USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 651 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 15 THR OG1 : rot 180:sc= 0.0119 USER MOD Set 1.2: A 35 GLN : amide:sc= -2.08 K(o=-4.8,f=-10!) USER MOD Set 1.3: A 37 ASN : amide:sc= -2.76 X(o=-4.8,f=-4.7!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 22 THR OG1 : rot 31:sc= 0.105 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 28 GLN : amide:sc= -1.7 K(o=-1.7,f=-2.8!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.385 X(o=-0.38,f=-0.049) USER MOD Single : A 49 THR OG1 : rot -77:sc= 1.52 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot -103:sc= 1.22 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 ASN :FLIP amide:sc= -0.0967 F(o=-1.6,f=-0.097) USER MOD Single : A 79 HIS : no HD1:sc= -0.234 K(o=-0.23,f=-0.9) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0.0301 K(o=0.03,f=-2) USER MOD Single : A 89 HIS : no HD1:sc=-0.00245 X(o=-0.0025,f=-0.23) USER MOD Single : A 93 SER OG : rot -160:sc= -0.961 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 101 N ALA A 11 -14.448 -3.811 1.087 1.00 0.00 N ATOM 102 CA ALA A 11 -13.098 -3.287 1.258 1.00 0.00 C ATOM 103 C ALA A 11 -12.377 -3.992 2.402 1.00 0.00 C ATOM 104 O ALA A 11 -11.153 -4.128 2.386 1.00 0.00 O ATOM 105 CB ALA A 11 -13.142 -1.786 1.503 1.00 0.00 C ATOM 0 HA ALA A 11 -12.541 -3.478 0.341 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -12.127 -1.408 1.629 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -13.610 -1.292 0.652 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -13.720 -1.581 2.404 1.00 0.00 H new ATOM 111 N ARG A 12 -13.142 -4.437 3.393 1.00 0.00 N ATOM 112 CA ARG A 12 -12.575 -5.126 4.546 1.00 0.00 C ATOM 113 C ARG A 12 -11.868 -6.409 4.119 1.00 0.00 C ATOM 114 O ARG A 12 -11.049 -6.954 4.859 1.00 0.00 O ATOM 115 CB ARG A 12 -13.670 -5.448 5.564 1.00 0.00 C ATOM 116 CG ARG A 12 -14.650 -6.509 5.088 1.00 0.00 C ATOM 117 CD ARG A 12 -14.184 -7.907 5.465 1.00 0.00 C ATOM 118 NE ARG A 12 -15.292 -8.856 5.524 1.00 0.00 N ATOM 119 CZ ARG A 12 -16.240 -8.822 6.454 1.00 0.00 C ATOM 120 NH1 ARG A 12 -16.214 -7.891 7.397 1.00 0.00 N ATOM 121 NH2 ARG A 12 -17.216 -9.721 6.441 1.00 0.00 N ATOM 0 H ARG A 12 -14.156 -4.333 3.421 1.00 0.00 H new ATOM 0 HA ARG A 12 -11.842 -4.465 5.009 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -13.205 -5.784 6.491 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -14.219 -4.535 5.795 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -15.631 -6.321 5.524 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -14.764 -6.442 4.006 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -13.449 -8.253 4.738 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -13.683 -7.874 6.433 1.00 0.00 H new ATOM 0 HE ARG A 12 -15.341 -9.585 4.812 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -15.465 -7.199 7.410 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -16.943 -7.867 8.110 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -17.239 -10.439 5.717 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -17.944 -9.694 7.155 1.00 0.00 H new ATOM 135 N ARG A 13 -12.192 -6.886 2.922 1.00 0.00 N ATOM 136 CA ARG A 13 -11.590 -8.106 2.397 1.00 0.00 C ATOM 137 C ARG A 13 -10.220 -7.818 1.789 1.00 0.00 C ATOM 138 O ARG A 13 -9.385 -8.715 1.660 1.00 0.00 O ATOM 139 CB ARG A 13 -12.503 -8.740 1.346 1.00 0.00 C ATOM 140 CG ARG A 13 -13.851 -9.178 1.896 1.00 0.00 C ATOM 141 CD ARG A 13 -14.935 -9.109 0.831 1.00 0.00 C ATOM 142 NE ARG A 13 -15.056 -10.362 0.091 1.00 0.00 N ATOM 143 CZ ARG A 13 -15.587 -11.468 0.600 1.00 0.00 C ATOM 144 NH1 ARG A 13 -16.044 -11.476 1.845 1.00 0.00 N ATOM 145 NH2 ARG A 13 -15.662 -12.569 -0.136 1.00 0.00 N ATOM 0 H ARG A 13 -12.868 -6.446 2.297 1.00 0.00 H new ATOM 0 HA ARG A 13 -11.462 -8.803 3.225 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -12.664 -8.026 0.538 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -11.999 -9.604 0.912 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -13.777 -10.197 2.276 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -14.126 -8.543 2.738 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -15.890 -8.872 1.300 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -14.711 -8.299 0.137 1.00 0.00 H new ATOM 0 HE ARG A 13 -14.714 -10.389 -0.870 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -15.988 -10.631 2.414 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -16.451 -12.327 2.233 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -15.312 -12.567 -1.094 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -16.070 -13.418 0.256 1.00 0.00 H new ATOM 159 N LEU A 14 -9.996 -6.563 1.416 1.00 0.00 N ATOM 160 CA LEU A 14 -8.728 -6.157 0.821 1.00 0.00 C ATOM 161 C LEU A 14 -7.589 -6.285 1.826 1.00 0.00 C ATOM 162 O LEU A 14 -7.714 -5.872 2.980 1.00 0.00 O ATOM 163 CB LEU A 14 -8.818 -4.716 0.316 1.00 0.00 C ATOM 164 CG LEU A 14 -10.034 -4.382 -0.550 1.00 0.00 C ATOM 165 CD1 LEU A 14 -10.085 -2.892 -0.847 1.00 0.00 C ATOM 166 CD2 LEU A 14 -10.003 -5.184 -1.843 1.00 0.00 C ATOM 0 H LEU A 14 -10.676 -5.809 1.515 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.521 -6.819 -0.020 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.817 -4.049 1.178 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.917 -4.496 -0.257 1.00 0.00 H new ATOM 0 HG LEU A 14 -10.934 -4.652 0.002 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -10.957 -2.674 -1.464 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -10.154 -2.337 0.088 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.181 -2.596 -1.379 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -10.875 -4.934 -2.447 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.096 -4.944 -2.398 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -10.015 -6.249 -1.611 1.00 0.00 H new ATOM 178 N THR A 15 -6.475 -6.858 1.381 1.00 0.00 N ATOM 179 CA THR A 15 -5.312 -7.040 2.241 1.00 0.00 C ATOM 180 C THR A 15 -4.019 -6.770 1.481 1.00 0.00 C ATOM 181 O THR A 15 -4.010 -6.712 0.251 1.00 0.00 O ATOM 182 CB THR A 15 -5.263 -8.465 2.825 1.00 0.00 C ATOM 183 OG1 THR A 15 -5.441 -9.429 1.782 1.00 0.00 O ATOM 184 CG2 THR A 15 -6.338 -8.652 3.885 1.00 0.00 C ATOM 0 H THR A 15 -6.354 -7.204 0.429 1.00 0.00 H new ATOM 0 HA THR A 15 -5.407 -6.324 3.057 1.00 0.00 H new ATOM 0 HB THR A 15 -4.288 -8.610 3.289 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.407 -10.332 2.162 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.284 -9.665 4.283 1.00 0.00 H new ATOM 0 HG22 THR A 15 -6.182 -7.936 4.692 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.320 -8.489 3.440 1.00 0.00 H new ATOM 192 N VAL A 16 -2.927 -6.605 2.221 1.00 0.00 N ATOM 193 CA VAL A 16 -1.626 -6.342 1.616 1.00 0.00 C ATOM 194 C VAL A 16 -0.516 -7.077 2.360 1.00 0.00 C ATOM 195 O VAL A 16 -0.373 -6.943 3.576 1.00 0.00 O ATOM 196 CB VAL A 16 -1.309 -4.835 1.600 1.00 0.00 C ATOM 197 CG1 VAL A 16 0.003 -4.573 0.876 1.00 0.00 C ATOM 198 CG2 VAL A 16 -2.447 -4.058 0.957 1.00 0.00 C ATOM 0 H VAL A 16 -2.917 -6.649 3.240 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.674 -6.706 0.590 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.203 -4.493 2.629 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.210 -3.503 0.875 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.811 -5.099 1.385 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.071 -4.929 -0.151 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.206 -2.995 0.954 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.588 -4.401 -0.068 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.364 -4.221 1.523 1.00 0.00 H new ATOM 208 N THR A 17 0.270 -7.854 1.621 1.00 0.00 N ATOM 209 CA THR A 17 1.368 -8.611 2.210 1.00 0.00 C ATOM 210 C THR A 17 2.703 -8.211 1.593 1.00 0.00 C ATOM 211 O THR A 17 3.616 -7.774 2.295 1.00 0.00 O ATOM 212 CB THR A 17 1.165 -10.127 2.030 1.00 0.00 C ATOM 213 OG1 THR A 17 -0.048 -10.538 2.671 1.00 0.00 O ATOM 214 CG2 THR A 17 2.339 -10.902 2.609 1.00 0.00 C ATOM 0 H THR A 17 0.167 -7.976 0.614 1.00 0.00 H new ATOM 0 HA THR A 17 1.378 -8.378 3.275 1.00 0.00 H new ATOM 0 HB THR A 17 1.101 -10.339 0.963 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.171 -11.503 2.551 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.174 -11.970 2.470 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.256 -10.608 2.099 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.430 -10.684 3.673 1.00 0.00 H new ATOM 222 N SER A 18 2.812 -8.364 0.277 1.00 0.00 N ATOM 223 CA SER A 18 4.038 -8.022 -0.433 1.00 0.00 C ATOM 224 C SER A 18 4.680 -6.772 0.160 1.00 0.00 C ATOM 225 O SER A 18 5.895 -6.716 0.356 1.00 0.00 O ATOM 226 CB SER A 18 3.747 -7.803 -1.919 1.00 0.00 C ATOM 227 OG SER A 18 3.800 -9.026 -2.635 1.00 0.00 O ATOM 0 H SER A 18 2.066 -8.723 -0.319 1.00 0.00 H new ATOM 0 HA SER A 18 4.735 -8.853 -0.324 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.762 -7.351 -2.037 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.471 -7.103 -2.335 1.00 0.00 H new ATOM 0 HG SER A 18 3.609 -8.859 -3.582 1.00 0.00 H new ATOM 233 N LEU A 19 3.855 -5.770 0.446 1.00 0.00 N ATOM 234 CA LEU A 19 4.340 -4.519 1.018 1.00 0.00 C ATOM 235 C LEU A 19 5.267 -4.784 2.200 1.00 0.00 C ATOM 236 O LEU A 19 4.994 -5.648 3.032 1.00 0.00 O ATOM 237 CB LEU A 19 3.164 -3.649 1.463 1.00 0.00 C ATOM 238 CG LEU A 19 3.525 -2.351 2.186 1.00 0.00 C ATOM 239 CD1 LEU A 19 4.041 -1.316 1.199 1.00 0.00 C ATOM 240 CD2 LEU A 19 2.322 -1.812 2.946 1.00 0.00 C ATOM 0 H LEU A 19 2.847 -5.800 0.291 1.00 0.00 H new ATOM 0 HA LEU A 19 4.904 -3.991 0.249 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.570 -3.399 0.584 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.527 -4.242 2.119 1.00 0.00 H new ATOM 0 HG LEU A 19 4.317 -2.565 2.903 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.293 -0.399 1.732 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.930 -1.701 0.699 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.271 -1.105 0.457 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.597 -0.888 3.455 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.509 -1.614 2.247 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.997 -2.548 3.681 1.00 0.00 H new ATOM 252 N GLN A 20 6.362 -4.034 2.266 1.00 0.00 N ATOM 253 CA GLN A 20 7.328 -4.187 3.347 1.00 0.00 C ATOM 254 C GLN A 20 7.214 -3.040 4.347 1.00 0.00 C ATOM 255 O GLN A 20 7.651 -1.923 4.075 1.00 0.00 O ATOM 256 CB GLN A 20 8.749 -4.249 2.785 1.00 0.00 C ATOM 257 CG GLN A 20 9.706 -5.068 3.636 1.00 0.00 C ATOM 258 CD GLN A 20 10.918 -5.543 2.859 1.00 0.00 C ATOM 259 OE1 GLN A 20 12.012 -4.997 2.999 1.00 0.00 O ATOM 260 NE2 GLN A 20 10.729 -6.567 2.035 1.00 0.00 N ATOM 0 H GLN A 20 6.602 -3.315 1.584 1.00 0.00 H new ATOM 0 HA GLN A 20 7.109 -5.120 3.866 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.715 -4.673 1.781 1.00 0.00 H new ATOM 0 HB3 GLN A 20 9.138 -3.235 2.690 1.00 0.00 H new ATOM 0 HG2 GLN A 20 10.035 -4.468 4.485 1.00 0.00 H new ATOM 0 HG3 GLN A 20 9.178 -5.931 4.041 1.00 0.00 H new ATOM 0 HE21 GLN A 20 9.804 -6.989 1.950 1.00 0.00 H new ATOM 0 HE22 GLN A 20 11.508 -6.931 1.487 1.00 0.00 H new ATOM 269 N GLU A 21 6.622 -3.326 5.502 1.00 0.00 N ATOM 270 CA GLU A 21 6.449 -2.317 6.541 1.00 0.00 C ATOM 271 C GLU A 21 7.759 -1.583 6.809 1.00 0.00 C ATOM 272 O GLU A 21 7.824 -0.355 6.731 1.00 0.00 O ATOM 273 CB GLU A 21 5.940 -2.964 7.831 1.00 0.00 C ATOM 274 CG GLU A 21 4.554 -3.571 7.702 1.00 0.00 C ATOM 275 CD GLU A 21 4.155 -4.381 8.921 1.00 0.00 C ATOM 276 OE1 GLU A 21 4.586 -5.548 9.025 1.00 0.00 O ATOM 277 OE2 GLU A 21 3.413 -3.845 9.771 1.00 0.00 O ATOM 0 H GLU A 21 6.254 -4.247 5.742 1.00 0.00 H new ATOM 0 HA GLU A 21 5.713 -1.594 6.191 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.640 -3.741 8.139 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.927 -2.215 8.623 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.826 -2.775 7.545 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.522 -4.210 6.820 1.00 0.00 H new ATOM 284 N THR A 22 8.803 -2.343 7.128 1.00 0.00 N ATOM 285 CA THR A 22 10.111 -1.766 7.410 1.00 0.00 C ATOM 286 C THR A 22 11.179 -2.349 6.492 1.00 0.00 C ATOM 287 O THR A 22 11.335 -3.566 6.400 1.00 0.00 O ATOM 288 CB THR A 22 10.525 -2.001 8.875 1.00 0.00 C ATOM 289 OG1 THR A 22 10.403 -3.390 9.201 1.00 0.00 O ATOM 290 CG2 THR A 22 9.665 -1.176 9.819 1.00 0.00 C ATOM 0 H THR A 22 8.767 -3.360 7.197 1.00 0.00 H new ATOM 0 HA THR A 22 10.028 -0.694 7.231 1.00 0.00 H new ATOM 0 HB THR A 22 11.563 -1.691 8.991 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.577 -3.930 8.402 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.976 -1.359 10.848 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.782 -0.118 9.587 1.00 0.00 H new ATOM 0 HG23 THR A 22 8.619 -1.460 9.700 1.00 0.00 H new ATOM 298 N GLY A 23 11.913 -1.473 5.813 1.00 0.00 N ATOM 299 CA GLY A 23 12.958 -1.921 4.911 1.00 0.00 C ATOM 300 C GLY A 23 13.070 -1.050 3.675 1.00 0.00 C ATOM 301 O GLY A 23 14.119 -1.005 3.031 1.00 0.00 O ATOM 0 H GLY A 23 11.803 -0.461 5.871 1.00 0.00 H new ATOM 0 HA2 GLY A 23 13.912 -1.923 5.438 1.00 0.00 H new ATOM 0 HA3 GLY A 23 12.758 -2.949 4.610 1.00 0.00 H new ATOM 305 N LEU A 24 11.986 -0.358 3.341 1.00 0.00 N ATOM 306 CA LEU A 24 11.966 0.514 2.173 1.00 0.00 C ATOM 307 C LEU A 24 12.874 1.722 2.379 1.00 0.00 C ATOM 308 O LEU A 24 12.824 2.380 3.418 1.00 0.00 O ATOM 309 CB LEU A 24 10.537 0.980 1.884 1.00 0.00 C ATOM 310 CG LEU A 24 9.465 -0.110 1.879 1.00 0.00 C ATOM 311 CD1 LEU A 24 8.113 0.473 1.498 1.00 0.00 C ATOM 312 CD2 LEU A 24 9.850 -1.234 0.927 1.00 0.00 C ATOM 0 H LEU A 24 11.110 -0.384 3.863 1.00 0.00 H new ATOM 0 HA LEU A 24 12.336 -0.055 1.320 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.263 1.728 2.628 1.00 0.00 H new ATOM 0 HB3 LEU A 24 10.527 1.476 0.914 1.00 0.00 H new ATOM 0 HG LEU A 24 9.390 -0.523 2.885 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.362 -0.317 1.500 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.832 1.242 2.218 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.174 0.913 0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.075 -2.001 0.937 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.954 -0.836 -0.082 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.797 -1.671 1.244 1.00 0.00 H new ATOM 324 N LYS A 25 13.703 2.010 1.381 1.00 0.00 N ATOM 325 CA LYS A 25 14.621 3.140 1.450 1.00 0.00 C ATOM 326 C LYS A 25 14.139 4.287 0.567 1.00 0.00 C ATOM 327 O LYS A 25 13.075 4.207 -0.046 1.00 0.00 O ATOM 328 CB LYS A 25 16.026 2.710 1.023 1.00 0.00 C ATOM 329 CG LYS A 25 16.570 1.535 1.818 1.00 0.00 C ATOM 330 CD LYS A 25 17.925 1.087 1.295 1.00 0.00 C ATOM 331 CE LYS A 25 17.783 0.186 0.078 1.00 0.00 C ATOM 332 NZ LYS A 25 19.082 -0.429 -0.311 1.00 0.00 N ATOM 0 H LYS A 25 13.758 1.475 0.514 1.00 0.00 H new ATOM 0 HA LYS A 25 14.652 3.487 2.483 1.00 0.00 H new ATOM 0 HB2 LYS A 25 16.011 2.446 -0.035 1.00 0.00 H new ATOM 0 HB3 LYS A 25 16.704 3.556 1.131 1.00 0.00 H new ATOM 0 HG2 LYS A 25 16.659 1.815 2.868 1.00 0.00 H new ATOM 0 HG3 LYS A 25 15.867 0.704 1.768 1.00 0.00 H new ATOM 0 HD2 LYS A 25 18.522 1.961 1.034 1.00 0.00 H new ATOM 0 HD3 LYS A 25 18.462 0.556 2.081 1.00 0.00 H new ATOM 0 HE2 LYS A 25 17.058 -0.600 0.291 1.00 0.00 H new ATOM 0 HE3 LYS A 25 17.390 0.764 -0.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 18.943 -1.036 -1.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 19.767 0.320 -0.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 19.445 -1.002 0.478 1.00 0.00 H new ATOM 346 N VAL A 26 14.931 5.353 0.505 1.00 0.00 N ATOM 347 CA VAL A 26 14.586 6.515 -0.305 1.00 0.00 C ATOM 348 C VAL A 26 15.020 6.323 -1.754 1.00 0.00 C ATOM 349 O VAL A 26 15.940 5.558 -2.041 1.00 0.00 O ATOM 350 CB VAL A 26 15.234 7.798 0.248 1.00 0.00 C ATOM 351 CG1 VAL A 26 16.688 7.894 -0.190 1.00 0.00 C ATOM 352 CG2 VAL A 26 14.453 9.025 -0.197 1.00 0.00 C ATOM 0 H VAL A 26 15.816 5.436 1.006 1.00 0.00 H new ATOM 0 HA VAL A 26 13.502 6.618 -0.264 1.00 0.00 H new ATOM 0 HB VAL A 26 15.209 7.755 1.337 1.00 0.00 H new ATOM 0 HG11 VAL A 26 17.129 8.807 0.210 1.00 0.00 H new ATOM 0 HG12 VAL A 26 17.238 7.031 0.184 1.00 0.00 H new ATOM 0 HG13 VAL A 26 16.740 7.913 -1.279 1.00 0.00 H new ATOM 0 HG21 VAL A 26 14.926 9.922 0.203 1.00 0.00 H new ATOM 0 HG22 VAL A 26 14.443 9.075 -1.286 1.00 0.00 H new ATOM 0 HG23 VAL A 26 13.430 8.959 0.172 1.00 0.00 H new ATOM 362 N ASN A 27 14.352 7.024 -2.664 1.00 0.00 N ATOM 363 CA ASN A 27 14.669 6.931 -4.085 1.00 0.00 C ATOM 364 C ASN A 27 14.655 5.479 -4.551 1.00 0.00 C ATOM 365 O ASN A 27 15.315 5.124 -5.528 1.00 0.00 O ATOM 366 CB ASN A 27 16.038 7.555 -4.365 1.00 0.00 C ATOM 367 CG ASN A 27 16.068 9.042 -4.066 1.00 0.00 C ATOM 368 OD1 ASN A 27 15.038 9.715 -4.107 1.00 0.00 O ATOM 369 ND2 ASN A 27 17.252 9.560 -3.763 1.00 0.00 N ATOM 0 H ASN A 27 13.588 7.663 -2.443 1.00 0.00 H new ATOM 0 HA ASN A 27 13.907 7.479 -4.639 1.00 0.00 H new ATOM 0 HB2 ASN A 27 16.794 7.051 -3.763 1.00 0.00 H new ATOM 0 HB3 ASN A 27 16.302 7.392 -5.410 1.00 0.00 H new ATOM 0 HD21 ASN A 27 17.335 10.555 -3.552 1.00 0.00 H new ATOM 0 HD22 ASN A 27 18.079 8.964 -3.741 1.00 0.00 H new ATOM 376 N GLN A 28 13.898 4.644 -3.847 1.00 0.00 N ATOM 377 CA GLN A 28 13.798 3.230 -4.189 1.00 0.00 C ATOM 378 C GLN A 28 12.389 2.881 -4.655 1.00 0.00 C ATOM 379 O GLN A 28 11.392 3.297 -4.064 1.00 0.00 O ATOM 380 CB GLN A 28 14.180 2.365 -2.987 1.00 0.00 C ATOM 381 CG GLN A 28 15.669 2.075 -2.893 1.00 0.00 C ATOM 382 CD GLN A 28 16.185 1.284 -4.079 1.00 0.00 C ATOM 383 OE1 GLN A 28 15.626 0.247 -4.439 1.00 0.00 O ATOM 384 NE2 GLN A 28 17.257 1.769 -4.694 1.00 0.00 N ATOM 0 H GLN A 28 13.345 4.922 -3.036 1.00 0.00 H new ATOM 0 HA GLN A 28 14.491 3.030 -5.006 1.00 0.00 H new ATOM 0 HB2 GLN A 28 13.858 2.865 -2.074 1.00 0.00 H new ATOM 0 HB3 GLN A 28 13.638 1.421 -3.042 1.00 0.00 H new ATOM 0 HG2 GLN A 28 16.215 3.016 -2.823 1.00 0.00 H new ATOM 0 HG3 GLN A 28 15.870 1.521 -1.976 1.00 0.00 H new ATOM 0 HE21 GLN A 28 17.689 2.632 -4.362 1.00 0.00 H new ATOM 0 HE22 GLN A 28 17.649 1.279 -5.498 1.00 0.00 H new ATOM 393 N PRO A 29 12.301 2.099 -5.741 1.00 0.00 N ATOM 394 CA PRO A 29 11.018 1.677 -6.310 1.00 0.00 C ATOM 395 C PRO A 29 10.285 0.683 -5.415 1.00 0.00 C ATOM 396 O PRO A 29 10.672 -0.481 -5.317 1.00 0.00 O ATOM 397 CB PRO A 29 11.417 1.013 -7.631 1.00 0.00 C ATOM 398 CG PRO A 29 12.819 0.556 -7.416 1.00 0.00 C ATOM 399 CD PRO A 29 13.447 1.566 -6.496 1.00 0.00 C ATOM 0 HA PRO A 29 10.330 2.514 -6.428 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.760 0.176 -7.868 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.352 1.715 -8.462 1.00 0.00 H new ATOM 0 HG2 PRO A 29 12.841 -0.441 -6.975 1.00 0.00 H new ATOM 0 HG3 PRO A 29 13.360 0.499 -8.361 1.00 0.00 H new ATOM 0 HD2 PRO A 29 14.183 1.106 -5.837 1.00 0.00 H new ATOM 0 HD3 PRO A 29 13.962 2.350 -7.051 1.00 0.00 H new ATOM 407 N ALA A 30 9.225 1.151 -4.764 1.00 0.00 N ATOM 408 CA ALA A 30 8.437 0.303 -3.879 1.00 0.00 C ATOM 409 C ALA A 30 7.105 -0.072 -4.520 1.00 0.00 C ATOM 410 O ALA A 30 6.273 0.792 -4.797 1.00 0.00 O ATOM 411 CB ALA A 30 8.205 1.001 -2.547 1.00 0.00 C ATOM 0 H ALA A 30 8.893 2.113 -4.833 1.00 0.00 H new ATOM 0 HA ALA A 30 8.997 -0.615 -3.703 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.615 0.356 -1.896 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.165 1.213 -2.075 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.669 1.935 -2.714 1.00 0.00 H new ATOM 417 N SER A 31 6.909 -1.366 -4.753 1.00 0.00 N ATOM 418 CA SER A 31 5.680 -1.855 -5.366 1.00 0.00 C ATOM 419 C SER A 31 5.192 -3.122 -4.670 1.00 0.00 C ATOM 420 O SER A 31 5.990 -3.949 -4.230 1.00 0.00 O ATOM 421 CB SER A 31 5.902 -2.131 -6.855 1.00 0.00 C ATOM 422 OG SER A 31 6.942 -3.073 -7.049 1.00 0.00 O ATOM 0 H SER A 31 7.586 -2.095 -4.526 1.00 0.00 H new ATOM 0 HA SER A 31 4.917 -1.084 -5.256 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.980 -2.505 -7.300 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.149 -1.201 -7.368 1.00 0.00 H new ATOM 0 HG SER A 31 7.063 -3.234 -8.008 1.00 0.00 H new ATOM 428 N PHE A 32 3.874 -3.266 -4.574 1.00 0.00 N ATOM 429 CA PHE A 32 3.278 -4.431 -3.930 1.00 0.00 C ATOM 430 C PHE A 32 1.939 -4.781 -4.573 1.00 0.00 C ATOM 431 O PHE A 32 1.439 -4.051 -5.428 1.00 0.00 O ATOM 432 CB PHE A 32 3.086 -4.171 -2.434 1.00 0.00 C ATOM 433 CG PHE A 32 2.732 -2.746 -2.114 1.00 0.00 C ATOM 434 CD1 PHE A 32 3.689 -1.747 -2.192 1.00 0.00 C ATOM 435 CD2 PHE A 32 1.444 -2.407 -1.735 1.00 0.00 C ATOM 436 CE1 PHE A 32 3.367 -0.436 -1.897 1.00 0.00 C ATOM 437 CE2 PHE A 32 1.115 -1.097 -1.439 1.00 0.00 C ATOM 438 CZ PHE A 32 2.078 -0.110 -1.521 1.00 0.00 C ATOM 0 H PHE A 32 3.199 -2.591 -4.934 1.00 0.00 H new ATOM 0 HA PHE A 32 3.956 -5.274 -4.061 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.300 -4.826 -2.057 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.002 -4.437 -1.907 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.698 -1.996 -2.487 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.687 -3.175 -1.670 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.122 0.333 -1.960 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.107 -0.846 -1.144 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.824 0.914 -1.292 1.00 0.00 H new ATOM 448 N ALA A 33 1.364 -5.904 -4.154 1.00 0.00 N ATOM 449 CA ALA A 33 0.084 -6.352 -4.687 1.00 0.00 C ATOM 450 C ALA A 33 -1.015 -6.246 -3.635 1.00 0.00 C ATOM 451 O ALA A 33 -0.799 -6.555 -2.463 1.00 0.00 O ATOM 452 CB ALA A 33 0.194 -7.781 -5.196 1.00 0.00 C ATOM 0 H ALA A 33 1.765 -6.520 -3.447 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.182 -5.702 -5.520 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.770 -8.102 -5.591 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.944 -7.829 -5.985 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.487 -8.438 -4.377 1.00 0.00 H new ATOM 458 N VAL A 34 -2.196 -5.808 -4.061 1.00 0.00 N ATOM 459 CA VAL A 34 -3.329 -5.662 -3.156 1.00 0.00 C ATOM 460 C VAL A 34 -4.389 -6.724 -3.427 1.00 0.00 C ATOM 461 O VAL A 34 -5.144 -6.629 -4.394 1.00 0.00 O ATOM 462 CB VAL A 34 -3.972 -4.268 -3.281 1.00 0.00 C ATOM 463 CG1 VAL A 34 -5.026 -4.067 -2.203 1.00 0.00 C ATOM 464 CG2 VAL A 34 -2.909 -3.183 -3.207 1.00 0.00 C ATOM 0 H VAL A 34 -2.392 -5.548 -5.028 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.943 -5.787 -2.144 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.462 -4.199 -4.252 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.469 -3.077 -2.307 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.803 -4.825 -2.308 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.563 -4.155 -1.220 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.381 -2.205 -3.297 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.388 -3.248 -2.252 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.195 -3.317 -4.019 1.00 0.00 H new ATOM 474 N GLN A 35 -4.439 -7.735 -2.565 1.00 0.00 N ATOM 475 CA GLN A 35 -5.407 -8.816 -2.712 1.00 0.00 C ATOM 476 C GLN A 35 -6.811 -8.342 -2.355 1.00 0.00 C ATOM 477 O GLN A 35 -6.995 -7.561 -1.420 1.00 0.00 O ATOM 478 CB GLN A 35 -5.016 -10.002 -1.829 1.00 0.00 C ATOM 479 CG GLN A 35 -5.847 -11.249 -2.082 1.00 0.00 C ATOM 480 CD GLN A 35 -5.339 -12.455 -1.316 1.00 0.00 C ATOM 481 OE1 GLN A 35 -6.104 -13.141 -0.637 1.00 0.00 O ATOM 482 NE2 GLN A 35 -4.043 -12.720 -1.421 1.00 0.00 N ATOM 0 H GLN A 35 -3.821 -7.828 -1.759 1.00 0.00 H new ATOM 0 HA GLN A 35 -5.405 -9.132 -3.755 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -3.964 -10.236 -1.995 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -5.117 -9.714 -0.783 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -6.882 -11.054 -1.801 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -5.843 -11.473 -3.149 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -3.446 -12.125 -1.995 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.644 -13.519 -0.928 1.00 0.00 H new ATOM 491 N LEU A 36 -7.799 -8.817 -3.104 1.00 0.00 N ATOM 492 CA LEU A 36 -9.189 -8.442 -2.866 1.00 0.00 C ATOM 493 C LEU A 36 -9.905 -9.501 -2.034 1.00 0.00 C ATOM 494 O LEU A 36 -10.783 -9.185 -1.233 1.00 0.00 O ATOM 495 CB LEU A 36 -9.918 -8.242 -4.196 1.00 0.00 C ATOM 496 CG LEU A 36 -9.112 -7.573 -5.310 1.00 0.00 C ATOM 497 CD1 LEU A 36 -9.825 -7.718 -6.646 1.00 0.00 C ATOM 498 CD2 LEU A 36 -8.875 -6.105 -4.988 1.00 0.00 C ATOM 0 H LEU A 36 -7.664 -9.463 -3.882 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.197 -7.505 -2.310 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.254 -9.215 -4.553 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.811 -7.644 -4.012 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.145 -8.070 -5.381 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.237 -7.236 -7.427 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.944 -8.775 -6.882 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.806 -7.247 -6.588 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.300 -5.645 -5.791 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.833 -5.595 -4.889 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.322 -6.022 -4.052 1.00 0.00 H new ATOM 510 N ASN A 37 -9.522 -10.758 -2.230 1.00 0.00 N ATOM 511 CA ASN A 37 -10.126 -11.864 -1.496 1.00 0.00 C ATOM 512 C ASN A 37 -11.619 -11.963 -1.794 1.00 0.00 C ATOM 513 O ASN A 37 -12.422 -12.246 -0.906 1.00 0.00 O ATOM 514 CB ASN A 37 -9.905 -11.687 0.008 1.00 0.00 C ATOM 515 CG ASN A 37 -8.480 -11.999 0.423 1.00 0.00 C ATOM 516 OD1 ASN A 37 -8.144 -13.147 0.713 1.00 0.00 O ATOM 517 ND2 ASN A 37 -7.636 -10.974 0.455 1.00 0.00 N ATOM 0 H ASN A 37 -8.796 -11.036 -2.891 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.647 -12.788 -1.820 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -10.147 -10.662 0.290 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.590 -12.337 0.552 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.664 -11.122 0.728 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.959 -10.039 0.206 1.00 0.00 H new ATOM 524 N GLY A 38 -11.983 -11.729 -3.051 1.00 0.00 N ATOM 525 CA GLY A 38 -13.378 -11.797 -3.444 1.00 0.00 C ATOM 526 C GLY A 38 -13.922 -10.453 -3.886 1.00 0.00 C ATOM 527 O GLY A 38 -14.790 -10.383 -4.756 1.00 0.00 O ATOM 0 H GLY A 38 -11.337 -11.494 -3.804 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -13.489 -12.515 -4.256 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -13.970 -12.168 -2.608 1.00 0.00 H new ATOM 531 N ALA A 39 -13.413 -9.383 -3.284 1.00 0.00 N ATOM 532 CA ALA A 39 -13.853 -8.035 -3.621 1.00 0.00 C ATOM 533 C ALA A 39 -13.625 -7.736 -5.099 1.00 0.00 C ATOM 534 O ALA A 39 -12.773 -8.350 -5.741 1.00 0.00 O ATOM 535 CB ALA A 39 -13.130 -7.013 -2.756 1.00 0.00 C ATOM 0 H ALA A 39 -12.695 -9.424 -2.560 1.00 0.00 H new ATOM 0 HA ALA A 39 -14.923 -7.969 -3.425 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -13.468 -6.010 -3.018 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -13.348 -7.206 -1.706 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -12.056 -7.089 -2.924 1.00 0.00 H new ATOM 541 N ARG A 40 -14.393 -6.792 -5.632 1.00 0.00 N ATOM 542 CA ARG A 40 -14.276 -6.413 -7.035 1.00 0.00 C ATOM 543 C ARG A 40 -14.589 -4.932 -7.227 1.00 0.00 C ATOM 544 O ARG A 40 -15.732 -4.504 -7.072 1.00 0.00 O ATOM 545 CB ARG A 40 -15.217 -7.260 -7.894 1.00 0.00 C ATOM 546 CG ARG A 40 -14.626 -8.598 -8.306 1.00 0.00 C ATOM 547 CD ARG A 40 -13.754 -8.464 -9.545 1.00 0.00 C ATOM 548 NE ARG A 40 -14.527 -8.600 -10.776 1.00 0.00 N ATOM 549 CZ ARG A 40 -14.868 -9.770 -11.304 1.00 0.00 C ATOM 550 NH1 ARG A 40 -14.507 -10.900 -10.711 1.00 0.00 N ATOM 551 NH2 ARG A 40 -15.573 -9.812 -12.428 1.00 0.00 N ATOM 0 H ARG A 40 -15.103 -6.275 -5.113 1.00 0.00 H new ATOM 0 HA ARG A 40 -13.248 -6.592 -7.349 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -16.141 -7.435 -7.342 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -15.482 -6.698 -8.790 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -14.034 -9.004 -7.485 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -15.430 -9.308 -8.501 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -13.256 -7.494 -9.535 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -12.973 -9.223 -9.522 1.00 0.00 H new ATOM 0 HE ARG A 40 -14.821 -7.750 -11.257 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -13.966 -10.872 -9.847 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -14.771 -11.797 -11.119 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -15.853 -8.945 -12.887 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -15.834 -10.711 -12.833 1.00 0.00 H new ATOM 565 N GLY A 41 -13.565 -4.155 -7.564 1.00 0.00 N ATOM 566 CA GLY A 41 -13.751 -2.730 -7.771 1.00 0.00 C ATOM 567 C GLY A 41 -12.488 -2.044 -8.251 1.00 0.00 C ATOM 568 O GLY A 41 -11.685 -2.638 -8.970 1.00 0.00 O ATOM 0 H GLY A 41 -12.610 -4.486 -7.698 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -14.546 -2.573 -8.500 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -14.078 -2.270 -6.839 1.00 0.00 H new ATOM 572 N VAL A 42 -12.311 -0.788 -7.853 1.00 0.00 N ATOM 573 CA VAL A 42 -11.137 -0.019 -8.248 1.00 0.00 C ATOM 574 C VAL A 42 -10.290 0.353 -7.036 1.00 0.00 C ATOM 575 O VAL A 42 -10.816 0.765 -6.002 1.00 0.00 O ATOM 576 CB VAL A 42 -11.533 1.267 -8.997 1.00 0.00 C ATOM 577 CG1 VAL A 42 -10.299 2.085 -9.344 1.00 0.00 C ATOM 578 CG2 VAL A 42 -12.329 0.930 -10.249 1.00 0.00 C ATOM 0 H VAL A 42 -12.966 -0.282 -7.257 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.554 -0.654 -8.915 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.165 1.868 -8.343 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -10.599 2.990 -9.873 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -9.774 2.357 -8.429 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.639 1.495 -9.980 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -12.601 1.850 -10.766 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -11.724 0.308 -10.909 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -13.234 0.390 -9.970 1.00 0.00 H new ATOM 588 N ILE A 43 -8.977 0.204 -7.171 1.00 0.00 N ATOM 589 CA ILE A 43 -8.057 0.526 -6.087 1.00 0.00 C ATOM 590 C ILE A 43 -7.279 1.803 -6.387 1.00 0.00 C ATOM 591 O ILE A 43 -6.516 1.865 -7.351 1.00 0.00 O ATOM 592 CB ILE A 43 -7.061 -0.621 -5.834 1.00 0.00 C ATOM 593 CG1 ILE A 43 -7.803 -1.881 -5.383 1.00 0.00 C ATOM 594 CG2 ILE A 43 -6.029 -0.207 -4.796 1.00 0.00 C ATOM 595 CD1 ILE A 43 -8.103 -1.907 -3.901 1.00 0.00 C ATOM 0 H ILE A 43 -8.526 -0.137 -8.020 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.663 0.674 -5.193 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.541 -0.843 -6.766 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -8.739 -1.960 -5.936 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.206 -2.756 -5.640 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -5.332 -1.028 -4.628 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.482 0.665 -5.154 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -6.532 0.039 -3.861 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.630 -2.828 -3.653 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.170 -1.860 -3.340 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.726 -1.051 -3.641 1.00 0.00 H new ATOM 607 N ASP A 44 -7.477 2.819 -5.553 1.00 0.00 N ATOM 608 CA ASP A 44 -6.792 4.094 -5.727 1.00 0.00 C ATOM 609 C ASP A 44 -5.662 4.247 -4.713 1.00 0.00 C ATOM 610 O ASP A 44 -5.884 4.164 -3.505 1.00 0.00 O ATOM 611 CB ASP A 44 -7.781 5.252 -5.586 1.00 0.00 C ATOM 612 CG ASP A 44 -8.470 5.588 -6.894 1.00 0.00 C ATOM 613 OD1 ASP A 44 -7.779 5.634 -7.933 1.00 0.00 O ATOM 614 OD2 ASP A 44 -9.700 5.806 -6.878 1.00 0.00 O ATOM 0 H ASP A 44 -8.106 2.784 -4.751 1.00 0.00 H new ATOM 0 HA ASP A 44 -6.362 4.114 -6.728 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -8.532 4.996 -4.839 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.254 6.133 -5.219 1.00 0.00 H new ATOM 619 N ALA A 45 -4.451 4.470 -5.213 1.00 0.00 N ATOM 620 CA ALA A 45 -3.288 4.635 -4.350 1.00 0.00 C ATOM 621 C ALA A 45 -2.752 6.061 -4.418 1.00 0.00 C ATOM 622 O ALA A 45 -2.600 6.627 -5.501 1.00 0.00 O ATOM 623 CB ALA A 45 -2.201 3.643 -4.735 1.00 0.00 C ATOM 0 H ALA A 45 -4.250 4.540 -6.211 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.597 4.439 -3.323 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.338 3.777 -4.083 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.581 2.627 -4.629 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.903 3.813 -5.770 1.00 0.00 H new ATOM 629 N ARG A 46 -2.470 6.638 -3.255 1.00 0.00 N ATOM 630 CA ARG A 46 -1.953 8.000 -3.182 1.00 0.00 C ATOM 631 C ARG A 46 -1.104 8.193 -1.929 1.00 0.00 C ATOM 632 O ARG A 46 -1.577 7.997 -0.810 1.00 0.00 O ATOM 633 CB ARG A 46 -3.105 9.006 -3.191 1.00 0.00 C ATOM 634 CG ARG A 46 -3.653 9.293 -4.580 1.00 0.00 C ATOM 635 CD ARG A 46 -4.282 10.675 -4.656 1.00 0.00 C ATOM 636 NE ARG A 46 -5.677 10.667 -4.222 1.00 0.00 N ATOM 637 CZ ARG A 46 -6.430 11.758 -4.149 1.00 0.00 C ATOM 638 NH1 ARG A 46 -5.926 12.939 -4.479 1.00 0.00 N ATOM 639 NH2 ARG A 46 -7.691 11.670 -3.745 1.00 0.00 N ATOM 0 H ARG A 46 -2.591 6.184 -2.350 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.324 8.171 -4.056 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.911 8.628 -2.563 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.764 9.940 -2.744 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.849 9.217 -5.312 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.395 8.539 -4.842 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.713 11.367 -4.035 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.223 11.044 -5.680 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.095 9.774 -3.961 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.957 13.011 -4.790 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.507 13.775 -4.422 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.083 10.763 -3.490 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.268 12.509 -3.689 1.00 0.00 H new ATOM 653 N VAL A 47 0.153 8.579 -2.126 1.00 0.00 N ATOM 654 CA VAL A 47 1.068 8.799 -1.012 1.00 0.00 C ATOM 655 C VAL A 47 1.089 10.267 -0.602 1.00 0.00 C ATOM 656 O VAL A 47 0.914 11.159 -1.433 1.00 0.00 O ATOM 657 CB VAL A 47 2.500 8.356 -1.366 1.00 0.00 C ATOM 658 CG1 VAL A 47 2.620 6.840 -1.305 1.00 0.00 C ATOM 659 CG2 VAL A 47 2.893 8.874 -2.741 1.00 0.00 C ATOM 0 H VAL A 47 0.561 8.746 -3.046 1.00 0.00 H new ATOM 0 HA VAL A 47 0.705 8.196 -0.179 1.00 0.00 H new ATOM 0 HB VAL A 47 3.185 8.781 -0.633 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.638 6.545 -1.558 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.382 6.496 -0.298 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.925 6.391 -2.015 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.908 8.552 -2.975 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.205 8.479 -3.489 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.848 9.963 -2.746 1.00 0.00 H new ATOM 669 N HIS A 48 1.306 10.513 0.687 1.00 0.00 N ATOM 670 CA HIS A 48 1.352 11.874 1.209 1.00 0.00 C ATOM 671 C HIS A 48 2.740 12.201 1.751 1.00 0.00 C ATOM 672 O HIS A 48 3.222 11.559 2.684 1.00 0.00 O ATOM 673 CB HIS A 48 0.306 12.056 2.309 1.00 0.00 C ATOM 674 CG HIS A 48 -1.095 12.165 1.792 1.00 0.00 C ATOM 675 ND1 HIS A 48 -1.734 13.372 1.598 1.00 0.00 N ATOM 676 CD2 HIS A 48 -1.981 11.209 1.426 1.00 0.00 C ATOM 677 CE1 HIS A 48 -2.952 13.153 1.137 1.00 0.00 C ATOM 678 NE2 HIS A 48 -3.127 11.849 1.023 1.00 0.00 N ATOM 0 H HIS A 48 1.453 9.787 1.389 1.00 0.00 H new ATOM 0 HA HIS A 48 1.130 12.559 0.390 1.00 0.00 H new ATOM 0 HB2 HIS A 48 0.365 11.214 2.998 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.544 12.953 2.881 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -1.817 10.142 1.447 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.681 13.912 0.894 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -3.976 11.392 0.690 1.00 0.00 H new ATOM 687 N THR A 49 3.379 13.205 1.158 1.00 0.00 N ATOM 688 CA THR A 49 4.712 13.617 1.580 1.00 0.00 C ATOM 689 C THR A 49 4.664 14.355 2.913 1.00 0.00 C ATOM 690 O THR A 49 3.686 15.026 3.243 1.00 0.00 O ATOM 691 CB THR A 49 5.379 14.523 0.528 1.00 0.00 C ATOM 692 OG1 THR A 49 4.553 15.664 0.269 1.00 0.00 O ATOM 693 CG2 THR A 49 5.621 13.762 -0.767 1.00 0.00 C ATOM 0 H THR A 49 2.995 13.747 0.384 1.00 0.00 H new ATOM 0 HA THR A 49 5.303 12.708 1.693 1.00 0.00 H new ATOM 0 HB THR A 49 6.340 14.853 0.922 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.806 15.403 -0.309 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.093 14.423 -1.494 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.274 12.911 -0.572 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.670 13.406 -1.163 1.00 0.00 H new ATOM 701 N PRO A 50 5.745 14.231 3.698 1.00 0.00 N ATOM 702 CA PRO A 50 5.850 14.881 5.008 1.00 0.00 C ATOM 703 C PRO A 50 5.985 16.395 4.894 1.00 0.00 C ATOM 704 O PRO A 50 5.970 17.107 5.899 1.00 0.00 O ATOM 705 CB PRO A 50 7.122 14.273 5.604 1.00 0.00 C ATOM 706 CG PRO A 50 7.933 13.860 4.424 1.00 0.00 C ATOM 707 CD PRO A 50 6.947 13.447 3.367 1.00 0.00 C ATOM 0 HA PRO A 50 4.960 14.721 5.616 1.00 0.00 H new ATOM 0 HB2 PRO A 50 7.657 14.997 6.218 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.892 13.421 6.244 1.00 0.00 H new ATOM 0 HG2 PRO A 50 8.559 14.681 4.074 1.00 0.00 H new ATOM 0 HG3 PRO A 50 8.600 13.036 4.678 1.00 0.00 H new ATOM 0 HD2 PRO A 50 7.312 13.675 2.366 1.00 0.00 H new ATOM 0 HD3 PRO A 50 6.749 12.376 3.398 1.00 0.00 H new ATOM 715 N SER A 51 6.118 16.883 3.664 1.00 0.00 N ATOM 716 CA SER A 51 6.260 18.313 3.420 1.00 0.00 C ATOM 717 C SER A 51 4.894 18.987 3.335 1.00 0.00 C ATOM 718 O SER A 51 4.610 19.934 4.067 1.00 0.00 O ATOM 719 CB SER A 51 7.043 18.556 2.129 1.00 0.00 C ATOM 720 OG SER A 51 7.389 19.924 1.992 1.00 0.00 O ATOM 0 H SER A 51 6.130 16.308 2.821 1.00 0.00 H new ATOM 0 HA SER A 51 6.809 18.747 4.256 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.947 17.947 2.128 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.446 18.241 1.273 1.00 0.00 H new ATOM 0 HG SER A 51 7.890 20.053 1.160 1.00 0.00 H new ATOM 726 N GLY A 52 4.052 18.492 2.433 1.00 0.00 N ATOM 727 CA GLY A 52 2.726 19.058 2.267 1.00 0.00 C ATOM 728 C GLY A 52 2.250 19.007 0.829 1.00 0.00 C ATOM 729 O GLY A 52 1.543 19.904 0.370 1.00 0.00 O ATOM 0 H GLY A 52 4.264 17.709 1.814 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.022 18.517 2.899 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.731 20.093 2.608 1.00 0.00 H new ATOM 733 N ALA A 53 2.640 17.957 0.114 1.00 0.00 N ATOM 734 CA ALA A 53 2.248 17.793 -1.280 1.00 0.00 C ATOM 735 C ALA A 53 1.629 16.420 -1.519 1.00 0.00 C ATOM 736 O ALA A 53 2.201 15.396 -1.144 1.00 0.00 O ATOM 737 CB ALA A 53 3.448 17.999 -2.193 1.00 0.00 C ATOM 0 H ALA A 53 3.228 17.207 0.478 1.00 0.00 H new ATOM 0 HA ALA A 53 1.495 18.547 -1.511 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.141 17.874 -3.231 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.845 19.004 -2.051 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.219 17.267 -1.952 1.00 0.00 H new ATOM 743 N VAL A 54 0.456 16.406 -2.145 1.00 0.00 N ATOM 744 CA VAL A 54 -0.241 15.158 -2.434 1.00 0.00 C ATOM 745 C VAL A 54 0.328 14.487 -3.679 1.00 0.00 C ATOM 746 O VAL A 54 0.074 14.922 -4.801 1.00 0.00 O ATOM 747 CB VAL A 54 -1.750 15.392 -2.634 1.00 0.00 C ATOM 748 CG1 VAL A 54 -2.422 14.130 -3.155 1.00 0.00 C ATOM 749 CG2 VAL A 54 -2.395 15.853 -1.336 1.00 0.00 C ATOM 0 H VAL A 54 -0.031 17.244 -2.461 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.093 14.505 -1.574 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.882 16.178 -3.377 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.488 14.315 -3.290 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.978 13.849 -4.110 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.282 13.321 -2.438 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.461 16.013 -1.496 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.254 15.091 -0.569 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.933 16.785 -1.011 1.00 0.00 H new ATOM 759 N GLU A 55 1.099 13.424 -3.471 1.00 0.00 N ATOM 760 CA GLU A 55 1.705 12.692 -4.577 1.00 0.00 C ATOM 761 C GLU A 55 0.747 11.635 -5.119 1.00 0.00 C ATOM 762 O GLU A 55 -0.262 11.317 -4.490 1.00 0.00 O ATOM 763 CB GLU A 55 3.009 12.031 -4.127 1.00 0.00 C ATOM 764 CG GLU A 55 4.234 12.910 -4.319 1.00 0.00 C ATOM 765 CD GLU A 55 3.923 14.386 -4.168 1.00 0.00 C ATOM 766 OE1 GLU A 55 3.154 14.740 -3.250 1.00 0.00 O ATOM 767 OE2 GLU A 55 4.448 15.187 -4.969 1.00 0.00 O ATOM 0 H GLU A 55 1.318 13.051 -2.547 1.00 0.00 H new ATOM 0 HA GLU A 55 1.923 13.403 -5.374 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.926 11.763 -3.074 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.147 11.103 -4.682 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.997 12.627 -3.593 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.654 12.730 -5.309 1.00 0.00 H new ATOM 774 N GLU A 56 1.071 11.096 -6.291 1.00 0.00 N ATOM 775 CA GLU A 56 0.238 10.077 -6.918 1.00 0.00 C ATOM 776 C GLU A 56 1.015 8.775 -7.096 1.00 0.00 C ATOM 777 O GLU A 56 2.246 8.768 -7.086 1.00 0.00 O ATOM 778 CB GLU A 56 -0.274 10.568 -8.274 1.00 0.00 C ATOM 779 CG GLU A 56 0.759 11.350 -9.067 1.00 0.00 C ATOM 780 CD GLU A 56 0.148 12.112 -10.227 1.00 0.00 C ATOM 781 OE1 GLU A 56 -0.766 12.928 -9.984 1.00 0.00 O ATOM 782 OE2 GLU A 56 0.583 11.894 -11.377 1.00 0.00 O ATOM 0 H GLU A 56 1.903 11.348 -6.824 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.613 9.886 -6.264 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.599 9.710 -8.863 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.151 11.196 -8.116 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.267 12.050 -8.404 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.516 10.664 -9.446 1.00 0.00 H new ATOM 789 N CYS A 57 0.286 7.676 -7.259 1.00 0.00 N ATOM 790 CA CYS A 57 0.905 6.368 -7.438 1.00 0.00 C ATOM 791 C CYS A 57 0.572 5.792 -8.811 1.00 0.00 C ATOM 792 O CYS A 57 -0.113 6.428 -9.612 1.00 0.00 O ATOM 793 CB CYS A 57 0.441 5.406 -6.343 1.00 0.00 C ATOM 794 SG CYS A 57 0.879 5.929 -4.668 1.00 0.00 S ATOM 0 H CYS A 57 -0.734 7.665 -7.271 1.00 0.00 H new ATOM 0 HA CYS A 57 1.986 6.493 -7.368 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.641 5.295 -6.406 1.00 0.00 H new ATOM 0 HB3 CYS A 57 0.874 4.423 -6.530 1.00 0.00 H new ATOM 0 HG CYS A 57 1.889 5.228 -4.245 1.00 0.00 H new ATOM 800 N TYR A 58 1.064 4.587 -9.076 1.00 0.00 N ATOM 801 CA TYR A 58 0.822 3.928 -10.354 1.00 0.00 C ATOM 802 C TYR A 58 0.086 2.606 -10.155 1.00 0.00 C ATOM 803 O TYR A 58 0.633 1.655 -9.596 1.00 0.00 O ATOM 804 CB TYR A 58 2.145 3.682 -11.083 1.00 0.00 C ATOM 805 CG TYR A 58 1.986 3.479 -12.573 1.00 0.00 C ATOM 806 CD1 TYR A 58 1.860 4.562 -13.433 1.00 0.00 C ATOM 807 CD2 TYR A 58 1.964 2.202 -13.120 1.00 0.00 C ATOM 808 CE1 TYR A 58 1.714 4.381 -14.794 1.00 0.00 C ATOM 809 CE2 TYR A 58 1.820 2.011 -14.481 1.00 0.00 C ATOM 810 CZ TYR A 58 1.695 3.103 -15.313 1.00 0.00 C ATOM 811 OH TYR A 58 1.551 2.918 -16.670 1.00 0.00 O ATOM 0 H TYR A 58 1.632 4.047 -8.424 1.00 0.00 H new ATOM 0 HA TYR A 58 0.197 4.584 -10.959 1.00 0.00 H new ATOM 0 HB2 TYR A 58 2.809 4.529 -10.909 1.00 0.00 H new ATOM 0 HB3 TYR A 58 2.629 2.804 -10.655 1.00 0.00 H new ATOM 0 HD1 TYR A 58 1.877 5.564 -13.030 1.00 0.00 H new ATOM 0 HD2 TYR A 58 2.061 1.344 -12.471 1.00 0.00 H new ATOM 0 HE1 TYR A 58 1.615 5.235 -15.448 1.00 0.00 H new ATOM 0 HE2 TYR A 58 1.805 1.012 -14.891 1.00 0.00 H new ATOM 0 HH TYR A 58 1.559 1.959 -16.872 1.00 0.00 H new ATOM 821 N VAL A 59 -1.159 2.555 -10.617 1.00 0.00 N ATOM 822 CA VAL A 59 -1.972 1.351 -10.492 1.00 0.00 C ATOM 823 C VAL A 59 -2.642 1.001 -11.815 1.00 0.00 C ATOM 824 O VAL A 59 -3.666 1.582 -12.178 1.00 0.00 O ATOM 825 CB VAL A 59 -3.054 1.514 -9.408 1.00 0.00 C ATOM 826 CG1 VAL A 59 -3.689 2.894 -9.491 1.00 0.00 C ATOM 827 CG2 VAL A 59 -4.108 0.425 -9.540 1.00 0.00 C ATOM 0 H VAL A 59 -1.627 3.333 -11.081 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.299 0.543 -10.204 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.582 1.415 -8.430 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.451 2.991 -8.718 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.924 3.656 -9.344 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.148 3.025 -10.471 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.865 0.555 -8.766 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.578 0.490 -10.522 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.638 -0.552 -9.427 1.00 0.00 H new ATOM 917 N LYS A 66 -6.552 -8.727 -9.353 1.00 0.00 N ATOM 918 CA LYS A 66 -5.603 -8.105 -8.436 1.00 0.00 C ATOM 919 C LYS A 66 -5.095 -6.780 -8.995 1.00 0.00 C ATOM 920 O LYS A 66 -5.263 -6.490 -10.180 1.00 0.00 O ATOM 921 CB LYS A 66 -4.425 -9.046 -8.173 1.00 0.00 C ATOM 922 CG LYS A 66 -4.770 -10.213 -7.264 1.00 0.00 C ATOM 923 CD LYS A 66 -3.521 -10.917 -6.762 1.00 0.00 C ATOM 924 CE LYS A 66 -2.695 -11.474 -7.911 1.00 0.00 C ATOM 925 NZ LYS A 66 -1.701 -12.480 -7.444 1.00 0.00 N ATOM 0 HA LYS A 66 -6.119 -7.908 -7.496 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.060 -9.433 -9.125 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.609 -8.477 -7.727 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.353 -9.854 -6.415 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -5.397 -10.923 -7.804 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.916 -10.219 -6.183 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.804 -11.727 -6.090 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.357 -11.932 -8.646 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.177 -10.658 -8.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.158 -12.835 -8.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.053 -12.037 -6.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.197 -13.271 -6.986 1.00 0.00 H new ATOM 939 N HIS A 67 -4.471 -5.981 -8.136 1.00 0.00 N ATOM 940 CA HIS A 67 -3.935 -4.688 -8.545 1.00 0.00 C ATOM 941 C HIS A 67 -2.505 -4.508 -8.043 1.00 0.00 C ATOM 942 O HIS A 67 -2.153 -4.973 -6.959 1.00 0.00 O ATOM 943 CB HIS A 67 -4.819 -3.556 -8.018 1.00 0.00 C ATOM 944 CG HIS A 67 -6.089 -3.378 -8.792 1.00 0.00 C ATOM 945 ND1 HIS A 67 -6.122 -2.893 -10.082 1.00 0.00 N ATOM 946 CD2 HIS A 67 -7.375 -3.625 -8.450 1.00 0.00 C ATOM 947 CE1 HIS A 67 -7.374 -2.848 -10.500 1.00 0.00 C ATOM 948 NE2 HIS A 67 -8.154 -3.287 -9.529 1.00 0.00 N ATOM 0 H HIS A 67 -4.324 -6.206 -7.152 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.925 -4.655 -9.634 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -5.064 -3.753 -6.974 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -4.255 -2.624 -8.042 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -7.723 -4.015 -7.505 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -7.704 -2.510 -11.471 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -9.170 -3.363 -9.573 1.00 0.00 H new ATOM 957 N THR A 68 -1.684 -3.831 -8.840 1.00 0.00 N ATOM 958 CA THR A 68 -0.293 -3.592 -8.479 1.00 0.00 C ATOM 959 C THR A 68 -0.014 -2.101 -8.320 1.00 0.00 C ATOM 960 O THR A 68 -0.389 -1.296 -9.173 1.00 0.00 O ATOM 961 CB THR A 68 0.669 -4.173 -9.532 1.00 0.00 C ATOM 962 OG1 THR A 68 0.320 -5.532 -9.818 1.00 0.00 O ATOM 963 CG2 THR A 68 2.109 -4.106 -9.045 1.00 0.00 C ATOM 0 H THR A 68 -1.959 -3.438 -9.740 1.00 0.00 H new ATOM 0 HA THR A 68 -0.123 -4.094 -7.527 1.00 0.00 H new ATOM 0 HB THR A 68 0.581 -3.577 -10.440 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.935 -5.893 -10.490 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.770 -4.522 -9.805 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.381 -3.068 -8.856 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.209 -4.680 -8.124 1.00 0.00 H new ATOM 971 N ILE A 69 0.645 -1.741 -7.224 1.00 0.00 N ATOM 972 CA ILE A 69 0.975 -0.347 -6.956 1.00 0.00 C ATOM 973 C ILE A 69 2.474 -0.101 -7.089 1.00 0.00 C ATOM 974 O ILE A 69 3.287 -0.955 -6.737 1.00 0.00 O ATOM 975 CB ILE A 69 0.520 0.078 -5.547 1.00 0.00 C ATOM 976 CG1 ILE A 69 -0.756 -0.668 -5.153 1.00 0.00 C ATOM 977 CG2 ILE A 69 0.298 1.582 -5.493 1.00 0.00 C ATOM 978 CD1 ILE A 69 -1.946 -0.333 -6.025 1.00 0.00 C ATOM 0 H ILE A 69 0.961 -2.395 -6.508 1.00 0.00 H new ATOM 0 HA ILE A 69 0.444 0.251 -7.697 1.00 0.00 H new ATOM 0 HB ILE A 69 1.304 -0.180 -4.835 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.570 -1.741 -5.203 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.998 -0.434 -4.116 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.023 1.867 -4.491 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.228 2.096 -5.736 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.470 1.862 -6.214 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.815 -0.898 -5.688 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.158 0.734 -5.957 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.723 -0.593 -7.060 1.00 0.00 H new ATOM 990 N ARG A 70 2.832 1.073 -7.600 1.00 0.00 N ATOM 991 CA ARG A 70 4.234 1.432 -7.779 1.00 0.00 C ATOM 992 C ARG A 70 4.459 2.910 -7.478 1.00 0.00 C ATOM 993 O ARG A 70 3.843 3.781 -8.094 1.00 0.00 O ATOM 994 CB ARG A 70 4.684 1.116 -9.207 1.00 0.00 C ATOM 995 CG ARG A 70 6.193 1.022 -9.363 1.00 0.00 C ATOM 996 CD ARG A 70 6.577 0.377 -10.686 1.00 0.00 C ATOM 997 NE ARG A 70 6.306 1.255 -11.821 1.00 0.00 N ATOM 998 CZ ARG A 70 7.105 2.251 -12.186 1.00 0.00 C ATOM 999 NH1 ARG A 70 8.219 2.495 -11.510 1.00 0.00 N ATOM 1000 NH2 ARG A 70 6.791 3.007 -13.231 1.00 0.00 N ATOM 0 H ARG A 70 2.171 1.791 -7.897 1.00 0.00 H new ATOM 0 HA ARG A 70 4.827 0.843 -7.080 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.235 0.173 -9.520 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.305 1.887 -9.877 1.00 0.00 H new ATOM 0 HG2 ARG A 70 6.629 2.019 -9.303 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.610 0.442 -8.540 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.636 0.121 -10.671 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.025 -0.555 -10.809 1.00 0.00 H new ATOM 0 HE ARG A 70 5.457 1.095 -12.363 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.465 1.917 -10.707 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.830 3.261 -11.793 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.935 2.823 -13.755 1.00 0.00 H new ATOM 0 HH22 ARG A 70 7.406 3.772 -13.510 1.00 0.00 H new ATOM 1014 N PHE A 71 5.345 3.187 -6.527 1.00 0.00 N ATOM 1015 CA PHE A 71 5.651 4.560 -6.143 1.00 0.00 C ATOM 1016 C PHE A 71 6.998 4.638 -5.430 1.00 0.00 C ATOM 1017 O PHE A 71 7.386 3.717 -4.711 1.00 0.00 O ATOM 1018 CB PHE A 71 4.549 5.117 -5.239 1.00 0.00 C ATOM 1019 CG PHE A 71 4.260 4.252 -4.045 1.00 0.00 C ATOM 1020 CD1 PHE A 71 5.195 4.114 -3.031 1.00 0.00 C ATOM 1021 CD2 PHE A 71 3.055 3.578 -3.936 1.00 0.00 C ATOM 1022 CE1 PHE A 71 4.932 3.319 -1.931 1.00 0.00 C ATOM 1023 CE2 PHE A 71 2.786 2.783 -2.838 1.00 0.00 C ATOM 1024 CZ PHE A 71 3.726 2.653 -1.835 1.00 0.00 C ATOM 0 H PHE A 71 5.864 2.479 -6.008 1.00 0.00 H new ATOM 0 HA PHE A 71 5.705 5.161 -7.051 1.00 0.00 H new ATOM 0 HB2 PHE A 71 4.838 6.111 -4.897 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.636 5.234 -5.822 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.139 4.633 -3.101 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.317 3.675 -4.718 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.669 3.219 -1.148 1.00 0.00 H new ATOM 0 HE2 PHE A 71 1.842 2.264 -2.765 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.518 2.031 -0.977 1.00 0.00 H new ATOM 1034 N ILE A 72 7.706 5.744 -5.635 1.00 0.00 N ATOM 1035 CA ILE A 72 9.008 5.943 -5.012 1.00 0.00 C ATOM 1036 C ILE A 72 8.974 7.107 -4.027 1.00 0.00 C ATOM 1037 O ILE A 72 8.498 8.199 -4.335 1.00 0.00 O ATOM 1038 CB ILE A 72 10.101 6.207 -6.065 1.00 0.00 C ATOM 1039 CG1 ILE A 72 10.486 4.906 -6.770 1.00 0.00 C ATOM 1040 CG2 ILE A 72 11.320 6.844 -5.414 1.00 0.00 C ATOM 1041 CD1 ILE A 72 11.178 5.120 -8.098 1.00 0.00 C ATOM 0 H ILE A 72 7.399 6.515 -6.228 1.00 0.00 H new ATOM 0 HA ILE A 72 9.246 5.024 -4.476 1.00 0.00 H new ATOM 0 HB ILE A 72 9.708 6.899 -6.810 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.141 4.329 -6.117 1.00 0.00 H new ATOM 0 HG13 ILE A 72 9.588 4.309 -6.929 1.00 0.00 H new ATOM 0 HG21 ILE A 72 12.084 7.025 -6.170 1.00 0.00 H new ATOM 0 HG22 ILE A 72 11.034 7.790 -4.954 1.00 0.00 H new ATOM 0 HG23 ILE A 72 11.716 6.174 -4.651 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.422 4.154 -8.541 1.00 0.00 H new ATOM 0 HD12 ILE A 72 10.517 5.670 -8.768 1.00 0.00 H new ATOM 0 HD13 ILE A 72 12.094 5.690 -7.943 1.00 0.00 H new ATOM 1053 N PRO A 73 9.493 6.870 -2.813 1.00 0.00 N ATOM 1054 CA PRO A 73 9.537 7.887 -1.759 1.00 0.00 C ATOM 1055 C PRO A 73 10.526 9.005 -2.072 1.00 0.00 C ATOM 1056 O PRO A 73 11.735 8.841 -1.908 1.00 0.00 O ATOM 1057 CB PRO A 73 9.990 7.101 -0.526 1.00 0.00 C ATOM 1058 CG PRO A 73 10.744 5.939 -1.075 1.00 0.00 C ATOM 1059 CD PRO A 73 10.079 5.591 -2.377 1.00 0.00 C ATOM 0 HA PRO A 73 8.576 8.386 -1.634 1.00 0.00 H new ATOM 0 HB2 PRO A 73 10.619 7.710 0.123 1.00 0.00 H new ATOM 0 HB3 PRO A 73 9.138 6.774 0.071 1.00 0.00 H new ATOM 0 HG2 PRO A 73 11.793 6.192 -1.228 1.00 0.00 H new ATOM 0 HG3 PRO A 73 10.717 5.095 -0.385 1.00 0.00 H new ATOM 0 HD2 PRO A 73 10.795 5.208 -3.104 1.00 0.00 H new ATOM 0 HD3 PRO A 73 9.316 4.823 -2.246 1.00 0.00 H new ATOM 1067 N HIS A 74 10.004 10.141 -2.522 1.00 0.00 N ATOM 1068 CA HIS A 74 10.843 11.287 -2.856 1.00 0.00 C ATOM 1069 C HIS A 74 11.632 11.757 -1.638 1.00 0.00 C ATOM 1070 O HIS A 74 12.712 12.332 -1.772 1.00 0.00 O ATOM 1071 CB HIS A 74 9.985 12.433 -3.395 1.00 0.00 C ATOM 1072 CG HIS A 74 9.737 12.353 -4.870 1.00 0.00 C ATOM 1073 ND1 HIS A 74 8.957 11.374 -5.450 1.00 0.00 N ATOM 1074 CD2 HIS A 74 10.169 13.137 -5.885 1.00 0.00 C ATOM 1075 CE1 HIS A 74 8.922 11.560 -6.757 1.00 0.00 C ATOM 1076 NE2 HIS A 74 9.649 12.623 -7.047 1.00 0.00 N ATOM 0 H HIS A 74 9.005 10.293 -2.664 1.00 0.00 H new ATOM 0 HA HIS A 74 11.549 10.977 -3.626 1.00 0.00 H new ATOM 0 HB2 HIS A 74 9.028 12.436 -2.874 1.00 0.00 H new ATOM 0 HB3 HIS A 74 10.474 13.380 -3.168 1.00 0.00 H new ATOM 0 HD2 HIS A 74 10.805 14.006 -5.797 1.00 0.00 H new ATOM 0 HE1 HIS A 74 8.389 10.946 -7.468 1.00 0.00 H new ATOM 0 HE2 HIS A 74 9.800 13.001 -7.982 1.00 0.00 H new ATOM 1085 N GLU A 75 11.086 11.508 -0.452 1.00 0.00 N ATOM 1086 CA GLU A 75 11.740 11.907 0.788 1.00 0.00 C ATOM 1087 C GLU A 75 11.675 10.787 1.822 1.00 0.00 C ATOM 1088 O GLU A 75 11.061 9.747 1.588 1.00 0.00 O ATOM 1089 CB GLU A 75 11.088 13.173 1.350 1.00 0.00 C ATOM 1090 CG GLU A 75 10.592 14.129 0.278 1.00 0.00 C ATOM 1091 CD GLU A 75 10.262 15.502 0.829 1.00 0.00 C ATOM 1092 OE1 GLU A 75 9.320 15.604 1.643 1.00 0.00 O ATOM 1093 OE2 GLU A 75 10.945 16.476 0.447 1.00 0.00 O ATOM 0 H GLU A 75 10.193 11.032 -0.324 1.00 0.00 H new ATOM 0 HA GLU A 75 12.787 12.113 0.566 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.250 12.888 1.987 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.808 13.692 1.983 1.00 0.00 H new ATOM 0 HG2 GLU A 75 11.352 14.226 -0.497 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.705 13.709 -0.196 1.00 0.00 H new ATOM 1100 N ASN A 76 12.314 11.008 2.966 1.00 0.00 N ATOM 1101 CA ASN A 76 12.331 10.017 4.037 1.00 0.00 C ATOM 1102 C ASN A 76 11.147 10.214 4.979 1.00 0.00 C ATOM 1103 O ASN A 76 10.349 11.135 4.806 1.00 0.00 O ATOM 1104 CB ASN A 76 13.641 10.106 4.821 1.00 0.00 C ATOM 1105 CG ASN A 76 14.793 9.432 4.100 1.00 0.00 C ATOM 1106 OD1 ASN A 76 14.587 8.185 3.692 1.00 0.00 O flip ATOM 1107 ND2 ASN A 76 15.855 10.026 3.912 1.00 0.00 N flip ATOM 0 H ASN A 76 12.827 11.864 3.176 1.00 0.00 H new ATOM 0 HA ASN A 76 12.252 9.028 3.585 1.00 0.00 H new ATOM 0 HB2 ASN A 76 13.887 11.154 4.994 1.00 0.00 H new ATOM 0 HB3 ASN A 76 13.508 9.644 5.799 1.00 0.00 H new ATOM 0 HD21 ASN A 76 15.969 10.984 4.243 1.00 0.00 H new ATOM 0 HD22 ASN A 76 16.621 9.560 3.425 1.00 0.00 H new ATOM 1114 N GLY A 77 11.040 9.342 5.976 1.00 0.00 N ATOM 1115 CA GLY A 77 9.951 9.437 6.931 1.00 0.00 C ATOM 1116 C GLY A 77 8.840 8.446 6.644 1.00 0.00 C ATOM 1117 O GLY A 77 8.923 7.667 5.695 1.00 0.00 O ATOM 0 H GLY A 77 11.688 8.571 6.140 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.337 9.265 7.936 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.545 10.448 6.915 1.00 0.00 H new ATOM 1121 N VAL A 78 7.797 8.475 7.468 1.00 0.00 N ATOM 1122 CA VAL A 78 6.665 7.572 7.299 1.00 0.00 C ATOM 1123 C VAL A 78 5.577 8.210 6.441 1.00 0.00 C ATOM 1124 O VAL A 78 4.877 9.122 6.883 1.00 0.00 O ATOM 1125 CB VAL A 78 6.061 7.168 8.657 1.00 0.00 C ATOM 1126 CG1 VAL A 78 4.888 6.220 8.459 1.00 0.00 C ATOM 1127 CG2 VAL A 78 7.123 6.537 9.545 1.00 0.00 C ATOM 0 H VAL A 78 7.713 9.114 8.259 1.00 0.00 H new ATOM 0 HA VAL A 78 7.043 6.681 6.799 1.00 0.00 H new ATOM 0 HB VAL A 78 5.692 8.066 9.153 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.474 5.946 9.429 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.119 6.712 7.863 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.229 5.322 7.943 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.679 6.258 10.501 1.00 0.00 H new ATOM 0 HG22 VAL A 78 7.524 5.648 9.057 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.928 7.252 9.714 1.00 0.00 H new ATOM 1137 N HIS A 79 5.440 7.724 5.212 1.00 0.00 N ATOM 1138 CA HIS A 79 4.436 8.245 4.291 1.00 0.00 C ATOM 1139 C HIS A 79 3.066 7.639 4.580 1.00 0.00 C ATOM 1140 O HIS A 79 2.958 6.625 5.270 1.00 0.00 O ATOM 1141 CB HIS A 79 4.840 7.956 2.845 1.00 0.00 C ATOM 1142 CG HIS A 79 6.013 8.761 2.378 1.00 0.00 C ATOM 1143 ND1 HIS A 79 7.108 9.026 3.174 1.00 0.00 N ATOM 1144 CD2 HIS A 79 6.260 9.359 1.189 1.00 0.00 C ATOM 1145 CE1 HIS A 79 7.977 9.754 2.495 1.00 0.00 C ATOM 1146 NE2 HIS A 79 7.486 9.969 1.287 1.00 0.00 N ATOM 0 H HIS A 79 6.011 6.970 4.830 1.00 0.00 H new ATOM 0 HA HIS A 79 4.374 9.324 4.434 1.00 0.00 H new ATOM 0 HB2 HIS A 79 5.075 6.896 2.747 1.00 0.00 H new ATOM 0 HB3 HIS A 79 3.990 8.155 2.192 1.00 0.00 H new ATOM 0 HD2 HIS A 79 5.613 9.357 0.324 1.00 0.00 H new ATOM 0 HE1 HIS A 79 8.927 10.112 2.864 1.00 0.00 H new ATOM 0 HE2 HIS A 79 7.944 10.502 0.547 1.00 0.00 H new ATOM 1155 N SER A 80 2.022 8.266 4.048 1.00 0.00 N ATOM 1156 CA SER A 80 0.659 7.791 4.253 1.00 0.00 C ATOM 1157 C SER A 80 0.055 7.290 2.944 1.00 0.00 C ATOM 1158 O SER A 80 -0.221 8.074 2.036 1.00 0.00 O ATOM 1159 CB SER A 80 -0.211 8.907 4.835 1.00 0.00 C ATOM 1160 OG SER A 80 -0.129 8.932 6.249 1.00 0.00 O ATOM 0 H SER A 80 2.094 9.104 3.472 1.00 0.00 H new ATOM 0 HA SER A 80 0.693 6.961 4.959 1.00 0.00 H new ATOM 0 HB2 SER A 80 0.107 9.868 4.432 1.00 0.00 H new ATOM 0 HB3 SER A 80 -1.247 8.761 4.530 1.00 0.00 H new ATOM 0 HG SER A 80 -0.692 9.655 6.597 1.00 0.00 H new ATOM 1166 N ILE A 81 -0.146 5.980 2.856 1.00 0.00 N ATOM 1167 CA ILE A 81 -0.717 5.374 1.659 1.00 0.00 C ATOM 1168 C ILE A 81 -2.241 5.378 1.715 1.00 0.00 C ATOM 1169 O ILE A 81 -2.844 4.680 2.530 1.00 0.00 O ATOM 1170 CB ILE A 81 -0.225 3.927 1.471 1.00 0.00 C ATOM 1171 CG1 ILE A 81 1.258 3.819 1.832 1.00 0.00 C ATOM 1172 CG2 ILE A 81 -0.463 3.469 0.040 1.00 0.00 C ATOM 1173 CD1 ILE A 81 2.151 4.699 0.987 1.00 0.00 C ATOM 0 H ILE A 81 0.078 5.318 3.599 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.385 5.974 0.812 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.790 3.276 2.138 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.388 4.084 2.881 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.576 2.782 1.723 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -0.110 2.444 -0.078 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.529 3.514 -0.184 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.079 4.120 -0.645 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.188 4.571 1.298 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.050 4.420 -0.062 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.860 5.742 1.114 1.00 0.00 H new ATOM 1185 N ASP A 82 -2.858 6.167 0.843 1.00 0.00 N ATOM 1186 CA ASP A 82 -4.312 6.260 0.790 1.00 0.00 C ATOM 1187 C ASP A 82 -4.893 5.181 -0.119 1.00 0.00 C ATOM 1188 O ASP A 82 -4.882 5.313 -1.343 1.00 0.00 O ATOM 1189 CB ASP A 82 -4.739 7.643 0.297 1.00 0.00 C ATOM 1190 CG ASP A 82 -6.180 7.671 -0.172 1.00 0.00 C ATOM 1191 OD1 ASP A 82 -7.084 7.677 0.689 1.00 0.00 O ATOM 1192 OD2 ASP A 82 -6.404 7.687 -1.401 1.00 0.00 O ATOM 0 H ASP A 82 -2.373 6.752 0.162 1.00 0.00 H new ATOM 0 HA ASP A 82 -4.698 6.107 1.798 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -4.607 8.368 1.100 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -4.088 7.951 -0.521 1.00 0.00 H new ATOM 1197 N VAL A 83 -5.400 4.112 0.488 1.00 0.00 N ATOM 1198 CA VAL A 83 -5.985 3.010 -0.266 1.00 0.00 C ATOM 1199 C VAL A 83 -7.498 2.960 -0.081 1.00 0.00 C ATOM 1200 O VAL A 83 -7.992 2.677 1.010 1.00 0.00 O ATOM 1201 CB VAL A 83 -5.382 1.658 0.158 1.00 0.00 C ATOM 1202 CG1 VAL A 83 -5.886 0.542 -0.745 1.00 0.00 C ATOM 1203 CG2 VAL A 83 -3.863 1.723 0.142 1.00 0.00 C ATOM 0 H VAL A 83 -5.417 3.986 1.500 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.756 3.188 -1.317 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.702 1.441 1.177 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.449 -0.406 -0.430 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.972 0.481 -0.677 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.598 0.750 -1.776 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.454 0.759 0.444 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.520 1.963 -0.864 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.524 2.494 0.834 1.00 0.00 H new ATOM 1213 N LYS A 84 -8.228 3.237 -1.156 1.00 0.00 N ATOM 1214 CA LYS A 84 -9.686 3.222 -1.115 1.00 0.00 C ATOM 1215 C LYS A 84 -10.247 2.178 -2.075 1.00 0.00 C ATOM 1216 O LYS A 84 -9.585 1.784 -3.035 1.00 0.00 O ATOM 1217 CB LYS A 84 -10.240 4.605 -1.467 1.00 0.00 C ATOM 1218 CG LYS A 84 -10.283 5.562 -0.289 1.00 0.00 C ATOM 1219 CD LYS A 84 -10.875 6.904 -0.682 1.00 0.00 C ATOM 1220 CE LYS A 84 -9.801 7.868 -1.163 1.00 0.00 C ATOM 1221 NZ LYS A 84 -10.384 9.148 -1.653 1.00 0.00 N ATOM 0 H LYS A 84 -7.834 3.475 -2.066 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.994 2.961 -0.103 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -9.628 5.042 -2.257 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -11.247 4.492 -1.869 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -10.874 5.124 0.515 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -9.275 5.708 0.099 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -11.615 6.760 -1.469 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -11.398 7.336 0.171 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -9.106 8.074 -0.349 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -9.226 7.401 -1.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -9.620 9.778 -1.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -11.028 8.955 -2.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -10.912 9.606 -0.883 1.00 0.00 H new ATOM 1235 N PHE A 85 -11.471 1.734 -1.810 1.00 0.00 N ATOM 1236 CA PHE A 85 -12.121 0.736 -2.651 1.00 0.00 C ATOM 1237 C PHE A 85 -13.585 1.095 -2.889 1.00 0.00 C ATOM 1238 O PHE A 85 -14.379 1.160 -1.952 1.00 0.00 O ATOM 1239 CB PHE A 85 -12.022 -0.648 -2.006 1.00 0.00 C ATOM 1240 CG PHE A 85 -12.343 -1.773 -2.947 1.00 0.00 C ATOM 1241 CD1 PHE A 85 -11.657 -1.911 -4.143 1.00 0.00 C ATOM 1242 CD2 PHE A 85 -13.333 -2.692 -2.638 1.00 0.00 C ATOM 1243 CE1 PHE A 85 -11.950 -2.945 -5.012 1.00 0.00 C ATOM 1244 CE2 PHE A 85 -13.630 -3.729 -3.502 1.00 0.00 C ATOM 1245 CZ PHE A 85 -12.938 -3.855 -4.691 1.00 0.00 C ATOM 0 H PHE A 85 -12.033 2.050 -1.019 1.00 0.00 H new ATOM 0 HA PHE A 85 -11.609 0.719 -3.613 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -11.013 -0.787 -1.617 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -12.701 -0.692 -1.155 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -10.884 -1.202 -4.399 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -13.879 -2.597 -1.711 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -11.407 -3.041 -5.941 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -14.402 -4.440 -3.248 1.00 0.00 H new ATOM 0 HZ PHE A 85 -13.169 -4.664 -5.368 1.00 0.00 H new ATOM 1255 N ASN A 86 -13.933 1.328 -4.150 1.00 0.00 N ATOM 1256 CA ASN A 86 -15.301 1.682 -4.513 1.00 0.00 C ATOM 1257 C ASN A 86 -15.927 2.586 -3.456 1.00 0.00 C ATOM 1258 O ASN A 86 -17.028 2.326 -2.974 1.00 0.00 O ATOM 1259 CB ASN A 86 -16.147 0.419 -4.686 1.00 0.00 C ATOM 1260 CG ASN A 86 -15.962 -0.219 -6.049 1.00 0.00 C ATOM 1261 OD1 ASN A 86 -15.144 0.231 -6.852 1.00 0.00 O ATOM 1262 ND2 ASN A 86 -16.723 -1.274 -6.317 1.00 0.00 N ATOM 0 H ASN A 86 -13.287 1.278 -4.938 1.00 0.00 H new ATOM 0 HA ASN A 86 -15.272 2.224 -5.458 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -15.882 -0.301 -3.912 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -17.199 0.667 -4.544 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -16.643 -1.745 -7.218 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -17.388 -1.613 -5.622 1.00 0.00 H new ATOM 1269 N GLY A 87 -15.215 3.652 -3.100 1.00 0.00 N ATOM 1270 CA GLY A 87 -15.717 4.580 -2.103 1.00 0.00 C ATOM 1271 C GLY A 87 -15.822 3.952 -0.728 1.00 0.00 C ATOM 1272 O GLY A 87 -16.875 4.005 -0.092 1.00 0.00 O ATOM 0 H GLY A 87 -14.300 3.889 -3.484 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -15.058 5.447 -2.054 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -16.698 4.942 -2.410 1.00 0.00 H new ATOM 1276 N ALA A 88 -14.728 3.354 -0.267 1.00 0.00 N ATOM 1277 CA ALA A 88 -14.702 2.713 1.042 1.00 0.00 C ATOM 1278 C ALA A 88 -13.270 2.510 1.525 1.00 0.00 C ATOM 1279 O ALA A 88 -12.506 1.747 0.933 1.00 0.00 O ATOM 1280 CB ALA A 88 -15.438 1.382 0.994 1.00 0.00 C ATOM 0 H ALA A 88 -13.848 3.300 -0.781 1.00 0.00 H new ATOM 0 HA ALA A 88 -15.208 3.369 1.750 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -15.410 0.915 1.979 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -16.474 1.550 0.701 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -14.957 0.726 0.268 1.00 0.00 H new ATOM 1286 N HIS A 89 -12.911 3.199 2.604 1.00 0.00 N ATOM 1287 CA HIS A 89 -11.569 3.095 3.167 1.00 0.00 C ATOM 1288 C HIS A 89 -11.343 1.716 3.780 1.00 0.00 C ATOM 1289 O HIS A 89 -12.122 1.265 4.621 1.00 0.00 O ATOM 1290 CB HIS A 89 -11.350 4.178 4.223 1.00 0.00 C ATOM 1291 CG HIS A 89 -10.792 5.452 3.669 1.00 0.00 C ATOM 1292 ND1 HIS A 89 -9.466 5.809 3.790 1.00 0.00 N ATOM 1293 CD2 HIS A 89 -11.389 6.456 2.984 1.00 0.00 C ATOM 1294 CE1 HIS A 89 -9.271 6.977 3.206 1.00 0.00 C ATOM 1295 NE2 HIS A 89 -10.422 7.391 2.709 1.00 0.00 N ATOM 0 H HIS A 89 -13.531 3.835 3.106 1.00 0.00 H new ATOM 0 HA HIS A 89 -10.851 3.237 2.359 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -12.299 4.391 4.715 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.673 3.797 4.987 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -12.431 6.511 2.706 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -8.330 7.504 3.145 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -10.569 8.264 2.203 1.00 0.00 H new ATOM 1304 N ILE A 90 -10.274 1.052 3.353 1.00 0.00 N ATOM 1305 CA ILE A 90 -9.947 -0.275 3.861 1.00 0.00 C ATOM 1306 C ILE A 90 -9.475 -0.208 5.309 1.00 0.00 C ATOM 1307 O ILE A 90 -8.910 0.789 5.759 1.00 0.00 O ATOM 1308 CB ILE A 90 -8.857 -0.950 3.008 1.00 0.00 C ATOM 1309 CG1 ILE A 90 -7.523 -0.218 3.173 1.00 0.00 C ATOM 1310 CG2 ILE A 90 -9.272 -0.983 1.545 1.00 0.00 C ATOM 1311 CD1 ILE A 90 -6.316 -1.105 2.960 1.00 0.00 C ATOM 0 H ILE A 90 -9.620 1.411 2.657 1.00 0.00 H new ATOM 0 HA ILE A 90 -10.860 -0.868 3.806 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.732 -1.977 3.352 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.483 0.611 2.467 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.475 0.212 4.173 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -8.491 -1.463 0.956 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -10.201 -1.545 1.443 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -9.423 0.035 1.186 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.406 -0.519 3.093 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.331 -1.920 3.683 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.339 -1.515 1.950 1.00 0.00 H new ATOM 1323 N PRO A 91 -9.710 -1.295 6.059 1.00 0.00 N ATOM 1324 CA PRO A 91 -9.315 -1.386 7.468 1.00 0.00 C ATOM 1325 C PRO A 91 -7.803 -1.473 7.641 1.00 0.00 C ATOM 1326 O PRO A 91 -7.199 -2.517 7.399 1.00 0.00 O ATOM 1327 CB PRO A 91 -9.983 -2.680 7.940 1.00 0.00 C ATOM 1328 CG PRO A 91 -10.140 -3.498 6.705 1.00 0.00 C ATOM 1329 CD PRO A 91 -10.379 -2.520 5.588 1.00 0.00 C ATOM 0 HA PRO A 91 -9.615 -0.504 8.034 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -9.370 -3.194 8.680 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -10.947 -2.480 8.408 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -9.248 -4.095 6.517 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -10.974 -4.193 6.801 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -9.956 -2.873 4.647 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -11.443 -2.357 5.417 1.00 0.00 H new ATOM 1337 N GLY A 92 -7.196 -0.368 8.063 1.00 0.00 N ATOM 1338 CA GLY A 92 -5.758 -0.341 8.262 1.00 0.00 C ATOM 1339 C GLY A 92 -5.100 0.838 7.573 1.00 0.00 C ATOM 1340 O GLY A 92 -3.991 1.234 7.931 1.00 0.00 O ATOM 0 H GLY A 92 -7.674 0.509 8.271 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -5.543 -0.300 9.330 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -5.324 -1.267 7.884 1.00 0.00 H new ATOM 1344 N SER A 93 -5.783 1.399 6.581 1.00 0.00 N ATOM 1345 CA SER A 93 -5.255 2.536 5.836 1.00 0.00 C ATOM 1346 C SER A 93 -5.573 3.847 6.548 1.00 0.00 C ATOM 1347 O SER A 93 -6.552 3.960 7.287 1.00 0.00 O ATOM 1348 CB SER A 93 -5.833 2.558 4.420 1.00 0.00 C ATOM 1349 OG SER A 93 -5.955 3.885 3.939 1.00 0.00 O ATOM 0 H SER A 93 -6.704 1.085 6.274 1.00 0.00 H new ATOM 0 HA SER A 93 -4.172 2.428 5.777 1.00 0.00 H new ATOM 0 HB2 SER A 93 -5.190 1.984 3.753 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.810 2.075 4.415 1.00 0.00 H new ATOM 0 HG SER A 93 -6.597 3.907 3.199 1.00 0.00 H new ATOM 1355 N PRO A 94 -4.727 4.863 6.322 1.00 0.00 N ATOM 1356 CA PRO A 94 -3.559 4.740 5.445 1.00 0.00 C ATOM 1357 C PRO A 94 -2.479 3.844 6.041 1.00 0.00 C ATOM 1358 O PRO A 94 -2.236 3.865 7.248 1.00 0.00 O ATOM 1359 CB PRO A 94 -3.053 6.179 5.323 1.00 0.00 C ATOM 1360 CG PRO A 94 -3.531 6.854 6.563 1.00 0.00 C ATOM 1361 CD PRO A 94 -4.846 6.210 6.905 1.00 0.00 C ATOM 0 HA PRO A 94 -3.813 4.281 4.489 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -1.966 6.212 5.248 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -3.449 6.664 4.430 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -2.814 6.732 7.375 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -3.651 7.925 6.402 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -5.005 6.169 7.983 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.686 6.760 6.479 1.00 0.00 H new ATOM 1369 N PHE A 95 -1.831 3.058 5.187 1.00 0.00 N ATOM 1370 CA PHE A 95 -0.776 2.154 5.630 1.00 0.00 C ATOM 1371 C PHE A 95 0.522 2.915 5.882 1.00 0.00 C ATOM 1372 O PHE A 95 1.133 3.447 4.955 1.00 0.00 O ATOM 1373 CB PHE A 95 -0.544 1.057 4.588 1.00 0.00 C ATOM 1374 CG PHE A 95 -1.603 -0.008 4.593 1.00 0.00 C ATOM 1375 CD1 PHE A 95 -1.871 -0.733 5.743 1.00 0.00 C ATOM 1376 CD2 PHE A 95 -2.331 -0.284 3.447 1.00 0.00 C ATOM 1377 CE1 PHE A 95 -2.845 -1.713 5.751 1.00 0.00 C ATOM 1378 CE2 PHE A 95 -3.307 -1.263 3.448 1.00 0.00 C ATOM 1379 CZ PHE A 95 -3.563 -1.979 4.601 1.00 0.00 C ATOM 0 H PHE A 95 -2.018 3.029 4.185 1.00 0.00 H new ATOM 0 HA PHE A 95 -1.095 1.695 6.566 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -0.501 1.511 3.598 1.00 0.00 H new ATOM 0 HB3 PHE A 95 0.426 0.594 4.769 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -1.312 -0.530 6.644 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -2.134 0.272 2.542 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -3.045 -2.270 6.654 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -3.869 -1.468 2.548 1.00 0.00 H new ATOM 0 HZ PHE A 95 -4.323 -2.746 4.604 1.00 0.00 H new ATOM 1389 N LYS A 96 0.938 2.963 7.143 1.00 0.00 N ATOM 1390 CA LYS A 96 2.164 3.657 7.519 1.00 0.00 C ATOM 1391 C LYS A 96 3.392 2.836 7.142 1.00 0.00 C ATOM 1392 O LYS A 96 3.600 1.739 7.661 1.00 0.00 O ATOM 1393 CB LYS A 96 2.170 3.945 9.022 1.00 0.00 C ATOM 1394 CG LYS A 96 0.933 4.681 9.506 1.00 0.00 C ATOM 1395 CD LYS A 96 1.092 6.187 9.371 1.00 0.00 C ATOM 1396 CE LYS A 96 0.165 6.932 10.318 1.00 0.00 C ATOM 1397 NZ LYS A 96 0.117 8.389 10.015 1.00 0.00 N ATOM 0 H LYS A 96 0.444 2.529 7.923 1.00 0.00 H new ATOM 0 HA LYS A 96 2.200 4.601 6.974 1.00 0.00 H new ATOM 0 HB2 LYS A 96 2.257 3.003 9.563 1.00 0.00 H new ATOM 0 HB3 LYS A 96 3.053 4.536 9.267 1.00 0.00 H new ATOM 0 HG2 LYS A 96 0.066 4.353 8.933 1.00 0.00 H new ATOM 0 HG3 LYS A 96 0.741 4.426 10.548 1.00 0.00 H new ATOM 0 HD2 LYS A 96 2.125 6.465 9.578 1.00 0.00 H new ATOM 0 HD3 LYS A 96 0.881 6.486 8.344 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -0.839 6.513 10.248 1.00 0.00 H new ATOM 0 HE3 LYS A 96 0.500 6.785 11.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.526 8.861 10.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 1.070 8.794 10.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -0.227 8.530 9.044 1.00 0.00 H new ATOM 1411 N ILE A 97 4.204 3.374 6.238 1.00 0.00 N ATOM 1412 CA ILE A 97 5.413 2.691 5.795 1.00 0.00 C ATOM 1413 C ILE A 97 6.660 3.489 6.160 1.00 0.00 C ATOM 1414 O ILE A 97 6.796 4.654 5.785 1.00 0.00 O ATOM 1415 CB ILE A 97 5.398 2.451 4.274 1.00 0.00 C ATOM 1416 CG1 ILE A 97 5.081 3.752 3.533 1.00 0.00 C ATOM 1417 CG2 ILE A 97 4.387 1.372 3.918 1.00 0.00 C ATOM 1418 CD1 ILE A 97 5.047 3.598 2.029 1.00 0.00 C ATOM 0 H ILE A 97 4.046 4.281 5.798 1.00 0.00 H new ATOM 0 HA ILE A 97 5.438 1.729 6.306 1.00 0.00 H new ATOM 0 HB ILE A 97 6.386 2.111 3.965 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.116 4.129 3.873 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.827 4.502 3.797 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.388 1.214 2.840 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.654 0.443 4.421 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.393 1.685 4.238 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.817 4.559 1.570 1.00 0.00 H new ATOM 0 HD12 ILE A 97 6.018 3.251 1.677 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.281 2.872 1.755 1.00 0.00 H new ATOM 1430 N ARG A 98 7.569 2.854 6.893 1.00 0.00 N ATOM 1431 CA ARG A 98 8.806 3.504 7.308 1.00 0.00 C ATOM 1432 C ARG A 98 9.822 3.516 6.171 1.00 0.00 C ATOM 1433 O ARG A 98 10.284 2.465 5.725 1.00 0.00 O ATOM 1434 CB ARG A 98 9.397 2.792 8.527 1.00 0.00 C ATOM 1435 CG ARG A 98 10.390 3.639 9.305 1.00 0.00 C ATOM 1436 CD ARG A 98 10.992 2.865 10.467 1.00 0.00 C ATOM 1437 NE ARG A 98 12.115 3.575 11.074 1.00 0.00 N ATOM 1438 CZ ARG A 98 11.973 4.614 11.890 1.00 0.00 C ATOM 1439 NH1 ARG A 98 10.763 5.060 12.196 1.00 0.00 N ATOM 1440 NH2 ARG A 98 13.043 5.207 12.403 1.00 0.00 N ATOM 0 H ARG A 98 7.472 1.890 7.212 1.00 0.00 H new ATOM 0 HA ARG A 98 8.573 4.535 7.575 1.00 0.00 H new ATOM 0 HB2 ARG A 98 8.586 2.495 9.192 1.00 0.00 H new ATOM 0 HB3 ARG A 98 9.891 1.878 8.199 1.00 0.00 H new ATOM 0 HG2 ARG A 98 11.185 3.974 8.639 1.00 0.00 H new ATOM 0 HG3 ARG A 98 9.892 4.533 9.681 1.00 0.00 H new ATOM 0 HD2 ARG A 98 10.225 2.688 11.221 1.00 0.00 H new ATOM 0 HD3 ARG A 98 11.327 1.888 10.117 1.00 0.00 H new ATOM 0 HE ARG A 98 13.060 3.256 10.860 1.00 0.00 H new ATOM 0 HH11 ARG A 98 9.938 4.605 11.805 1.00 0.00 H new ATOM 0 HH12 ARG A 98 10.657 5.858 12.823 1.00 0.00 H new ATOM 0 HH21 ARG A 98 13.976 4.865 12.171 1.00 0.00 H new ATOM 0 HH22 ARG A 98 12.933 6.005 13.029 1.00 0.00 H new ATOM 1454 N VAL A 99 10.166 4.712 5.704 1.00 0.00 N ATOM 1455 CA VAL A 99 11.129 4.862 4.619 1.00 0.00 C ATOM 1456 C VAL A 99 12.472 5.358 5.140 1.00 0.00 C ATOM 1457 O VAL A 99 12.609 6.516 5.533 1.00 0.00 O ATOM 1458 CB VAL A 99 10.615 5.839 3.544 1.00 0.00 C ATOM 1459 CG1 VAL A 99 11.656 6.025 2.451 1.00 0.00 C ATOM 1460 CG2 VAL A 99 9.300 5.345 2.961 1.00 0.00 C ATOM 0 H VAL A 99 9.792 5.592 6.060 1.00 0.00 H new ATOM 0 HA VAL A 99 11.258 3.876 4.172 1.00 0.00 H new ATOM 0 HB VAL A 99 10.437 6.807 4.012 1.00 0.00 H new ATOM 0 HG11 VAL A 99 11.276 6.718 1.701 1.00 0.00 H new ATOM 0 HG12 VAL A 99 12.572 6.427 2.885 1.00 0.00 H new ATOM 0 HG13 VAL A 99 11.868 5.064 1.983 1.00 0.00 H new ATOM 0 HG21 VAL A 99 8.951 6.047 2.203 1.00 0.00 H new ATOM 0 HG22 VAL A 99 9.449 4.365 2.507 1.00 0.00 H new ATOM 0 HG23 VAL A 99 8.556 5.268 3.754 1.00 0.00 H new