USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 676 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 27 GLN : amide:sc= -0.408 X(o=-0.52,f=-0.73) USER MOD Set 1.2: A 61 HIS : no HD1:sc= -0.115 X(o=-0.52,f=-0.51) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.926 USER MOD Single : A 17 TYR OH : rot 69:sc= 0.233 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 164:sc= -0.0101 (180deg=-0.142) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 17:sc= 0.256 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00795) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -94:sc= 1.04 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -4! K(o=-4!,f=-1.9) USER MOD Single : A 64 HIS : no HD1:sc= -0.223 X(o=-0.22,f=0) USER MOD Single : A 66 GLN : amide:sc= -2.28 K(o=-2.3,f=-3!) USER MOD Single : A 68 ASN : amide:sc= -1.92 X(o=-1.9,f=-2.3) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.331 K(o=-0.33,f=-1.4) USER MOD Single : A 80 GLN : amide:sc= -1.61 K(o=-1.6,f=-2.5!) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 HIS : no HD1:sc= -1.41 K(o=-1.4,f=-0.91) USER MOD Single : A 93 ASN : amide:sc= 0.993 K(o=0.99,f=-0.31) USER MOD Single : A 96 GLN : amide:sc= 1.15 K(o=1.1,f=0) USER MOD Single : A 99 HIS : no HE2:sc= -1.75 K(o=-1.8,f=-2.4!) USER MOD Single : A 101 THR OG1 : rot 72:sc= -1.69! USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 118 N LEU A 13 -9.056 -1.669 -14.672 1.00 0.00 N ATOM 119 CA LEU A 13 -9.621 -0.808 -13.639 1.00 0.00 C ATOM 120 C LEU A 13 -8.534 0.032 -12.976 1.00 0.00 C ATOM 121 O LEU A 13 -8.795 1.135 -12.495 1.00 0.00 O ATOM 122 CB LEU A 13 -10.345 -1.649 -12.587 1.00 0.00 C ATOM 123 CG LEU A 13 -11.287 -2.729 -13.122 1.00 0.00 C ATOM 124 CD1 LEU A 13 -12.011 -3.420 -11.977 1.00 0.00 C ATOM 125 CD2 LEU A 13 -12.284 -2.128 -14.102 1.00 0.00 C ATOM 0 HA LEU A 13 -10.336 -0.135 -14.112 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.596 -2.128 -11.956 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -10.919 -0.979 -11.947 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.693 -3.474 -13.651 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.677 -4.185 -12.376 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -11.282 -3.884 -11.313 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -12.594 -2.687 -11.420 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -12.946 -2.910 -14.473 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -12.873 -1.362 -13.598 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -11.747 -1.680 -14.938 1.00 0.00 H new ATOM 137 N PHE A 14 -7.315 -0.496 -12.956 1.00 0.00 N ATOM 138 CA PHE A 14 -6.188 0.205 -12.353 1.00 0.00 C ATOM 139 C PHE A 14 -5.255 0.760 -13.426 1.00 0.00 C ATOM 140 O PHE A 14 -5.140 0.196 -14.514 1.00 0.00 O ATOM 141 CB PHE A 14 -5.414 -0.732 -11.424 1.00 0.00 C ATOM 142 CG PHE A 14 -6.294 -1.498 -10.477 1.00 0.00 C ATOM 143 CD1 PHE A 14 -6.891 -2.685 -10.872 1.00 0.00 C ATOM 144 CD2 PHE A 14 -6.524 -1.032 -9.193 1.00 0.00 C ATOM 145 CE1 PHE A 14 -7.701 -3.391 -10.004 1.00 0.00 C ATOM 146 CE2 PHE A 14 -7.333 -1.734 -8.320 1.00 0.00 C ATOM 147 CZ PHE A 14 -7.922 -2.916 -8.726 1.00 0.00 C ATOM 0 H PHE A 14 -7.082 -1.407 -13.351 1.00 0.00 H new ATOM 0 HA PHE A 14 -6.581 1.039 -11.771 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.842 -1.437 -12.027 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.696 -0.148 -10.848 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -6.721 -3.062 -11.870 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -6.066 -0.109 -8.870 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -8.161 -4.314 -10.324 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.505 -1.359 -7.322 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.554 -3.467 -8.045 1.00 0.00 H new ATOM 157 N GLU A 15 -4.592 1.868 -13.110 1.00 0.00 N ATOM 158 CA GLU A 15 -3.670 2.499 -14.048 1.00 0.00 C ATOM 159 C GLU A 15 -2.266 2.586 -13.456 1.00 0.00 C ATOM 160 O GLU A 15 -2.098 2.797 -12.254 1.00 0.00 O ATOM 161 CB GLU A 15 -4.166 3.897 -14.421 1.00 0.00 C ATOM 162 CG GLU A 15 -4.388 4.805 -13.223 1.00 0.00 C ATOM 163 CD GLU A 15 -3.138 5.570 -12.831 1.00 0.00 C ATOM 164 OE1 GLU A 15 -2.560 6.247 -13.706 1.00 0.00 O ATOM 165 OE2 GLU A 15 -2.739 5.491 -11.651 1.00 0.00 O ATOM 0 H GLU A 15 -4.676 2.347 -12.213 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.628 1.884 -14.947 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.443 4.363 -15.090 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.100 3.806 -14.975 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.186 5.512 -13.451 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.724 4.207 -12.376 1.00 0.00 H new ATOM 172 N THR A 16 -1.260 2.421 -14.308 1.00 0.00 N ATOM 173 CA THR A 16 0.129 2.479 -13.871 1.00 0.00 C ATOM 174 C THR A 16 0.787 3.785 -14.302 1.00 0.00 C ATOM 175 O THR A 16 0.429 4.363 -15.328 1.00 0.00 O ATOM 176 CB THR A 16 0.944 1.298 -14.430 1.00 0.00 C ATOM 177 OG1 THR A 16 0.269 0.065 -14.158 1.00 0.00 O ATOM 178 CG2 THR A 16 2.338 1.265 -13.820 1.00 0.00 C ATOM 0 H THR A 16 -1.381 2.246 -15.306 1.00 0.00 H new ATOM 0 HA THR A 16 0.120 2.422 -12.783 1.00 0.00 H new ATOM 0 HB THR A 16 1.040 1.429 -15.508 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.793 -0.681 -14.518 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.895 0.422 -14.230 1.00 0.00 H new ATOM 0 HG22 THR A 16 2.860 2.193 -14.054 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.259 1.156 -12.738 1.00 0.00 H new ATOM 186 N TYR A 17 1.752 4.244 -13.512 1.00 0.00 N ATOM 187 CA TYR A 17 2.459 5.484 -13.812 1.00 0.00 C ATOM 188 C TYR A 17 3.893 5.432 -13.293 1.00 0.00 C ATOM 189 O TYR A 17 4.193 4.720 -12.335 1.00 0.00 O ATOM 190 CB TYR A 17 1.725 6.676 -13.196 1.00 0.00 C ATOM 191 CG TYR A 17 1.367 6.480 -11.740 1.00 0.00 C ATOM 192 CD1 TYR A 17 0.218 5.790 -11.374 1.00 0.00 C ATOM 193 CD2 TYR A 17 2.176 6.987 -10.731 1.00 0.00 C ATOM 194 CE1 TYR A 17 -0.114 5.610 -10.046 1.00 0.00 C ATOM 195 CE2 TYR A 17 1.853 6.810 -9.400 1.00 0.00 C ATOM 196 CZ TYR A 17 0.707 6.121 -9.062 1.00 0.00 C ATOM 197 OH TYR A 17 0.380 5.943 -7.737 1.00 0.00 O ATOM 0 H TYR A 17 2.062 3.777 -12.660 1.00 0.00 H new ATOM 0 HA TYR A 17 2.487 5.604 -14.895 1.00 0.00 H new ATOM 0 HB2 TYR A 17 2.349 7.565 -13.292 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.814 6.863 -13.764 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.427 5.388 -12.141 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.073 7.529 -10.992 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.012 5.072 -9.779 1.00 0.00 H new ATOM 0 HE2 TYR A 17 2.494 7.209 -8.628 1.00 0.00 H new ATOM 0 HH TYR A 17 0.476 4.997 -7.501 1.00 0.00 H new ATOM 207 N ASN A 18 4.775 6.192 -13.933 1.00 0.00 N ATOM 208 CA ASN A 18 6.178 6.234 -13.537 1.00 0.00 C ATOM 209 C ASN A 18 6.465 7.464 -12.680 1.00 0.00 C ATOM 210 O ASN A 18 6.088 8.581 -13.033 1.00 0.00 O ATOM 211 CB ASN A 18 7.079 6.239 -14.774 1.00 0.00 C ATOM 212 CG ASN A 18 6.665 5.196 -15.795 1.00 0.00 C ATOM 213 OD1 ASN A 18 6.298 5.527 -16.922 1.00 0.00 O ATOM 214 ND2 ASN A 18 6.723 3.929 -15.402 1.00 0.00 N ATOM 0 H ASN A 18 4.543 6.787 -14.728 1.00 0.00 H new ATOM 0 HA ASN A 18 6.389 5.343 -12.945 1.00 0.00 H new ATOM 0 HB2 ASN A 18 7.052 7.226 -15.236 1.00 0.00 H new ATOM 0 HB3 ASN A 18 8.110 6.057 -14.470 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.457 3.183 -16.045 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.034 3.702 -14.457 1.00 0.00 H new ATOM 221 N VAL A 19 7.136 7.249 -11.553 1.00 0.00 N ATOM 222 CA VAL A 19 7.475 8.339 -10.646 1.00 0.00 C ATOM 223 C VAL A 19 8.986 8.526 -10.553 1.00 0.00 C ATOM 224 O VAL A 19 9.695 7.671 -10.026 1.00 0.00 O ATOM 225 CB VAL A 19 6.912 8.091 -9.234 1.00 0.00 C ATOM 226 CG1 VAL A 19 6.592 9.410 -8.548 1.00 0.00 C ATOM 227 CG2 VAL A 19 5.680 7.202 -9.302 1.00 0.00 C ATOM 0 H VAL A 19 7.456 6.330 -11.246 1.00 0.00 H new ATOM 0 HA VAL A 19 7.024 9.243 -11.055 1.00 0.00 H new ATOM 0 HB VAL A 19 7.670 7.577 -8.643 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.195 9.215 -7.552 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.500 10.007 -8.467 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.851 9.954 -9.133 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.295 7.037 -8.296 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.915 7.686 -9.909 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.946 6.245 -9.750 1.00 0.00 H new ATOM 237 N GLU A 20 9.470 9.652 -11.069 1.00 0.00 N ATOM 238 CA GLU A 20 10.897 9.951 -11.044 1.00 0.00 C ATOM 239 C GLU A 20 11.261 10.761 -9.803 1.00 0.00 C ATOM 240 O GLU A 20 11.234 11.993 -9.822 1.00 0.00 O ATOM 241 CB GLU A 20 11.302 10.718 -12.305 1.00 0.00 C ATOM 242 CG GLU A 20 12.790 11.011 -12.387 1.00 0.00 C ATOM 243 CD GLU A 20 13.099 12.231 -13.232 1.00 0.00 C ATOM 244 OE1 GLU A 20 12.694 13.344 -12.836 1.00 0.00 O ATOM 245 OE2 GLU A 20 13.744 12.074 -14.289 1.00 0.00 O ATOM 0 H GLU A 20 8.896 10.371 -11.509 1.00 0.00 H new ATOM 0 HA GLU A 20 11.440 9.006 -11.012 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.005 10.142 -13.181 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.752 11.659 -12.340 1.00 0.00 H new ATOM 0 HG2 GLU A 20 13.183 11.161 -11.381 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.304 10.145 -12.804 1.00 0.00 H new ATOM 252 N LEU A 21 11.601 10.062 -8.726 1.00 0.00 N ATOM 253 CA LEU A 21 11.970 10.715 -7.475 1.00 0.00 C ATOM 254 C LEU A 21 13.419 11.192 -7.517 1.00 0.00 C ATOM 255 O LEU A 21 14.288 10.521 -8.074 1.00 0.00 O ATOM 256 CB LEU A 21 11.770 9.758 -6.299 1.00 0.00 C ATOM 257 CG LEU A 21 10.392 9.105 -6.192 1.00 0.00 C ATOM 258 CD1 LEU A 21 10.393 8.028 -5.118 1.00 0.00 C ATOM 259 CD2 LEU A 21 9.327 10.152 -5.898 1.00 0.00 C ATOM 0 H LEU A 21 11.629 9.043 -8.694 1.00 0.00 H new ATOM 0 HA LEU A 21 11.324 11.583 -7.342 1.00 0.00 H new ATOM 0 HB2 LEU A 21 12.519 8.969 -6.367 1.00 0.00 H new ATOM 0 HB3 LEU A 21 11.964 10.304 -5.376 1.00 0.00 H new ATOM 0 HG LEU A 21 10.159 8.636 -7.148 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.404 7.575 -5.056 1.00 0.00 H new ATOM 0 HD12 LEU A 21 11.128 7.263 -5.370 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.648 8.473 -4.156 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.352 9.669 -5.825 1.00 0.00 H new ATOM 0 HD22 LEU A 21 9.557 10.650 -4.956 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.308 10.888 -6.702 1.00 0.00 H new ATOM 271 N VAL A 22 13.672 12.353 -6.922 1.00 0.00 N ATOM 272 CA VAL A 22 15.015 12.919 -6.889 1.00 0.00 C ATOM 273 C VAL A 22 15.629 12.793 -5.499 1.00 0.00 C ATOM 274 O VAL A 22 14.977 13.076 -4.493 1.00 0.00 O ATOM 275 CB VAL A 22 15.011 14.402 -7.304 1.00 0.00 C ATOM 276 CG1 VAL A 22 14.256 15.240 -6.284 1.00 0.00 C ATOM 277 CG2 VAL A 22 16.434 14.910 -7.477 1.00 0.00 C ATOM 0 H VAL A 22 12.964 12.920 -6.456 1.00 0.00 H new ATOM 0 HA VAL A 22 15.615 12.353 -7.602 1.00 0.00 H new ATOM 0 HB VAL A 22 14.499 14.492 -8.262 1.00 0.00 H new ATOM 0 HG11 VAL A 22 14.264 16.285 -6.594 1.00 0.00 H new ATOM 0 HG12 VAL A 22 13.226 14.889 -6.216 1.00 0.00 H new ATOM 0 HG13 VAL A 22 14.736 15.147 -5.310 1.00 0.00 H new ATOM 0 HG21 VAL A 22 16.413 15.960 -7.770 1.00 0.00 H new ATOM 0 HG22 VAL A 22 16.974 14.807 -6.536 1.00 0.00 H new ATOM 0 HG23 VAL A 22 16.937 14.328 -8.249 1.00 0.00 H new ATOM 287 N ARG A 23 16.888 12.369 -5.450 1.00 0.00 N ATOM 288 CA ARG A 23 17.590 12.206 -4.183 1.00 0.00 C ATOM 289 C ARG A 23 18.719 13.224 -4.052 1.00 0.00 C ATOM 290 O ARG A 23 19.712 13.163 -4.778 1.00 0.00 O ATOM 291 CB ARG A 23 18.152 10.788 -4.066 1.00 0.00 C ATOM 292 CG ARG A 23 17.092 9.703 -4.168 1.00 0.00 C ATOM 293 CD ARG A 23 17.718 8.322 -4.283 1.00 0.00 C ATOM 294 NE ARG A 23 18.725 8.090 -3.251 1.00 0.00 N ATOM 295 CZ ARG A 23 19.103 6.880 -2.852 1.00 0.00 C ATOM 296 NH1 ARG A 23 18.560 5.800 -3.395 1.00 0.00 N ATOM 297 NH2 ARG A 23 20.026 6.751 -1.907 1.00 0.00 N ATOM 0 H ARG A 23 17.442 12.132 -6.273 1.00 0.00 H new ATOM 0 HA ARG A 23 16.876 12.375 -3.377 1.00 0.00 H new ATOM 0 HB2 ARG A 23 18.894 10.634 -4.850 1.00 0.00 H new ATOM 0 HB3 ARG A 23 18.671 10.689 -3.112 1.00 0.00 H new ATOM 0 HG2 ARG A 23 16.447 9.739 -3.290 1.00 0.00 H new ATOM 0 HG3 ARG A 23 16.460 9.891 -5.036 1.00 0.00 H new ATOM 0 HD2 ARG A 23 16.939 7.563 -4.206 1.00 0.00 H new ATOM 0 HD3 ARG A 23 18.175 8.212 -5.267 1.00 0.00 H new ATOM 0 HE ARG A 23 19.162 8.901 -2.813 1.00 0.00 H new ATOM 0 HH11 ARG A 23 17.850 5.896 -4.121 1.00 0.00 H new ATOM 0 HH12 ARG A 23 18.852 4.873 -3.087 1.00 0.00 H new ATOM 0 HH21 ARG A 23 20.445 7.581 -1.487 1.00 0.00 H new ATOM 0 HH22 ARG A 23 20.316 5.822 -1.601 1.00 0.00 H new ATOM 311 N LYS A 24 18.560 14.160 -3.123 1.00 0.00 N ATOM 312 CA LYS A 24 19.565 15.192 -2.895 1.00 0.00 C ATOM 313 C LYS A 24 20.941 14.571 -2.675 1.00 0.00 C ATOM 314 O LYS A 24 21.100 13.352 -2.735 1.00 0.00 O ATOM 315 CB LYS A 24 19.181 16.049 -1.687 1.00 0.00 C ATOM 316 CG LYS A 24 18.242 17.193 -2.028 1.00 0.00 C ATOM 317 CD LYS A 24 18.176 18.214 -0.904 1.00 0.00 C ATOM 318 CE LYS A 24 16.947 19.101 -1.028 1.00 0.00 C ATOM 319 NZ LYS A 24 15.697 18.369 -0.684 1.00 0.00 N ATOM 0 H LYS A 24 17.744 14.225 -2.515 1.00 0.00 H new ATOM 0 HA LYS A 24 19.608 15.825 -3.782 1.00 0.00 H new ATOM 0 HB2 LYS A 24 18.710 15.414 -0.937 1.00 0.00 H new ATOM 0 HB3 LYS A 24 20.087 16.455 -1.237 1.00 0.00 H new ATOM 0 HG2 LYS A 24 18.578 17.680 -2.944 1.00 0.00 H new ATOM 0 HG3 LYS A 24 17.244 16.800 -2.223 1.00 0.00 H new ATOM 0 HD2 LYS A 24 18.159 17.699 0.056 1.00 0.00 H new ATOM 0 HD3 LYS A 24 19.074 18.831 -0.918 1.00 0.00 H new ATOM 0 HE2 LYS A 24 17.055 19.964 -0.371 1.00 0.00 H new ATOM 0 HE3 LYS A 24 16.876 19.482 -2.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 14.930 19.051 -0.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 15.435 17.741 -1.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 15.851 17.803 0.175 1.00 0.00 H new ATOM 333 N ASP A 25 21.932 15.418 -2.418 1.00 0.00 N ATOM 334 CA ASP A 25 23.295 14.952 -2.186 1.00 0.00 C ATOM 335 C ASP A 25 23.395 14.205 -0.859 1.00 0.00 C ATOM 336 O ASP A 25 23.744 14.787 0.167 1.00 0.00 O ATOM 337 CB ASP A 25 24.268 16.132 -2.196 1.00 0.00 C ATOM 338 CG ASP A 25 24.263 16.875 -3.517 1.00 0.00 C ATOM 339 OD1 ASP A 25 23.341 17.689 -3.736 1.00 0.00 O ATOM 340 OD2 ASP A 25 25.180 16.643 -4.333 1.00 0.00 O ATOM 0 H ASP A 25 21.817 16.430 -2.365 1.00 0.00 H new ATOM 0 HA ASP A 25 23.560 14.265 -2.990 1.00 0.00 H new ATOM 0 HB2 ASP A 25 24.006 16.822 -1.394 1.00 0.00 H new ATOM 0 HB3 ASP A 25 25.275 15.770 -1.990 1.00 0.00 H new ATOM 345 N GLY A 26 23.085 12.912 -0.889 1.00 0.00 N ATOM 346 CA GLY A 26 23.146 12.108 0.318 1.00 0.00 C ATOM 347 C GLY A 26 21.786 11.927 0.963 1.00 0.00 C ATOM 348 O GLY A 26 21.667 11.941 2.188 1.00 0.00 O ATOM 0 H GLY A 26 22.793 12.408 -1.726 1.00 0.00 H new ATOM 0 HA2 GLY A 26 23.564 11.130 0.079 1.00 0.00 H new ATOM 0 HA3 GLY A 26 23.823 12.579 1.031 1.00 0.00 H new ATOM 352 N GLN A 27 20.758 11.759 0.137 1.00 0.00 N ATOM 353 CA GLN A 27 19.400 11.578 0.635 1.00 0.00 C ATOM 354 C GLN A 27 18.837 10.228 0.203 1.00 0.00 C ATOM 355 O GLN A 27 18.885 9.873 -0.974 1.00 0.00 O ATOM 356 CB GLN A 27 18.496 12.705 0.134 1.00 0.00 C ATOM 357 CG GLN A 27 17.091 12.661 0.713 1.00 0.00 C ATOM 358 CD GLN A 27 16.439 14.029 0.768 1.00 0.00 C ATOM 359 OE1 GLN A 27 17.078 15.020 1.123 1.00 0.00 O ATOM 360 NE2 GLN A 27 15.160 14.090 0.416 1.00 0.00 N ATOM 0 H GLN A 27 20.840 11.745 -0.880 1.00 0.00 H new ATOM 0 HA GLN A 27 19.433 11.605 1.724 1.00 0.00 H new ATOM 0 HB2 GLN A 27 18.952 13.663 0.382 1.00 0.00 H new ATOM 0 HB3 GLN A 27 18.434 12.654 -0.953 1.00 0.00 H new ATOM 0 HG2 GLN A 27 16.475 11.993 0.111 1.00 0.00 H new ATOM 0 HG3 GLN A 27 17.129 12.240 1.718 1.00 0.00 H new ATOM 0 HE21 GLN A 27 14.669 13.243 0.128 1.00 0.00 H new ATOM 0 HE22 GLN A 27 14.668 14.984 0.433 1.00 0.00 H new ATOM 369 N SER A 28 18.304 9.480 1.164 1.00 0.00 N ATOM 370 CA SER A 28 17.736 8.167 0.883 1.00 0.00 C ATOM 371 C SER A 28 16.352 8.297 0.254 1.00 0.00 C ATOM 372 O SER A 28 15.661 9.298 0.448 1.00 0.00 O ATOM 373 CB SER A 28 17.648 7.340 2.168 1.00 0.00 C ATOM 374 OG SER A 28 18.939 7.019 2.656 1.00 0.00 O ATOM 0 H SER A 28 18.254 9.761 2.143 1.00 0.00 H new ATOM 0 HA SER A 28 18.392 7.659 0.176 1.00 0.00 H new ATOM 0 HB2 SER A 28 17.097 7.897 2.926 1.00 0.00 H new ATOM 0 HB3 SER A 28 17.089 6.424 1.977 1.00 0.00 H new ATOM 0 HG SER A 28 18.856 6.492 3.478 1.00 0.00 H new ATOM 380 N LEU A 29 15.954 7.279 -0.501 1.00 0.00 N ATOM 381 CA LEU A 29 14.653 7.278 -1.160 1.00 0.00 C ATOM 382 C LEU A 29 13.550 7.685 -0.188 1.00 0.00 C ATOM 383 O LEU A 29 12.939 8.743 -0.336 1.00 0.00 O ATOM 384 CB LEU A 29 14.353 5.893 -1.738 1.00 0.00 C ATOM 385 CG LEU A 29 13.210 5.822 -2.751 1.00 0.00 C ATOM 386 CD1 LEU A 29 13.602 6.512 -4.048 1.00 0.00 C ATOM 387 CD2 LEU A 29 12.817 4.375 -3.011 1.00 0.00 C ATOM 0 H LEU A 29 16.514 6.444 -0.672 1.00 0.00 H new ATOM 0 HA LEU A 29 14.684 8.005 -1.971 1.00 0.00 H new ATOM 0 HB2 LEU A 29 15.258 5.516 -2.214 1.00 0.00 H new ATOM 0 HB3 LEU A 29 14.123 5.219 -0.913 1.00 0.00 H new ATOM 0 HG LEU A 29 12.348 6.342 -2.334 1.00 0.00 H new ATOM 0 HD11 LEU A 29 12.776 6.451 -4.757 1.00 0.00 H new ATOM 0 HD12 LEU A 29 13.832 7.558 -3.848 1.00 0.00 H new ATOM 0 HD13 LEU A 29 14.479 6.022 -4.470 1.00 0.00 H new ATOM 0 HD21 LEU A 29 12.002 4.344 -3.734 1.00 0.00 H new ATOM 0 HD22 LEU A 29 13.674 3.831 -3.406 1.00 0.00 H new ATOM 0 HD23 LEU A 29 12.492 3.913 -2.079 1.00 0.00 H new ATOM 399 N GLY A 30 13.302 6.839 0.807 1.00 0.00 N ATOM 400 CA GLY A 30 12.275 7.130 1.789 1.00 0.00 C ATOM 401 C GLY A 30 10.939 6.507 1.434 1.00 0.00 C ATOM 402 O GLY A 30 9.912 7.187 1.428 1.00 0.00 O ATOM 0 H GLY A 30 13.794 5.957 0.950 1.00 0.00 H new ATOM 0 HA2 GLY A 30 12.595 6.764 2.764 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.157 8.210 1.877 1.00 0.00 H new ATOM 406 N ILE A 31 10.953 5.213 1.134 1.00 0.00 N ATOM 407 CA ILE A 31 9.734 4.500 0.775 1.00 0.00 C ATOM 408 C ILE A 31 9.677 3.133 1.449 1.00 0.00 C ATOM 409 O ILE A 31 10.379 2.204 1.051 1.00 0.00 O ATOM 410 CB ILE A 31 9.619 4.313 -0.750 1.00 0.00 C ATOM 411 CG1 ILE A 31 9.649 5.670 -1.456 1.00 0.00 C ATOM 412 CG2 ILE A 31 8.345 3.557 -1.096 1.00 0.00 C ATOM 413 CD1 ILE A 31 9.770 5.566 -2.960 1.00 0.00 C ATOM 0 H ILE A 31 11.795 4.637 1.132 1.00 0.00 H new ATOM 0 HA ILE A 31 8.899 5.109 1.122 1.00 0.00 H new ATOM 0 HB ILE A 31 10.471 3.727 -1.095 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.740 6.219 -1.210 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.487 6.252 -1.072 1.00 0.00 H new ATOM 0 HG21 ILE A 31 8.278 3.433 -2.177 1.00 0.00 H new ATOM 0 HG22 ILE A 31 8.362 2.577 -0.618 1.00 0.00 H new ATOM 0 HG23 ILE A 31 7.481 4.119 -0.741 1.00 0.00 H new ATOM 0 HD11 ILE A 31 9.785 6.566 -3.394 1.00 0.00 H new ATOM 0 HD12 ILE A 31 10.693 5.045 -3.216 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.919 5.012 -3.356 1.00 0.00 H new ATOM 425 N ARG A 32 8.836 3.018 2.471 1.00 0.00 N ATOM 426 CA ARG A 32 8.687 1.764 3.201 1.00 0.00 C ATOM 427 C ARG A 32 7.833 0.775 2.413 1.00 0.00 C ATOM 428 O ARG A 32 6.778 1.132 1.886 1.00 0.00 O ATOM 429 CB ARG A 32 8.057 2.019 4.571 1.00 0.00 C ATOM 430 CG ARG A 32 9.053 2.480 5.623 1.00 0.00 C ATOM 431 CD ARG A 32 9.750 1.302 6.285 1.00 0.00 C ATOM 432 NE ARG A 32 10.924 0.867 5.534 1.00 0.00 N ATOM 433 CZ ARG A 32 11.495 -0.322 5.686 1.00 0.00 C ATOM 434 NH1 ARG A 32 11.003 -1.191 6.558 1.00 0.00 N ATOM 435 NH2 ARG A 32 12.562 -0.645 4.966 1.00 0.00 N ATOM 0 H ARG A 32 8.247 3.778 2.813 1.00 0.00 H new ATOM 0 HA ARG A 32 9.678 1.333 3.339 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.276 2.772 4.468 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.575 1.104 4.916 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.796 3.131 5.162 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.537 3.071 6.380 1.00 0.00 H new ATOM 0 HD2 ARG A 32 10.049 1.579 7.296 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.050 0.471 6.376 1.00 0.00 H new ATOM 0 HE ARG A 32 11.328 1.512 4.855 1.00 0.00 H new ATOM 0 HH11 ARG A 32 10.184 -0.947 7.114 1.00 0.00 H new ATOM 0 HH12 ARG A 32 11.444 -2.104 6.673 1.00 0.00 H new ATOM 0 HH21 ARG A 32 12.945 0.021 4.295 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.999 -1.559 5.084 1.00 0.00 H new ATOM 449 N ILE A 33 8.295 -0.468 2.337 1.00 0.00 N ATOM 450 CA ILE A 33 7.574 -1.508 1.614 1.00 0.00 C ATOM 451 C ILE A 33 7.140 -2.629 2.552 1.00 0.00 C ATOM 452 O ILE A 33 7.611 -2.722 3.686 1.00 0.00 O ATOM 453 CB ILE A 33 8.430 -2.104 0.481 1.00 0.00 C ATOM 454 CG1 ILE A 33 9.726 -2.691 1.046 1.00 0.00 C ATOM 455 CG2 ILE A 33 8.735 -1.044 -0.566 1.00 0.00 C ATOM 456 CD1 ILE A 33 10.347 -3.747 0.160 1.00 0.00 C ATOM 0 H ILE A 33 9.166 -0.780 2.767 1.00 0.00 H new ATOM 0 HA ILE A 33 6.691 -1.037 1.181 1.00 0.00 H new ATOM 0 HB ILE A 33 7.867 -2.906 0.004 1.00 0.00 H new ATOM 0 HG12 ILE A 33 10.445 -1.886 1.196 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.523 -3.124 2.026 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.341 -1.481 -1.360 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.802 -0.668 -0.986 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.281 -0.222 -0.103 1.00 0.00 H new ATOM 0 HD11 ILE A 33 11.261 -4.118 0.623 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.646 -4.571 0.030 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.582 -3.314 -0.812 1.00 0.00 H new ATOM 468 N VAL A 34 6.240 -3.481 2.071 1.00 0.00 N ATOM 469 CA VAL A 34 5.744 -4.599 2.865 1.00 0.00 C ATOM 470 C VAL A 34 5.514 -5.831 1.996 1.00 0.00 C ATOM 471 O VAL A 34 5.211 -5.719 0.809 1.00 0.00 O ATOM 472 CB VAL A 34 4.430 -4.238 3.583 1.00 0.00 C ATOM 473 CG1 VAL A 34 3.254 -4.333 2.624 1.00 0.00 C ATOM 474 CG2 VAL A 34 4.219 -5.139 4.790 1.00 0.00 C ATOM 0 H VAL A 34 5.839 -3.418 1.135 1.00 0.00 H new ATOM 0 HA VAL A 34 6.507 -4.821 3.611 1.00 0.00 H new ATOM 0 HB VAL A 34 4.498 -3.208 3.934 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.334 -4.074 3.149 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.404 -3.642 1.794 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.179 -5.350 2.240 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.286 -4.870 5.286 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.171 -6.178 4.464 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.049 -5.015 5.486 1.00 0.00 H new ATOM 484 N GLY A 35 5.661 -7.008 2.597 1.00 0.00 N ATOM 485 CA GLY A 35 5.465 -8.245 1.864 1.00 0.00 C ATOM 486 C GLY A 35 4.149 -8.916 2.200 1.00 0.00 C ATOM 487 O GLY A 35 4.028 -9.581 3.230 1.00 0.00 O ATOM 0 H GLY A 35 5.912 -7.127 3.578 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.502 -8.039 0.794 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.285 -8.929 2.085 1.00 0.00 H new ATOM 491 N TYR A 36 3.159 -8.741 1.332 1.00 0.00 N ATOM 492 CA TYR A 36 1.843 -9.332 1.544 1.00 0.00 C ATOM 493 C TYR A 36 1.799 -10.765 1.024 1.00 0.00 C ATOM 494 O TYR A 36 2.623 -11.166 0.202 1.00 0.00 O ATOM 495 CB TYR A 36 0.766 -8.493 0.853 1.00 0.00 C ATOM 496 CG TYR A 36 0.090 -7.501 1.771 1.00 0.00 C ATOM 497 CD1 TYR A 36 -1.045 -7.852 2.492 1.00 0.00 C ATOM 498 CD2 TYR A 36 0.586 -6.211 1.920 1.00 0.00 C ATOM 499 CE1 TYR A 36 -1.667 -6.948 3.331 1.00 0.00 C ATOM 500 CE2 TYR A 36 -0.028 -5.301 2.758 1.00 0.00 C ATOM 501 CZ TYR A 36 -1.155 -5.674 3.461 1.00 0.00 C ATOM 502 OH TYR A 36 -1.770 -4.771 4.297 1.00 0.00 O ATOM 0 H TYR A 36 3.243 -8.195 0.475 1.00 0.00 H new ATOM 0 HA TYR A 36 1.649 -9.348 2.616 1.00 0.00 H new ATOM 0 HB2 TYR A 36 1.216 -7.955 0.019 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.012 -9.159 0.433 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.448 -8.849 2.395 1.00 0.00 H new ATOM 0 HD2 TYR A 36 1.467 -5.915 1.371 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -2.550 -7.237 3.882 1.00 0.00 H new ATOM 0 HE2 TYR A 36 0.372 -4.303 2.862 1.00 0.00 H new ATOM 0 HH TYR A 36 -1.283 -3.921 4.275 1.00 0.00 H new ATOM 624 N SER A 46 -1.898 -10.006 -2.868 1.00 0.00 N ATOM 625 CA SER A 46 -0.516 -10.432 -2.683 1.00 0.00 C ATOM 626 C SER A 46 0.431 -9.579 -3.522 1.00 0.00 C ATOM 627 O SER A 46 0.233 -9.411 -4.725 1.00 0.00 O ATOM 628 CB SER A 46 -0.360 -11.907 -3.058 1.00 0.00 C ATOM 629 OG SER A 46 -0.524 -12.099 -4.452 1.00 0.00 O ATOM 0 HA SER A 46 -0.259 -10.303 -1.632 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.625 -12.261 -2.752 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.095 -12.503 -2.517 1.00 0.00 H new ATOM 0 HG SER A 46 -0.430 -11.240 -4.914 1.00 0.00 H new ATOM 635 N GLY A 47 1.463 -9.043 -2.877 1.00 0.00 N ATOM 636 CA GLY A 47 2.426 -8.214 -3.578 1.00 0.00 C ATOM 637 C GLY A 47 3.084 -7.195 -2.669 1.00 0.00 C ATOM 638 O GLY A 47 2.827 -7.170 -1.465 1.00 0.00 O ATOM 0 H GLY A 47 1.649 -9.168 -1.882 1.00 0.00 H new ATOM 0 HA2 GLY A 47 3.193 -8.849 -4.022 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.927 -7.697 -4.398 1.00 0.00 H new ATOM 642 N ILE A 48 3.936 -6.354 -3.245 1.00 0.00 N ATOM 643 CA ILE A 48 4.633 -5.329 -2.478 1.00 0.00 C ATOM 644 C ILE A 48 3.830 -4.033 -2.435 1.00 0.00 C ATOM 645 O ILE A 48 3.426 -3.506 -3.472 1.00 0.00 O ATOM 646 CB ILE A 48 6.027 -5.036 -3.065 1.00 0.00 C ATOM 647 CG1 ILE A 48 6.856 -6.320 -3.130 1.00 0.00 C ATOM 648 CG2 ILE A 48 6.740 -3.980 -2.235 1.00 0.00 C ATOM 649 CD1 ILE A 48 6.958 -7.042 -1.804 1.00 0.00 C ATOM 0 H ILE A 48 4.160 -6.362 -4.240 1.00 0.00 H new ATOM 0 HA ILE A 48 4.748 -5.717 -1.466 1.00 0.00 H new ATOM 0 HB ILE A 48 5.906 -4.652 -4.078 1.00 0.00 H new ATOM 0 HG12 ILE A 48 6.414 -6.991 -3.867 1.00 0.00 H new ATOM 0 HG13 ILE A 48 7.859 -6.078 -3.481 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.723 -3.784 -2.662 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.154 -3.061 -2.235 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.854 -4.337 -1.212 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.560 -7.943 -1.925 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.428 -6.388 -1.069 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.960 -7.316 -1.461 1.00 0.00 H new ATOM 661 N TYR A 49 3.604 -3.524 -1.230 1.00 0.00 N ATOM 662 CA TYR A 49 2.848 -2.289 -1.051 1.00 0.00 C ATOM 663 C TYR A 49 3.638 -1.283 -0.219 1.00 0.00 C ATOM 664 O TYR A 49 4.542 -1.653 0.530 1.00 0.00 O ATOM 665 CB TYR A 49 1.506 -2.581 -0.379 1.00 0.00 C ATOM 666 CG TYR A 49 0.609 -3.491 -1.188 1.00 0.00 C ATOM 667 CD1 TYR A 49 0.768 -4.871 -1.147 1.00 0.00 C ATOM 668 CD2 TYR A 49 -0.396 -2.971 -1.994 1.00 0.00 C ATOM 669 CE1 TYR A 49 -0.048 -5.706 -1.885 1.00 0.00 C ATOM 670 CE2 TYR A 49 -1.218 -3.799 -2.734 1.00 0.00 C ATOM 671 CZ TYR A 49 -1.040 -5.165 -2.676 1.00 0.00 C ATOM 672 OH TYR A 49 -1.856 -5.993 -3.413 1.00 0.00 O ATOM 0 H TYR A 49 3.933 -3.947 -0.362 1.00 0.00 H new ATOM 0 HA TYR A 49 2.667 -1.857 -2.035 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.688 -3.036 0.595 1.00 0.00 H new ATOM 0 HB3 TYR A 49 0.987 -1.640 -0.199 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.543 -5.298 -0.527 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -0.537 -1.901 -2.043 1.00 0.00 H new ATOM 0 HE1 TYR A 49 0.090 -6.776 -1.843 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -1.996 -3.379 -3.354 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.502 -5.453 -3.914 1.00 0.00 H new ATOM 682 N VAL A 50 3.289 -0.008 -0.357 1.00 0.00 N ATOM 683 CA VAL A 50 3.962 1.053 0.382 1.00 0.00 C ATOM 684 C VAL A 50 3.470 1.117 1.824 1.00 0.00 C ATOM 685 O VAL A 50 2.423 1.698 2.109 1.00 0.00 O ATOM 686 CB VAL A 50 3.745 2.425 -0.283 1.00 0.00 C ATOM 687 CG1 VAL A 50 4.303 3.538 0.592 1.00 0.00 C ATOM 688 CG2 VAL A 50 4.382 2.453 -1.665 1.00 0.00 C ATOM 0 H VAL A 50 2.544 0.315 -0.974 1.00 0.00 H new ATOM 0 HA VAL A 50 5.026 0.817 0.374 1.00 0.00 H new ATOM 0 HB VAL A 50 2.673 2.588 -0.397 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.140 4.500 0.105 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.797 3.530 1.558 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.372 3.383 0.741 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.219 3.430 -2.121 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.452 2.268 -1.576 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.931 1.682 -2.289 1.00 0.00 H new ATOM 698 N LYS A 51 4.233 0.515 2.730 1.00 0.00 N ATOM 699 CA LYS A 51 3.877 0.503 4.144 1.00 0.00 C ATOM 700 C LYS A 51 3.831 1.921 4.705 1.00 0.00 C ATOM 701 O LYS A 51 2.974 2.247 5.526 1.00 0.00 O ATOM 702 CB LYS A 51 4.879 -0.339 4.937 1.00 0.00 C ATOM 703 CG LYS A 51 4.586 -0.391 6.426 1.00 0.00 C ATOM 704 CD LYS A 51 3.514 -1.419 6.747 1.00 0.00 C ATOM 705 CE LYS A 51 3.477 -1.740 8.234 1.00 0.00 C ATOM 706 NZ LYS A 51 3.116 -0.548 9.050 1.00 0.00 N ATOM 0 H LYS A 51 5.102 0.029 2.510 1.00 0.00 H new ATOM 0 HA LYS A 51 2.885 0.061 4.240 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.882 -1.354 4.540 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.880 0.065 4.786 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.499 -0.634 6.969 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.263 0.592 6.769 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.541 -1.043 6.431 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.702 -2.331 6.181 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.755 -2.537 8.416 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.451 -2.114 8.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.052 -0.820 10.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.845 0.185 8.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.198 -0.175 8.733 1.00 0.00 H new ATOM 720 N SER A 52 4.759 2.760 4.257 1.00 0.00 N ATOM 721 CA SER A 52 4.826 4.143 4.716 1.00 0.00 C ATOM 722 C SER A 52 5.662 4.992 3.763 1.00 0.00 C ATOM 723 O SER A 52 6.278 4.476 2.831 1.00 0.00 O ATOM 724 CB SER A 52 5.417 4.206 6.126 1.00 0.00 C ATOM 725 OG SER A 52 4.900 5.310 6.847 1.00 0.00 O ATOM 0 H SER A 52 5.475 2.507 3.576 1.00 0.00 H new ATOM 0 HA SER A 52 3.812 4.543 4.736 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.193 3.282 6.659 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.503 4.283 6.065 1.00 0.00 H new ATOM 0 HG SER A 52 5.292 5.327 7.745 1.00 0.00 H new ATOM 731 N VAL A 53 5.678 6.299 4.005 1.00 0.00 N ATOM 732 CA VAL A 53 6.438 7.221 3.170 1.00 0.00 C ATOM 733 C VAL A 53 7.247 8.194 4.021 1.00 0.00 C ATOM 734 O VAL A 53 6.774 9.278 4.362 1.00 0.00 O ATOM 735 CB VAL A 53 5.514 8.023 2.233 1.00 0.00 C ATOM 736 CG1 VAL A 53 6.320 9.012 1.406 1.00 0.00 C ATOM 737 CG2 VAL A 53 4.723 7.084 1.335 1.00 0.00 C ATOM 0 H VAL A 53 5.173 6.743 4.772 1.00 0.00 H new ATOM 0 HA VAL A 53 7.117 6.616 2.569 1.00 0.00 H new ATOM 0 HB VAL A 53 4.808 8.587 2.842 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.650 9.569 0.751 1.00 0.00 H new ATOM 0 HG12 VAL A 53 6.837 9.705 2.070 1.00 0.00 H new ATOM 0 HG13 VAL A 53 7.051 8.472 0.804 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.076 7.667 0.680 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.411 6.492 0.732 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.115 6.420 1.949 1.00 0.00 H new ATOM 747 N ILE A 54 8.469 7.798 4.361 1.00 0.00 N ATOM 748 CA ILE A 54 9.345 8.635 5.171 1.00 0.00 C ATOM 749 C ILE A 54 9.327 10.081 4.686 1.00 0.00 C ATOM 750 O ILE A 54 9.507 10.367 3.502 1.00 0.00 O ATOM 751 CB ILE A 54 10.795 8.117 5.152 1.00 0.00 C ATOM 752 CG1 ILE A 54 10.877 6.740 5.813 1.00 0.00 C ATOM 753 CG2 ILE A 54 11.719 9.103 5.851 1.00 0.00 C ATOM 754 CD1 ILE A 54 10.468 5.606 4.900 1.00 0.00 C ATOM 0 H ILE A 54 8.875 6.903 4.088 1.00 0.00 H new ATOM 0 HA ILE A 54 8.966 8.592 6.192 1.00 0.00 H new ATOM 0 HB ILE A 54 11.117 8.020 4.115 1.00 0.00 H new ATOM 0 HG12 ILE A 54 11.898 6.570 6.155 1.00 0.00 H new ATOM 0 HG13 ILE A 54 10.239 6.732 6.697 1.00 0.00 H new ATOM 0 HG21 ILE A 54 12.740 8.723 5.829 1.00 0.00 H new ATOM 0 HG22 ILE A 54 11.679 10.065 5.339 1.00 0.00 H new ATOM 0 HG23 ILE A 54 11.401 9.229 6.886 1.00 0.00 H new ATOM 0 HD11 ILE A 54 10.551 4.660 5.435 1.00 0.00 H new ATOM 0 HD12 ILE A 54 9.437 5.752 4.578 1.00 0.00 H new ATOM 0 HD13 ILE A 54 11.121 5.588 4.028 1.00 0.00 H new ATOM 766 N PRO A 55 9.106 11.016 5.621 1.00 0.00 N ATOM 767 CA PRO A 55 9.061 12.449 5.313 1.00 0.00 C ATOM 768 C PRO A 55 10.432 13.005 4.942 1.00 0.00 C ATOM 769 O PRO A 55 11.458 12.380 5.206 1.00 0.00 O ATOM 770 CB PRO A 55 8.565 13.077 6.618 1.00 0.00 C ATOM 771 CG PRO A 55 8.966 12.111 7.680 1.00 0.00 C ATOM 772 CD PRO A 55 8.883 10.747 7.052 1.00 0.00 C ATOM 0 HA PRO A 55 8.426 12.661 4.453 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.016 14.056 6.783 1.00 0.00 H new ATOM 0 HB3 PRO A 55 7.485 13.222 6.602 1.00 0.00 H new ATOM 0 HG2 PRO A 55 9.976 12.317 8.034 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.305 12.184 8.544 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.637 10.072 7.456 1.00 0.00 H new ATOM 0 HD3 PRO A 55 7.913 10.282 7.227 1.00 0.00 H new ATOM 780 N GLY A 56 10.440 14.184 4.327 1.00 0.00 N ATOM 781 CA GLY A 56 11.691 14.804 3.929 1.00 0.00 C ATOM 782 C GLY A 56 12.512 13.918 3.014 1.00 0.00 C ATOM 783 O GLY A 56 13.727 14.081 2.908 1.00 0.00 O ATOM 0 H GLY A 56 9.603 14.720 4.097 1.00 0.00 H new ATOM 0 HA2 GLY A 56 11.481 15.747 3.424 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.274 15.042 4.819 1.00 0.00 H new ATOM 787 N SER A 57 11.848 12.976 2.352 1.00 0.00 N ATOM 788 CA SER A 57 12.525 12.056 1.446 1.00 0.00 C ATOM 789 C SER A 57 12.105 12.310 0.001 1.00 0.00 C ATOM 790 O SER A 57 11.086 12.950 -0.257 1.00 0.00 O ATOM 791 CB SER A 57 12.218 10.608 1.831 1.00 0.00 C ATOM 792 OG SER A 57 11.001 10.173 1.250 1.00 0.00 O ATOM 0 H SER A 57 10.841 12.830 2.426 1.00 0.00 H new ATOM 0 HA SER A 57 13.598 12.226 1.530 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.032 9.961 1.504 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.158 10.522 2.916 1.00 0.00 H new ATOM 0 HG SER A 57 10.269 10.305 1.888 1.00 0.00 H new ATOM 798 N ALA A 58 12.899 11.804 -0.937 1.00 0.00 N ATOM 799 CA ALA A 58 12.610 11.973 -2.355 1.00 0.00 C ATOM 800 C ALA A 58 11.160 11.619 -2.666 1.00 0.00 C ATOM 801 O ALA A 58 10.504 12.290 -3.463 1.00 0.00 O ATOM 802 CB ALA A 58 13.554 11.122 -3.192 1.00 0.00 C ATOM 0 H ALA A 58 13.748 11.274 -0.740 1.00 0.00 H new ATOM 0 HA ALA A 58 12.763 13.022 -2.608 1.00 0.00 H new ATOM 0 HB1 ALA A 58 13.326 11.258 -4.249 1.00 0.00 H new ATOM 0 HB2 ALA A 58 14.583 11.425 -3.001 1.00 0.00 H new ATOM 0 HB3 ALA A 58 13.429 10.072 -2.927 1.00 0.00 H new ATOM 808 N ALA A 59 10.665 10.560 -2.033 1.00 0.00 N ATOM 809 CA ALA A 59 9.292 10.118 -2.241 1.00 0.00 C ATOM 810 C ALA A 59 8.298 11.163 -1.748 1.00 0.00 C ATOM 811 O ALA A 59 7.448 11.632 -2.507 1.00 0.00 O ATOM 812 CB ALA A 59 9.054 8.788 -1.541 1.00 0.00 C ATOM 0 H ALA A 59 11.195 9.992 -1.372 1.00 0.00 H new ATOM 0 HA ALA A 59 9.138 9.985 -3.312 1.00 0.00 H new ATOM 0 HB1 ALA A 59 8.024 8.470 -1.705 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.734 8.038 -1.944 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.233 8.902 -0.472 1.00 0.00 H new ATOM 818 N TYR A 60 8.408 11.524 -0.475 1.00 0.00 N ATOM 819 CA TYR A 60 7.516 12.512 0.120 1.00 0.00 C ATOM 820 C TYR A 60 7.556 13.822 -0.661 1.00 0.00 C ATOM 821 O TYR A 60 6.516 14.381 -1.011 1.00 0.00 O ATOM 822 CB TYR A 60 7.901 12.764 1.579 1.00 0.00 C ATOM 823 CG TYR A 60 7.217 13.968 2.186 1.00 0.00 C ATOM 824 CD1 TYR A 60 7.740 15.245 2.020 1.00 0.00 C ATOM 825 CD2 TYR A 60 6.050 13.830 2.926 1.00 0.00 C ATOM 826 CE1 TYR A 60 7.119 16.349 2.573 1.00 0.00 C ATOM 827 CE2 TYR A 60 5.421 14.928 3.481 1.00 0.00 C ATOM 828 CZ TYR A 60 5.960 16.185 3.302 1.00 0.00 C ATOM 829 OH TYR A 60 5.338 17.281 3.855 1.00 0.00 O ATOM 0 H TYR A 60 9.107 11.147 0.166 1.00 0.00 H new ATOM 0 HA TYR A 60 6.501 12.117 0.082 1.00 0.00 H new ATOM 0 HB2 TYR A 60 7.655 11.881 2.169 1.00 0.00 H new ATOM 0 HB3 TYR A 60 8.981 12.899 1.643 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.647 15.377 1.449 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.627 12.847 3.070 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.539 17.334 2.435 1.00 0.00 H new ATOM 0 HE2 TYR A 60 4.513 14.803 4.052 1.00 0.00 H new ATOM 0 HH TYR A 60 4.534 16.993 4.336 1.00 0.00 H new ATOM 839 N HIS A 61 8.764 14.305 -0.933 1.00 0.00 N ATOM 840 CA HIS A 61 8.941 15.548 -1.675 1.00 0.00 C ATOM 841 C HIS A 61 8.081 15.557 -2.935 1.00 0.00 C ATOM 842 O HIS A 61 7.273 16.461 -3.140 1.00 0.00 O ATOM 843 CB HIS A 61 10.412 15.741 -2.046 1.00 0.00 C ATOM 844 CG HIS A 61 11.231 16.351 -0.950 1.00 0.00 C ATOM 845 ND1 HIS A 61 10.886 17.526 -0.318 1.00 0.00 N ATOM 846 CD2 HIS A 61 12.385 15.940 -0.374 1.00 0.00 C ATOM 847 CE1 HIS A 61 11.793 17.813 0.599 1.00 0.00 C ATOM 848 NE2 HIS A 61 12.713 16.866 0.585 1.00 0.00 N ATOM 0 H HIS A 61 9.635 13.855 -0.651 1.00 0.00 H new ATOM 0 HA HIS A 61 8.624 16.372 -1.035 1.00 0.00 H new ATOM 0 HB2 HIS A 61 10.840 14.775 -2.314 1.00 0.00 H new ATOM 0 HB3 HIS A 61 10.475 16.374 -2.931 1.00 0.00 H new ATOM 0 HD2 HIS A 61 12.944 15.050 -0.623 1.00 0.00 H new ATOM 0 HE1 HIS A 61 11.783 18.675 1.249 1.00 0.00 H new ATOM 0 HE2 HIS A 61 13.534 16.829 1.189 1.00 0.00 H new ATOM 857 N ASN A 62 8.262 14.543 -3.776 1.00 0.00 N ATOM 858 CA ASN A 62 7.504 14.435 -5.017 1.00 0.00 C ATOM 859 C ASN A 62 6.008 14.589 -4.755 1.00 0.00 C ATOM 860 O ASN A 62 5.377 15.530 -5.235 1.00 0.00 O ATOM 861 CB ASN A 62 7.779 13.089 -5.691 1.00 0.00 C ATOM 862 CG ASN A 62 7.664 13.165 -7.201 1.00 0.00 C ATOM 863 OD1 ASN A 62 8.097 14.137 -7.820 1.00 0.00 O ATOM 864 ND2 ASN A 62 7.076 12.137 -7.802 1.00 0.00 N ATOM 0 H ASN A 62 8.927 13.785 -3.620 1.00 0.00 H new ATOM 0 HA ASN A 62 7.824 15.238 -5.681 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.779 12.749 -5.422 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.077 12.346 -5.313 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.969 12.133 -8.816 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.732 11.352 -7.249 1.00 0.00 H new ATOM 871 N GLY A 63 5.448 13.656 -3.991 1.00 0.00 N ATOM 872 CA GLY A 63 4.031 13.707 -3.679 1.00 0.00 C ATOM 873 C GLY A 63 3.200 12.852 -4.615 1.00 0.00 C ATOM 874 O GLY A 63 2.001 13.080 -4.776 1.00 0.00 O ATOM 0 H GLY A 63 5.949 12.867 -3.583 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.876 13.373 -2.653 1.00 0.00 H new ATOM 0 HA3 GLY A 63 3.687 14.740 -3.734 1.00 0.00 H new ATOM 878 N HIS A 64 3.839 11.865 -5.236 1.00 0.00 N ATOM 879 CA HIS A 64 3.150 10.973 -6.162 1.00 0.00 C ATOM 880 C HIS A 64 3.029 9.569 -5.576 1.00 0.00 C ATOM 881 O HIS A 64 2.006 8.904 -5.743 1.00 0.00 O ATOM 882 CB HIS A 64 3.893 10.918 -7.497 1.00 0.00 C ATOM 883 CG HIS A 64 3.706 12.144 -8.338 1.00 0.00 C ATOM 884 ND1 HIS A 64 3.800 12.135 -9.713 1.00 0.00 N ATOM 885 CD2 HIS A 64 3.427 13.422 -7.990 1.00 0.00 C ATOM 886 CE1 HIS A 64 3.589 13.354 -10.175 1.00 0.00 C ATOM 887 NE2 HIS A 64 3.360 14.154 -9.149 1.00 0.00 N ATOM 0 H HIS A 64 4.831 11.663 -5.115 1.00 0.00 H new ATOM 0 HA HIS A 64 2.147 11.366 -6.328 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.957 10.777 -7.306 1.00 0.00 H new ATOM 0 HB3 HIS A 64 3.552 10.048 -8.058 1.00 0.00 H new ATOM 0 HD2 HIS A 64 3.284 13.796 -6.987 1.00 0.00 H new ATOM 0 HE1 HIS A 64 3.602 13.647 -11.214 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.165 15.153 -9.209 1.00 0.00 H new ATOM 896 N ILE A 65 4.077 9.127 -4.891 1.00 0.00 N ATOM 897 CA ILE A 65 4.087 7.803 -4.281 1.00 0.00 C ATOM 898 C ILE A 65 3.667 7.870 -2.817 1.00 0.00 C ATOM 899 O ILE A 65 4.288 8.566 -2.014 1.00 0.00 O ATOM 900 CB ILE A 65 5.478 7.149 -4.375 1.00 0.00 C ATOM 901 CG1 ILE A 65 5.905 7.017 -5.839 1.00 0.00 C ATOM 902 CG2 ILE A 65 5.472 5.789 -3.695 1.00 0.00 C ATOM 903 CD1 ILE A 65 7.404 6.924 -6.025 1.00 0.00 C ATOM 0 H ILE A 65 4.931 9.666 -4.744 1.00 0.00 H new ATOM 0 HA ILE A 65 3.372 7.195 -4.835 1.00 0.00 H new ATOM 0 HB ILE A 65 6.198 7.786 -3.861 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.438 6.130 -6.267 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.530 7.875 -6.397 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.462 5.340 -3.770 1.00 0.00 H new ATOM 0 HG22 ILE A 65 5.207 5.909 -2.645 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.742 5.142 -4.182 1.00 0.00 H new ATOM 0 HD11 ILE A 65 7.634 6.832 -7.087 1.00 0.00 H new ATOM 0 HD12 ILE A 65 7.876 7.822 -5.628 1.00 0.00 H new ATOM 0 HD13 ILE A 65 7.783 6.050 -5.495 1.00 0.00 H new ATOM 915 N GLN A 66 2.610 7.139 -2.476 1.00 0.00 N ATOM 916 CA GLN A 66 2.109 7.115 -1.107 1.00 0.00 C ATOM 917 C GLN A 66 1.637 5.716 -0.725 1.00 0.00 C ATOM 918 O GLN A 66 1.686 4.790 -1.535 1.00 0.00 O ATOM 919 CB GLN A 66 0.963 8.115 -0.943 1.00 0.00 C ATOM 920 CG GLN A 66 1.234 9.462 -1.593 1.00 0.00 C ATOM 921 CD GLN A 66 0.756 9.524 -3.031 1.00 0.00 C ATOM 922 OE1 GLN A 66 0.105 8.600 -3.520 1.00 0.00 O ATOM 923 NE2 GLN A 66 1.078 10.615 -3.715 1.00 0.00 N ATOM 0 H GLN A 66 2.085 6.556 -3.128 1.00 0.00 H new ATOM 0 HA GLN A 66 2.926 7.397 -0.443 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.056 7.689 -1.373 1.00 0.00 H new ATOM 0 HB3 GLN A 66 0.772 8.265 0.120 1.00 0.00 H new ATOM 0 HG2 GLN A 66 0.741 10.245 -1.016 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.304 9.668 -1.561 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.619 11.356 -3.269 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.784 10.713 -4.687 1.00 0.00 H new ATOM 932 N VAL A 67 1.179 5.569 0.515 1.00 0.00 N ATOM 933 CA VAL A 67 0.698 4.283 1.004 1.00 0.00 C ATOM 934 C VAL A 67 -0.529 3.823 0.225 1.00 0.00 C ATOM 935 O VAL A 67 -1.109 4.586 -0.546 1.00 0.00 O ATOM 936 CB VAL A 67 0.346 4.348 2.502 1.00 0.00 C ATOM 937 CG1 VAL A 67 1.585 4.655 3.329 1.00 0.00 C ATOM 938 CG2 VAL A 67 -0.740 5.385 2.749 1.00 0.00 C ATOM 0 H VAL A 67 1.131 6.325 1.198 1.00 0.00 H new ATOM 0 HA VAL A 67 1.507 3.567 0.859 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.035 3.375 2.811 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.317 4.697 4.385 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.329 3.873 3.174 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.999 5.615 3.021 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.977 5.418 3.813 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.388 6.365 2.425 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.634 5.116 2.187 1.00 0.00 H new ATOM 948 N ASN A 68 -0.919 2.569 0.432 1.00 0.00 N ATOM 949 CA ASN A 68 -2.078 2.006 -0.252 1.00 0.00 C ATOM 950 C ASN A 68 -1.804 1.845 -1.744 1.00 0.00 C ATOM 951 O ASN A 68 -2.716 1.939 -2.566 1.00 0.00 O ATOM 952 CB ASN A 68 -3.304 2.897 -0.040 1.00 0.00 C ATOM 953 CG ASN A 68 -3.377 3.454 1.369 1.00 0.00 C ATOM 954 OD1 ASN A 68 -2.917 2.824 2.322 1.00 0.00 O ATOM 955 ND2 ASN A 68 -3.959 4.639 1.507 1.00 0.00 N ATOM 0 H ASN A 68 -0.450 1.924 1.068 1.00 0.00 H new ATOM 0 HA ASN A 68 -2.275 1.021 0.171 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -3.278 3.721 -0.753 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -4.207 2.323 -0.248 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -4.039 5.063 2.431 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -4.326 5.125 0.689 1.00 0.00 H new ATOM 962 N ASP A 69 -0.544 1.603 -2.086 1.00 0.00 N ATOM 963 CA ASP A 69 -0.149 1.427 -3.479 1.00 0.00 C ATOM 964 C ASP A 69 0.594 0.108 -3.671 1.00 0.00 C ATOM 965 O ASP A 69 1.132 -0.458 -2.719 1.00 0.00 O ATOM 966 CB ASP A 69 0.730 2.593 -3.933 1.00 0.00 C ATOM 967 CG ASP A 69 -0.084 3.789 -4.387 1.00 0.00 C ATOM 968 OD1 ASP A 69 -0.909 4.282 -3.589 1.00 0.00 O ATOM 969 OD2 ASP A 69 0.104 4.232 -5.539 1.00 0.00 O ATOM 0 H ASP A 69 0.222 1.524 -1.418 1.00 0.00 H new ATOM 0 HA ASP A 69 -1.053 1.405 -4.087 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.384 2.892 -3.114 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.373 2.263 -4.749 1.00 0.00 H new ATOM 974 N LYS A 70 0.619 -0.376 -4.908 1.00 0.00 N ATOM 975 CA LYS A 70 1.296 -1.628 -5.226 1.00 0.00 C ATOM 976 C LYS A 70 2.427 -1.396 -6.222 1.00 0.00 C ATOM 977 O LYS A 70 2.188 -1.040 -7.376 1.00 0.00 O ATOM 978 CB LYS A 70 0.299 -2.639 -5.797 1.00 0.00 C ATOM 979 CG LYS A 70 0.652 -4.083 -5.483 1.00 0.00 C ATOM 980 CD LYS A 70 0.074 -5.035 -6.517 1.00 0.00 C ATOM 981 CE LYS A 70 1.044 -5.269 -7.664 1.00 0.00 C ATOM 982 NZ LYS A 70 1.975 -6.397 -7.382 1.00 0.00 N ATOM 0 H LYS A 70 0.178 0.080 -5.707 1.00 0.00 H new ATOM 0 HA LYS A 70 1.722 -2.027 -4.305 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -0.693 -2.422 -5.401 1.00 0.00 H new ATOM 0 HB3 LYS A 70 0.246 -2.513 -6.878 1.00 0.00 H new ATOM 0 HG2 LYS A 70 1.736 -4.195 -5.450 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.274 -4.344 -4.495 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.166 -5.987 -6.043 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.859 -4.628 -6.906 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.485 -5.479 -8.576 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.618 -4.361 -7.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.620 -6.524 -8.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.527 -6.186 -6.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 1.429 -7.270 -7.235 1.00 0.00 H new ATOM 996 N ILE A 71 3.660 -1.601 -5.769 1.00 0.00 N ATOM 997 CA ILE A 71 4.827 -1.417 -6.622 1.00 0.00 C ATOM 998 C ILE A 71 5.089 -2.656 -7.471 1.00 0.00 C ATOM 999 O ILE A 71 5.319 -3.746 -6.945 1.00 0.00 O ATOM 1000 CB ILE A 71 6.086 -1.102 -5.793 1.00 0.00 C ATOM 1001 CG1 ILE A 71 5.859 0.144 -4.935 1.00 0.00 C ATOM 1002 CG2 ILE A 71 7.288 -0.911 -6.706 1.00 0.00 C ATOM 1003 CD1 ILE A 71 5.274 -0.158 -3.573 1.00 0.00 C ATOM 0 H ILE A 71 3.876 -1.894 -4.816 1.00 0.00 H new ATOM 0 HA ILE A 71 4.610 -0.571 -7.275 1.00 0.00 H new ATOM 0 HB ILE A 71 6.287 -1.945 -5.131 1.00 0.00 H new ATOM 0 HG12 ILE A 71 6.808 0.664 -4.806 1.00 0.00 H new ATOM 0 HG13 ILE A 71 5.192 0.824 -5.465 1.00 0.00 H new ATOM 0 HG21 ILE A 71 8.170 -0.689 -6.105 1.00 0.00 H new ATOM 0 HG22 ILE A 71 7.459 -1.823 -7.278 1.00 0.00 H new ATOM 0 HG23 ILE A 71 7.098 -0.084 -7.390 1.00 0.00 H new ATOM 0 HD11 ILE A 71 5.140 0.772 -3.020 1.00 0.00 H new ATOM 0 HD12 ILE A 71 4.309 -0.651 -3.693 1.00 0.00 H new ATOM 0 HD13 ILE A 71 5.950 -0.813 -3.024 1.00 0.00 H new ATOM 1015 N VAL A 72 5.054 -2.483 -8.789 1.00 0.00 N ATOM 1016 CA VAL A 72 5.290 -3.586 -9.712 1.00 0.00 C ATOM 1017 C VAL A 72 6.709 -3.544 -10.267 1.00 0.00 C ATOM 1018 O VAL A 72 7.252 -4.564 -10.690 1.00 0.00 O ATOM 1019 CB VAL A 72 4.291 -3.561 -10.884 1.00 0.00 C ATOM 1020 CG1 VAL A 72 2.932 -4.078 -10.438 1.00 0.00 C ATOM 1021 CG2 VAL A 72 4.175 -2.156 -11.455 1.00 0.00 C ATOM 0 H VAL A 72 4.864 -1.589 -9.241 1.00 0.00 H new ATOM 0 HA VAL A 72 5.151 -4.507 -9.146 1.00 0.00 H new ATOM 0 HB VAL A 72 4.663 -4.218 -11.670 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.239 -4.053 -11.279 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.032 -5.103 -10.081 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.549 -3.449 -9.634 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.465 -2.157 -12.282 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.826 -1.475 -10.678 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.150 -1.828 -11.814 1.00 0.00 H new ATOM 1031 N ALA A 73 7.305 -2.356 -10.263 1.00 0.00 N ATOM 1032 CA ALA A 73 8.663 -2.181 -10.764 1.00 0.00 C ATOM 1033 C ALA A 73 9.341 -0.985 -10.104 1.00 0.00 C ATOM 1034 O ALA A 73 8.733 0.072 -9.936 1.00 0.00 O ATOM 1035 CB ALA A 73 8.650 -2.014 -12.276 1.00 0.00 C ATOM 0 H ALA A 73 6.869 -1.501 -9.918 1.00 0.00 H new ATOM 0 HA ALA A 73 9.235 -3.074 -10.513 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.670 -1.884 -12.637 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.212 -2.900 -12.736 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.058 -1.138 -12.540 1.00 0.00 H new ATOM 1041 N VAL A 74 10.605 -1.159 -9.731 1.00 0.00 N ATOM 1042 CA VAL A 74 11.367 -0.094 -9.090 1.00 0.00 C ATOM 1043 C VAL A 74 12.589 0.285 -9.919 1.00 0.00 C ATOM 1044 O VAL A 74 13.444 -0.555 -10.202 1.00 0.00 O ATOM 1045 CB VAL A 74 11.826 -0.504 -7.678 1.00 0.00 C ATOM 1046 CG1 VAL A 74 12.621 0.618 -7.028 1.00 0.00 C ATOM 1047 CG2 VAL A 74 10.629 -0.886 -6.819 1.00 0.00 C ATOM 0 H VAL A 74 11.123 -2.028 -9.862 1.00 0.00 H new ATOM 0 HA VAL A 74 10.703 0.767 -9.013 1.00 0.00 H new ATOM 0 HB VAL A 74 12.476 -1.375 -7.765 1.00 0.00 H new ATOM 0 HG11 VAL A 74 12.937 0.310 -6.031 1.00 0.00 H new ATOM 0 HG12 VAL A 74 13.499 0.840 -7.634 1.00 0.00 H new ATOM 0 HG13 VAL A 74 11.998 1.509 -6.952 1.00 0.00 H new ATOM 0 HG21 VAL A 74 10.971 -1.173 -5.825 1.00 0.00 H new ATOM 0 HG22 VAL A 74 9.953 -0.035 -6.738 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.104 -1.724 -7.278 1.00 0.00 H new ATOM 1057 N ASP A 75 12.665 1.553 -10.306 1.00 0.00 N ATOM 1058 CA ASP A 75 13.783 2.044 -11.102 1.00 0.00 C ATOM 1059 C ASP A 75 13.884 1.286 -12.422 1.00 0.00 C ATOM 1060 O ASP A 75 14.975 1.095 -12.958 1.00 0.00 O ATOM 1061 CB ASP A 75 15.091 1.909 -10.321 1.00 0.00 C ATOM 1062 CG ASP A 75 16.166 2.854 -10.823 1.00 0.00 C ATOM 1063 OD1 ASP A 75 16.007 4.080 -10.646 1.00 0.00 O ATOM 1064 OD2 ASP A 75 17.164 2.367 -11.394 1.00 0.00 O ATOM 0 H ASP A 75 11.965 2.260 -10.081 1.00 0.00 H new ATOM 0 HA ASP A 75 13.607 3.097 -11.321 1.00 0.00 H new ATOM 0 HB2 ASP A 75 14.902 2.106 -9.266 1.00 0.00 H new ATOM 0 HB3 ASP A 75 15.450 0.883 -10.395 1.00 0.00 H new ATOM 1069 N GLY A 76 12.739 0.855 -12.941 1.00 0.00 N ATOM 1070 CA GLY A 76 12.720 0.122 -14.193 1.00 0.00 C ATOM 1071 C GLY A 76 13.040 -1.348 -14.009 1.00 0.00 C ATOM 1072 O GLY A 76 13.384 -2.041 -14.967 1.00 0.00 O ATOM 0 H GLY A 76 11.823 1.001 -12.516 1.00 0.00 H new ATOM 0 HA2 GLY A 76 11.737 0.222 -14.654 1.00 0.00 H new ATOM 0 HA3 GLY A 76 13.441 0.564 -14.880 1.00 0.00 H new ATOM 1076 N VAL A 77 12.929 -1.826 -12.774 1.00 0.00 N ATOM 1077 CA VAL A 77 13.210 -3.223 -12.466 1.00 0.00 C ATOM 1078 C VAL A 77 11.943 -3.957 -12.041 1.00 0.00 C ATOM 1079 O VAL A 77 11.378 -3.679 -10.985 1.00 0.00 O ATOM 1080 CB VAL A 77 14.264 -3.352 -11.351 1.00 0.00 C ATOM 1081 CG1 VAL A 77 14.395 -4.800 -10.905 1.00 0.00 C ATOM 1082 CG2 VAL A 77 15.604 -2.806 -11.819 1.00 0.00 C ATOM 0 H VAL A 77 12.646 -1.266 -11.970 1.00 0.00 H new ATOM 0 HA VAL A 77 13.601 -3.676 -13.377 1.00 0.00 H new ATOM 0 HB VAL A 77 13.936 -2.762 -10.495 1.00 0.00 H new ATOM 0 HG11 VAL A 77 15.144 -4.872 -10.117 1.00 0.00 H new ATOM 0 HG12 VAL A 77 13.435 -5.152 -10.527 1.00 0.00 H new ATOM 0 HG13 VAL A 77 14.699 -5.415 -11.752 1.00 0.00 H new ATOM 0 HG21 VAL A 77 16.337 -2.905 -11.018 1.00 0.00 H new ATOM 0 HG22 VAL A 77 15.941 -3.367 -12.691 1.00 0.00 H new ATOM 0 HG23 VAL A 77 15.496 -1.754 -12.084 1.00 0.00 H new ATOM 1092 N ASN A 78 11.503 -4.897 -12.871 1.00 0.00 N ATOM 1093 CA ASN A 78 10.303 -5.673 -12.581 1.00 0.00 C ATOM 1094 C ASN A 78 10.493 -6.521 -11.328 1.00 0.00 C ATOM 1095 O ASN A 78 11.042 -7.622 -11.389 1.00 0.00 O ATOM 1096 CB ASN A 78 9.950 -6.570 -13.769 1.00 0.00 C ATOM 1097 CG ASN A 78 8.700 -7.392 -13.522 1.00 0.00 C ATOM 1098 OD1 ASN A 78 8.771 -8.604 -13.320 1.00 0.00 O ATOM 1099 ND2 ASN A 78 7.547 -6.734 -13.538 1.00 0.00 N ATOM 0 H ASN A 78 11.960 -5.140 -13.750 1.00 0.00 H new ATOM 0 HA ASN A 78 9.484 -4.976 -12.405 1.00 0.00 H new ATOM 0 HB2 ASN A 78 9.806 -5.953 -14.656 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.786 -7.238 -13.977 1.00 0.00 H new ATOM 0 HD21 ASN A 78 6.672 -7.234 -13.379 1.00 0.00 H new ATOM 0 HD22 ASN A 78 7.536 -5.729 -13.710 1.00 0.00 H new ATOM 1106 N ILE A 79 10.035 -6.003 -10.194 1.00 0.00 N ATOM 1107 CA ILE A 79 10.153 -6.713 -8.926 1.00 0.00 C ATOM 1108 C ILE A 79 8.948 -7.617 -8.689 1.00 0.00 C ATOM 1109 O ILE A 79 8.742 -8.115 -7.582 1.00 0.00 O ATOM 1110 CB ILE A 79 10.289 -5.736 -7.744 1.00 0.00 C ATOM 1111 CG1 ILE A 79 8.992 -4.946 -7.555 1.00 0.00 C ATOM 1112 CG2 ILE A 79 11.462 -4.794 -7.968 1.00 0.00 C ATOM 1113 CD1 ILE A 79 8.774 -4.473 -6.134 1.00 0.00 C ATOM 0 H ILE A 79 9.578 -5.093 -10.127 1.00 0.00 H new ATOM 0 HA ILE A 79 11.055 -7.322 -8.988 1.00 0.00 H new ATOM 0 HB ILE A 79 10.478 -6.310 -6.837 1.00 0.00 H new ATOM 0 HG12 ILE A 79 9.002 -4.082 -8.219 1.00 0.00 H new ATOM 0 HG13 ILE A 79 8.150 -5.569 -7.855 1.00 0.00 H new ATOM 0 HG21 ILE A 79 11.545 -4.109 -7.124 1.00 0.00 H new ATOM 0 HG22 ILE A 79 12.381 -5.373 -8.058 1.00 0.00 H new ATOM 0 HG23 ILE A 79 11.301 -4.224 -8.883 1.00 0.00 H new ATOM 0 HD11 ILE A 79 7.836 -3.921 -6.074 1.00 0.00 H new ATOM 0 HD12 ILE A 79 8.731 -5.334 -5.467 1.00 0.00 H new ATOM 0 HD13 ILE A 79 9.597 -3.824 -5.836 1.00 0.00 H new ATOM 1125 N GLN A 80 8.156 -7.826 -9.736 1.00 0.00 N ATOM 1126 CA GLN A 80 6.972 -8.671 -9.640 1.00 0.00 C ATOM 1127 C GLN A 80 7.354 -10.107 -9.297 1.00 0.00 C ATOM 1128 O GLN A 80 7.360 -10.982 -10.162 1.00 0.00 O ATOM 1129 CB GLN A 80 6.189 -8.639 -10.955 1.00 0.00 C ATOM 1130 CG GLN A 80 5.278 -7.430 -11.091 1.00 0.00 C ATOM 1131 CD GLN A 80 4.047 -7.718 -11.928 1.00 0.00 C ATOM 1132 OE1 GLN A 80 3.730 -8.875 -12.209 1.00 0.00 O ATOM 1133 NE2 GLN A 80 3.345 -6.666 -12.331 1.00 0.00 N ATOM 0 H GLN A 80 8.313 -7.422 -10.659 1.00 0.00 H new ATOM 0 HA GLN A 80 6.342 -8.281 -8.840 1.00 0.00 H new ATOM 0 HB2 GLN A 80 6.893 -8.649 -11.787 1.00 0.00 H new ATOM 0 HB3 GLN A 80 5.590 -9.546 -11.033 1.00 0.00 H new ATOM 0 HG2 GLN A 80 4.969 -7.099 -10.099 1.00 0.00 H new ATOM 0 HG3 GLN A 80 5.835 -6.609 -11.542 1.00 0.00 H new ATOM 0 HE21 GLN A 80 3.644 -5.725 -12.075 1.00 0.00 H new ATOM 0 HE22 GLN A 80 2.507 -6.799 -12.897 1.00 0.00 H new ATOM 1142 N GLY A 81 7.673 -10.343 -8.028 1.00 0.00 N ATOM 1143 CA GLY A 81 8.053 -11.674 -7.593 1.00 0.00 C ATOM 1144 C GLY A 81 9.194 -11.655 -6.595 1.00 0.00 C ATOM 1145 O GLY A 81 9.591 -12.697 -6.075 1.00 0.00 O ATOM 0 H GLY A 81 7.675 -9.636 -7.293 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.190 -12.166 -7.144 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.343 -12.267 -8.460 1.00 0.00 H new ATOM 1149 N PHE A 82 9.723 -10.465 -6.327 1.00 0.00 N ATOM 1150 CA PHE A 82 10.827 -10.315 -5.386 1.00 0.00 C ATOM 1151 C PHE A 82 10.330 -10.403 -3.946 1.00 0.00 C ATOM 1152 O PHE A 82 9.155 -10.674 -3.699 1.00 0.00 O ATOM 1153 CB PHE A 82 11.538 -8.979 -5.611 1.00 0.00 C ATOM 1154 CG PHE A 82 12.430 -8.970 -6.819 1.00 0.00 C ATOM 1155 CD1 PHE A 82 11.985 -9.481 -8.028 1.00 0.00 C ATOM 1156 CD2 PHE A 82 13.713 -8.452 -6.746 1.00 0.00 C ATOM 1157 CE1 PHE A 82 12.804 -9.474 -9.142 1.00 0.00 C ATOM 1158 CE2 PHE A 82 14.535 -8.443 -7.857 1.00 0.00 C ATOM 1159 CZ PHE A 82 14.081 -8.955 -9.056 1.00 0.00 C ATOM 0 H PHE A 82 9.405 -9.592 -6.748 1.00 0.00 H new ATOM 0 HA PHE A 82 11.532 -11.128 -5.559 1.00 0.00 H new ATOM 0 HB2 PHE A 82 10.791 -8.192 -5.715 1.00 0.00 H new ATOM 0 HB3 PHE A 82 12.132 -8.740 -4.729 1.00 0.00 H new ATOM 0 HD1 PHE A 82 10.988 -9.889 -8.101 1.00 0.00 H new ATOM 0 HD2 PHE A 82 14.075 -8.051 -5.811 1.00 0.00 H new ATOM 0 HE1 PHE A 82 12.445 -9.874 -10.079 1.00 0.00 H new ATOM 0 HE2 PHE A 82 15.533 -8.035 -7.787 1.00 0.00 H new ATOM 0 HZ PHE A 82 14.723 -8.950 -9.925 1.00 0.00 H new ATOM 1169 N ALA A 83 11.234 -10.173 -2.999 1.00 0.00 N ATOM 1170 CA ALA A 83 10.888 -10.225 -1.584 1.00 0.00 C ATOM 1171 C ALA A 83 11.196 -8.900 -0.895 1.00 0.00 C ATOM 1172 O ALA A 83 11.821 -8.016 -1.479 1.00 0.00 O ATOM 1173 CB ALA A 83 11.632 -11.363 -0.901 1.00 0.00 C ATOM 0 H ALA A 83 12.211 -9.949 -3.186 1.00 0.00 H new ATOM 0 HA ALA A 83 9.816 -10.406 -1.503 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.364 -11.390 0.155 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.359 -12.309 -1.369 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.706 -11.206 -0.999 1.00 0.00 H new ATOM 1179 N ASN A 84 10.753 -8.770 0.351 1.00 0.00 N ATOM 1180 CA ASN A 84 10.980 -7.552 1.120 1.00 0.00 C ATOM 1181 C ASN A 84 12.439 -7.113 1.025 1.00 0.00 C ATOM 1182 O ASN A 84 12.751 -6.086 0.423 1.00 0.00 O ATOM 1183 CB ASN A 84 10.595 -7.769 2.585 1.00 0.00 C ATOM 1184 CG ASN A 84 10.653 -6.487 3.393 1.00 0.00 C ATOM 1185 OD1 ASN A 84 11.651 -6.201 4.055 1.00 0.00 O ATOM 1186 ND2 ASN A 84 9.578 -5.708 3.344 1.00 0.00 N ATOM 0 H ASN A 84 10.235 -9.493 0.850 1.00 0.00 H new ATOM 0 HA ASN A 84 10.354 -6.765 0.700 1.00 0.00 H new ATOM 0 HB2 ASN A 84 9.588 -8.182 2.636 1.00 0.00 H new ATOM 0 HB3 ASN A 84 11.265 -8.506 3.029 1.00 0.00 H new ATOM 0 HD21 ASN A 84 9.558 -4.833 3.868 1.00 0.00 H new ATOM 0 HD22 ASN A 84 8.773 -5.985 2.782 1.00 0.00 H new ATOM 1193 N HIS A 85 13.327 -7.899 1.625 1.00 0.00 N ATOM 1194 CA HIS A 85 14.753 -7.593 1.607 1.00 0.00 C ATOM 1195 C HIS A 85 15.261 -7.450 0.176 1.00 0.00 C ATOM 1196 O HIS A 85 15.991 -6.512 -0.144 1.00 0.00 O ATOM 1197 CB HIS A 85 15.540 -8.685 2.333 1.00 0.00 C ATOM 1198 CG HIS A 85 15.267 -10.064 1.816 1.00 0.00 C ATOM 1199 ND1 HIS A 85 14.313 -10.897 2.360 1.00 0.00 N ATOM 1200 CD2 HIS A 85 15.829 -10.754 0.796 1.00 0.00 C ATOM 1201 CE1 HIS A 85 14.301 -12.040 1.699 1.00 0.00 C ATOM 1202 NE2 HIS A 85 15.211 -11.979 0.744 1.00 0.00 N ATOM 0 H HIS A 85 13.085 -8.752 2.129 1.00 0.00 H new ATOM 0 HA HIS A 85 14.902 -6.644 2.123 1.00 0.00 H new ATOM 0 HB2 HIS A 85 16.606 -8.476 2.241 1.00 0.00 H new ATOM 0 HB3 HIS A 85 15.299 -8.650 3.395 1.00 0.00 H new ATOM 0 HD2 HIS A 85 16.617 -10.406 0.144 1.00 0.00 H new ATOM 0 HE1 HIS A 85 13.656 -12.882 1.904 1.00 0.00 H new ATOM 0 HE2 HIS A 85 15.421 -12.721 0.076 1.00 0.00 H new ATOM 1211 N ASP A 86 14.870 -8.387 -0.681 1.00 0.00 N ATOM 1212 CA ASP A 86 15.285 -8.365 -2.079 1.00 0.00 C ATOM 1213 C ASP A 86 14.865 -7.062 -2.751 1.00 0.00 C ATOM 1214 O ASP A 86 15.538 -6.574 -3.659 1.00 0.00 O ATOM 1215 CB ASP A 86 14.686 -9.556 -2.830 1.00 0.00 C ATOM 1216 CG ASP A 86 15.624 -10.747 -2.868 1.00 0.00 C ATOM 1217 OD1 ASP A 86 16.817 -10.553 -3.182 1.00 0.00 O ATOM 1218 OD2 ASP A 86 15.164 -11.873 -2.585 1.00 0.00 O ATOM 0 H ASP A 86 14.267 -9.171 -0.432 1.00 0.00 H new ATOM 0 HA ASP A 86 16.372 -8.435 -2.110 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.750 -9.849 -2.354 1.00 0.00 H new ATOM 0 HB3 ASP A 86 14.444 -9.255 -3.849 1.00 0.00 H new ATOM 1223 N VAL A 87 13.748 -6.502 -2.298 1.00 0.00 N ATOM 1224 CA VAL A 87 13.238 -5.255 -2.855 1.00 0.00 C ATOM 1225 C VAL A 87 13.951 -4.051 -2.250 1.00 0.00 C ATOM 1226 O VAL A 87 14.149 -3.034 -2.914 1.00 0.00 O ATOM 1227 CB VAL A 87 11.722 -5.113 -2.618 1.00 0.00 C ATOM 1228 CG1 VAL A 87 11.256 -3.708 -2.971 1.00 0.00 C ATOM 1229 CG2 VAL A 87 10.958 -6.154 -3.422 1.00 0.00 C ATOM 0 H VAL A 87 13.179 -6.892 -1.547 1.00 0.00 H new ATOM 0 HA VAL A 87 13.429 -5.286 -3.928 1.00 0.00 H new ATOM 0 HB VAL A 87 11.519 -5.283 -1.561 1.00 0.00 H new ATOM 0 HG11 VAL A 87 10.183 -3.626 -2.797 1.00 0.00 H new ATOM 0 HG12 VAL A 87 11.781 -2.983 -2.348 1.00 0.00 H new ATOM 0 HG13 VAL A 87 11.470 -3.507 -4.021 1.00 0.00 H new ATOM 0 HG21 VAL A 87 9.889 -6.039 -3.243 1.00 0.00 H new ATOM 0 HG22 VAL A 87 11.165 -6.018 -4.483 1.00 0.00 H new ATOM 0 HG23 VAL A 87 11.272 -7.152 -3.117 1.00 0.00 H new ATOM 1239 N VAL A 88 14.335 -4.173 -0.983 1.00 0.00 N ATOM 1240 CA VAL A 88 15.028 -3.095 -0.287 1.00 0.00 C ATOM 1241 C VAL A 88 16.362 -2.779 -0.954 1.00 0.00 C ATOM 1242 O VAL A 88 16.690 -1.616 -1.186 1.00 0.00 O ATOM 1243 CB VAL A 88 15.276 -3.449 1.191 1.00 0.00 C ATOM 1244 CG1 VAL A 88 16.063 -2.345 1.880 1.00 0.00 C ATOM 1245 CG2 VAL A 88 13.958 -3.702 1.907 1.00 0.00 C ATOM 0 H VAL A 88 14.178 -5.007 -0.418 1.00 0.00 H new ATOM 0 HA VAL A 88 14.383 -2.218 -0.339 1.00 0.00 H new ATOM 0 HB VAL A 88 15.867 -4.364 1.233 1.00 0.00 H new ATOM 0 HG11 VAL A 88 16.228 -2.613 2.923 1.00 0.00 H new ATOM 0 HG12 VAL A 88 17.024 -2.217 1.381 1.00 0.00 H new ATOM 0 HG13 VAL A 88 15.501 -1.412 1.830 1.00 0.00 H new ATOM 0 HG21 VAL A 88 14.153 -3.951 2.950 1.00 0.00 H new ATOM 0 HG22 VAL A 88 13.339 -2.806 1.857 1.00 0.00 H new ATOM 0 HG23 VAL A 88 13.437 -4.531 1.428 1.00 0.00 H new ATOM 1255 N GLU A 89 17.127 -3.822 -1.259 1.00 0.00 N ATOM 1256 CA GLU A 89 18.426 -3.655 -1.899 1.00 0.00 C ATOM 1257 C GLU A 89 18.278 -2.989 -3.265 1.00 0.00 C ATOM 1258 O GLU A 89 19.159 -2.251 -3.706 1.00 0.00 O ATOM 1259 CB GLU A 89 19.122 -5.009 -2.053 1.00 0.00 C ATOM 1260 CG GLU A 89 18.532 -5.875 -3.153 1.00 0.00 C ATOM 1261 CD GLU A 89 19.520 -6.897 -3.684 1.00 0.00 C ATOM 1262 OE1 GLU A 89 20.128 -7.614 -2.863 1.00 0.00 O ATOM 1263 OE2 GLU A 89 19.684 -6.978 -4.919 1.00 0.00 O ATOM 0 H GLU A 89 16.870 -4.791 -1.073 1.00 0.00 H new ATOM 0 HA GLU A 89 19.035 -3.012 -1.264 1.00 0.00 H new ATOM 0 HB2 GLU A 89 20.179 -4.843 -2.260 1.00 0.00 H new ATOM 0 HB3 GLU A 89 19.063 -5.548 -1.107 1.00 0.00 H new ATOM 0 HG2 GLU A 89 17.651 -6.391 -2.771 1.00 0.00 H new ATOM 0 HG3 GLU A 89 18.198 -5.238 -3.972 1.00 0.00 H new ATOM 1270 N VAL A 90 17.159 -3.257 -3.929 1.00 0.00 N ATOM 1271 CA VAL A 90 16.894 -2.684 -5.243 1.00 0.00 C ATOM 1272 C VAL A 90 16.777 -1.166 -5.168 1.00 0.00 C ATOM 1273 O VAL A 90 17.289 -0.449 -6.029 1.00 0.00 O ATOM 1274 CB VAL A 90 15.602 -3.257 -5.856 1.00 0.00 C ATOM 1275 CG1 VAL A 90 15.252 -2.528 -7.144 1.00 0.00 C ATOM 1276 CG2 VAL A 90 15.748 -4.751 -6.102 1.00 0.00 C ATOM 0 H VAL A 90 16.421 -3.868 -3.579 1.00 0.00 H new ATOM 0 HA VAL A 90 17.738 -2.950 -5.879 1.00 0.00 H new ATOM 0 HB VAL A 90 14.786 -3.105 -5.149 1.00 0.00 H new ATOM 0 HG11 VAL A 90 14.337 -2.947 -7.562 1.00 0.00 H new ATOM 0 HG12 VAL A 90 15.103 -1.469 -6.934 1.00 0.00 H new ATOM 0 HG13 VAL A 90 16.065 -2.645 -7.861 1.00 0.00 H new ATOM 0 HG21 VAL A 90 14.827 -5.140 -6.535 1.00 0.00 H new ATOM 0 HG22 VAL A 90 16.575 -4.927 -6.790 1.00 0.00 H new ATOM 0 HG23 VAL A 90 15.947 -5.258 -5.158 1.00 0.00 H new ATOM 1286 N LEU A 91 16.100 -0.681 -4.133 1.00 0.00 N ATOM 1287 CA LEU A 91 15.916 0.754 -3.943 1.00 0.00 C ATOM 1288 C LEU A 91 17.247 1.440 -3.650 1.00 0.00 C ATOM 1289 O LEU A 91 17.556 2.486 -4.221 1.00 0.00 O ATOM 1290 CB LEU A 91 14.932 1.015 -2.801 1.00 0.00 C ATOM 1291 CG LEU A 91 13.627 0.219 -2.844 1.00 0.00 C ATOM 1292 CD1 LEU A 91 12.981 0.179 -1.468 1.00 0.00 C ATOM 1293 CD2 LEU A 91 12.672 0.817 -3.867 1.00 0.00 C ATOM 0 H LEU A 91 15.669 -1.260 -3.412 1.00 0.00 H new ATOM 0 HA LEU A 91 15.510 1.169 -4.866 1.00 0.00 H new ATOM 0 HB2 LEU A 91 15.435 0.799 -1.858 1.00 0.00 H new ATOM 0 HB3 LEU A 91 14.686 2.077 -2.795 1.00 0.00 H new ATOM 0 HG LEU A 91 13.856 -0.803 -3.145 1.00 0.00 H new ATOM 0 HD11 LEU A 91 12.054 -0.392 -1.518 1.00 0.00 H new ATOM 0 HD12 LEU A 91 13.661 -0.295 -0.760 1.00 0.00 H new ATOM 0 HD13 LEU A 91 12.765 1.195 -1.138 1.00 0.00 H new ATOM 0 HD21 LEU A 91 11.749 0.238 -3.884 1.00 0.00 H new ATOM 0 HD22 LEU A 91 12.448 1.849 -3.596 1.00 0.00 H new ATOM 0 HD23 LEU A 91 13.134 0.793 -4.854 1.00 0.00 H new ATOM 1305 N ARG A 92 18.031 0.842 -2.759 1.00 0.00 N ATOM 1306 CA ARG A 92 19.329 1.395 -2.391 1.00 0.00 C ATOM 1307 C ARG A 92 20.242 1.496 -3.609 1.00 0.00 C ATOM 1308 O ARG A 92 20.919 2.503 -3.808 1.00 0.00 O ATOM 1309 CB ARG A 92 19.989 0.531 -1.315 1.00 0.00 C ATOM 1310 CG ARG A 92 19.146 0.371 -0.060 1.00 0.00 C ATOM 1311 CD ARG A 92 19.714 -0.698 0.860 1.00 0.00 C ATOM 1312 NE ARG A 92 19.288 -0.512 2.244 1.00 0.00 N ATOM 1313 CZ ARG A 92 19.791 0.418 3.048 1.00 0.00 C ATOM 1314 NH1 ARG A 92 20.731 1.242 2.608 1.00 0.00 N ATOM 1315 NH2 ARG A 92 19.352 0.526 4.296 1.00 0.00 N ATOM 0 H ARG A 92 17.790 -0.025 -2.279 1.00 0.00 H new ATOM 0 HA ARG A 92 19.169 2.398 -1.994 1.00 0.00 H new ATOM 0 HB2 ARG A 92 20.198 -0.455 -1.730 1.00 0.00 H new ATOM 0 HB3 ARG A 92 20.948 0.972 -1.044 1.00 0.00 H new ATOM 0 HG2 ARG A 92 19.098 1.322 0.471 1.00 0.00 H new ATOM 0 HG3 ARG A 92 18.125 0.109 -0.337 1.00 0.00 H new ATOM 0 HD2 ARG A 92 19.397 -1.681 0.512 1.00 0.00 H new ATOM 0 HD3 ARG A 92 20.803 -0.678 0.810 1.00 0.00 H new ATOM 0 HE ARG A 92 18.565 -1.130 2.613 1.00 0.00 H new ATOM 0 HH11 ARG A 92 21.070 1.163 1.649 1.00 0.00 H new ATOM 0 HH12 ARG A 92 21.115 1.955 3.228 1.00 0.00 H new ATOM 0 HH21 ARG A 92 18.628 -0.105 4.638 1.00 0.00 H new ATOM 0 HH22 ARG A 92 19.739 1.240 4.913 1.00 0.00 H new ATOM 1329 N ASN A 93 20.255 0.443 -4.421 1.00 0.00 N ATOM 1330 CA ASN A 93 21.086 0.412 -5.619 1.00 0.00 C ATOM 1331 C ASN A 93 20.717 1.550 -6.567 1.00 0.00 C ATOM 1332 O ASN A 93 21.578 2.115 -7.239 1.00 0.00 O ATOM 1333 CB ASN A 93 20.935 -0.932 -6.335 1.00 0.00 C ATOM 1334 CG ASN A 93 21.870 -1.990 -5.780 1.00 0.00 C ATOM 1335 OD1 ASN A 93 23.077 -1.954 -6.018 1.00 0.00 O ATOM 1336 ND2 ASN A 93 21.314 -2.939 -5.037 1.00 0.00 N ATOM 0 H ASN A 93 19.700 -0.399 -4.271 1.00 0.00 H new ATOM 0 HA ASN A 93 22.125 0.539 -5.314 1.00 0.00 H new ATOM 0 HB2 ASN A 93 19.905 -1.276 -6.243 1.00 0.00 H new ATOM 0 HB3 ASN A 93 21.132 -0.798 -7.399 1.00 0.00 H new ATOM 0 HD21 ASN A 93 21.892 -3.678 -4.637 1.00 0.00 H new ATOM 0 HD22 ASN A 93 20.309 -2.929 -4.866 1.00 0.00 H new ATOM 1343 N ALA A 94 19.430 1.879 -6.613 1.00 0.00 N ATOM 1344 CA ALA A 94 18.947 2.951 -7.476 1.00 0.00 C ATOM 1345 C ALA A 94 19.670 4.260 -7.182 1.00 0.00 C ATOM 1346 O ALA A 94 20.015 4.548 -6.037 1.00 0.00 O ATOM 1347 CB ALA A 94 17.445 3.126 -7.308 1.00 0.00 C ATOM 0 H ALA A 94 18.704 1.419 -6.064 1.00 0.00 H new ATOM 0 HA ALA A 94 19.157 2.675 -8.509 1.00 0.00 H new ATOM 0 HB1 ALA A 94 17.097 3.929 -7.958 1.00 0.00 H new ATOM 0 HB2 ALA A 94 16.939 2.198 -7.575 1.00 0.00 H new ATOM 0 HB3 ALA A 94 17.222 3.376 -6.271 1.00 0.00 H new ATOM 1353 N GLY A 95 19.899 5.052 -8.226 1.00 0.00 N ATOM 1354 CA GLY A 95 20.582 6.321 -8.059 1.00 0.00 C ATOM 1355 C GLY A 95 19.619 7.478 -7.877 1.00 0.00 C ATOM 1356 O GLY A 95 18.466 7.278 -7.496 1.00 0.00 O ATOM 0 H GLY A 95 19.623 4.837 -9.184 1.00 0.00 H new ATOM 0 HA2 GLY A 95 21.243 6.263 -7.194 1.00 0.00 H new ATOM 0 HA3 GLY A 95 21.211 6.509 -8.929 1.00 0.00 H new ATOM 1360 N GLN A 96 20.094 8.689 -8.147 1.00 0.00 N ATOM 1361 CA GLN A 96 19.266 9.882 -8.008 1.00 0.00 C ATOM 1362 C GLN A 96 17.912 9.687 -8.682 1.00 0.00 C ATOM 1363 O GLN A 96 16.871 9.712 -8.026 1.00 0.00 O ATOM 1364 CB GLN A 96 19.978 11.095 -8.609 1.00 0.00 C ATOM 1365 CG GLN A 96 19.343 12.423 -8.230 1.00 0.00 C ATOM 1366 CD GLN A 96 20.305 13.588 -8.357 1.00 0.00 C ATOM 1367 OE1 GLN A 96 20.732 13.938 -9.458 1.00 0.00 O ATOM 1368 NE2 GLN A 96 20.652 14.195 -7.229 1.00 0.00 N ATOM 0 H GLN A 96 21.047 8.871 -8.463 1.00 0.00 H new ATOM 0 HA GLN A 96 19.100 10.056 -6.945 1.00 0.00 H new ATOM 0 HB2 GLN A 96 21.018 11.093 -8.284 1.00 0.00 H new ATOM 0 HB3 GLN A 96 19.984 11.001 -9.695 1.00 0.00 H new ATOM 0 HG2 GLN A 96 18.476 12.602 -8.866 1.00 0.00 H new ATOM 0 HG3 GLN A 96 18.979 12.368 -7.204 1.00 0.00 H new ATOM 0 HE21 GLN A 96 20.274 13.872 -6.339 1.00 0.00 H new ATOM 0 HE22 GLN A 96 21.297 14.985 -7.252 1.00 0.00 H new ATOM 1377 N VAL A 97 17.933 9.492 -9.997 1.00 0.00 N ATOM 1378 CA VAL A 97 16.707 9.292 -10.760 1.00 0.00 C ATOM 1379 C VAL A 97 16.112 7.914 -10.491 1.00 0.00 C ATOM 1380 O VAL A 97 16.547 6.915 -11.064 1.00 0.00 O ATOM 1381 CB VAL A 97 16.956 9.445 -12.272 1.00 0.00 C ATOM 1382 CG1 VAL A 97 15.675 9.193 -13.052 1.00 0.00 C ATOM 1383 CG2 VAL A 97 17.516 10.825 -12.582 1.00 0.00 C ATOM 0 H VAL A 97 18.786 9.468 -10.556 1.00 0.00 H new ATOM 0 HA VAL A 97 16.003 10.059 -10.436 1.00 0.00 H new ATOM 0 HB VAL A 97 17.692 8.702 -12.579 1.00 0.00 H new ATOM 0 HG11 VAL A 97 15.870 9.306 -14.118 1.00 0.00 H new ATOM 0 HG12 VAL A 97 15.321 8.182 -12.853 1.00 0.00 H new ATOM 0 HG13 VAL A 97 14.915 9.911 -12.745 1.00 0.00 H new ATOM 0 HG21 VAL A 97 17.686 10.916 -13.655 1.00 0.00 H new ATOM 0 HG22 VAL A 97 16.805 11.587 -12.261 1.00 0.00 H new ATOM 0 HG23 VAL A 97 18.459 10.963 -12.052 1.00 0.00 H new ATOM 1393 N VAL A 98 15.112 7.868 -9.616 1.00 0.00 N ATOM 1394 CA VAL A 98 14.455 6.613 -9.272 1.00 0.00 C ATOM 1395 C VAL A 98 13.057 6.541 -9.877 1.00 0.00 C ATOM 1396 O VAL A 98 12.121 7.170 -9.382 1.00 0.00 O ATOM 1397 CB VAL A 98 14.351 6.434 -7.746 1.00 0.00 C ATOM 1398 CG1 VAL A 98 13.555 5.182 -7.408 1.00 0.00 C ATOM 1399 CG2 VAL A 98 15.737 6.379 -7.121 1.00 0.00 C ATOM 0 H VAL A 98 14.740 8.685 -9.133 1.00 0.00 H new ATOM 0 HA VAL A 98 15.068 5.811 -9.684 1.00 0.00 H new ATOM 0 HB VAL A 98 13.824 7.293 -7.332 1.00 0.00 H new ATOM 0 HG11 VAL A 98 13.492 5.072 -6.325 1.00 0.00 H new ATOM 0 HG12 VAL A 98 12.551 5.266 -7.823 1.00 0.00 H new ATOM 0 HG13 VAL A 98 14.051 4.310 -7.833 1.00 0.00 H new ATOM 0 HG21 VAL A 98 15.645 6.252 -6.042 1.00 0.00 H new ATOM 0 HG22 VAL A 98 16.292 5.539 -7.539 1.00 0.00 H new ATOM 0 HG23 VAL A 98 16.269 7.306 -7.333 1.00 0.00 H new ATOM 1409 N HIS A 99 12.922 5.769 -10.951 1.00 0.00 N ATOM 1410 CA HIS A 99 11.638 5.613 -11.624 1.00 0.00 C ATOM 1411 C HIS A 99 10.853 4.446 -11.033 1.00 0.00 C ATOM 1412 O HIS A 99 11.196 3.282 -11.247 1.00 0.00 O ATOM 1413 CB HIS A 99 11.846 5.397 -13.123 1.00 0.00 C ATOM 1414 CG HIS A 99 11.963 6.671 -13.902 1.00 0.00 C ATOM 1415 ND1 HIS A 99 13.044 6.965 -14.706 1.00 0.00 N ATOM 1416 CD2 HIS A 99 11.125 7.729 -13.998 1.00 0.00 C ATOM 1417 CE1 HIS A 99 12.867 8.150 -15.261 1.00 0.00 C ATOM 1418 NE2 HIS A 99 11.709 8.635 -14.849 1.00 0.00 N ATOM 0 H HIS A 99 13.686 5.242 -11.373 1.00 0.00 H new ATOM 0 HA HIS A 99 11.064 6.527 -11.473 1.00 0.00 H new ATOM 0 HB2 HIS A 99 12.748 4.804 -13.274 1.00 0.00 H new ATOM 0 HB3 HIS A 99 11.013 4.815 -13.517 1.00 0.00 H new ATOM 0 HD1 HIS A 99 13.854 6.362 -14.850 1.00 0.00 H new ATOM 0 HD2 HIS A 99 10.174 7.840 -13.498 1.00 0.00 H new ATOM 0 HE1 HIS A 99 13.552 8.640 -15.937 1.00 0.00 H new ATOM 1427 N LEU A 100 9.799 4.763 -10.290 1.00 0.00 N ATOM 1428 CA LEU A 100 8.966 3.741 -9.667 1.00 0.00 C ATOM 1429 C LEU A 100 7.785 3.381 -10.563 1.00 0.00 C ATOM 1430 O LEU A 100 7.367 4.174 -11.407 1.00 0.00 O ATOM 1431 CB LEU A 100 8.460 4.225 -8.307 1.00 0.00 C ATOM 1432 CG LEU A 100 7.771 3.175 -7.434 1.00 0.00 C ATOM 1433 CD1 LEU A 100 8.657 1.949 -7.274 1.00 0.00 C ATOM 1434 CD2 LEU A 100 7.417 3.760 -6.075 1.00 0.00 C ATOM 0 H LEU A 100 9.501 5.721 -10.104 1.00 0.00 H new ATOM 0 HA LEU A 100 9.576 2.849 -9.524 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.305 4.632 -7.752 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.762 5.045 -8.473 1.00 0.00 H new ATOM 0 HG LEU A 100 6.848 2.869 -7.927 1.00 0.00 H new ATOM 0 HD11 LEU A 100 8.150 1.213 -6.650 1.00 0.00 H new ATOM 0 HD12 LEU A 100 8.860 1.516 -8.254 1.00 0.00 H new ATOM 0 HD13 LEU A 100 9.597 2.238 -6.804 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.928 2.999 -5.467 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.326 4.094 -5.575 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.743 4.607 -6.208 1.00 0.00 H new ATOM 1446 N THR A 101 7.248 2.180 -10.372 1.00 0.00 N ATOM 1447 CA THR A 101 6.114 1.715 -11.162 1.00 0.00 C ATOM 1448 C THR A 101 4.986 1.219 -10.265 1.00 0.00 C ATOM 1449 O THR A 101 5.016 0.086 -9.782 1.00 0.00 O ATOM 1450 CB THR A 101 6.525 0.585 -12.124 1.00 0.00 C ATOM 1451 OG1 THR A 101 7.811 0.865 -12.689 1.00 0.00 O ATOM 1452 CG2 THR A 101 5.501 0.423 -13.237 1.00 0.00 C ATOM 0 H THR A 101 7.580 1.511 -9.677 1.00 0.00 H new ATOM 0 HA THR A 101 5.763 2.567 -11.744 1.00 0.00 H new ATOM 0 HB THR A 101 6.573 -0.345 -11.557 1.00 0.00 H new ATOM 0 HG1 THR A 101 8.503 0.741 -12.006 1.00 0.00 H new ATOM 0 HG21 THR A 101 5.813 -0.381 -13.904 1.00 0.00 H new ATOM 0 HG22 THR A 101 4.530 0.180 -12.805 1.00 0.00 H new ATOM 0 HG23 THR A 101 5.426 1.353 -13.800 1.00 0.00 H new ATOM 1460 N LEU A 102 3.992 2.072 -10.045 1.00 0.00 N ATOM 1461 CA LEU A 102 2.852 1.719 -9.205 1.00 0.00 C ATOM 1462 C LEU A 102 1.557 1.740 -10.010 1.00 0.00 C ATOM 1463 O LEU A 102 1.408 2.524 -10.947 1.00 0.00 O ATOM 1464 CB LEU A 102 2.748 2.683 -8.022 1.00 0.00 C ATOM 1465 CG LEU A 102 4.068 3.247 -7.497 1.00 0.00 C ATOM 1466 CD1 LEU A 102 4.562 4.373 -8.393 1.00 0.00 C ATOM 1467 CD2 LEU A 102 3.908 3.735 -6.065 1.00 0.00 C ATOM 0 H LEU A 102 3.952 3.013 -10.436 1.00 0.00 H new ATOM 0 HA LEU A 102 3.007 0.708 -8.828 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.110 3.517 -8.314 1.00 0.00 H new ATOM 0 HB3 LEU A 102 2.245 2.169 -7.203 1.00 0.00 H new ATOM 0 HG LEU A 102 4.811 2.449 -7.507 1.00 0.00 H new ATOM 0 HD11 LEU A 102 5.503 4.762 -8.003 1.00 0.00 H new ATOM 0 HD12 LEU A 102 4.717 3.993 -9.403 1.00 0.00 H new ATOM 0 HD13 LEU A 102 3.821 5.172 -8.416 1.00 0.00 H new ATOM 0 HD21 LEU A 102 4.858 4.133 -5.708 1.00 0.00 H new ATOM 0 HD22 LEU A 102 3.150 4.518 -6.030 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.601 2.904 -5.430 1.00 0.00 H new ATOM 1479 N VAL A 103 0.620 0.875 -9.635 1.00 0.00 N ATOM 1480 CA VAL A 103 -0.665 0.796 -10.320 1.00 0.00 C ATOM 1481 C VAL A 103 -1.821 0.888 -9.330 1.00 0.00 C ATOM 1482 O VAL A 103 -2.071 -0.043 -8.564 1.00 0.00 O ATOM 1483 CB VAL A 103 -0.794 -0.512 -11.123 1.00 0.00 C ATOM 1484 CG1 VAL A 103 -0.300 -1.693 -10.303 1.00 0.00 C ATOM 1485 CG2 VAL A 103 -2.234 -0.724 -11.566 1.00 0.00 C ATOM 0 H VAL A 103 0.727 0.219 -8.861 1.00 0.00 H new ATOM 0 HA VAL A 103 -0.710 1.641 -11.007 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.171 -0.434 -12.014 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.399 -2.608 -10.887 1.00 0.00 H new ATOM 0 HG12 VAL A 103 0.747 -1.541 -10.041 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.893 -1.777 -9.393 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -2.308 -1.653 -12.132 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.880 -0.781 -10.690 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -2.548 0.110 -12.194 1.00 0.00 H new ATOM 1495 N ARG A 104 -2.524 2.016 -9.351 1.00 0.00 N ATOM 1496 CA ARG A 104 -3.654 2.229 -8.455 1.00 0.00 C ATOM 1497 C ARG A 104 -4.972 2.181 -9.222 1.00 0.00 C ATOM 1498 O ARG A 104 -4.988 2.212 -10.452 1.00 0.00 O ATOM 1499 CB ARG A 104 -3.517 3.574 -7.739 1.00 0.00 C ATOM 1500 CG ARG A 104 -3.731 4.773 -8.648 1.00 0.00 C ATOM 1501 CD ARG A 104 -3.356 6.073 -7.954 1.00 0.00 C ATOM 1502 NE ARG A 104 -4.415 6.543 -7.065 1.00 0.00 N ATOM 1503 CZ ARG A 104 -5.499 7.185 -7.488 1.00 0.00 C ATOM 1504 NH1 ARG A 104 -5.665 7.431 -8.780 1.00 0.00 N ATOM 1505 NH2 ARG A 104 -6.419 7.582 -6.617 1.00 0.00 N ATOM 0 H ARG A 104 -2.331 2.796 -9.979 1.00 0.00 H new ATOM 0 HA ARG A 104 -3.655 1.429 -7.715 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -4.237 3.616 -6.921 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -2.524 3.639 -7.293 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -3.133 4.657 -9.552 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -4.775 4.813 -8.959 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -2.440 5.927 -7.382 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -3.146 6.836 -8.703 1.00 0.00 H new ATOM 0 HE ARG A 104 -4.317 6.369 -6.065 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -4.960 7.127 -9.452 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -6.498 7.924 -9.102 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -6.294 7.394 -5.622 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -7.251 8.075 -6.943 1.00 0.00 H new ATOM 1519 N ARG A 105 -6.076 2.106 -8.486 1.00 0.00 N ATOM 1520 CA ARG A 105 -7.399 2.052 -9.096 1.00 0.00 C ATOM 1521 C ARG A 105 -7.775 3.401 -9.701 1.00 0.00 C ATOM 1522 O ARG A 105 -7.836 4.412 -9.000 1.00 0.00 O ATOM 1523 CB ARG A 105 -8.445 1.636 -8.060 1.00 0.00 C ATOM 1524 CG ARG A 105 -9.793 1.278 -8.665 1.00 0.00 C ATOM 1525 CD ARG A 105 -10.521 0.238 -7.828 1.00 0.00 C ATOM 1526 NE ARG A 105 -11.207 0.837 -6.686 1.00 0.00 N ATOM 1527 CZ ARG A 105 -11.619 0.145 -5.630 1.00 0.00 C ATOM 1528 NH1 ARG A 105 -11.414 -1.164 -5.570 1.00 0.00 N ATOM 1529 NH2 ARG A 105 -12.236 0.762 -4.630 1.00 0.00 N ATOM 0 H ARG A 105 -6.080 2.081 -7.466 1.00 0.00 H new ATOM 0 HA ARG A 105 -7.373 1.310 -9.894 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -8.069 0.780 -7.500 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -8.581 2.449 -7.347 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -10.406 2.175 -8.746 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -9.650 0.897 -9.676 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -11.245 -0.287 -8.451 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -9.808 -0.506 -7.473 1.00 0.00 H new ATOM 0 HE ARG A 105 -11.379 1.842 -6.700 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -10.939 -1.641 -6.336 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -11.731 -1.693 -4.758 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -12.394 1.769 -4.672 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -12.552 0.229 -3.820 1.00 0.00 H new ATOM 1543 N LYS A 106 -8.024 3.410 -11.005 1.00 0.00 N ATOM 1544 CA LYS A 106 -8.394 4.634 -11.706 1.00 0.00 C ATOM 1545 C LYS A 106 -9.544 5.341 -10.995 1.00 0.00 C ATOM 1546 O LYS A 106 -9.503 6.553 -10.779 1.00 0.00 O ATOM 1547 CB LYS A 106 -8.790 4.320 -13.150 1.00 0.00 C ATOM 1548 CG LYS A 106 -7.715 3.582 -13.929 1.00 0.00 C ATOM 1549 CD LYS A 106 -8.316 2.690 -15.002 1.00 0.00 C ATOM 1550 CE LYS A 106 -7.405 2.585 -16.215 1.00 0.00 C ATOM 1551 NZ LYS A 106 -7.600 3.724 -17.155 1.00 0.00 N ATOM 0 H LYS A 106 -7.976 2.582 -11.599 1.00 0.00 H new ATOM 0 HA LYS A 106 -7.529 5.297 -11.709 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -9.700 3.720 -13.146 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -9.024 5.252 -13.664 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -7.039 4.302 -14.390 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -7.119 2.978 -13.245 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -8.494 1.696 -14.592 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.284 3.087 -15.306 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -6.366 2.558 -15.887 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -7.600 1.647 -16.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -6.961 3.616 -17.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -8.585 3.735 -17.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -7.390 4.618 -16.666 1.00 0.00 H new