USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=14 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 62 ASN :FLIP amide:sc= -2.82 F(o=-4.6!,f=-2.8) USER MOD Set 1.2: A 64 HIS :FLIP no HD1:sc= 0 F(o=-4.2,f=-2.8) USER MOD Set 2.1: A 27 GLN :FLIP amide:sc= -1.13 F(o=-3.8,f=-1.3) USER MOD Set 2.2: A 61 HIS : no HD1:sc= -0.156 X(o=-1.3,f=-1.6) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.22 USER MOD Single : A 17 TYR OH : rot -171:sc= -0.157 USER MOD Single : A 18 ASN : amide:sc= -0.722 X(o=-0.72,f=-0.23) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -0:sc= 0.804 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 41:sc= 1.08 USER MOD Single : A 57 SER OG : rot -75:sc= 1.22 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -4.9! C(o=-4.9!,f=-7.5!) USER MOD Single : A 68 ASN : amide:sc= -0.16 K(o=-0.16,f=-1.6) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.847 K(o=-0.85,f=-3!) USER MOD Single : A 80 GLN :FLIP amide:sc= -0.649 F(o=-1.4,f=-0.65) USER MOD Single : A 84 ASN : amide:sc= -3! C(o=-3!,f=-5.6!) USER MOD Single : A 85 HIS : no HD1:sc= -0.6 K(o=-0.6,f=-1.6) USER MOD Single : A 93 ASN : amide:sc= -0.527! X(o=-0.53!,f=-0.88) USER MOD Single : A 96 GLN : amide:sc= 0.45 K(o=0.45,f=-0.083) USER MOD Single : A 99 HIS : no HD1:sc= -2.63! C(o=-2.6!,f=-3!) USER MOD Single : A 101 THR OG1 : rot 80:sc= -0.301 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 118 N LEU A 13 -8.737 -1.521 -15.051 1.00 0.00 N ATOM 119 CA LEU A 13 -9.313 -0.797 -13.923 1.00 0.00 C ATOM 120 C LEU A 13 -8.258 0.056 -13.227 1.00 0.00 C ATOM 121 O LEU A 13 -8.572 1.083 -12.626 1.00 0.00 O ATOM 122 CB LEU A 13 -9.932 -1.778 -12.925 1.00 0.00 C ATOM 123 CG LEU A 13 -10.949 -2.766 -13.498 1.00 0.00 C ATOM 124 CD1 LEU A 13 -11.187 -3.910 -12.525 1.00 0.00 C ATOM 125 CD2 LEU A 13 -12.257 -2.057 -13.821 1.00 0.00 C ATOM 0 HA LEU A 13 -10.092 -0.137 -14.306 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.127 -2.346 -12.458 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -10.418 -1.204 -12.136 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.545 -3.180 -14.422 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -11.913 -4.603 -12.949 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.249 -4.434 -12.343 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -11.570 -3.514 -11.584 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -12.969 -2.775 -14.228 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -12.666 -1.616 -12.912 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -12.074 -1.272 -14.555 1.00 0.00 H new ATOM 137 N PHE A 14 -7.004 -0.376 -13.314 1.00 0.00 N ATOM 138 CA PHE A 14 -5.901 0.349 -12.693 1.00 0.00 C ATOM 139 C PHE A 14 -4.994 0.970 -13.752 1.00 0.00 C ATOM 140 O PHE A 14 -4.967 0.525 -14.899 1.00 0.00 O ATOM 141 CB PHE A 14 -5.089 -0.586 -11.795 1.00 0.00 C ATOM 142 CG PHE A 14 -5.938 -1.483 -10.941 1.00 0.00 C ATOM 143 CD1 PHE A 14 -6.423 -2.681 -11.439 1.00 0.00 C ATOM 144 CD2 PHE A 14 -6.250 -1.129 -9.638 1.00 0.00 C ATOM 145 CE1 PHE A 14 -7.205 -3.508 -10.655 1.00 0.00 C ATOM 146 CE2 PHE A 14 -7.032 -1.951 -8.849 1.00 0.00 C ATOM 147 CZ PHE A 14 -7.509 -3.143 -9.358 1.00 0.00 C ATOM 0 H PHE A 14 -6.726 -1.224 -13.808 1.00 0.00 H new ATOM 0 HA PHE A 14 -6.322 1.150 -12.085 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.438 -1.200 -12.417 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.444 0.011 -11.151 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -6.187 -2.972 -12.452 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -5.877 -0.199 -9.234 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.578 -4.439 -11.056 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.270 -1.662 -7.836 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.119 -3.789 -8.743 1.00 0.00 H new ATOM 157 N GLU A 15 -4.255 2.002 -13.358 1.00 0.00 N ATOM 158 CA GLU A 15 -3.348 2.685 -14.273 1.00 0.00 C ATOM 159 C GLU A 15 -1.925 2.698 -13.721 1.00 0.00 C ATOM 160 O GLU A 15 -1.700 3.037 -12.559 1.00 0.00 O ATOM 161 CB GLU A 15 -3.823 4.118 -14.521 1.00 0.00 C ATOM 162 CG GLU A 15 -4.153 4.880 -13.249 1.00 0.00 C ATOM 163 CD GLU A 15 -3.997 6.380 -13.409 1.00 0.00 C ATOM 164 OE1 GLU A 15 -4.975 7.035 -13.826 1.00 0.00 O ATOM 165 OE2 GLU A 15 -2.899 6.898 -13.119 1.00 0.00 O ATOM 0 H GLU A 15 -4.266 2.383 -12.412 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.348 2.141 -15.217 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.050 4.658 -15.068 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.706 4.093 -15.159 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.177 4.655 -12.951 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.503 4.535 -12.445 1.00 0.00 H new ATOM 172 N THR A 16 -0.967 2.325 -14.564 1.00 0.00 N ATOM 173 CA THR A 16 0.434 2.292 -14.161 1.00 0.00 C ATOM 174 C THR A 16 1.159 3.563 -14.588 1.00 0.00 C ATOM 175 O THR A 16 0.883 4.120 -15.651 1.00 0.00 O ATOM 176 CB THR A 16 1.161 1.073 -14.760 1.00 0.00 C ATOM 177 OG1 THR A 16 0.476 -0.132 -14.401 1.00 0.00 O ATOM 178 CG2 THR A 16 2.601 1.009 -14.273 1.00 0.00 C ATOM 0 H THR A 16 -1.135 2.042 -15.529 1.00 0.00 H new ATOM 0 HA THR A 16 0.449 2.217 -13.074 1.00 0.00 H new ATOM 0 HB THR A 16 1.165 1.177 -15.845 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.944 -0.902 -14.787 1.00 0.00 H new ATOM 0 HG21 THR A 16 3.094 0.140 -14.709 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.128 1.915 -14.574 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.614 0.926 -13.186 1.00 0.00 H new ATOM 186 N TYR A 17 2.088 4.016 -13.754 1.00 0.00 N ATOM 187 CA TYR A 17 2.853 5.224 -14.045 1.00 0.00 C ATOM 188 C TYR A 17 4.235 5.161 -13.403 1.00 0.00 C ATOM 189 O TYR A 17 4.433 4.483 -12.396 1.00 0.00 O ATOM 190 CB TYR A 17 2.102 6.460 -13.547 1.00 0.00 C ATOM 191 CG TYR A 17 1.810 6.434 -12.064 1.00 0.00 C ATOM 192 CD1 TYR A 17 0.671 5.808 -11.571 1.00 0.00 C ATOM 193 CD2 TYR A 17 2.671 7.037 -11.155 1.00 0.00 C ATOM 194 CE1 TYR A 17 0.400 5.782 -10.217 1.00 0.00 C ATOM 195 CE2 TYR A 17 2.408 7.015 -9.799 1.00 0.00 C ATOM 196 CZ TYR A 17 1.271 6.386 -9.335 1.00 0.00 C ATOM 197 OH TYR A 17 1.005 6.364 -7.985 1.00 0.00 O ATOM 0 H TYR A 17 2.330 3.566 -12.871 1.00 0.00 H new ATOM 0 HA TYR A 17 2.978 5.294 -15.126 1.00 0.00 H new ATOM 0 HB2 TYR A 17 2.689 7.349 -13.778 1.00 0.00 H new ATOM 0 HB3 TYR A 17 1.162 6.548 -14.092 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.014 5.334 -12.259 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.561 7.531 -11.515 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.490 5.291 -9.851 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.088 7.487 -9.106 1.00 0.00 H new ATOM 0 HH TYR A 17 1.633 6.955 -7.518 1.00 0.00 H new ATOM 207 N ASN A 18 5.188 5.874 -13.995 1.00 0.00 N ATOM 208 CA ASN A 18 6.553 5.901 -13.481 1.00 0.00 C ATOM 209 C ASN A 18 6.842 7.221 -12.773 1.00 0.00 C ATOM 210 O ASN A 18 6.554 8.296 -13.299 1.00 0.00 O ATOM 211 CB ASN A 18 7.552 5.690 -14.621 1.00 0.00 C ATOM 212 CG ASN A 18 7.079 6.301 -15.925 1.00 0.00 C ATOM 213 OD1 ASN A 18 7.492 7.400 -16.296 1.00 0.00 O ATOM 214 ND2 ASN A 18 6.207 5.589 -16.630 1.00 0.00 N ATOM 0 H ASN A 18 5.040 6.440 -14.830 1.00 0.00 H new ATOM 0 HA ASN A 18 6.660 5.092 -12.758 1.00 0.00 H new ATOM 0 HB2 ASN A 18 8.512 6.127 -14.345 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.717 4.622 -14.762 1.00 0.00 H new ATOM 0 HD21 ASN A 18 5.853 5.949 -17.516 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.891 4.683 -16.285 1.00 0.00 H new ATOM 221 N VAL A 19 7.414 7.131 -11.577 1.00 0.00 N ATOM 222 CA VAL A 19 7.745 8.317 -10.796 1.00 0.00 C ATOM 223 C VAL A 19 9.254 8.481 -10.656 1.00 0.00 C ATOM 224 O VAL A 19 9.909 7.706 -9.960 1.00 0.00 O ATOM 225 CB VAL A 19 7.113 8.260 -9.393 1.00 0.00 C ATOM 226 CG1 VAL A 19 6.946 9.661 -8.824 1.00 0.00 C ATOM 227 CG2 VAL A 19 5.778 7.531 -9.439 1.00 0.00 C ATOM 0 H VAL A 19 7.658 6.249 -11.127 1.00 0.00 H new ATOM 0 HA VAL A 19 7.339 9.173 -11.335 1.00 0.00 H new ATOM 0 HB VAL A 19 7.782 7.705 -8.735 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.498 9.600 -7.832 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.921 10.143 -8.753 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.299 10.245 -9.479 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.346 7.500 -8.439 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.100 8.056 -10.112 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.931 6.514 -9.800 1.00 0.00 H new ATOM 237 N GLU A 20 9.799 9.494 -11.322 1.00 0.00 N ATOM 238 CA GLU A 20 11.232 9.758 -11.272 1.00 0.00 C ATOM 239 C GLU A 20 11.580 10.644 -10.079 1.00 0.00 C ATOM 240 O GLU A 20 11.611 11.871 -10.190 1.00 0.00 O ATOM 241 CB GLU A 20 11.696 10.424 -12.569 1.00 0.00 C ATOM 242 CG GLU A 20 13.162 10.822 -12.557 1.00 0.00 C ATOM 243 CD GLU A 20 13.497 11.846 -13.625 1.00 0.00 C ATOM 244 OE1 GLU A 20 12.616 12.665 -13.958 1.00 0.00 O ATOM 245 OE2 GLU A 20 14.640 11.827 -14.128 1.00 0.00 O ATOM 0 H GLU A 20 9.270 10.145 -11.902 1.00 0.00 H new ATOM 0 HA GLU A 20 11.748 8.805 -11.157 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.520 9.742 -13.401 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.089 11.311 -12.750 1.00 0.00 H new ATOM 0 HG2 GLU A 20 13.417 11.227 -11.578 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.777 9.934 -12.704 1.00 0.00 H new ATOM 252 N LEU A 21 11.840 10.015 -8.939 1.00 0.00 N ATOM 253 CA LEU A 21 12.186 10.745 -7.724 1.00 0.00 C ATOM 254 C LEU A 21 13.652 11.168 -7.741 1.00 0.00 C ATOM 255 O LEU A 21 14.528 10.392 -8.122 1.00 0.00 O ATOM 256 CB LEU A 21 11.906 9.885 -6.491 1.00 0.00 C ATOM 257 CG LEU A 21 10.459 9.429 -6.305 1.00 0.00 C ATOM 258 CD1 LEU A 21 10.376 8.325 -5.262 1.00 0.00 C ATOM 259 CD2 LEU A 21 9.576 10.604 -5.910 1.00 0.00 C ATOM 0 H LEU A 21 11.818 9.001 -8.830 1.00 0.00 H new ATOM 0 HA LEU A 21 11.569 11.642 -7.681 1.00 0.00 H new ATOM 0 HB2 LEU A 21 12.541 9.001 -6.538 1.00 0.00 H new ATOM 0 HB3 LEU A 21 12.206 10.446 -5.606 1.00 0.00 H new ATOM 0 HG LEU A 21 10.099 9.032 -7.254 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.338 8.014 -5.144 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.976 7.474 -5.585 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.755 8.695 -4.309 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.549 10.261 -5.782 1.00 0.00 H new ATOM 0 HD22 LEU A 21 9.935 11.031 -4.974 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.610 11.363 -6.691 1.00 0.00 H new ATOM 271 N VAL A 22 13.911 12.403 -7.323 1.00 0.00 N ATOM 272 CA VAL A 22 15.270 12.929 -7.287 1.00 0.00 C ATOM 273 C VAL A 22 15.827 12.915 -5.868 1.00 0.00 C ATOM 274 O VAL A 22 15.167 13.354 -4.927 1.00 0.00 O ATOM 275 CB VAL A 22 15.331 14.366 -7.837 1.00 0.00 C ATOM 276 CG1 VAL A 22 14.716 15.343 -6.848 1.00 0.00 C ATOM 277 CG2 VAL A 22 16.767 14.753 -8.158 1.00 0.00 C ATOM 0 H VAL A 22 13.197 13.058 -7.004 1.00 0.00 H new ATOM 0 HA VAL A 22 15.877 12.281 -7.919 1.00 0.00 H new ATOM 0 HB VAL A 22 14.752 14.408 -8.760 1.00 0.00 H new ATOM 0 HG11 VAL A 22 14.768 16.353 -7.254 1.00 0.00 H new ATOM 0 HG12 VAL A 22 13.674 15.076 -6.673 1.00 0.00 H new ATOM 0 HG13 VAL A 22 15.264 15.302 -5.907 1.00 0.00 H new ATOM 0 HG21 VAL A 22 16.791 15.771 -8.546 1.00 0.00 H new ATOM 0 HG22 VAL A 22 17.371 14.695 -7.252 1.00 0.00 H new ATOM 0 HG23 VAL A 22 17.169 14.070 -8.907 1.00 0.00 H new ATOM 287 N ARG A 23 17.048 12.409 -5.722 1.00 0.00 N ATOM 288 CA ARG A 23 17.694 12.337 -4.418 1.00 0.00 C ATOM 289 C ARG A 23 18.715 13.459 -4.254 1.00 0.00 C ATOM 290 O ARG A 23 19.839 13.368 -4.749 1.00 0.00 O ATOM 291 CB ARG A 23 18.378 10.981 -4.237 1.00 0.00 C ATOM 292 CG ARG A 23 17.484 9.798 -4.575 1.00 0.00 C ATOM 293 CD ARG A 23 17.963 8.526 -3.894 1.00 0.00 C ATOM 294 NE ARG A 23 19.247 8.072 -4.423 1.00 0.00 N ATOM 295 CZ ARG A 23 19.931 7.052 -3.917 1.00 0.00 C ATOM 296 NH1 ARG A 23 19.456 6.382 -2.875 1.00 0.00 N ATOM 297 NH2 ARG A 23 21.092 6.698 -4.454 1.00 0.00 N ATOM 0 H ARG A 23 17.609 12.043 -6.491 1.00 0.00 H new ATOM 0 HA ARG A 23 16.925 12.453 -3.654 1.00 0.00 H new ATOM 0 HB2 ARG A 23 19.267 10.945 -4.866 1.00 0.00 H new ATOM 0 HB3 ARG A 23 18.714 10.888 -3.204 1.00 0.00 H new ATOM 0 HG2 ARG A 23 16.461 10.014 -4.267 1.00 0.00 H new ATOM 0 HG3 ARG A 23 17.467 9.650 -5.655 1.00 0.00 H new ATOM 0 HD2 ARG A 23 18.054 8.701 -2.822 1.00 0.00 H new ATOM 0 HD3 ARG A 23 17.218 7.741 -4.027 1.00 0.00 H new ATOM 0 HE ARG A 23 19.640 8.565 -5.225 1.00 0.00 H new ATOM 0 HH11 ARG A 23 18.563 6.650 -2.460 1.00 0.00 H new ATOM 0 HH12 ARG A 23 19.983 5.599 -2.489 1.00 0.00 H new ATOM 0 HH21 ARG A 23 21.460 7.209 -5.256 1.00 0.00 H new ATOM 0 HH22 ARG A 23 21.616 5.915 -4.064 1.00 0.00 H new ATOM 311 N LYS A 24 18.316 14.518 -3.558 1.00 0.00 N ATOM 312 CA LYS A 24 19.195 15.659 -3.328 1.00 0.00 C ATOM 313 C LYS A 24 20.544 15.205 -2.779 1.00 0.00 C ATOM 314 O LYS A 24 20.769 14.012 -2.570 1.00 0.00 O ATOM 315 CB LYS A 24 18.542 16.644 -2.356 1.00 0.00 C ATOM 316 CG LYS A 24 17.258 17.259 -2.884 1.00 0.00 C ATOM 317 CD LYS A 24 16.834 18.461 -2.057 1.00 0.00 C ATOM 318 CE LYS A 24 16.145 18.036 -0.769 1.00 0.00 C ATOM 319 NZ LYS A 24 15.990 19.174 0.179 1.00 0.00 N ATOM 0 H LYS A 24 17.389 14.610 -3.143 1.00 0.00 H new ATOM 0 HA LYS A 24 19.361 16.157 -4.284 1.00 0.00 H new ATOM 0 HB2 LYS A 24 18.330 16.130 -1.419 1.00 0.00 H new ATOM 0 HB3 LYS A 24 19.250 17.441 -2.129 1.00 0.00 H new ATOM 0 HG2 LYS A 24 17.398 17.562 -3.922 1.00 0.00 H new ATOM 0 HG3 LYS A 24 16.465 16.512 -2.874 1.00 0.00 H new ATOM 0 HD2 LYS A 24 17.708 19.068 -1.820 1.00 0.00 H new ATOM 0 HD3 LYS A 24 16.160 19.087 -2.642 1.00 0.00 H new ATOM 0 HE2 LYS A 24 15.164 17.621 -1.002 1.00 0.00 H new ATOM 0 HE3 LYS A 24 16.722 17.243 -0.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 15.516 18.843 1.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 16.927 19.554 0.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 15.418 19.920 -0.265 1.00 0.00 H new ATOM 333 N ASP A 25 21.435 16.161 -2.547 1.00 0.00 N ATOM 334 CA ASP A 25 22.761 15.859 -2.019 1.00 0.00 C ATOM 335 C ASP A 25 22.662 15.194 -0.650 1.00 0.00 C ATOM 336 O ASP A 25 22.655 15.868 0.380 1.00 0.00 O ATOM 337 CB ASP A 25 23.597 17.136 -1.921 1.00 0.00 C ATOM 338 CG ASP A 25 23.950 17.704 -3.282 1.00 0.00 C ATOM 339 OD1 ASP A 25 24.841 17.136 -3.949 1.00 0.00 O ATOM 340 OD2 ASP A 25 23.334 18.714 -3.680 1.00 0.00 O ATOM 0 H ASP A 25 21.264 17.152 -2.716 1.00 0.00 H new ATOM 0 HA ASP A 25 23.249 15.166 -2.705 1.00 0.00 H new ATOM 0 HB2 ASP A 25 23.047 17.884 -1.350 1.00 0.00 H new ATOM 0 HB3 ASP A 25 24.513 16.925 -1.370 1.00 0.00 H new ATOM 345 N GLY A 26 22.585 13.867 -0.646 1.00 0.00 N ATOM 346 CA GLY A 26 22.486 13.133 0.602 1.00 0.00 C ATOM 347 C GLY A 26 21.088 12.608 0.857 1.00 0.00 C ATOM 348 O GLY A 26 20.917 11.491 1.344 1.00 0.00 O ATOM 0 H GLY A 26 22.589 13.287 -1.485 1.00 0.00 H new ATOM 0 HA2 GLY A 26 23.187 12.298 0.585 1.00 0.00 H new ATOM 0 HA3 GLY A 26 22.783 13.782 1.426 1.00 0.00 H new ATOM 352 N GLN A 27 20.085 13.416 0.528 1.00 0.00 N ATOM 353 CA GLN A 27 18.694 13.026 0.727 1.00 0.00 C ATOM 354 C GLN A 27 18.434 11.631 0.168 1.00 0.00 C ATOM 355 O GLN A 27 18.607 11.388 -1.026 1.00 0.00 O ATOM 356 CB GLN A 27 17.759 14.038 0.062 1.00 0.00 C ATOM 357 CG GLN A 27 16.285 13.755 0.304 1.00 0.00 C ATOM 358 CD GLN A 27 15.377 14.609 -0.559 1.00 0.00 C ATOM 359 OE1 GLN A 27 14.693 15.562 0.064 1.00 0.00 O flip ATOM 360 NE2 GLN A 27 15.291 14.415 -1.771 1.00 0.00 N flip ATOM 0 H GLN A 27 20.210 14.344 0.123 1.00 0.00 H new ATOM 0 HA GLN A 27 18.497 13.010 1.799 1.00 0.00 H new ATOM 0 HB2 GLN A 27 17.994 15.036 0.432 1.00 0.00 H new ATOM 0 HB3 GLN A 27 17.948 14.044 -1.012 1.00 0.00 H new ATOM 0 HG2 GLN A 27 16.084 12.702 0.105 1.00 0.00 H new ATOM 0 HG3 GLN A 27 16.053 13.931 1.354 1.00 0.00 H new ATOM 0 HE21 GLN A 27 15.835 13.671 -2.208 1.00 0.00 H new ATOM 0 HE22 GLN A 27 14.676 14.998 -2.338 1.00 0.00 H new ATOM 369 N SER A 28 18.019 10.718 1.040 1.00 0.00 N ATOM 370 CA SER A 28 17.739 9.345 0.634 1.00 0.00 C ATOM 371 C SER A 28 16.306 9.210 0.129 1.00 0.00 C ATOM 372 O SER A 28 15.512 10.147 0.218 1.00 0.00 O ATOM 373 CB SER A 28 17.972 8.388 1.805 1.00 0.00 C ATOM 374 OG SER A 28 19.352 8.117 1.975 1.00 0.00 O ATOM 0 H SER A 28 17.869 10.904 2.032 1.00 0.00 H new ATOM 0 HA SER A 28 18.418 9.086 -0.179 1.00 0.00 H new ATOM 0 HB2 SER A 28 17.568 8.822 2.720 1.00 0.00 H new ATOM 0 HB3 SER A 28 17.434 7.456 1.630 1.00 0.00 H new ATOM 0 HG SER A 28 19.475 7.505 2.730 1.00 0.00 H new ATOM 380 N LEU A 29 15.982 8.036 -0.403 1.00 0.00 N ATOM 381 CA LEU A 29 14.644 7.776 -0.924 1.00 0.00 C ATOM 382 C LEU A 29 13.586 8.017 0.148 1.00 0.00 C ATOM 383 O LEU A 29 12.768 8.928 0.033 1.00 0.00 O ATOM 384 CB LEU A 29 14.547 6.338 -1.438 1.00 0.00 C ATOM 385 CG LEU A 29 13.569 6.102 -2.590 1.00 0.00 C ATOM 386 CD1 LEU A 29 13.995 6.887 -3.821 1.00 0.00 C ATOM 387 CD2 LEU A 29 13.469 4.618 -2.909 1.00 0.00 C ATOM 0 H LEU A 29 16.627 7.250 -0.485 1.00 0.00 H new ATOM 0 HA LEU A 29 14.462 8.464 -1.749 1.00 0.00 H new ATOM 0 HB2 LEU A 29 15.539 6.020 -1.759 1.00 0.00 H new ATOM 0 HB3 LEU A 29 14.260 5.695 -0.606 1.00 0.00 H new ATOM 0 HG LEU A 29 12.584 6.454 -2.283 1.00 0.00 H new ATOM 0 HD11 LEU A 29 13.287 6.707 -4.630 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.014 7.951 -3.586 1.00 0.00 H new ATOM 0 HD13 LEU A 29 14.990 6.567 -4.131 1.00 0.00 H new ATOM 0 HD21 LEU A 29 12.769 4.469 -3.731 1.00 0.00 H new ATOM 0 HD22 LEU A 29 14.451 4.240 -3.195 1.00 0.00 H new ATOM 0 HD23 LEU A 29 13.116 4.080 -2.029 1.00 0.00 H new ATOM 399 N GLY A 30 13.610 7.193 1.192 1.00 0.00 N ATOM 400 CA GLY A 30 12.649 7.335 2.270 1.00 0.00 C ATOM 401 C GLY A 30 11.311 6.704 1.941 1.00 0.00 C ATOM 402 O GLY A 30 10.274 7.367 1.997 1.00 0.00 O ATOM 0 H GLY A 30 14.277 6.431 1.310 1.00 0.00 H new ATOM 0 HA2 GLY A 30 13.051 6.877 3.174 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.505 8.393 2.487 1.00 0.00 H new ATOM 406 N ILE A 31 11.332 5.422 1.594 1.00 0.00 N ATOM 407 CA ILE A 31 10.111 4.703 1.254 1.00 0.00 C ATOM 408 C ILE A 31 10.098 3.313 1.883 1.00 0.00 C ATOM 409 O ILE A 31 10.976 2.492 1.617 1.00 0.00 O ATOM 410 CB ILE A 31 9.945 4.565 -0.271 1.00 0.00 C ATOM 411 CG1 ILE A 31 9.895 5.946 -0.928 1.00 0.00 C ATOM 412 CG2 ILE A 31 8.689 3.771 -0.598 1.00 0.00 C ATOM 413 CD1 ILE A 31 9.956 5.900 -2.438 1.00 0.00 C ATOM 0 H ILE A 31 12.181 4.860 1.541 1.00 0.00 H new ATOM 0 HA ILE A 31 9.280 5.287 1.651 1.00 0.00 H new ATOM 0 HB ILE A 31 10.805 4.026 -0.667 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.977 6.450 -0.625 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.726 6.546 -0.557 1.00 0.00 H new ATOM 0 HG21 ILE A 31 8.586 3.682 -1.679 1.00 0.00 H new ATOM 0 HG22 ILE A 31 8.762 2.777 -0.158 1.00 0.00 H new ATOM 0 HG23 ILE A 31 7.818 4.285 -0.191 1.00 0.00 H new ATOM 0 HD11 ILE A 31 9.916 6.914 -2.835 1.00 0.00 H new ATOM 0 HD12 ILE A 31 10.886 5.425 -2.750 1.00 0.00 H new ATOM 0 HD13 ILE A 31 9.110 5.328 -2.819 1.00 0.00 H new ATOM 425 N ARG A 32 9.095 3.057 2.716 1.00 0.00 N ATOM 426 CA ARG A 32 8.966 1.767 3.383 1.00 0.00 C ATOM 427 C ARG A 32 8.015 0.852 2.618 1.00 0.00 C ATOM 428 O ARG A 32 6.974 1.292 2.128 1.00 0.00 O ATOM 429 CB ARG A 32 8.466 1.957 4.816 1.00 0.00 C ATOM 430 CG ARG A 32 9.357 2.855 5.658 1.00 0.00 C ATOM 431 CD ARG A 32 10.441 2.058 6.367 1.00 0.00 C ATOM 432 NE ARG A 32 11.642 2.854 6.600 1.00 0.00 N ATOM 433 CZ ARG A 32 12.706 2.405 7.257 1.00 0.00 C ATOM 434 NH1 ARG A 32 12.717 1.171 7.743 1.00 0.00 N ATOM 435 NH2 ARG A 32 13.762 3.190 7.429 1.00 0.00 N ATOM 0 H ARG A 32 8.360 3.726 2.945 1.00 0.00 H new ATOM 0 HA ARG A 32 9.950 1.300 3.408 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.461 2.379 4.788 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.389 0.982 5.297 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.817 3.612 5.023 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.751 3.383 6.395 1.00 0.00 H new ATOM 0 HD2 ARG A 32 10.058 1.693 7.320 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.697 1.183 5.770 1.00 0.00 H new ATOM 0 HE ARG A 32 11.666 3.808 6.239 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.907 0.564 7.613 1.00 0.00 H new ATOM 0 HH12 ARG A 32 13.535 0.829 8.247 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.758 4.140 7.057 1.00 0.00 H new ATOM 0 HH22 ARG A 32 14.578 2.844 7.934 1.00 0.00 H new ATOM 449 N ILE A 33 8.379 -0.422 2.519 1.00 0.00 N ATOM 450 CA ILE A 33 7.558 -1.398 1.814 1.00 0.00 C ATOM 451 C ILE A 33 7.083 -2.500 2.756 1.00 0.00 C ATOM 452 O ILE A 33 7.499 -2.564 3.913 1.00 0.00 O ATOM 453 CB ILE A 33 8.325 -2.037 0.641 1.00 0.00 C ATOM 454 CG1 ILE A 33 9.617 -2.686 1.141 1.00 0.00 C ATOM 455 CG2 ILE A 33 8.627 -0.994 -0.425 1.00 0.00 C ATOM 456 CD1 ILE A 33 10.090 -3.834 0.276 1.00 0.00 C ATOM 0 H ILE A 33 9.237 -0.802 2.918 1.00 0.00 H new ATOM 0 HA ILE A 33 6.695 -0.860 1.423 1.00 0.00 H new ATOM 0 HB ILE A 33 7.700 -2.812 0.197 1.00 0.00 H new ATOM 0 HG12 ILE A 33 10.400 -1.929 1.187 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.463 -3.047 2.158 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.169 -1.461 -1.247 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.693 -0.574 -0.798 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.235 -0.199 0.006 1.00 0.00 H new ATOM 0 HD11 ILE A 33 11.010 -4.246 0.690 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.324 -4.610 0.250 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.276 -3.474 -0.736 1.00 0.00 H new ATOM 468 N VAL A 34 6.211 -3.367 2.251 1.00 0.00 N ATOM 469 CA VAL A 34 5.682 -4.469 3.046 1.00 0.00 C ATOM 470 C VAL A 34 5.299 -5.650 2.162 1.00 0.00 C ATOM 471 O VAL A 34 4.910 -5.475 1.008 1.00 0.00 O ATOM 472 CB VAL A 34 4.450 -4.031 3.861 1.00 0.00 C ATOM 473 CG1 VAL A 34 3.193 -4.100 3.008 1.00 0.00 C ATOM 474 CG2 VAL A 34 4.305 -4.889 5.109 1.00 0.00 C ATOM 0 H VAL A 34 5.856 -3.328 1.296 1.00 0.00 H new ATOM 0 HA VAL A 34 6.473 -4.774 3.731 1.00 0.00 H new ATOM 0 HB VAL A 34 4.592 -2.996 4.173 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.333 -3.787 3.601 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.300 -3.439 2.148 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.043 -5.123 2.663 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.430 -4.566 5.673 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.186 -5.933 4.821 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.195 -4.783 5.729 1.00 0.00 H new ATOM 484 N GLY A 35 5.411 -6.855 2.712 1.00 0.00 N ATOM 485 CA GLY A 35 5.072 -8.049 1.959 1.00 0.00 C ATOM 486 C GLY A 35 3.721 -8.616 2.348 1.00 0.00 C ATOM 487 O GLY A 35 3.528 -9.058 3.481 1.00 0.00 O ATOM 0 H GLY A 35 5.730 -7.026 3.665 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.072 -7.815 0.894 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.840 -8.806 2.119 1.00 0.00 H new ATOM 491 N TYR A 36 2.783 -8.602 1.408 1.00 0.00 N ATOM 492 CA TYR A 36 1.441 -9.115 1.660 1.00 0.00 C ATOM 493 C TYR A 36 1.294 -10.538 1.129 1.00 0.00 C ATOM 494 O TYR A 36 1.944 -10.921 0.156 1.00 0.00 O ATOM 495 CB TYR A 36 0.395 -8.206 1.012 1.00 0.00 C ATOM 496 CG TYR A 36 -0.153 -7.152 1.948 1.00 0.00 C ATOM 497 CD1 TYR A 36 -1.270 -7.405 2.734 1.00 0.00 C ATOM 498 CD2 TYR A 36 0.447 -5.902 2.045 1.00 0.00 C ATOM 499 CE1 TYR A 36 -1.774 -6.445 3.589 1.00 0.00 C ATOM 500 CE2 TYR A 36 -0.050 -4.936 2.899 1.00 0.00 C ATOM 501 CZ TYR A 36 -1.161 -5.212 3.668 1.00 0.00 C ATOM 502 OH TYR A 36 -1.659 -4.253 4.520 1.00 0.00 O ATOM 0 H TYR A 36 2.927 -8.241 0.465 1.00 0.00 H new ATOM 0 HA TYR A 36 1.281 -9.130 2.738 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.839 -7.716 0.146 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.429 -8.818 0.645 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.753 -8.369 2.675 1.00 0.00 H new ATOM 0 HD2 TYR A 36 1.316 -5.682 1.443 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -2.644 -6.659 4.193 1.00 0.00 H new ATOM 0 HE2 TYR A 36 0.429 -3.970 2.964 1.00 0.00 H new ATOM 0 HH TYR A 36 -1.112 -3.443 4.456 1.00 0.00 H new ATOM 624 N SER A 46 -1.837 -10.115 -2.551 1.00 0.00 N ATOM 625 CA SER A 46 -0.464 -10.559 -2.348 1.00 0.00 C ATOM 626 C SER A 46 0.500 -9.764 -3.223 1.00 0.00 C ATOM 627 O SER A 46 0.465 -9.858 -4.449 1.00 0.00 O ATOM 628 CB SER A 46 -0.337 -12.052 -2.657 1.00 0.00 C ATOM 629 OG SER A 46 -0.295 -12.282 -4.055 1.00 0.00 O ATOM 0 HA SER A 46 -0.205 -10.388 -1.303 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.567 -12.447 -2.193 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.180 -12.590 -2.222 1.00 0.00 H new ATOM 0 HG SER A 46 -0.364 -11.427 -4.529 1.00 0.00 H new ATOM 635 N GLY A 47 1.362 -8.979 -2.583 1.00 0.00 N ATOM 636 CA GLY A 47 2.323 -8.178 -3.318 1.00 0.00 C ATOM 637 C GLY A 47 3.065 -7.202 -2.427 1.00 0.00 C ATOM 638 O GLY A 47 2.972 -7.276 -1.201 1.00 0.00 O ATOM 0 H GLY A 47 1.412 -8.884 -1.569 1.00 0.00 H new ATOM 0 HA2 GLY A 47 3.041 -8.836 -3.808 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.807 -7.627 -4.104 1.00 0.00 H new ATOM 642 N ILE A 48 3.806 -6.286 -3.043 1.00 0.00 N ATOM 643 CA ILE A 48 4.567 -5.292 -2.297 1.00 0.00 C ATOM 644 C ILE A 48 3.837 -3.954 -2.260 1.00 0.00 C ATOM 645 O ILE A 48 3.532 -3.373 -3.302 1.00 0.00 O ATOM 646 CB ILE A 48 5.967 -5.084 -2.904 1.00 0.00 C ATOM 647 CG1 ILE A 48 6.751 -6.398 -2.895 1.00 0.00 C ATOM 648 CG2 ILE A 48 6.721 -4.006 -2.139 1.00 0.00 C ATOM 649 CD1 ILE A 48 7.109 -6.879 -1.506 1.00 0.00 C ATOM 0 H ILE A 48 3.895 -6.212 -4.056 1.00 0.00 H new ATOM 0 HA ILE A 48 4.673 -5.673 -1.281 1.00 0.00 H new ATOM 0 HB ILE A 48 5.854 -4.757 -3.938 1.00 0.00 H new ATOM 0 HG12 ILE A 48 6.162 -7.166 -3.396 1.00 0.00 H new ATOM 0 HG13 ILE A 48 7.666 -6.270 -3.473 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.709 -3.870 -2.580 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.168 -3.068 -2.192 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.827 -4.306 -1.097 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.663 -7.815 -1.577 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.724 -6.129 -1.009 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.197 -7.040 -0.930 1.00 0.00 H new ATOM 661 N TYR A 49 3.561 -3.470 -1.055 1.00 0.00 N ATOM 662 CA TYR A 49 2.866 -2.200 -0.882 1.00 0.00 C ATOM 663 C TYR A 49 3.622 -1.292 0.084 1.00 0.00 C ATOM 664 O TYR A 49 4.284 -1.764 1.008 1.00 0.00 O ATOM 665 CB TYR A 49 1.445 -2.438 -0.369 1.00 0.00 C ATOM 666 CG TYR A 49 0.612 -3.314 -1.277 1.00 0.00 C ATOM 667 CD1 TYR A 49 0.813 -4.689 -1.323 1.00 0.00 C ATOM 668 CD2 TYR A 49 -0.373 -2.769 -2.090 1.00 0.00 C ATOM 669 CE1 TYR A 49 0.055 -5.494 -2.151 1.00 0.00 C ATOM 670 CE2 TYR A 49 -1.137 -3.566 -2.920 1.00 0.00 C ATOM 671 CZ TYR A 49 -0.919 -4.928 -2.948 1.00 0.00 C ATOM 672 OH TYR A 49 -1.676 -5.725 -3.774 1.00 0.00 O ATOM 0 H TYR A 49 3.808 -3.938 -0.183 1.00 0.00 H new ATOM 0 HA TYR A 49 2.817 -1.707 -1.853 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.496 -2.897 0.618 1.00 0.00 H new ATOM 0 HB3 TYR A 49 0.946 -1.477 -0.248 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.575 -5.135 -0.701 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -0.545 -1.703 -2.073 1.00 0.00 H new ATOM 0 HE1 TYR A 49 0.224 -6.560 -2.174 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -1.901 -3.125 -3.544 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.317 -5.171 -4.266 1.00 0.00 H new ATOM 682 N VAL A 50 3.518 0.015 -0.138 1.00 0.00 N ATOM 683 CA VAL A 50 4.189 0.990 0.713 1.00 0.00 C ATOM 684 C VAL A 50 3.650 0.941 2.138 1.00 0.00 C ATOM 685 O VAL A 50 2.460 1.156 2.371 1.00 0.00 O ATOM 686 CB VAL A 50 4.026 2.420 0.163 1.00 0.00 C ATOM 687 CG1 VAL A 50 4.479 3.443 1.193 1.00 0.00 C ATOM 688 CG2 VAL A 50 4.799 2.582 -1.137 1.00 0.00 C ATOM 0 H VAL A 50 2.976 0.422 -0.900 1.00 0.00 H new ATOM 0 HA VAL A 50 5.247 0.729 0.720 1.00 0.00 H new ATOM 0 HB VAL A 50 2.970 2.592 -0.045 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.357 4.447 0.787 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.877 3.341 2.096 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.528 3.275 1.435 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.673 3.598 -1.511 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.857 2.390 -0.958 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.422 1.874 -1.875 1.00 0.00 H new ATOM 698 N LYS A 51 4.532 0.656 3.089 1.00 0.00 N ATOM 699 CA LYS A 51 4.147 0.580 4.493 1.00 0.00 C ATOM 700 C LYS A 51 4.021 1.974 5.099 1.00 0.00 C ATOM 701 O LYS A 51 3.103 2.243 5.874 1.00 0.00 O ATOM 702 CB LYS A 51 5.172 -0.239 5.281 1.00 0.00 C ATOM 703 CG LYS A 51 4.819 -0.406 6.749 1.00 0.00 C ATOM 704 CD LYS A 51 3.626 -1.328 6.934 1.00 0.00 C ATOM 705 CE LYS A 51 3.660 -2.017 8.290 1.00 0.00 C ATOM 706 NZ LYS A 51 2.307 -2.472 8.715 1.00 0.00 N ATOM 0 H LYS A 51 5.520 0.474 2.913 1.00 0.00 H new ATOM 0 HA LYS A 51 3.176 0.088 4.551 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.266 -1.224 4.824 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.147 0.243 5.203 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.677 -0.808 7.287 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.598 0.569 7.184 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.704 -0.755 6.839 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.618 -2.078 6.143 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.334 -2.873 8.246 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.064 -1.332 9.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.373 -2.936 9.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.670 -1.652 8.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.932 -3.146 8.017 1.00 0.00 H new ATOM 720 N SER A 52 4.947 2.857 4.740 1.00 0.00 N ATOM 721 CA SER A 52 4.940 4.223 5.251 1.00 0.00 C ATOM 722 C SER A 52 5.909 5.101 4.465 1.00 0.00 C ATOM 723 O SER A 52 6.709 4.607 3.671 1.00 0.00 O ATOM 724 CB SER A 52 5.310 4.237 6.735 1.00 0.00 C ATOM 725 OG SER A 52 4.156 4.116 7.549 1.00 0.00 O ATOM 0 H SER A 52 5.712 2.651 4.097 1.00 0.00 H new ATOM 0 HA SER A 52 3.934 4.625 5.132 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.998 3.419 6.949 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.832 5.163 6.974 1.00 0.00 H new ATOM 0 HG SER A 52 3.547 3.456 7.157 1.00 0.00 H new ATOM 731 N VAL A 53 5.831 6.408 4.694 1.00 0.00 N ATOM 732 CA VAL A 53 6.701 7.357 4.009 1.00 0.00 C ATOM 733 C VAL A 53 7.361 8.311 4.999 1.00 0.00 C ATOM 734 O VAL A 53 6.689 8.915 5.836 1.00 0.00 O ATOM 735 CB VAL A 53 5.924 8.178 2.963 1.00 0.00 C ATOM 736 CG1 VAL A 53 6.880 8.987 2.100 1.00 0.00 C ATOM 737 CG2 VAL A 53 5.061 7.265 2.105 1.00 0.00 C ATOM 0 H VAL A 53 5.175 6.834 5.348 1.00 0.00 H new ATOM 0 HA VAL A 53 7.470 6.773 3.503 1.00 0.00 H new ATOM 0 HB VAL A 53 5.269 8.874 3.487 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.312 9.560 1.367 1.00 0.00 H new ATOM 0 HG12 VAL A 53 7.451 9.669 2.730 1.00 0.00 H new ATOM 0 HG13 VAL A 53 7.563 8.313 1.583 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.519 7.861 1.371 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.695 6.544 1.590 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.350 6.735 2.739 1.00 0.00 H new ATOM 747 N ILE A 54 8.679 8.442 4.897 1.00 0.00 N ATOM 748 CA ILE A 54 9.429 9.324 5.783 1.00 0.00 C ATOM 749 C ILE A 54 9.245 10.785 5.389 1.00 0.00 C ATOM 750 O ILE A 54 9.490 11.182 4.249 1.00 0.00 O ATOM 751 CB ILE A 54 10.932 8.986 5.772 1.00 0.00 C ATOM 752 CG1 ILE A 54 11.170 7.599 6.372 1.00 0.00 C ATOM 753 CG2 ILE A 54 11.717 10.042 6.537 1.00 0.00 C ATOM 754 CD1 ILE A 54 10.764 6.467 5.455 1.00 0.00 C ATOM 0 H ILE A 54 9.250 7.949 4.210 1.00 0.00 H new ATOM 0 HA ILE A 54 9.037 9.170 6.788 1.00 0.00 H new ATOM 0 HB ILE A 54 11.280 8.978 4.739 1.00 0.00 H new ATOM 0 HG12 ILE A 54 12.227 7.495 6.619 1.00 0.00 H new ATOM 0 HG13 ILE A 54 10.615 7.516 7.306 1.00 0.00 H new ATOM 0 HG21 ILE A 54 12.777 9.790 6.521 1.00 0.00 H new ATOM 0 HG22 ILE A 54 11.568 11.015 6.070 1.00 0.00 H new ATOM 0 HG23 ILE A 54 11.368 10.078 7.569 1.00 0.00 H new ATOM 0 HD11 ILE A 54 10.961 5.513 5.945 1.00 0.00 H new ATOM 0 HD12 ILE A 54 9.701 6.546 5.228 1.00 0.00 H new ATOM 0 HD13 ILE A 54 11.338 6.525 4.530 1.00 0.00 H new ATOM 766 N PRO A 55 8.804 11.607 6.353 1.00 0.00 N ATOM 767 CA PRO A 55 8.579 13.039 6.131 1.00 0.00 C ATOM 768 C PRO A 55 9.882 13.807 5.936 1.00 0.00 C ATOM 769 O PRO A 55 10.756 13.795 6.801 1.00 0.00 O ATOM 770 CB PRO A 55 7.879 13.491 7.415 1.00 0.00 C ATOM 771 CG PRO A 55 8.317 12.513 8.450 1.00 0.00 C ATOM 772 CD PRO A 55 8.492 11.202 7.733 1.00 0.00 C ATOM 0 HA PRO A 55 8.001 13.225 5.226 1.00 0.00 H new ATOM 0 HB2 PRO A 55 8.165 14.508 7.685 1.00 0.00 H new ATOM 0 HB3 PRO A 55 6.795 13.485 7.298 1.00 0.00 H new ATOM 0 HG2 PRO A 55 9.250 12.830 8.917 1.00 0.00 H new ATOM 0 HG3 PRO A 55 7.576 12.427 9.245 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.296 10.610 8.169 1.00 0.00 H new ATOM 0 HD3 PRO A 55 7.588 10.595 7.779 1.00 0.00 H new ATOM 780 N GLY A 56 10.005 14.474 4.793 1.00 0.00 N ATOM 781 CA GLY A 56 11.205 15.239 4.505 1.00 0.00 C ATOM 782 C GLY A 56 12.113 14.541 3.512 1.00 0.00 C ATOM 783 O GLY A 56 13.288 14.886 3.387 1.00 0.00 O ATOM 0 H GLY A 56 9.295 14.499 4.061 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.924 16.216 4.111 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.752 15.414 5.432 1.00 0.00 H new ATOM 787 N SER A 57 11.568 13.556 2.805 1.00 0.00 N ATOM 788 CA SER A 57 12.339 12.805 1.822 1.00 0.00 C ATOM 789 C SER A 57 11.833 13.079 0.409 1.00 0.00 C ATOM 790 O SER A 57 10.849 13.793 0.219 1.00 0.00 O ATOM 791 CB SER A 57 12.263 11.306 2.120 1.00 0.00 C ATOM 792 OG SER A 57 10.939 10.823 1.972 1.00 0.00 O ATOM 0 H SER A 57 10.596 13.260 2.895 1.00 0.00 H new ATOM 0 HA SER A 57 13.377 13.130 1.887 1.00 0.00 H new ATOM 0 HB2 SER A 57 12.928 10.764 1.448 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.612 11.116 3.135 1.00 0.00 H new ATOM 0 HG SER A 57 10.400 11.105 2.741 1.00 0.00 H new ATOM 798 N ALA A 58 12.514 12.507 -0.578 1.00 0.00 N ATOM 799 CA ALA A 58 12.133 12.688 -1.974 1.00 0.00 C ATOM 800 C ALA A 58 10.736 12.136 -2.237 1.00 0.00 C ATOM 801 O ALA A 58 9.908 12.793 -2.867 1.00 0.00 O ATOM 802 CB ALA A 58 13.148 12.019 -2.889 1.00 0.00 C ATOM 0 H ALA A 58 13.332 11.914 -0.437 1.00 0.00 H new ATOM 0 HA ALA A 58 12.119 13.757 -2.186 1.00 0.00 H new ATOM 0 HB1 ALA A 58 12.851 12.162 -3.928 1.00 0.00 H new ATOM 0 HB2 ALA A 58 14.131 12.462 -2.728 1.00 0.00 H new ATOM 0 HB3 ALA A 58 13.190 10.953 -2.667 1.00 0.00 H new ATOM 808 N ALA A 59 10.482 10.925 -1.752 1.00 0.00 N ATOM 809 CA ALA A 59 9.184 10.286 -1.935 1.00 0.00 C ATOM 810 C ALA A 59 8.065 11.137 -1.344 1.00 0.00 C ATOM 811 O ALA A 59 6.945 11.149 -1.856 1.00 0.00 O ATOM 812 CB ALA A 59 9.185 8.901 -1.305 1.00 0.00 C ATOM 0 H ALA A 59 11.157 10.367 -1.230 1.00 0.00 H new ATOM 0 HA ALA A 59 9.003 10.187 -3.005 1.00 0.00 H new ATOM 0 HB1 ALA A 59 8.210 8.435 -1.449 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.953 8.288 -1.776 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.392 8.987 -0.238 1.00 0.00 H new ATOM 818 N TYR A 60 8.375 11.847 -0.265 1.00 0.00 N ATOM 819 CA TYR A 60 7.394 12.699 0.396 1.00 0.00 C ATOM 820 C TYR A 60 7.278 14.047 -0.309 1.00 0.00 C ATOM 821 O TYR A 60 6.292 14.765 -0.143 1.00 0.00 O ATOM 822 CB TYR A 60 7.776 12.910 1.862 1.00 0.00 C ATOM 823 CG TYR A 60 6.984 14.002 2.544 1.00 0.00 C ATOM 824 CD1 TYR A 60 5.701 13.764 3.020 1.00 0.00 C ATOM 825 CD2 TYR A 60 7.520 15.274 2.712 1.00 0.00 C ATOM 826 CE1 TYR A 60 4.974 14.760 3.643 1.00 0.00 C ATOM 827 CE2 TYR A 60 6.800 16.275 3.334 1.00 0.00 C ATOM 828 CZ TYR A 60 5.528 16.014 3.798 1.00 0.00 C ATOM 829 OH TYR A 60 4.807 17.008 4.419 1.00 0.00 O ATOM 0 H TYR A 60 9.297 11.849 0.170 1.00 0.00 H new ATOM 0 HA TYR A 60 6.426 12.200 0.347 1.00 0.00 H new ATOM 0 HB2 TYR A 60 7.632 11.976 2.404 1.00 0.00 H new ATOM 0 HB3 TYR A 60 8.837 13.152 1.921 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.264 12.783 2.901 1.00 0.00 H new ATOM 0 HD2 TYR A 60 8.516 15.483 2.350 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.977 14.558 4.007 1.00 0.00 H new ATOM 0 HE2 TYR A 60 7.231 17.258 3.456 1.00 0.00 H new ATOM 0 HH TYR A 60 5.341 17.829 4.449 1.00 0.00 H new ATOM 839 N HIS A 61 8.293 14.383 -1.099 1.00 0.00 N ATOM 840 CA HIS A 61 8.306 15.644 -1.832 1.00 0.00 C ATOM 841 C HIS A 61 7.400 15.569 -3.058 1.00 0.00 C ATOM 842 O HIS A 61 6.611 16.477 -3.314 1.00 0.00 O ATOM 843 CB HIS A 61 9.732 15.996 -2.258 1.00 0.00 C ATOM 844 CG HIS A 61 10.556 16.591 -1.158 1.00 0.00 C ATOM 845 ND1 HIS A 61 10.016 17.036 0.030 1.00 0.00 N ATOM 846 CD2 HIS A 61 11.888 16.812 -1.071 1.00 0.00 C ATOM 847 CE1 HIS A 61 10.980 17.507 0.800 1.00 0.00 C ATOM 848 NE2 HIS A 61 12.126 17.382 0.156 1.00 0.00 N ATOM 0 H HIS A 61 9.117 13.800 -1.248 1.00 0.00 H new ATOM 0 HA HIS A 61 7.929 16.424 -1.171 1.00 0.00 H new ATOM 0 HB2 HIS A 61 10.226 15.096 -2.624 1.00 0.00 H new ATOM 0 HB3 HIS A 61 9.691 16.698 -3.091 1.00 0.00 H new ATOM 0 HD2 HIS A 61 12.626 16.583 -1.825 1.00 0.00 H new ATOM 0 HE1 HIS A 61 10.853 17.924 1.788 1.00 0.00 H new ATOM 0 HE2 HIS A 61 13.040 17.663 0.512 1.00 0.00 H new ATOM 857 N ASN A 62 7.521 14.481 -3.811 1.00 0.00 N ATOM 858 CA ASN A 62 6.714 14.288 -5.011 1.00 0.00 C ATOM 859 C ASN A 62 5.247 14.073 -4.651 1.00 0.00 C ATOM 860 O ASN A 62 4.351 14.585 -5.320 1.00 0.00 O ATOM 861 CB ASN A 62 7.234 13.095 -5.815 1.00 0.00 C ATOM 862 CG ASN A 62 6.907 13.206 -7.291 1.00 0.00 C ATOM 863 OD1 ASN A 62 7.445 12.289 -8.087 1.00 0.00 O flip ATOM 864 ND2 ASN A 62 6.180 14.106 -7.711 1.00 0.00 N flip ATOM 0 H ASN A 62 8.170 13.719 -3.612 1.00 0.00 H new ATOM 0 HA ASN A 62 6.792 15.189 -5.620 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.314 13.019 -5.690 1.00 0.00 H new ATOM 0 HB3 ASN A 62 6.802 12.177 -5.418 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.788 14.789 -7.063 1.00 0.00 H new ATOM 0 HD22 ASN A 62 5.969 14.168 -8.707 1.00 0.00 H new ATOM 871 N GLY A 63 5.010 13.310 -3.587 1.00 0.00 N ATOM 872 CA GLY A 63 3.651 13.041 -3.156 1.00 0.00 C ATOM 873 C GLY A 63 2.928 12.082 -4.082 1.00 0.00 C ATOM 874 O GLY A 63 1.699 12.010 -4.076 1.00 0.00 O ATOM 0 H GLY A 63 5.735 12.874 -3.017 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.668 12.625 -2.149 1.00 0.00 H new ATOM 0 HA3 GLY A 63 3.097 13.978 -3.104 1.00 0.00 H new ATOM 878 N HIS A 64 3.692 11.345 -4.881 1.00 0.00 N ATOM 879 CA HIS A 64 3.117 10.386 -5.818 1.00 0.00 C ATOM 880 C HIS A 64 3.327 8.956 -5.330 1.00 0.00 C ATOM 881 O HIS A 64 2.686 8.024 -5.815 1.00 0.00 O ATOM 882 CB HIS A 64 3.738 10.561 -7.204 1.00 0.00 C ATOM 883 CG HIS A 64 3.007 11.541 -8.069 1.00 0.00 C ATOM 884 ND1 HIS A 64 3.228 12.856 -8.299 1.00 0.00 N flip ATOM 885 CD2 HIS A 64 1.900 11.204 -8.819 1.00 0.00 C flip ATOM 886 CE1 HIS A 64 2.262 13.285 -9.175 1.00 0.00 C flip ATOM 887 NE2 HIS A 64 1.474 12.269 -9.475 1.00 0.00 N flip ATOM 0 H HIS A 64 4.711 11.393 -4.899 1.00 0.00 H new ATOM 0 HA HIS A 64 2.045 10.575 -5.882 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.771 10.889 -7.091 1.00 0.00 H new ATOM 0 HB3 HIS A 64 3.763 9.594 -7.706 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.451 10.223 -8.863 1.00 0.00 H new ATOM 0 HE1 HIS A 64 2.163 14.290 -9.557 1.00 0.00 H new ATOM 0 HE2 HIS A 64 0.673 12.301 -10.106 1.00 0.00 H new ATOM 896 N ILE A 65 4.230 8.791 -4.369 1.00 0.00 N ATOM 897 CA ILE A 65 4.524 7.474 -3.816 1.00 0.00 C ATOM 898 C ILE A 65 4.290 7.447 -2.309 1.00 0.00 C ATOM 899 O ILE A 65 5.168 7.815 -1.529 1.00 0.00 O ATOM 900 CB ILE A 65 5.976 7.053 -4.107 1.00 0.00 C ATOM 901 CG1 ILE A 65 6.238 7.055 -5.614 1.00 0.00 C ATOM 902 CG2 ILE A 65 6.257 5.679 -3.516 1.00 0.00 C ATOM 903 CD1 ILE A 65 7.703 7.170 -5.972 1.00 0.00 C ATOM 0 H ILE A 65 4.770 9.552 -3.957 1.00 0.00 H new ATOM 0 HA ILE A 65 3.847 6.770 -4.299 1.00 0.00 H new ATOM 0 HB ILE A 65 6.649 7.772 -3.640 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.838 6.138 -6.045 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.695 7.884 -6.068 1.00 0.00 H new ATOM 0 HG21 ILE A 65 7.287 5.395 -3.730 1.00 0.00 H new ATOM 0 HG22 ILE A 65 6.105 5.709 -2.437 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.580 4.948 -3.957 1.00 0.00 H new ATOM 0 HD11 ILE A 65 7.814 7.165 -7.056 1.00 0.00 H new ATOM 0 HD12 ILE A 65 8.104 8.101 -5.570 1.00 0.00 H new ATOM 0 HD13 ILE A 65 8.249 6.327 -5.548 1.00 0.00 H new ATOM 915 N GLN A 66 3.102 7.007 -1.907 1.00 0.00 N ATOM 916 CA GLN A 66 2.754 6.930 -0.494 1.00 0.00 C ATOM 917 C GLN A 66 2.077 5.602 -0.171 1.00 0.00 C ATOM 918 O GLN A 66 1.854 4.776 -1.056 1.00 0.00 O ATOM 919 CB GLN A 66 1.836 8.091 -0.109 1.00 0.00 C ATOM 920 CG GLN A 66 0.925 8.546 -1.238 1.00 0.00 C ATOM 921 CD GLN A 66 1.620 9.480 -2.208 1.00 0.00 C ATOM 922 OE1 GLN A 66 2.559 10.188 -1.842 1.00 0.00 O ATOM 923 NE2 GLN A 66 1.161 9.488 -3.454 1.00 0.00 N ATOM 0 H GLN A 66 2.364 6.698 -2.540 1.00 0.00 H new ATOM 0 HA GLN A 66 3.675 6.997 0.085 1.00 0.00 H new ATOM 0 HB2 GLN A 66 1.224 7.793 0.743 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.446 8.933 0.216 1.00 0.00 H new ATOM 0 HG2 GLN A 66 0.559 7.673 -1.779 1.00 0.00 H new ATOM 0 HG3 GLN A 66 0.054 9.048 -0.817 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.381 8.885 -3.714 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.589 10.097 -4.151 1.00 0.00 H new ATOM 932 N VAL A 67 1.753 5.403 1.103 1.00 0.00 N ATOM 933 CA VAL A 67 1.100 4.175 1.542 1.00 0.00 C ATOM 934 C VAL A 67 -0.115 3.859 0.678 1.00 0.00 C ATOM 935 O VAL A 67 -0.594 4.708 -0.072 1.00 0.00 O ATOM 936 CB VAL A 67 0.659 4.271 3.015 1.00 0.00 C ATOM 937 CG1 VAL A 67 1.836 4.645 3.902 1.00 0.00 C ATOM 938 CG2 VAL A 67 -0.475 5.274 3.167 1.00 0.00 C ATOM 0 H VAL A 67 1.932 6.076 1.849 1.00 0.00 H new ATOM 0 HA VAL A 67 1.831 3.373 1.441 1.00 0.00 H new ATOM 0 HB VAL A 67 0.294 3.294 3.331 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.505 4.708 4.939 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.613 3.886 3.815 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.235 5.610 3.589 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.774 5.329 4.214 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.139 6.256 2.833 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.325 4.956 2.563 1.00 0.00 H new ATOM 948 N ASN A 68 -0.610 2.630 0.789 1.00 0.00 N ATOM 949 CA ASN A 68 -1.771 2.201 0.018 1.00 0.00 C ATOM 950 C ASN A 68 -1.457 2.188 -1.475 1.00 0.00 C ATOM 951 O ASN A 68 -2.297 2.546 -2.300 1.00 0.00 O ATOM 952 CB ASN A 68 -2.961 3.123 0.292 1.00 0.00 C ATOM 953 CG ASN A 68 -3.315 3.187 1.765 1.00 0.00 C ATOM 954 OD1 ASN A 68 -2.797 2.417 2.573 1.00 0.00 O ATOM 955 ND2 ASN A 68 -4.203 4.109 2.120 1.00 0.00 N ATOM 0 H ASN A 68 -0.225 1.914 1.405 1.00 0.00 H new ATOM 0 HA ASN A 68 -2.027 1.188 0.327 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -2.731 4.126 -0.067 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -3.826 2.773 -0.272 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -4.481 4.200 3.097 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -4.607 4.726 1.415 1.00 0.00 H new ATOM 962 N ASP A 69 -0.242 1.771 -1.815 1.00 0.00 N ATOM 963 CA ASP A 69 0.184 1.709 -3.208 1.00 0.00 C ATOM 964 C ASP A 69 0.812 0.356 -3.525 1.00 0.00 C ATOM 965 O ASP A 69 1.283 -0.347 -2.630 1.00 0.00 O ATOM 966 CB ASP A 69 1.179 2.831 -3.511 1.00 0.00 C ATOM 967 CG ASP A 69 0.491 4.126 -3.896 1.00 0.00 C ATOM 968 OD1 ASP A 69 -0.038 4.203 -5.024 1.00 0.00 O ATOM 969 OD2 ASP A 69 0.484 5.063 -3.070 1.00 0.00 O ATOM 0 H ASP A 69 0.465 1.471 -1.144 1.00 0.00 H new ATOM 0 HA ASP A 69 -0.697 1.836 -3.837 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.806 3.002 -2.636 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.839 2.519 -4.320 1.00 0.00 H new ATOM 974 N LYS A 70 0.816 -0.004 -4.804 1.00 0.00 N ATOM 975 CA LYS A 70 1.387 -1.273 -5.240 1.00 0.00 C ATOM 976 C LYS A 70 2.538 -1.046 -6.215 1.00 0.00 C ATOM 977 O LYS A 70 2.382 -0.358 -7.224 1.00 0.00 O ATOM 978 CB LYS A 70 0.311 -2.140 -5.898 1.00 0.00 C ATOM 979 CG LYS A 70 0.577 -3.631 -5.784 1.00 0.00 C ATOM 980 CD LYS A 70 -0.219 -4.420 -6.810 1.00 0.00 C ATOM 981 CE LYS A 70 0.553 -4.582 -8.111 1.00 0.00 C ATOM 982 NZ LYS A 70 -0.354 -4.812 -9.269 1.00 0.00 N ATOM 0 H LYS A 70 0.430 0.565 -5.557 1.00 0.00 H new ATOM 0 HA LYS A 70 1.775 -1.789 -4.362 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -0.653 -1.916 -5.442 1.00 0.00 H new ATOM 0 HB3 LYS A 70 0.235 -1.873 -6.952 1.00 0.00 H new ATOM 0 HG2 LYS A 70 1.641 -3.823 -5.922 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.319 -3.972 -4.781 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.463 -5.402 -6.406 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.164 -3.913 -7.007 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.153 -3.690 -8.291 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.246 -5.419 -8.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.210 -4.917 -10.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.908 -5.677 -9.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.998 -4.002 -9.371 1.00 0.00 H new ATOM 996 N ILE A 71 3.691 -1.629 -5.907 1.00 0.00 N ATOM 997 CA ILE A 71 4.867 -1.491 -6.758 1.00 0.00 C ATOM 998 C ILE A 71 4.977 -2.655 -7.736 1.00 0.00 C ATOM 999 O ILE A 71 5.007 -3.818 -7.333 1.00 0.00 O ATOM 1000 CB ILE A 71 6.159 -1.412 -5.924 1.00 0.00 C ATOM 1001 CG1 ILE A 71 6.036 -0.326 -4.853 1.00 0.00 C ATOM 1002 CG2 ILE A 71 7.355 -1.142 -6.824 1.00 0.00 C ATOM 1003 CD1 ILE A 71 7.096 -0.414 -3.778 1.00 0.00 C ATOM 0 H ILE A 71 3.836 -2.201 -5.075 1.00 0.00 H new ATOM 0 HA ILE A 71 4.746 -0.562 -7.315 1.00 0.00 H new ATOM 0 HB ILE A 71 6.312 -2.370 -5.427 1.00 0.00 H new ATOM 0 HG12 ILE A 71 6.095 0.652 -5.331 1.00 0.00 H new ATOM 0 HG13 ILE A 71 5.052 -0.395 -4.388 1.00 0.00 H new ATOM 0 HG21 ILE A 71 8.261 -1.089 -6.220 1.00 0.00 H new ATOM 0 HG22 ILE A 71 7.451 -1.947 -7.552 1.00 0.00 H new ATOM 0 HG23 ILE A 71 7.211 -0.196 -7.346 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.947 0.387 -3.053 1.00 0.00 H new ATOM 0 HD12 ILE A 71 7.024 -1.378 -3.274 1.00 0.00 H new ATOM 0 HD13 ILE A 71 8.083 -0.314 -4.231 1.00 0.00 H new ATOM 1015 N VAL A 72 5.038 -2.335 -9.025 1.00 0.00 N ATOM 1016 CA VAL A 72 5.148 -3.354 -10.062 1.00 0.00 C ATOM 1017 C VAL A 72 6.574 -3.447 -10.591 1.00 0.00 C ATOM 1018 O VAL A 72 7.045 -4.527 -10.947 1.00 0.00 O ATOM 1019 CB VAL A 72 4.194 -3.065 -11.236 1.00 0.00 C ATOM 1020 CG1 VAL A 72 2.770 -3.465 -10.879 1.00 0.00 C ATOM 1021 CG2 VAL A 72 4.261 -1.596 -11.627 1.00 0.00 C ATOM 0 H VAL A 72 5.013 -1.378 -9.376 1.00 0.00 H new ATOM 0 HA VAL A 72 4.871 -4.303 -9.604 1.00 0.00 H new ATOM 0 HB VAL A 72 4.509 -3.661 -12.092 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.111 -3.253 -11.721 1.00 0.00 H new ATOM 0 HG12 VAL A 72 2.738 -4.531 -10.652 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.440 -2.898 -10.008 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.581 -1.409 -12.458 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.972 -0.979 -10.776 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.278 -1.346 -11.928 1.00 0.00 H new ATOM 1031 N ALA A 73 7.257 -2.308 -10.640 1.00 0.00 N ATOM 1032 CA ALA A 73 8.631 -2.262 -11.124 1.00 0.00 C ATOM 1033 C ALA A 73 9.409 -1.129 -10.462 1.00 0.00 C ATOM 1034 O ALA A 73 8.838 -0.101 -10.098 1.00 0.00 O ATOM 1035 CB ALA A 73 8.653 -2.105 -12.637 1.00 0.00 C ATOM 0 H ALA A 73 6.881 -1.405 -10.350 1.00 0.00 H new ATOM 0 HA ALA A 73 9.114 -3.203 -10.860 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.686 -2.072 -12.984 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.142 -2.950 -13.098 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.147 -1.180 -12.914 1.00 0.00 H new ATOM 1041 N VAL A 74 10.714 -1.325 -10.307 1.00 0.00 N ATOM 1042 CA VAL A 74 11.570 -0.319 -9.689 1.00 0.00 C ATOM 1043 C VAL A 74 12.828 -0.084 -10.516 1.00 0.00 C ATOM 1044 O VAL A 74 13.705 -0.945 -10.590 1.00 0.00 O ATOM 1045 CB VAL A 74 11.977 -0.730 -8.261 1.00 0.00 C ATOM 1046 CG1 VAL A 74 12.812 0.361 -7.609 1.00 0.00 C ATOM 1047 CG2 VAL A 74 10.745 -1.042 -7.425 1.00 0.00 C ATOM 0 H VAL A 74 11.202 -2.171 -10.601 1.00 0.00 H new ATOM 0 HA VAL A 74 10.992 0.604 -9.643 1.00 0.00 H new ATOM 0 HB VAL A 74 12.585 -1.633 -8.321 1.00 0.00 H new ATOM 0 HG11 VAL A 74 13.090 0.053 -6.601 1.00 0.00 H new ATOM 0 HG12 VAL A 74 13.713 0.531 -8.198 1.00 0.00 H new ATOM 0 HG13 VAL A 74 12.232 1.283 -7.560 1.00 0.00 H new ATOM 0 HG21 VAL A 74 11.051 -1.330 -6.419 1.00 0.00 H new ATOM 0 HG22 VAL A 74 10.109 -0.159 -7.371 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.191 -1.861 -7.885 1.00 0.00 H new ATOM 1057 N ASP A 75 12.911 1.087 -11.137 1.00 0.00 N ATOM 1058 CA ASP A 75 14.063 1.437 -11.960 1.00 0.00 C ATOM 1059 C ASP A 75 14.199 0.481 -13.140 1.00 0.00 C ATOM 1060 O ASP A 75 15.305 0.092 -13.514 1.00 0.00 O ATOM 1061 CB ASP A 75 15.342 1.415 -11.120 1.00 0.00 C ATOM 1062 CG ASP A 75 15.617 2.747 -10.450 1.00 0.00 C ATOM 1063 OD1 ASP A 75 14.816 3.152 -9.583 1.00 0.00 O ATOM 1064 OD2 ASP A 75 16.635 3.385 -10.794 1.00 0.00 O ATOM 0 H ASP A 75 12.194 1.811 -11.086 1.00 0.00 H new ATOM 0 HA ASP A 75 13.909 2.444 -12.348 1.00 0.00 H new ATOM 0 HB2 ASP A 75 15.260 0.639 -10.359 1.00 0.00 H new ATOM 0 HB3 ASP A 75 16.187 1.150 -11.756 1.00 0.00 H new ATOM 1069 N GLY A 76 13.065 0.104 -13.724 1.00 0.00 N ATOM 1070 CA GLY A 76 13.080 -0.805 -14.855 1.00 0.00 C ATOM 1071 C GLY A 76 13.324 -2.242 -14.441 1.00 0.00 C ATOM 1072 O GLY A 76 13.808 -3.051 -15.234 1.00 0.00 O ATOM 0 H GLY A 76 12.137 0.412 -13.434 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.129 -0.739 -15.383 1.00 0.00 H new ATOM 0 HA3 GLY A 76 13.855 -0.495 -15.556 1.00 0.00 H new ATOM 1076 N VAL A 77 12.991 -2.563 -13.195 1.00 0.00 N ATOM 1077 CA VAL A 77 13.177 -3.912 -12.676 1.00 0.00 C ATOM 1078 C VAL A 77 11.848 -4.526 -12.251 1.00 0.00 C ATOM 1079 O VAL A 77 11.264 -4.129 -11.243 1.00 0.00 O ATOM 1080 CB VAL A 77 14.143 -3.924 -11.476 1.00 0.00 C ATOM 1081 CG1 VAL A 77 14.204 -5.311 -10.854 1.00 0.00 C ATOM 1082 CG2 VAL A 77 15.528 -3.461 -11.903 1.00 0.00 C ATOM 0 H VAL A 77 12.590 -1.906 -12.526 1.00 0.00 H new ATOM 0 HA VAL A 77 13.606 -4.505 -13.484 1.00 0.00 H new ATOM 0 HB VAL A 77 13.769 -3.230 -10.723 1.00 0.00 H new ATOM 0 HG11 VAL A 77 14.891 -5.300 -10.008 1.00 0.00 H new ATOM 0 HG12 VAL A 77 13.211 -5.600 -10.511 1.00 0.00 H new ATOM 0 HG13 VAL A 77 14.554 -6.028 -11.597 1.00 0.00 H new ATOM 0 HG21 VAL A 77 16.198 -3.476 -11.043 1.00 0.00 H new ATOM 0 HG22 VAL A 77 15.913 -4.128 -12.674 1.00 0.00 H new ATOM 0 HG23 VAL A 77 15.467 -2.447 -12.298 1.00 0.00 H new ATOM 1092 N ASN A 78 11.376 -5.497 -13.025 1.00 0.00 N ATOM 1093 CA ASN A 78 10.115 -6.167 -12.729 1.00 0.00 C ATOM 1094 C ASN A 78 10.199 -6.927 -11.409 1.00 0.00 C ATOM 1095 O ASN A 78 10.633 -8.079 -11.371 1.00 0.00 O ATOM 1096 CB ASN A 78 9.745 -7.128 -13.860 1.00 0.00 C ATOM 1097 CG ASN A 78 8.339 -7.677 -13.717 1.00 0.00 C ATOM 1098 OD1 ASN A 78 8.134 -8.748 -13.146 1.00 0.00 O ATOM 1099 ND2 ASN A 78 7.361 -6.942 -14.236 1.00 0.00 N ATOM 0 H ASN A 78 11.848 -5.838 -13.863 1.00 0.00 H new ATOM 0 HA ASN A 78 9.341 -5.405 -12.641 1.00 0.00 H new ATOM 0 HB2 ASN A 78 9.835 -6.611 -14.816 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.455 -7.955 -13.877 1.00 0.00 H new ATOM 0 HD21 ASN A 78 6.394 -7.260 -14.170 1.00 0.00 H new ATOM 0 HD22 ASN A 78 7.577 -6.060 -14.701 1.00 0.00 H new ATOM 1106 N ILE A 79 9.783 -6.274 -10.329 1.00 0.00 N ATOM 1107 CA ILE A 79 9.810 -6.889 -9.007 1.00 0.00 C ATOM 1108 C ILE A 79 8.519 -7.652 -8.729 1.00 0.00 C ATOM 1109 O ILE A 79 8.274 -8.085 -7.604 1.00 0.00 O ATOM 1110 CB ILE A 79 10.020 -5.837 -7.902 1.00 0.00 C ATOM 1111 CG1 ILE A 79 8.804 -4.913 -7.809 1.00 0.00 C ATOM 1112 CG2 ILE A 79 11.284 -5.034 -8.168 1.00 0.00 C ATOM 1113 CD1 ILE A 79 8.574 -4.354 -6.423 1.00 0.00 C ATOM 0 H ILE A 79 9.423 -5.320 -10.343 1.00 0.00 H new ATOM 0 HA ILE A 79 10.649 -7.585 -8.999 1.00 0.00 H new ATOM 0 HB ILE A 79 10.135 -6.352 -6.948 1.00 0.00 H new ATOM 0 HG12 ILE A 79 8.931 -4.087 -8.509 1.00 0.00 H new ATOM 0 HG13 ILE A 79 7.916 -5.462 -8.122 1.00 0.00 H new ATOM 0 HG21 ILE A 79 11.418 -4.295 -7.378 1.00 0.00 H new ATOM 0 HG22 ILE A 79 12.143 -5.704 -8.188 1.00 0.00 H new ATOM 0 HG23 ILE A 79 11.197 -4.527 -9.129 1.00 0.00 H new ATOM 0 HD11 ILE A 79 7.696 -3.708 -6.432 1.00 0.00 H new ATOM 0 HD12 ILE A 79 8.414 -5.173 -5.722 1.00 0.00 H new ATOM 0 HD13 ILE A 79 9.446 -3.777 -6.114 1.00 0.00 H new ATOM 1125 N GLN A 80 7.699 -7.814 -9.763 1.00 0.00 N ATOM 1126 CA GLN A 80 6.434 -8.526 -9.629 1.00 0.00 C ATOM 1127 C GLN A 80 6.661 -9.951 -9.136 1.00 0.00 C ATOM 1128 O GLN A 80 6.632 -10.901 -9.917 1.00 0.00 O ATOM 1129 CB GLN A 80 5.694 -8.548 -10.968 1.00 0.00 C ATOM 1130 CG GLN A 80 5.150 -7.192 -11.385 1.00 0.00 C ATOM 1131 CD GLN A 80 4.132 -7.290 -12.505 1.00 0.00 C ATOM 1132 OE1 GLN A 80 3.395 -6.210 -12.732 1.00 0.00 O flip ATOM 1133 NE2 GLN A 80 4.011 -8.326 -13.159 1.00 0.00 N flip ATOM 0 H GLN A 80 7.888 -7.462 -10.702 1.00 0.00 H new ATOM 0 HA GLN A 80 5.825 -8.000 -8.894 1.00 0.00 H new ATOM 0 HB2 GLN A 80 6.370 -8.912 -11.741 1.00 0.00 H new ATOM 0 HB3 GLN A 80 4.869 -9.258 -10.906 1.00 0.00 H new ATOM 0 HG2 GLN A 80 4.690 -6.709 -10.523 1.00 0.00 H new ATOM 0 HG3 GLN A 80 5.976 -6.556 -11.704 1.00 0.00 H new ATOM 0 HE21 GLN A 80 4.599 -9.133 -12.950 1.00 0.00 H new ATOM 0 HE22 GLN A 80 3.323 -8.378 -13.910 1.00 0.00 H new ATOM 1142 N GLY A 81 6.887 -10.092 -7.833 1.00 0.00 N ATOM 1143 CA GLY A 81 7.116 -11.405 -7.258 1.00 0.00 C ATOM 1144 C GLY A 81 8.443 -11.496 -6.532 1.00 0.00 C ATOM 1145 O GLY A 81 8.943 -12.590 -6.271 1.00 0.00 O ATOM 0 H GLY A 81 6.916 -9.321 -7.166 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.309 -11.640 -6.564 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.086 -12.155 -8.049 1.00 0.00 H new ATOM 1149 N PHE A 82 9.017 -10.343 -6.205 1.00 0.00 N ATOM 1150 CA PHE A 82 10.296 -10.296 -5.506 1.00 0.00 C ATOM 1151 C PHE A 82 10.092 -10.344 -3.994 1.00 0.00 C ATOM 1152 O PHE A 82 9.083 -9.864 -3.478 1.00 0.00 O ATOM 1153 CB PHE A 82 11.065 -9.030 -5.888 1.00 0.00 C ATOM 1154 CG PHE A 82 11.875 -9.177 -7.145 1.00 0.00 C ATOM 1155 CD1 PHE A 82 11.570 -10.162 -8.070 1.00 0.00 C ATOM 1156 CD2 PHE A 82 12.942 -8.331 -7.400 1.00 0.00 C ATOM 1157 CE1 PHE A 82 12.313 -10.300 -9.228 1.00 0.00 C ATOM 1158 CE2 PHE A 82 13.688 -8.464 -8.556 1.00 0.00 C ATOM 1159 CZ PHE A 82 13.374 -9.450 -9.470 1.00 0.00 C ATOM 0 H PHE A 82 8.617 -9.428 -6.413 1.00 0.00 H new ATOM 0 HA PHE A 82 10.876 -11.169 -5.805 1.00 0.00 H new ATOM 0 HB2 PHE A 82 10.359 -8.210 -6.014 1.00 0.00 H new ATOM 0 HB3 PHE A 82 11.728 -8.756 -5.068 1.00 0.00 H new ATOM 0 HD1 PHE A 82 10.742 -10.830 -7.885 1.00 0.00 H new ATOM 0 HD2 PHE A 82 13.194 -7.559 -6.688 1.00 0.00 H new ATOM 0 HE1 PHE A 82 12.064 -11.071 -9.942 1.00 0.00 H new ATOM 0 HE2 PHE A 82 14.516 -7.797 -8.744 1.00 0.00 H new ATOM 0 HZ PHE A 82 13.957 -9.556 -10.373 1.00 0.00 H new ATOM 1169 N ALA A 83 11.058 -10.926 -3.291 1.00 0.00 N ATOM 1170 CA ALA A 83 10.985 -11.036 -1.839 1.00 0.00 C ATOM 1171 C ALA A 83 11.237 -9.687 -1.174 1.00 0.00 C ATOM 1172 O ALA A 83 12.028 -8.881 -1.663 1.00 0.00 O ATOM 1173 CB ALA A 83 11.984 -12.068 -1.337 1.00 0.00 C ATOM 0 H ALA A 83 11.900 -11.328 -3.703 1.00 0.00 H new ATOM 0 HA ALA A 83 9.979 -11.361 -1.574 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.919 -12.140 -0.251 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.758 -13.038 -1.779 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.992 -11.766 -1.621 1.00 0.00 H new ATOM 1179 N ASN A 84 10.558 -9.448 -0.056 1.00 0.00 N ATOM 1180 CA ASN A 84 10.708 -8.195 0.675 1.00 0.00 C ATOM 1181 C ASN A 84 12.141 -7.680 0.584 1.00 0.00 C ATOM 1182 O ASN A 84 12.389 -6.592 0.064 1.00 0.00 O ATOM 1183 CB ASN A 84 10.314 -8.386 2.141 1.00 0.00 C ATOM 1184 CG ASN A 84 8.837 -8.143 2.380 1.00 0.00 C ATOM 1185 OD1 ASN A 84 8.026 -9.067 2.316 1.00 0.00 O ATOM 1186 ND2 ASN A 84 8.481 -6.894 2.658 1.00 0.00 N ATOM 0 H ASN A 84 9.899 -10.105 0.363 1.00 0.00 H new ATOM 0 HA ASN A 84 10.047 -7.457 0.221 1.00 0.00 H new ATOM 0 HB2 ASN A 84 10.568 -9.399 2.453 1.00 0.00 H new ATOM 0 HB3 ASN A 84 10.896 -7.706 2.762 1.00 0.00 H new ATOM 0 HD21 ASN A 84 7.501 -6.669 2.829 1.00 0.00 H new ATOM 0 HD22 ASN A 84 9.188 -6.160 2.701 1.00 0.00 H new ATOM 1193 N HIS A 85 13.081 -8.469 1.094 1.00 0.00 N ATOM 1194 CA HIS A 85 14.490 -8.093 1.070 1.00 0.00 C ATOM 1195 C HIS A 85 14.971 -7.882 -0.362 1.00 0.00 C ATOM 1196 O HIS A 85 15.662 -6.906 -0.658 1.00 0.00 O ATOM 1197 CB HIS A 85 15.338 -9.168 1.752 1.00 0.00 C ATOM 1198 CG HIS A 85 14.771 -10.548 1.625 1.00 0.00 C ATOM 1199 ND1 HIS A 85 13.972 -11.125 2.590 1.00 0.00 N ATOM 1200 CD2 HIS A 85 14.890 -11.467 0.639 1.00 0.00 C ATOM 1201 CE1 HIS A 85 13.625 -12.339 2.203 1.00 0.00 C ATOM 1202 NE2 HIS A 85 14.169 -12.571 1.021 1.00 0.00 N ATOM 0 H HIS A 85 12.893 -9.372 1.529 1.00 0.00 H new ATOM 0 HA HIS A 85 14.600 -7.155 1.614 1.00 0.00 H new ATOM 0 HB2 HIS A 85 16.340 -9.155 1.323 1.00 0.00 H new ATOM 0 HB3 HIS A 85 15.440 -8.922 2.809 1.00 0.00 H new ATOM 0 HD2 HIS A 85 15.449 -11.353 -0.278 1.00 0.00 H new ATOM 0 HE1 HIS A 85 13.003 -13.025 2.758 1.00 0.00 H new ATOM 0 HE2 HIS A 85 14.069 -13.430 0.481 1.00 0.00 H new ATOM 1211 N ASP A 86 14.603 -8.802 -1.247 1.00 0.00 N ATOM 1212 CA ASP A 86 14.997 -8.717 -2.648 1.00 0.00 C ATOM 1213 C ASP A 86 14.634 -7.355 -3.232 1.00 0.00 C ATOM 1214 O ASP A 86 15.296 -6.863 -4.147 1.00 0.00 O ATOM 1215 CB ASP A 86 14.326 -9.828 -3.457 1.00 0.00 C ATOM 1216 CG ASP A 86 15.162 -11.091 -3.510 1.00 0.00 C ATOM 1217 OD1 ASP A 86 15.805 -11.420 -2.491 1.00 0.00 O ATOM 1218 OD2 ASP A 86 15.173 -11.751 -4.570 1.00 0.00 O ATOM 0 H ASP A 86 14.032 -9.616 -1.019 1.00 0.00 H new ATOM 0 HA ASP A 86 16.079 -8.840 -2.704 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.355 -10.057 -3.018 1.00 0.00 H new ATOM 0 HB3 ASP A 86 14.142 -9.474 -4.472 1.00 0.00 H new ATOM 1223 N VAL A 87 13.577 -6.750 -2.699 1.00 0.00 N ATOM 1224 CA VAL A 87 13.126 -5.445 -3.167 1.00 0.00 C ATOM 1225 C VAL A 87 13.915 -4.321 -2.506 1.00 0.00 C ATOM 1226 O VAL A 87 14.193 -3.295 -3.126 1.00 0.00 O ATOM 1227 CB VAL A 87 11.626 -5.237 -2.888 1.00 0.00 C ATOM 1228 CG1 VAL A 87 11.191 -3.844 -3.318 1.00 0.00 C ATOM 1229 CG2 VAL A 87 10.800 -6.303 -3.593 1.00 0.00 C ATOM 0 H VAL A 87 13.017 -7.143 -1.943 1.00 0.00 H new ATOM 0 HA VAL A 87 13.295 -5.419 -4.243 1.00 0.00 H new ATOM 0 HB VAL A 87 11.458 -5.330 -1.815 1.00 0.00 H new ATOM 0 HG11 VAL A 87 10.128 -3.715 -3.113 1.00 0.00 H new ATOM 0 HG12 VAL A 87 11.760 -3.098 -2.764 1.00 0.00 H new ATOM 0 HG13 VAL A 87 11.372 -3.720 -4.386 1.00 0.00 H new ATOM 0 HG21 VAL A 87 9.742 -6.141 -3.385 1.00 0.00 H new ATOM 0 HG22 VAL A 87 10.971 -6.244 -4.668 1.00 0.00 H new ATOM 0 HG23 VAL A 87 11.094 -7.289 -3.232 1.00 0.00 H new ATOM 1239 N VAL A 88 14.275 -4.522 -1.242 1.00 0.00 N ATOM 1240 CA VAL A 88 15.035 -3.526 -0.496 1.00 0.00 C ATOM 1241 C VAL A 88 16.382 -3.254 -1.156 1.00 0.00 C ATOM 1242 O VAL A 88 16.818 -2.107 -1.250 1.00 0.00 O ATOM 1243 CB VAL A 88 15.269 -3.973 0.959 1.00 0.00 C ATOM 1244 CG1 VAL A 88 16.078 -2.930 1.715 1.00 0.00 C ATOM 1245 CG2 VAL A 88 13.943 -4.238 1.655 1.00 0.00 C ATOM 0 H VAL A 88 14.052 -5.365 -0.713 1.00 0.00 H new ATOM 0 HA VAL A 88 14.443 -2.611 -0.496 1.00 0.00 H new ATOM 0 HB VAL A 88 15.839 -4.902 0.948 1.00 0.00 H new ATOM 0 HG11 VAL A 88 16.233 -3.263 2.741 1.00 0.00 H new ATOM 0 HG12 VAL A 88 17.043 -2.795 1.227 1.00 0.00 H new ATOM 0 HG13 VAL A 88 15.538 -1.983 1.719 1.00 0.00 H new ATOM 0 HG21 VAL A 88 14.128 -4.553 2.682 1.00 0.00 H new ATOM 0 HG22 VAL A 88 13.345 -3.327 1.657 1.00 0.00 H new ATOM 0 HG23 VAL A 88 13.405 -5.024 1.126 1.00 0.00 H new ATOM 1255 N GLU A 89 17.036 -4.317 -1.613 1.00 0.00 N ATOM 1256 CA GLU A 89 18.335 -4.193 -2.264 1.00 0.00 C ATOM 1257 C GLU A 89 18.202 -3.488 -3.612 1.00 0.00 C ATOM 1258 O GLU A 89 19.112 -2.784 -4.049 1.00 0.00 O ATOM 1259 CB GLU A 89 18.967 -5.572 -2.458 1.00 0.00 C ATOM 1260 CG GLU A 89 18.212 -6.457 -3.436 1.00 0.00 C ATOM 1261 CD GLU A 89 19.097 -7.509 -4.075 1.00 0.00 C ATOM 1262 OE1 GLU A 89 20.313 -7.260 -4.210 1.00 0.00 O ATOM 1263 OE2 GLU A 89 18.573 -8.582 -4.440 1.00 0.00 O ATOM 0 H GLU A 89 16.688 -5.273 -1.545 1.00 0.00 H new ATOM 0 HA GLU A 89 18.980 -3.594 -1.621 1.00 0.00 H new ATOM 0 HB2 GLU A 89 19.991 -5.447 -2.811 1.00 0.00 H new ATOM 0 HB3 GLU A 89 19.022 -6.076 -1.493 1.00 0.00 H new ATOM 0 HG2 GLU A 89 17.389 -6.947 -2.916 1.00 0.00 H new ATOM 0 HG3 GLU A 89 17.771 -5.836 -4.216 1.00 0.00 H new ATOM 1270 N VAL A 90 17.061 -3.684 -4.266 1.00 0.00 N ATOM 1271 CA VAL A 90 16.808 -3.068 -5.563 1.00 0.00 C ATOM 1272 C VAL A 90 16.725 -1.551 -5.443 1.00 0.00 C ATOM 1273 O VAL A 90 17.321 -0.821 -6.237 1.00 0.00 O ATOM 1274 CB VAL A 90 15.503 -3.595 -6.189 1.00 0.00 C ATOM 1275 CG1 VAL A 90 15.202 -2.865 -7.489 1.00 0.00 C ATOM 1276 CG2 VAL A 90 15.592 -5.096 -6.420 1.00 0.00 C ATOM 0 H VAL A 90 16.298 -4.264 -3.919 1.00 0.00 H new ATOM 0 HA VAL A 90 17.645 -3.333 -6.209 1.00 0.00 H new ATOM 0 HB VAL A 90 14.684 -3.405 -5.495 1.00 0.00 H new ATOM 0 HG11 VAL A 90 14.277 -3.251 -7.917 1.00 0.00 H new ATOM 0 HG12 VAL A 90 15.094 -1.799 -7.291 1.00 0.00 H new ATOM 0 HG13 VAL A 90 16.020 -3.022 -8.192 1.00 0.00 H new ATOM 0 HG21 VAL A 90 14.662 -5.452 -6.863 1.00 0.00 H new ATOM 0 HG22 VAL A 90 16.421 -5.312 -7.094 1.00 0.00 H new ATOM 0 HG23 VAL A 90 15.758 -5.601 -5.469 1.00 0.00 H new ATOM 1286 N LEU A 91 15.983 -1.081 -4.446 1.00 0.00 N ATOM 1287 CA LEU A 91 15.822 0.351 -4.222 1.00 0.00 C ATOM 1288 C LEU A 91 17.163 1.008 -3.909 1.00 0.00 C ATOM 1289 O LEU A 91 17.467 2.090 -4.412 1.00 0.00 O ATOM 1290 CB LEU A 91 14.840 0.600 -3.075 1.00 0.00 C ATOM 1291 CG LEU A 91 13.476 -0.080 -3.200 1.00 0.00 C ATOM 1292 CD1 LEU A 91 12.796 -0.166 -1.842 1.00 0.00 C ATOM 1293 CD2 LEU A 91 12.597 0.665 -4.193 1.00 0.00 C ATOM 0 H LEU A 91 15.484 -1.671 -3.780 1.00 0.00 H new ATOM 0 HA LEU A 91 15.426 0.794 -5.136 1.00 0.00 H new ATOM 0 HB2 LEU A 91 15.305 0.269 -2.147 1.00 0.00 H new ATOM 0 HB3 LEU A 91 14.681 1.675 -2.986 1.00 0.00 H new ATOM 0 HG LEU A 91 13.629 -1.093 -3.571 1.00 0.00 H new ATOM 0 HD11 LEU A 91 11.827 -0.653 -1.951 1.00 0.00 H new ATOM 0 HD12 LEU A 91 13.418 -0.745 -1.159 1.00 0.00 H new ATOM 0 HD13 LEU A 91 12.655 0.838 -1.441 1.00 0.00 H new ATOM 0 HD21 LEU A 91 11.631 0.167 -4.269 1.00 0.00 H new ATOM 0 HD22 LEU A 91 12.451 1.690 -3.852 1.00 0.00 H new ATOM 0 HD23 LEU A 91 13.079 0.673 -5.171 1.00 0.00 H new ATOM 1305 N ARG A 92 17.961 0.346 -3.078 1.00 0.00 N ATOM 1306 CA ARG A 92 19.270 0.864 -2.700 1.00 0.00 C ATOM 1307 C ARG A 92 20.199 0.930 -3.909 1.00 0.00 C ATOM 1308 O ARG A 92 20.988 1.863 -4.047 1.00 0.00 O ATOM 1309 CB ARG A 92 19.893 -0.010 -1.611 1.00 0.00 C ATOM 1310 CG ARG A 92 19.097 -0.031 -0.316 1.00 0.00 C ATOM 1311 CD ARG A 92 19.694 -1.004 0.689 1.00 0.00 C ATOM 1312 NE ARG A 92 21.103 -0.724 0.952 1.00 0.00 N ATOM 1313 CZ ARG A 92 21.818 -1.355 1.877 1.00 0.00 C ATOM 1314 NH1 ARG A 92 21.258 -2.297 2.623 1.00 0.00 N ATOM 1315 NH2 ARG A 92 23.095 -1.044 2.056 1.00 0.00 N ATOM 0 H ARG A 92 17.724 -0.551 -2.653 1.00 0.00 H new ATOM 0 HA ARG A 92 19.135 1.874 -2.312 1.00 0.00 H new ATOM 0 HB2 ARG A 92 19.988 -1.029 -1.985 1.00 0.00 H new ATOM 0 HB3 ARG A 92 20.901 0.348 -1.402 1.00 0.00 H new ATOM 0 HG2 ARG A 92 19.074 0.970 0.115 1.00 0.00 H new ATOM 0 HG3 ARG A 92 18.065 -0.311 -0.527 1.00 0.00 H new ATOM 0 HD2 ARG A 92 19.134 -0.950 1.622 1.00 0.00 H new ATOM 0 HD3 ARG A 92 19.591 -2.022 0.313 1.00 0.00 H new ATOM 0 HE ARG A 92 21.563 -0.004 0.395 1.00 0.00 H new ATOM 0 HH11 ARG A 92 20.276 -2.539 2.487 1.00 0.00 H new ATOM 0 HH12 ARG A 92 21.809 -2.780 3.333 1.00 0.00 H new ATOM 0 HH21 ARG A 92 23.529 -0.320 1.483 1.00 0.00 H new ATOM 0 HH22 ARG A 92 23.643 -1.529 2.766 1.00 0.00 H new ATOM 1329 N ASN A 93 20.098 -0.068 -4.781 1.00 0.00 N ATOM 1330 CA ASN A 93 20.930 -0.125 -5.977 1.00 0.00 C ATOM 1331 C ASN A 93 20.633 1.052 -6.902 1.00 0.00 C ATOM 1332 O ASN A 93 21.520 1.550 -7.593 1.00 0.00 O ATOM 1333 CB ASN A 93 20.702 -1.442 -6.720 1.00 0.00 C ATOM 1334 CG ASN A 93 21.557 -2.570 -6.174 1.00 0.00 C ATOM 1335 OD1 ASN A 93 22.784 -2.535 -6.270 1.00 0.00 O ATOM 1336 ND2 ASN A 93 20.911 -3.576 -5.598 1.00 0.00 N ATOM 0 H ASN A 93 19.448 -0.848 -4.682 1.00 0.00 H new ATOM 0 HA ASN A 93 21.973 -0.067 -5.667 1.00 0.00 H new ATOM 0 HB2 ASN A 93 19.650 -1.719 -6.648 1.00 0.00 H new ATOM 0 HB3 ASN A 93 20.923 -1.302 -7.778 1.00 0.00 H new ATOM 0 HD21 ASN A 93 21.433 -4.363 -5.212 1.00 0.00 H new ATOM 0 HD22 ASN A 93 19.893 -3.562 -5.541 1.00 0.00 H new ATOM 1343 N ALA A 94 19.378 1.491 -6.908 1.00 0.00 N ATOM 1344 CA ALA A 94 18.965 2.610 -7.745 1.00 0.00 C ATOM 1345 C ALA A 94 19.738 3.875 -7.392 1.00 0.00 C ATOM 1346 O ALA A 94 20.121 4.079 -6.240 1.00 0.00 O ATOM 1347 CB ALA A 94 17.468 2.847 -7.607 1.00 0.00 C ATOM 0 H ALA A 94 18.631 1.088 -6.343 1.00 0.00 H new ATOM 0 HA ALA A 94 19.188 2.358 -8.782 1.00 0.00 H new ATOM 0 HB1 ALA A 94 17.173 3.686 -8.237 1.00 0.00 H new ATOM 0 HB2 ALA A 94 16.928 1.952 -7.917 1.00 0.00 H new ATOM 0 HB3 ALA A 94 17.230 3.073 -6.568 1.00 0.00 H new ATOM 1353 N GLY A 95 19.965 4.724 -8.390 1.00 0.00 N ATOM 1354 CA GLY A 95 20.693 5.959 -8.164 1.00 0.00 C ATOM 1355 C GLY A 95 19.773 7.155 -8.016 1.00 0.00 C ATOM 1356 O GLY A 95 18.594 7.003 -7.699 1.00 0.00 O ATOM 0 H GLY A 95 19.657 4.578 -9.352 1.00 0.00 H new ATOM 0 HA2 GLY A 95 21.302 5.859 -7.265 1.00 0.00 H new ATOM 0 HA3 GLY A 95 21.377 6.131 -8.995 1.00 0.00 H new ATOM 1360 N GLN A 96 20.314 8.347 -8.244 1.00 0.00 N ATOM 1361 CA GLN A 96 19.534 9.574 -8.132 1.00 0.00 C ATOM 1362 C GLN A 96 18.166 9.411 -8.787 1.00 0.00 C ATOM 1363 O GLN A 96 17.133 9.529 -8.128 1.00 0.00 O ATOM 1364 CB GLN A 96 20.285 10.741 -8.775 1.00 0.00 C ATOM 1365 CG GLN A 96 19.909 12.097 -8.199 1.00 0.00 C ATOM 1366 CD GLN A 96 20.997 13.134 -8.391 1.00 0.00 C ATOM 1367 OE1 GLN A 96 21.654 13.178 -9.432 1.00 0.00 O ATOM 1368 NE2 GLN A 96 21.195 13.977 -7.384 1.00 0.00 N ATOM 0 H GLN A 96 21.289 8.489 -8.507 1.00 0.00 H new ATOM 0 HA GLN A 96 19.386 9.786 -7.073 1.00 0.00 H new ATOM 0 HB2 GLN A 96 21.357 10.586 -8.649 1.00 0.00 H new ATOM 0 HB3 GLN A 96 20.087 10.743 -9.847 1.00 0.00 H new ATOM 0 HG2 GLN A 96 18.991 12.447 -8.672 1.00 0.00 H new ATOM 0 HG3 GLN A 96 19.698 11.990 -7.135 1.00 0.00 H new ATOM 0 HE21 GLN A 96 20.628 13.905 -6.539 1.00 0.00 H new ATOM 0 HE22 GLN A 96 21.914 14.697 -7.455 1.00 0.00 H new ATOM 1377 N VAL A 97 18.167 9.138 -10.088 1.00 0.00 N ATOM 1378 CA VAL A 97 16.926 8.958 -10.832 1.00 0.00 C ATOM 1379 C VAL A 97 16.278 7.618 -10.503 1.00 0.00 C ATOM 1380 O VAL A 97 16.634 6.587 -11.074 1.00 0.00 O ATOM 1381 CB VAL A 97 17.166 9.041 -12.351 1.00 0.00 C ATOM 1382 CG1 VAL A 97 15.884 8.739 -13.112 1.00 0.00 C ATOM 1383 CG2 VAL A 97 17.711 10.410 -12.730 1.00 0.00 C ATOM 0 H VAL A 97 19.013 9.037 -10.648 1.00 0.00 H new ATOM 0 HA VAL A 97 16.257 9.765 -10.533 1.00 0.00 H new ATOM 0 HB VAL A 97 17.908 8.291 -12.625 1.00 0.00 H new ATOM 0 HG11 VAL A 97 16.073 8.803 -14.184 1.00 0.00 H new ATOM 0 HG12 VAL A 97 15.541 7.735 -12.863 1.00 0.00 H new ATOM 0 HG13 VAL A 97 15.118 9.463 -12.836 1.00 0.00 H new ATOM 0 HG21 VAL A 97 17.875 10.451 -13.807 1.00 0.00 H new ATOM 0 HG22 VAL A 97 16.994 11.179 -12.442 1.00 0.00 H new ATOM 0 HG23 VAL A 97 18.655 10.582 -12.213 1.00 0.00 H new ATOM 1393 N VAL A 98 15.323 7.640 -9.578 1.00 0.00 N ATOM 1394 CA VAL A 98 14.623 6.427 -9.174 1.00 0.00 C ATOM 1395 C VAL A 98 13.237 6.356 -9.806 1.00 0.00 C ATOM 1396 O VAL A 98 12.282 6.949 -9.303 1.00 0.00 O ATOM 1397 CB VAL A 98 14.481 6.345 -7.642 1.00 0.00 C ATOM 1398 CG1 VAL A 98 13.558 5.201 -7.252 1.00 0.00 C ATOM 1399 CG2 VAL A 98 15.846 6.186 -6.989 1.00 0.00 C ATOM 0 H VAL A 98 15.017 8.485 -9.095 1.00 0.00 H new ATOM 0 HA VAL A 98 15.222 5.585 -9.522 1.00 0.00 H new ATOM 0 HB VAL A 98 14.038 7.275 -7.285 1.00 0.00 H new ATOM 0 HG11 VAL A 98 13.470 5.159 -6.166 1.00 0.00 H new ATOM 0 HG12 VAL A 98 12.573 5.363 -7.690 1.00 0.00 H new ATOM 0 HG13 VAL A 98 13.969 4.261 -7.620 1.00 0.00 H new ATOM 0 HG21 VAL A 98 15.727 6.130 -5.907 1.00 0.00 H new ATOM 0 HG22 VAL A 98 16.318 5.272 -7.350 1.00 0.00 H new ATOM 0 HG23 VAL A 98 16.472 7.042 -7.241 1.00 0.00 H new ATOM 1409 N HIS A 99 13.134 5.625 -10.912 1.00 0.00 N ATOM 1410 CA HIS A 99 11.864 5.475 -11.613 1.00 0.00 C ATOM 1411 C HIS A 99 11.007 4.395 -10.959 1.00 0.00 C ATOM 1412 O HIS A 99 11.149 3.209 -11.259 1.00 0.00 O ATOM 1413 CB HIS A 99 12.106 5.130 -13.082 1.00 0.00 C ATOM 1414 CG HIS A 99 12.246 6.332 -13.965 1.00 0.00 C ATOM 1415 ND1 HIS A 99 13.289 6.498 -14.851 1.00 0.00 N ATOM 1416 CD2 HIS A 99 11.465 7.430 -14.095 1.00 0.00 C ATOM 1417 CE1 HIS A 99 13.145 7.647 -15.487 1.00 0.00 C ATOM 1418 NE2 HIS A 99 12.045 8.232 -15.047 1.00 0.00 N ATOM 0 H HIS A 99 13.914 5.128 -11.341 1.00 0.00 H new ATOM 0 HA HIS A 99 11.330 6.423 -11.554 1.00 0.00 H new ATOM 0 HB2 HIS A 99 13.009 4.525 -13.160 1.00 0.00 H new ATOM 0 HB3 HIS A 99 11.280 4.518 -13.444 1.00 0.00 H new ATOM 0 HD2 HIS A 99 10.555 7.637 -13.551 1.00 0.00 H new ATOM 0 HE1 HIS A 99 13.813 8.041 -16.239 1.00 0.00 H new ATOM 0 HE2 HIS A 99 11.685 9.133 -15.363 1.00 0.00 H new ATOM 1427 N LEU A 100 10.118 4.813 -10.065 1.00 0.00 N ATOM 1428 CA LEU A 100 9.238 3.882 -9.368 1.00 0.00 C ATOM 1429 C LEU A 100 7.986 3.596 -10.190 1.00 0.00 C ATOM 1430 O LEU A 100 7.271 4.515 -10.593 1.00 0.00 O ATOM 1431 CB LEU A 100 8.846 4.445 -8.000 1.00 0.00 C ATOM 1432 CG LEU A 100 8.586 3.416 -6.900 1.00 0.00 C ATOM 1433 CD1 LEU A 100 7.861 2.204 -7.463 1.00 0.00 C ATOM 1434 CD2 LEU A 100 9.892 3.000 -6.239 1.00 0.00 C ATOM 0 H LEU A 100 9.987 5.791 -9.806 1.00 0.00 H new ATOM 0 HA LEU A 100 9.779 2.947 -9.227 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.638 5.114 -7.664 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.948 5.051 -8.123 1.00 0.00 H new ATOM 0 HG LEU A 100 7.949 3.875 -6.143 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.685 1.482 -6.665 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.907 2.516 -7.888 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.471 1.744 -8.240 1.00 0.00 H new ATOM 0 HD21 LEU A 100 9.687 2.267 -5.458 1.00 0.00 H new ATOM 0 HD22 LEU A 100 10.554 2.560 -6.985 1.00 0.00 H new ATOM 0 HD23 LEU A 100 10.372 3.874 -5.799 1.00 0.00 H new ATOM 1446 N THR A 101 7.724 2.316 -10.435 1.00 0.00 N ATOM 1447 CA THR A 101 6.557 1.909 -11.209 1.00 0.00 C ATOM 1448 C THR A 101 5.448 1.391 -10.300 1.00 0.00 C ATOM 1449 O THR A 101 5.612 0.378 -9.618 1.00 0.00 O ATOM 1450 CB THR A 101 6.917 0.817 -12.234 1.00 0.00 C ATOM 1451 OG1 THR A 101 8.137 1.156 -12.903 1.00 0.00 O ATOM 1452 CG2 THR A 101 5.803 0.648 -13.256 1.00 0.00 C ATOM 0 H THR A 101 8.304 1.543 -10.109 1.00 0.00 H new ATOM 0 HA THR A 101 6.205 2.794 -11.740 1.00 0.00 H new ATOM 0 HB THR A 101 7.046 -0.124 -11.700 1.00 0.00 H new ATOM 0 HG1 THR A 101 8.899 0.920 -12.333 1.00 0.00 H new ATOM 0 HG21 THR A 101 6.079 -0.128 -13.970 1.00 0.00 H new ATOM 0 HG22 THR A 101 4.882 0.362 -12.747 1.00 0.00 H new ATOM 0 HG23 THR A 101 5.648 1.589 -13.785 1.00 0.00 H new ATOM 1460 N LEU A 102 4.319 2.091 -10.295 1.00 0.00 N ATOM 1461 CA LEU A 102 3.181 1.701 -9.469 1.00 0.00 C ATOM 1462 C LEU A 102 1.880 1.788 -10.260 1.00 0.00 C ATOM 1463 O LEU A 102 1.805 2.474 -11.280 1.00 0.00 O ATOM 1464 CB LEU A 102 3.098 2.591 -8.228 1.00 0.00 C ATOM 1465 CG LEU A 102 4.433 3.040 -7.633 1.00 0.00 C ATOM 1466 CD1 LEU A 102 4.992 4.222 -8.410 1.00 0.00 C ATOM 1467 CD2 LEU A 102 4.269 3.396 -6.163 1.00 0.00 C ATOM 0 H LEU A 102 4.167 2.931 -10.853 1.00 0.00 H new ATOM 0 HA LEU A 102 3.327 0.667 -9.157 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.519 3.479 -8.481 1.00 0.00 H new ATOM 0 HB3 LEU A 102 2.542 2.056 -7.458 1.00 0.00 H new ATOM 0 HG LEU A 102 5.140 2.214 -7.709 1.00 0.00 H new ATOM 0 HD11 LEU A 102 5.942 4.528 -7.973 1.00 0.00 H new ATOM 0 HD12 LEU A 102 5.147 3.933 -9.450 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.288 5.053 -8.365 1.00 0.00 H new ATOM 0 HD21 LEU A 102 5.229 3.713 -5.756 1.00 0.00 H new ATOM 0 HD22 LEU A 102 3.547 4.206 -6.063 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.913 2.524 -5.615 1.00 0.00 H new ATOM 1479 N VAL A 103 0.855 1.090 -9.781 1.00 0.00 N ATOM 1480 CA VAL A 103 -0.445 1.091 -10.441 1.00 0.00 C ATOM 1481 C VAL A 103 -1.571 1.320 -9.438 1.00 0.00 C ATOM 1482 O VAL A 103 -1.734 0.555 -8.488 1.00 0.00 O ATOM 1483 CB VAL A 103 -0.698 -0.233 -11.186 1.00 0.00 C ATOM 1484 CG1 VAL A 103 -0.400 -1.419 -10.282 1.00 0.00 C ATOM 1485 CG2 VAL A 103 -2.128 -0.290 -11.701 1.00 0.00 C ATOM 0 H VAL A 103 0.900 0.517 -8.938 1.00 0.00 H new ATOM 0 HA VAL A 103 -0.433 1.908 -11.162 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.026 -0.282 -12.043 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.584 -2.346 -10.825 1.00 0.00 H new ATOM 0 HG12 VAL A 103 0.643 -1.384 -9.968 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -1.045 -1.378 -9.404 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -2.289 -1.232 -12.225 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.820 -0.218 -10.862 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -2.301 0.540 -12.386 1.00 0.00 H new ATOM 1495 N ARG A 104 -2.344 2.379 -9.657 1.00 0.00 N ATOM 1496 CA ARG A 104 -3.454 2.709 -8.771 1.00 0.00 C ATOM 1497 C ARG A 104 -4.792 2.421 -9.446 1.00 0.00 C ATOM 1498 O ARG A 104 -4.890 2.408 -10.673 1.00 0.00 O ATOM 1499 CB ARG A 104 -3.385 4.181 -8.359 1.00 0.00 C ATOM 1500 CG ARG A 104 -2.135 4.534 -7.570 1.00 0.00 C ATOM 1501 CD ARG A 104 -2.004 6.037 -7.378 1.00 0.00 C ATOM 1502 NE ARG A 104 -1.829 6.738 -8.647 1.00 0.00 N ATOM 1503 CZ ARG A 104 -1.361 7.977 -8.744 1.00 0.00 C ATOM 1504 NH1 ARG A 104 -1.023 8.649 -7.651 1.00 0.00 N ATOM 1505 NH2 ARG A 104 -1.230 8.547 -9.935 1.00 0.00 N ATOM 0 H ARG A 104 -2.222 3.022 -10.439 1.00 0.00 H new ATOM 0 HA ARG A 104 -3.374 2.085 -7.881 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -3.427 4.802 -9.254 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -4.263 4.424 -7.760 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -2.167 4.043 -6.597 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -1.256 4.154 -8.090 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -2.893 6.417 -6.874 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -1.155 6.247 -6.728 1.00 0.00 H new ATOM 0 HE ARG A 104 -2.080 6.249 -9.506 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -1.122 8.214 -6.734 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -0.664 9.601 -7.728 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -1.489 8.033 -10.777 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -0.870 9.499 -10.008 1.00 0.00 H new ATOM 1519 N ARG A 105 -5.820 2.190 -8.636 1.00 0.00 N ATOM 1520 CA ARG A 105 -7.152 1.901 -9.155 1.00 0.00 C ATOM 1521 C ARG A 105 -7.850 3.180 -9.606 1.00 0.00 C ATOM 1522 O ARG A 105 -8.049 4.103 -8.816 1.00 0.00 O ATOM 1523 CB ARG A 105 -7.994 1.195 -8.091 1.00 0.00 C ATOM 1524 CG ARG A 105 -9.362 0.756 -8.589 1.00 0.00 C ATOM 1525 CD ARG A 105 -9.853 -0.479 -7.851 1.00 0.00 C ATOM 1526 NE ARG A 105 -11.275 -0.722 -8.077 1.00 0.00 N ATOM 1527 CZ ARG A 105 -11.927 -1.775 -7.595 1.00 0.00 C ATOM 1528 NH1 ARG A 105 -11.287 -2.677 -6.864 1.00 0.00 N ATOM 1529 NH2 ARG A 105 -13.221 -1.926 -7.843 1.00 0.00 N ATOM 0 H ARG A 105 -5.756 2.197 -7.618 1.00 0.00 H new ATOM 0 HA ARG A 105 -7.044 1.244 -10.018 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -7.451 0.322 -7.730 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -8.124 1.864 -7.240 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -10.077 1.568 -8.457 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -9.312 0.547 -9.658 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -9.281 -1.347 -8.177 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -9.671 -0.359 -6.783 1.00 0.00 H new ATOM 0 HE ARG A 105 -11.797 -0.046 -8.636 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -10.292 -2.564 -6.670 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -11.790 -3.484 -6.495 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -13.717 -1.234 -8.404 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -13.720 -2.735 -7.473 1.00 0.00 H new ATOM 1543 N LYS A 106 -8.219 3.229 -10.881 1.00 0.00 N ATOM 1544 CA LYS A 106 -8.895 4.394 -11.439 1.00 0.00 C ATOM 1545 C LYS A 106 -10.143 4.737 -10.631 1.00 0.00 C ATOM 1546 O LYS A 106 -10.452 4.079 -9.637 1.00 0.00 O ATOM 1547 CB LYS A 106 -9.274 4.139 -12.899 1.00 0.00 C ATOM 1548 CG LYS A 106 -8.092 3.771 -13.779 1.00 0.00 C ATOM 1549 CD LYS A 106 -8.519 2.909 -14.956 1.00 0.00 C ATOM 1550 CE LYS A 106 -7.638 3.150 -16.172 1.00 0.00 C ATOM 1551 NZ LYS A 106 -8.173 4.237 -17.038 1.00 0.00 N ATOM 0 H LYS A 106 -8.061 2.474 -11.549 1.00 0.00 H new ATOM 0 HA LYS A 106 -8.208 5.239 -11.391 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -10.010 3.336 -12.940 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -9.753 5.031 -13.302 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -7.614 4.679 -14.147 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -7.349 3.237 -13.187 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -8.472 1.857 -14.674 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.557 3.125 -15.209 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -6.631 3.409 -15.845 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -7.559 2.230 -16.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -7.544 4.371 -17.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -9.124 3.979 -17.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -8.225 5.121 -16.493 1.00 0.00 H new