.00 H new ATOM 1008 N GLY A 68 4.472 -7.297 -0.228 1.00 0.00 N ATOM 1009 CA GLY A 68 4.134 -8.707 -0.152 1.00 0.00 C ATOM 1010 C GLY A 68 2.853 -9.037 -0.893 1.00 0.00 C ATOM 1011 O GLY A 68 1.912 -9.577 -0.310 1.00 0.00 O ATOM 0 H GLY A 68 4.887 -7.003 -1.112 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.952 -9.296 -0.566 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.030 -8.997 0.894 1.00 0.00 H new ATOM 1015 N LEU A 69 2.815 -8.710 -2.180 1.00 0.00 N ATOM 1016 CA LEU A 69 1.639 -8.973 -3.002 1.00 0.00 C ATOM 1017 C LEU A 69 1.520 -10.460 -3.321 1.00 0.00 C ATOM 1018 O LEU A 69 2.366 -11.026 -4.013 1.00 0.00 O ATOM 1019 CB LEU A 69 1.707 -8.165 -4.298 1.00 0.00 C ATOM 1020 CG LEU A 69 1.388 -6.674 -4.178 1.00 0.00 C ATOM 1021 CD1 LEU A 69 1.641 -5.966 -5.499 1.00 0.00 C ATOM 1022 CD2 LEU A 69 -0.052 -6.472 -3.729 1.00 0.00 C ATOM 0 H LEU A 69 3.585 -8.262 -2.677 1.00 0.00 H new ATOM 0 HA LEU A 69 0.757 -8.669 -2.439 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.709 -8.269 -4.715 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.015 -8.607 -5.015 1.00 0.00 H new ATOM 0 HG LEU A 69 2.047 -6.240 -3.426 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.409 -4.906 -5.394 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.688 -6.082 -5.779 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.008 -6.402 -6.272 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.262 -5.405 -3.649 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.727 -6.921 -4.458 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.200 -6.945 -2.758 1.00 0.00 H new ATOM 1034 N ALA A 70 0.464 -11.086 -2.814 1.00 0.00 N ATOM 1035 CA ALA A 70 0.232 -12.506 -3.049 1.00 0.00 C ATOM 1036 C ALA A 70 -1.230 -12.774 -3.393 1.00 0.00 C ATOM 1037 O ALA A 70 -2.100 -11.942 -3.137 1.00 0.00 O ATOM 1038 CB ALA A 70 0.647 -13.318 -1.831 1.00 0.00 C ATOM 0 H ALA A 70 -0.245 -10.632 -2.238 1.00 0.00 H new ATOM 0 HA ALA A 70 0.840 -12.812 -3.900 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.468 -14.376 -2.021 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.707 -13.159 -1.632 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.064 -13.001 -0.966 1.00 0.00 H new ATOM 1044 N MET A 71 -1.492 -13.940 -3.975 1.00 0.00 N ATOM 1045 CA MET A 71 -2.849 -14.317 -4.353 1.00 0.00 C ATOM 1046 C MET A 71 -3.843 -13.935 -3.261 1.00 0.00 C ATOM 1047 O MET A 71 -4.937 -13.450 -3.548 1.00 0.00 O ATOM 1048 CB MET A 71 -2.926 -15.820 -4.627 1.00 0.00 C ATOM 1049 CG MET A 71 -2.179 -16.249 -5.879 1.00 0.00 C ATOM 1050 SD MET A 71 -3.216 -16.209 -7.354 1.00 0.00 S ATOM 1051 CE MET A 71 -2.903 -14.547 -7.943 1.00 0.00 C ATOM 0 H MET A 71 -0.783 -14.639 -4.195 1.00 0.00 H new ATOM 0 HA MET A 71 -3.110 -13.776 -5.262 1.00 0.00 H new ATOM 0 HB2 MET A 71 -2.521 -16.358 -3.770 1.00 0.00 H new ATOM 0 HB3 MET A 71 -3.972 -16.111 -4.721 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.319 -15.596 -6.026 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.792 -17.258 -5.739 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.821 -14.556 -9.030 1.00 0.00 H new ATOM 0 HE2 MET A 71 -3.724 -13.895 -7.646 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.973 -14.177 -7.512 1.00 0.00 H new ATOM 1061 N ALA A 72 -3.456 -14.158 -2.010 1.00 0.00 N ATOM 1062 CA ALA A 72 -4.313 -13.836 -0.876 1.00 0.00 C ATOM 1063 C ALA A 72 -4.616 -12.342 -0.824 1.00 0.00 C ATOM 1064 O ALA A 72 -5.755 -11.938 -0.588 1.00 0.00 O ATOM 1065 CB ALA A 72 -3.663 -14.290 0.423 1.00 0.00 C ATOM 0 H ALA A 72 -2.554 -14.561 -1.756 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.256 -14.368 -1.003 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.314 -14.043 1.261 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.503 -15.368 0.393 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.705 -13.785 0.547 1.00 0.00 H new ATOM 1071 N ASP A 73 -3.590 -11.527 -1.044 1.00 0.00 N ATOM 1072 CA ASP A 73 -3.747 -10.078 -1.022 1.00 0.00 C ATOM 1073 C ASP A 73 -4.798 -9.630 -2.033 1.00 0.00 C ATOM 1074 O ASP A 73 -5.464 -8.611 -1.843 1.00 0.00 O ATOM 1075 CB ASP A 73 -2.411 -9.394 -1.320 1.00 0.00 C ATOM 1076 CG ASP A 73 -1.339 -9.756 -0.311 1.00 0.00 C ATOM 1077 OD1 ASP A 73 -1.106 -10.964 -0.101 1.00 0.00 O ATOM 1078 OD2 ASP A 73 -0.733 -8.830 0.269 1.00 0.00 O ATOM 0 H ASP A 73 -2.641 -11.846 -1.240 1.00 0.00 H new ATOM 0 HA ASP A 73 -4.080 -9.789 -0.025 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.076 -9.676 -2.318 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.552 -8.313 -1.324 1.00 0.00 H new ATOM 1083 N THR A 74 -4.941 -10.396 -3.110 1.00 0.00 N ATOM 1084 CA THR A 74 -5.908 -10.078 -4.152 1.00 0.00 C ATOM 1085 C THR A 74 -7.300 -9.872 -3.566 1.00 0.00 C ATOM 1086 O THR A 74 -7.976 -10.830 -3.195 1.00 0.00 O ATOM 1087 CB THR A 74 -5.972 -11.188 -5.218 1.00 0.00 C ATOM 1088 OG1 THR A 74 -4.666 -11.429 -5.753 1.00 0.00 O ATOM 1089 CG2 THR A 74 -6.923 -10.805 -6.342 1.00 0.00 C ATOM 0 H THR A 74 -4.398 -11.242 -3.283 1.00 0.00 H new ATOM 0 HA THR A 74 -5.573 -9.153 -4.621 1.00 0.00 H new ATOM 0 HB THR A 74 -6.343 -12.096 -4.743 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.715 -12.137 -6.429 1.00 0.00 H new ATOM 0 HG21 THR A 74 -6.952 -11.604 -7.083 1.00 0.00 H new ATOM 0 HG22 THR A 74 -7.923 -10.651 -5.936 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.577 -9.885 -6.814 1.00 0.00 H new ATOM 1097 N GLY A 75 -7.724 -8.614 -3.485 1.00 0.00 N ATOM 1098 CA GLY A 75 -9.034 -8.305 -2.943 1.00 0.00 C ATOM 1099 C GLY A 75 -9.511 -6.920 -3.333 1.00 0.00 C ATOM 1100 O GLY A 75 -9.348 -6.500 -4.478 1.00 0.00 O ATOM 0 H GLY A 75 -7.183 -7.803 -3.785 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.753 -9.046 -3.294 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.002 -8.382 -1.856 1.00 0.00 H new ATOM 1104 N GLU A 76 -10.104 -6.210 -2.379 1.00 0.00 N ATOM 1105 CA GLU A 76 -10.608 -4.865 -2.630 1.00 0.00 C ATOM 1106 C GLU A 76 -10.196 -3.911 -1.512 1.00 0.00 C ATOM 1107 O GLU A 76 -10.343 -4.223 -0.330 1.00 0.00 O ATOM 1108 CB GLU A 76 -12.133 -4.884 -2.762 1.00 0.00 C ATOM 1109 CG GLU A 76 -12.754 -3.501 -2.851 1.00 0.00 C ATOM 1110 CD GLU A 76 -14.211 -3.541 -3.269 1.00 0.00 C ATOM 1111 OE1 GLU A 76 -14.895 -4.534 -2.946 1.00 0.00 O ATOM 1112 OE2 GLU A 76 -14.667 -2.578 -3.920 1.00 0.00 O ATOM 0 H GLU A 76 -10.247 -6.543 -1.426 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.173 -4.511 -3.565 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -12.405 -5.453 -3.651 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -12.557 -5.409 -1.906 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -12.671 -3.007 -1.883 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -12.191 -2.900 -3.565 1.00 0.00 H new ATOM 1119 N TYR A 77 -9.679 -2.749 -1.895 1.00 0.00 N ATOM 1120 CA TYR A 77 -9.243 -1.751 -0.926 1.00 0.00 C ATOM 1121 C TYR A 77 -10.087 -0.484 -1.031 1.00 0.00 C ATOM 1122 O TYR A 77 -10.439 -0.048 -2.127 1.00 0.00 O ATOM 1123 CB TYR A 77 -7.766 -1.412 -1.141 1.00 0.00 C ATOM 1124 CG TYR A 77 -6.834 -2.573 -0.876 1.00 0.00 C ATOM 1125 CD1 TYR A 77 -6.820 -3.683 -1.711 1.00 0.00 C ATOM 1126 CD2 TYR A 77 -5.969 -2.560 0.211 1.00 0.00 C ATOM 1127 CE1 TYR A 77 -5.971 -4.746 -1.472 1.00 0.00 C ATOM 1128 CE2 TYR A 77 -5.115 -3.618 0.457 1.00 0.00 C ATOM 1129 CZ TYR A 77 -5.120 -4.709 -0.388 1.00 0.00 C ATOM 1130 OH TYR A 77 -4.272 -5.765 -0.145 1.00 0.00 O ATOM 0 H TYR A 77 -9.552 -2.475 -2.869 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.372 -2.170 0.072 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.626 -1.071 -2.167 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.494 -0.582 -0.489 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -7.484 -3.715 -2.562 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.964 -1.708 0.875 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -5.974 -5.602 -2.131 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -4.448 -3.591 1.306 1.00 0.00 H new ATOM 0 HH TYR A 77 -3.739 -5.579 0.656 1.00 0.00 H new ATOM 1140 N SER A 78 -10.407 0.102 0.118 1.00 0.00 N ATOM 1141 CA SER A 78 -11.212 1.318 0.157 1.00 0.00 C ATOM 1142 C SER A 78 -10.593 2.349 1.095 1.00 0.00 C ATOM 1143 O SER A 78 -10.329 2.062 2.263 1.00 0.00 O ATOM 1144 CB SER A 78 -12.639 0.995 0.605 1.00 0.00 C ATOM 1145 OG SER A 78 -13.150 -0.129 -0.090 1.00 0.00 O ATOM 0 H SER A 78 -10.122 -0.245 1.034 1.00 0.00 H new ATOM 0 HA SER A 78 -11.241 1.739 -0.848 1.00 0.00 H new ATOM 0 HB2 SER A 78 -12.651 0.800 1.677 1.00 0.00 H new ATOM 0 HB3 SER A 78 -13.282 1.858 0.431 1.00 0.00 H new ATOM 0 HG SER A 78 -14.062 -0.316 0.216 1.00 0.00 H new ATOM 1151 N CYS A 79 -10.365 3.550 0.576 1.00 0.00 N ATOM 1152 CA CYS A 79 -9.777 4.626 1.366 1.00 0.00 C ATOM 1153 C CYS A 79 -10.860 5.521 1.958 1.00 0.00 C ATOM 1154 O CYS A 79 -11.568 6.220 1.233 1.00 0.00 O ATOM 1155 CB CYS A 79 -8.826 5.458 0.504 1.00 0.00 C ATOM 1156 SG CYS A 79 -7.693 6.501 1.451 1.00 0.00 S ATOM 0 H CYS A 79 -10.578 3.803 -0.389 1.00 0.00 H new ATOM 0 HA CYS A 79 -9.215 4.177 2.185 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -8.243 4.787 -0.127 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -9.415 6.090 -0.161 1.00 0.00 H new ATOM 0 HG CYS A 79 -6.482 6.044 1.333 1.00 0.00 H new ATOM 1162 N VAL A 80 -10.985 5.494 3.281 1.00 0.00 N ATOM 1163 CA VAL A 80 -11.983 6.302 3.972 1.00 0.00 C ATOM 1164 C VAL A 80 -11.351 7.544 4.592 1.00 0.00 C ATOM 1165 O VAL A 80 -10.312 7.462 5.248 1.00 0.00 O ATOM 1166 CB VAL A 80 -12.692 5.495 5.076 1.00 0.00 C ATOM 1167 CG1 VAL A 80 -14.059 6.091 5.378 1.00 0.00 C ATOM 1168 CG2 VAL A 80 -12.817 4.034 4.671 1.00 0.00 C ATOM 0 H VAL A 80 -10.407 4.921 3.896 1.00 0.00 H new ATOM 0 HA VAL A 80 -12.717 6.605 3.225 1.00 0.00 H new ATOM 0 HB VAL A 80 -12.090 5.547 5.983 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -14.545 5.508 6.160 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -13.941 7.121 5.714 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -14.672 6.071 4.477 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.320 3.479 5.463 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -13.397 3.960 3.751 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -11.824 3.615 4.509 1.00 0.00 H new ATOM 1178 N CYS A 81 -11.984 8.692 4.379 1.00 0.00 N ATOM 1179 CA CYS A 81 -11.484 9.952 4.917 1.00 0.00 C ATOM 1180 C CYS A 81 -12.519 10.603 5.828 1.00 0.00 C ATOM 1181 O CYS A 81 -12.560 11.825 5.964 1.00 0.00 O ATOM 1182 CB CYS A 81 -11.116 10.905 3.779 1.00 0.00 C ATOM 1183 SG CYS A 81 -12.538 11.556 2.872 1.00 0.00 S ATOM 0 H CYS A 81 -12.844 8.776 3.838 1.00 0.00 H new ATOM 0 HA CYS A 81 -10.592 9.739 5.506 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -10.547 11.740 4.188 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -10.461 10.384 3.081 1.00 0.00 H new ATOM 0 HG CYS A 81 -12.772 10.807 1.836 1.00 0.00 H new ATOM 1189 N GLY A 82 -13.357 9.778 6.449 1.00 0.00 N ATOM 1190 CA GLY A 82 -14.382 10.292 7.338 1.00 0.00 C ATOM 1191 C GLY A 82 -15.774 9.844 6.938 1.00 0.00 C ATOM 1192 O GLY A 82 -16.301 8.876 7.485 1.00 0.00 O ATOM 0 H GLY A 82 -13.344 8.763 6.352 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -14.175 9.961 8.356 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.342 11.381 7.343 1.00 0.00 H new ATOM 1196 N GLN A 83 -16.370 10.550 5.983 1.00 0.00 N ATOM 1197 CA GLN A 83 -17.710 10.221 5.512 1.00 0.00 C ATOM 1198 C GLN A 83 -17.654 9.503 4.168 1.00 0.00 C ATOM 1199 O GLN A 83 -18.297 8.471 3.978 1.00 0.00 O ATOM 1200 CB GLN A 83 -18.557 11.488 5.392 1.00 0.00 C ATOM 1201 CG GLN A 83 -18.712 12.244 6.702 1.00 0.00 C ATOM 1202 CD GLN A 83 -19.895 11.761 7.518 1.00 0.00 C ATOM 1203 OE1 GLN A 83 -19.760 10.882 8.369 1.00 0.00 O ATOM 1204 NE2 GLN A 83 -21.065 12.336 7.261 1.00 0.00 N ATOM 0 H GLN A 83 -15.946 11.354 5.520 1.00 0.00 H new ATOM 0 HA GLN A 83 -18.170 9.553 6.241 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -18.104 12.149 4.653 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -19.545 11.220 5.018 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -17.801 12.135 7.290 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -18.830 13.307 6.492 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -21.131 13.061 6.547 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -21.897 12.052 7.778 1.00 0.00 H new ATOM 1213 N GLU A 84 -16.880 10.056 3.239 1.00 0.00 N ATOM 1214 CA GLU A 84 -16.742 9.468 1.912 1.00 0.00 C ATOM 1215 C GLU A 84 -15.537 8.533 1.854 1.00 0.00 C ATOM 1216 O GLU A 84 -14.715 8.505 2.770 1.00 0.00 O ATOM 1217 CB GLU A 84 -16.600 10.566 0.856 1.00 0.00 C ATOM 1218 CG GLU A 84 -17.642 11.665 0.977 1.00 0.00 C ATOM 1219 CD GLU A 84 -17.198 12.792 1.888 1.00 0.00 C ATOM 1220 OE1 GLU A 84 -16.308 12.557 2.732 1.00 0.00 O ATOM 1221 OE2 GLU A 84 -17.740 13.910 1.757 1.00 0.00 O ATOM 0 H GLU A 84 -16.340 10.909 3.381 1.00 0.00 H new ATOM 0 HA GLU A 84 -17.641 8.888 1.704 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.607 11.008 0.935 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -16.671 10.117 -0.135 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.858 12.067 -0.013 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -18.571 11.240 1.358 1.00 0.00 H new ATOM 1228 N ARG A 85 -15.441 7.767 0.772 1.00 0.00 N ATOM 1229 CA ARG A 85 -14.339 6.829 0.595 1.00 0.00 C ATOM 1230 C ARG A 85 -14.293 6.310 -0.839 1.00 0.00 C ATOM 1231 O ARG A 85 -15.286 6.368 -1.566 1.00 0.00 O ATOM 1232 CB ARG A 85 -14.477 5.658 1.569 1.00 0.00 C ATOM 1233 CG ARG A 85 -15.273 4.491 1.009 1.00 0.00 C ATOM 1234 CD ARG A 85 -16.003 3.736 2.108 1.00 0.00 C ATOM 1235 NE ARG A 85 -16.975 4.579 2.799 1.00 0.00 N ATOM 1236 CZ ARG A 85 -18.033 4.102 3.447 1.00 0.00 C ATOM 1237 NH1 ARG A 85 -18.252 2.796 3.493 1.00 0.00 N ATOM 1238 NH2 ARG A 85 -18.872 4.933 4.051 1.00 0.00 N ATOM 0 H ARG A 85 -16.113 7.778 0.005 1.00 0.00 H new ATOM 0 HA ARG A 85 -13.408 7.357 0.802 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -13.483 5.309 1.847 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -14.958 6.010 2.482 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -15.993 4.858 0.278 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -14.603 3.811 0.483 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -16.512 2.873 1.678 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -15.279 3.353 2.827 1.00 0.00 H new ATOM 0 HE ARG A 85 -16.834 5.589 2.783 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -17.608 2.154 3.031 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -19.065 2.432 3.991 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -18.706 5.939 4.018 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -19.684 4.566 4.548 1.00 0.00 H new ATOM 1252 N THR A 86 -13.132 5.802 -1.242 1.00 0.00 N ATOM 1253 CA THR A 86 -12.955 5.274 -2.589 1.00 0.00 C ATOM 1254 C THR A 86 -12.774 3.760 -2.567 1.00 0.00 C ATOM 1255 O THR A 86 -12.812 3.137 -1.506 1.00 0.00 O ATOM 1256 CB THR A 86 -11.741 5.914 -3.288 1.00 0.00 C ATOM 1257 OG1 THR A 86 -11.582 5.360 -4.599 1.00 0.00 O ATOM 1258 CG2 THR A 86 -10.472 5.692 -2.480 1.00 0.00 C ATOM 0 H THR A 86 -12.300 5.745 -0.654 1.00 0.00 H new ATOM 0 HA THR A 86 -13.858 5.521 -3.146 1.00 0.00 H new ATOM 0 HB THR A 86 -11.919 6.986 -3.367 1.00 0.00 H new ATOM 0 HG1 THR A 86 -10.964 5.917 -5.117 1.00 0.00 H new ATOM 0 HG21 THR A 86 -9.628 6.153 -2.994 1.00 0.00 H new ATOM 0 HG22 THR A 86 -10.586 6.141 -1.493 1.00 0.00 H new ATOM 0 HG23 THR A 86 -10.291 4.622 -2.373 1.00 0.00 H new ATOM 1266 N SER A 87 -12.578 3.175 -3.744 1.00 0.00 N ATOM 1267 CA SER A 87 -12.394 1.733 -3.859 1.00 0.00 C ATOM 1268 C SER A 87 -11.652 1.381 -5.145 1.00 0.00 C ATOM 1269 O SER A 87 -11.797 2.058 -6.163 1.00 0.00 O ATOM 1270 CB SER A 87 -13.748 1.021 -3.827 1.00 0.00 C ATOM 1271 OG SER A 87 -14.773 1.851 -4.345 1.00 0.00 O ATOM 0 H SER A 87 -12.543 3.677 -4.631 1.00 0.00 H new ATOM 0 HA SER A 87 -11.795 1.399 -3.012 1.00 0.00 H new ATOM 0 HB2 SER A 87 -13.692 0.101 -4.408 1.00 0.00 H new ATOM 0 HB3 SER A 87 -13.989 0.737 -2.803 1.00 0.00 H new ATOM 0 HG SER A 87 -15.628 1.373 -4.315 1.00 0.00 H new ATOM 1277 N ALA A 88 -10.857 0.318 -5.090 1.00 0.00 N ATOM 1278 CA ALA A 88 -10.094 -0.126 -6.250 1.00 0.00 C ATOM 1279 C ALA A 88 -9.619 -1.565 -6.076 1.00 0.00 C ATOM 1280 O ALA A 88 -8.750 -1.846 -5.251 1.00 0.00 O ATOM 1281 CB ALA A 88 -8.909 0.798 -6.487 1.00 0.00 C ATOM 0 H ALA A 88 -10.724 -0.252 -4.255 1.00 0.00 H new ATOM 0 HA ALA A 88 -10.749 -0.090 -7.121 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -8.348 0.455 -7.356 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -9.268 1.812 -6.664 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.261 0.790 -5.611 1.00 0.00 H new ATOM 1287 N MET A 89 -10.194 -2.472 -6.859 1.00 0.00 N ATOM 1288 CA MET A 89 -9.828 -3.882 -6.791 1.00 0.00 C ATOM 1289 C MET A 89 -8.355 -4.078 -7.136 1.00 0.00 C ATOM 1290 O MET A 89 -7.882 -3.611 -8.173 1.00 0.00 O ATOM 1291 CB MET A 89 -10.700 -4.703 -7.743 1.00 0.00 C ATOM 1292 CG MET A 89 -9.959 -5.851 -8.409 1.00 0.00 C ATOM 1293 SD MET A 89 -11.034 -7.250 -8.780 1.00 0.00 S ATOM 1294 CE MET A 89 -11.331 -7.895 -7.136 1.00 0.00 C ATOM 0 H MET A 89 -10.915 -2.256 -7.548 1.00 0.00 H new ATOM 0 HA MET A 89 -9.993 -4.226 -5.770 1.00 0.00 H new ATOM 0 HB2 MET A 89 -11.550 -5.102 -7.190 1.00 0.00 H new ATOM 0 HB3 MET A 89 -11.101 -4.045 -8.514 1.00 0.00 H new ATOM 0 HG2 MET A 89 -9.500 -5.496 -9.332 1.00 0.00 H new ATOM 0 HG3 MET A 89 -9.150 -6.182 -7.758 1.00 0.00 H new ATOM 0 HE1 MET A 89 -11.648 -8.936 -7.205 1.00 0.00 H new ATOM 0 HE2 MET A 89 -10.414 -7.833 -6.550 1.00 0.00 H new ATOM 0 HE3 MET A 89 -12.112 -7.309 -6.651 1.00 0.00 H new ATOM 1304 N LEU A 90 -7.635 -4.771 -6.260 1.00 0.00 N ATOM 1305 CA LEU A 90 -6.215 -5.029 -6.471 1.00 0.00 C ATOM 1306 C LEU A 90 -5.990 -6.445 -6.993 1.00 0.00 C ATOM 1307 O LEU A 90 -6.240 -7.424 -6.289 1.00 0.00 O ATOM 1308 CB LEU A 90 -5.440 -4.824 -5.169 1.00 0.00 C ATOM 1309 CG LEU A 90 -4.128 -5.599 -5.039 1.00 0.00 C ATOM 1310 CD1 LEU A 90 -3.187 -5.251 -6.182 1.00 0.00 C ATOM 1311 CD2 LEU A 90 -3.470 -5.312 -3.697 1.00 0.00 C ATOM 0 H LEU A 90 -8.011 -5.164 -5.397 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.850 -4.324 -7.218 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.223 -3.761 -5.062 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.087 -5.102 -4.337 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.351 -6.665 -5.091 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.259 -5.812 -6.073 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.657 -5.508 -7.131 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.970 -4.183 -6.162 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.538 -5.872 -3.622 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.260 -4.245 -3.615 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.140 -5.613 -2.892 1.00 0.00 H new ATOM 1323 N THR A 91 -5.516 -6.546 -8.230 1.00 0.00 N ATOM 1324 CA THR A 91 -5.256 -7.841 -8.846 1.00 0.00 C ATOM 1325 C THR A 91 -3.778 -8.203 -8.762 1.00 0.00 C ATOM 1326 O THR A 91 -2.917 -7.450 -9.218 1.00 0.00 O ATOM 1327 CB THR A 91 -5.695 -7.859 -10.322 1.00 0.00 C ATOM 1328 OG1 THR A 91 -7.121 -7.760 -10.411 1.00 0.00 O ATOM 1329 CG2 THR A 91 -5.226 -9.133 -11.010 1.00 0.00 C ATOM 0 H THR A 91 -5.304 -5.746 -8.826 1.00 0.00 H new ATOM 0 HA THR A 91 -5.839 -8.577 -8.293 1.00 0.00 H new ATOM 0 HB THR A 91 -5.240 -7.005 -10.824 1.00 0.00 H new ATOM 0 HG1 THR A 91 -7.391 -7.770 -11.353 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.548 -9.124 -12.051 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.138 -9.191 -10.967 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.656 -9.998 -10.505 1.00 0.00 H new ATOM 1337 N VAL A 92 -3.489 -9.362 -8.178 1.00 0.00 N ATOM 1338 CA VAL A 92 -2.114 -9.825 -8.037 1.00 0.00 C ATOM 1339 C VAL A 92 -1.805 -10.941 -9.028 1.00 0.00 C ATOM 1340 O VAL A 92 -1.965 -12.122 -8.719 1.00 0.00 O ATOM 1341 CB VAL A 92 -1.836 -10.330 -6.609 1.00 0.00 C ATOM 1342 CG1 VAL A 92 -0.424 -10.886 -6.504 1.00 0.00 C ATOM 1343 CG2 VAL A 92 -2.056 -9.216 -5.597 1.00 0.00 C ATOM 0 H VAL A 92 -4.189 -9.997 -7.795 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.470 -8.971 -8.245 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.535 -11.136 -6.385 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.246 -11.238 -5.488 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.307 -11.716 -7.201 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.294 -10.103 -6.748 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.855 -9.591 -4.594 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.383 -8.387 -5.816 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.088 -8.870 -5.655 1.00 0.00 H new ATOM 1353 N ARG A 93 -1.361 -10.559 -10.221 1.00 0.00 N ATOM 1354 CA ARG A 93 -1.030 -11.528 -11.259 1.00 0.00 C ATOM 1355 C ARG A 93 0.027 -12.512 -10.767 1.00 0.00 C ATOM 1356 O ARG A 93 1.193 -12.156 -10.603 1.00 0.00 O ATOM 1357 CB ARG A 93 -0.529 -10.811 -12.515 1.00 0.00 C ATOM 1358 CG ARG A 93 -1.544 -9.851 -13.113 1.00 0.00 C ATOM 1359 CD ARG A 93 -2.791 -10.582 -13.586 1.00 0.00 C ATOM 1360 NE ARG A 93 -3.741 -9.681 -14.234 1.00 0.00 N ATOM 1361 CZ ARG A 93 -4.960 -10.048 -14.613 1.00 0.00 C ATOM 1362 NH1 ARG A 93 -5.374 -11.291 -14.411 1.00 0.00 N ATOM 1363 NH2 ARG A 93 -5.767 -9.171 -15.196 1.00 0.00 N ATOM 0 H ARG A 93 -1.222 -9.586 -10.493 1.00 0.00 H new ATOM 0 HA ARG A 93 -1.935 -12.085 -11.503 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.380 -10.260 -12.271 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -0.259 -11.555 -13.265 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -1.820 -9.102 -12.370 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -1.093 -9.319 -13.951 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -2.507 -11.371 -14.282 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -3.272 -11.066 -12.736 1.00 0.00 H new ATOM 0 HE ARG A 93 -3.452 -8.718 -14.405 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -4.756 -11.968 -13.964 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -6.311 -11.570 -14.703 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -5.452 -8.214 -15.354 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -6.703 -9.454 -15.487 1.00 0.00 H new ATOM 1377 N ALA A 94 -0.390 -13.752 -10.533 1.00 0.00 N ATOM 1378 CA ALA A 94 0.520 -14.788 -10.061 1.00 0.00 C ATOM 1379 C ALA A 94 1.671 -14.995 -11.040 1.00 0.00 C ATOM 1380 O ALA A 94 1.454 -15.176 -12.239 1.00 0.00 O ATOM 1381 CB ALA A 94 -0.232 -16.093 -9.844 1.00 0.00 C ATOM 0 H ALA A 94 -1.353 -14.063 -10.663 1.00 0.00 H new ATOM 0 HA ALA A 94 0.940 -14.462 -9.110 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.460 -16.858 -9.492 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.015 -15.942 -9.101 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.681 -16.415 -10.784 1.00 0.00 H new ATOM 1387 N LEU A 95 2.894 -14.967 -10.522 1.00 0.00 N ATOM 1388 CA LEU A 95 4.080 -15.151 -11.351 1.00 0.00 C ATOM 1389 C LEU A 95 4.045 -16.502 -12.059 1.00 0.00 C ATOM 1390 O LEU A 95 3.438 -17.463 -11.586 1.00 0.00 O ATOM 1391 CB LEU A 95 5.345 -15.042 -10.498 1.00 0.00 C ATOM 1392 CG LEU A 95 5.720 -13.635 -10.031 1.00 0.00 C ATOM 1393 CD1 LEU A 95 6.848 -13.693 -9.013 1.00 0.00 C ATOM 1394 CD2 LEU A 95 6.114 -12.767 -11.218 1.00 0.00 C ATOM 0 H LEU A 95 3.090 -14.819 -9.532 1.00 0.00 H new ATOM 0 HA LEU A 95 4.090 -14.365 -12.107 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.222 -15.674 -9.619 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.180 -15.449 -11.069 1.00 0.00 H new ATOM 0 HG LEU A 95 4.849 -13.188 -9.552 1.00 0.00 H new ATOM 0 HD11 LEU A 95 7.101 -12.682 -8.692 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.530 -14.278 -8.150 1.00 0.00 H new ATOM 0 HD13 LEU A 95 7.723 -14.160 -9.466 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.378 -11.769 -10.867 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.970 -13.211 -11.725 1.00 0.00 H new ATOM 0 HD23 LEU A 95 5.276 -12.698 -11.912 1.00 0.00 H new