USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=20 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 35 GLN : amide:sc= 0 K(o=-1.3,f=-2.2) USER MOD Set 1.2: A 37 ASN :FLIP amide:sc= -1.32 F(o=-3.8!,f=-1.3) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.145 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= -0.104 K(o=-0.1,f=-2!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 146:sc= -1.06 (180deg=-2.86!) USER MOD Single : A 27 ASN :FLIP amide:sc= -3.89! C(o=-5.3!,f=-3.9!) USER MOD Single : A 28 GLN : amide:sc= -2.04 K(o=-2,f=-8.7!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.0106 X(o=-0.011,f=-0.01) USER MOD Single : A 49 THR OG1 : rot -75:sc= 1.14 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot -97:sc= -8.23! USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= -0.128 (180deg=-0.128) USER MOD Single : A 67 HIS : no HD1:sc= -2.08 X(o=-2.1,f=-1.9) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HE2:sc= 0.139 K(o=0.14,f=-0.6) USER MOD Single : A 76 ASN :FLIP amide:sc= -1.37 F(o=-4!,f=-1.4) USER MOD Single : A 79 HIS : +bothHN:sc= -0.749 K(o=-0.75,f=-9.1!) USER MOD Single : A 80 SER OG : rot 180:sc= -2.05 USER MOD Single : A 84 LYS NZ :NH3+ 150:sc= -0.0647 (180deg=-0.833) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0.029) USER MOD Single : A 89 HIS : no HD1:sc= -0.124 X(o=-0.12,f=-0.23) USER MOD Single : A 93 SER OG : rot -150:sc= -0.944 USER MOD Single : A 96 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0132) USER MOD ----------------------------------------------------------------- ATOM 101 N ALA A 11 -14.490 -4.286 1.008 1.00 0.00 N ATOM 102 CA ALA A 11 -13.154 -3.743 1.219 1.00 0.00 C ATOM 103 C ALA A 11 -12.445 -4.461 2.362 1.00 0.00 C ATOM 104 O ALA A 11 -11.227 -4.639 2.334 1.00 0.00 O ATOM 105 CB ALA A 11 -13.230 -2.249 1.497 1.00 0.00 C ATOM 0 HA ALA A 11 -12.575 -3.903 0.310 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -12.225 -1.856 1.653 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -13.689 -1.744 0.647 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -13.830 -2.075 2.390 1.00 0.00 H new ATOM 111 N ARG A 12 -13.213 -4.870 3.366 1.00 0.00 N ATOM 112 CA ARG A 12 -12.657 -5.567 4.519 1.00 0.00 C ATOM 113 C ARG A 12 -11.787 -6.740 4.078 1.00 0.00 C ATOM 114 O ARG A 12 -10.803 -7.078 4.736 1.00 0.00 O ATOM 115 CB ARG A 12 -13.780 -6.066 5.431 1.00 0.00 C ATOM 116 CG ARG A 12 -14.697 -4.960 5.928 1.00 0.00 C ATOM 117 CD ARG A 12 -13.990 -4.056 6.925 1.00 0.00 C ATOM 118 NE ARG A 12 -14.914 -3.503 7.912 1.00 0.00 N ATOM 119 CZ ARG A 12 -14.540 -3.092 9.119 1.00 0.00 C ATOM 120 NH1 ARG A 12 -13.268 -3.171 9.485 1.00 0.00 N ATOM 121 NH2 ARG A 12 -15.439 -2.600 9.962 1.00 0.00 N ATOM 0 H ARG A 12 -14.223 -4.731 3.404 1.00 0.00 H new ATOM 0 HA ARG A 12 -12.035 -4.863 5.072 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.374 -6.804 4.892 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -13.341 -6.575 6.289 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -15.046 -4.368 5.082 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -15.579 -5.399 6.395 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -13.209 -4.620 7.435 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -13.499 -3.242 6.392 1.00 0.00 H new ATOM 0 HE ARG A 12 -15.900 -3.428 7.661 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -12.574 -3.548 8.839 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -12.983 -2.855 10.412 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -16.418 -2.537 9.684 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -15.151 -2.285 10.888 1.00 0.00 H new ATOM 135 N ARG A 13 -12.157 -7.358 2.961 1.00 0.00 N ATOM 136 CA ARG A 13 -11.412 -8.494 2.433 1.00 0.00 C ATOM 137 C ARG A 13 -10.044 -8.055 1.917 1.00 0.00 C ATOM 138 O ARG A 13 -9.057 -8.780 2.048 1.00 0.00 O ATOM 139 CB ARG A 13 -12.199 -9.171 1.310 1.00 0.00 C ATOM 140 CG ARG A 13 -13.620 -9.544 1.701 1.00 0.00 C ATOM 141 CD ARG A 13 -14.535 -9.601 0.488 1.00 0.00 C ATOM 142 NE ARG A 13 -15.626 -10.555 0.670 1.00 0.00 N ATOM 143 CZ ARG A 13 -16.568 -10.776 -0.240 1.00 0.00 C ATOM 144 NH1 ARG A 13 -16.553 -10.115 -1.389 1.00 0.00 N ATOM 145 NH2 ARG A 13 -17.529 -11.660 -0.001 1.00 0.00 N ATOM 0 H ARG A 13 -12.969 -7.091 2.404 1.00 0.00 H new ATOM 0 HA ARG A 13 -11.264 -9.207 3.244 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -12.231 -8.505 0.448 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -11.669 -10.071 0.998 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -13.618 -10.512 2.203 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -14.005 -8.816 2.415 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -14.948 -8.610 0.298 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -13.954 -9.878 -0.392 1.00 0.00 H new ATOM 0 HE ARG A 13 -15.667 -11.080 1.544 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -15.817 -9.434 -1.576 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -17.278 -10.287 -2.086 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -17.544 -12.170 0.882 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -18.252 -11.829 -0.700 1.00 0.00 H new ATOM 159 N LEU A 14 -9.994 -6.864 1.331 1.00 0.00 N ATOM 160 CA LEU A 14 -8.748 -6.328 0.794 1.00 0.00 C ATOM 161 C LEU A 14 -7.635 -6.391 1.836 1.00 0.00 C ATOM 162 O LEU A 14 -7.860 -6.129 3.018 1.00 0.00 O ATOM 163 CB LEU A 14 -8.948 -4.884 0.332 1.00 0.00 C ATOM 164 CG LEU A 14 -10.128 -4.638 -0.610 1.00 0.00 C ATOM 165 CD1 LEU A 14 -10.339 -3.147 -0.824 1.00 0.00 C ATOM 166 CD2 LEU A 14 -9.903 -5.343 -1.940 1.00 0.00 C ATOM 0 H LEU A 14 -10.801 -6.251 1.216 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.457 -6.939 -0.060 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -9.076 -4.256 1.214 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.036 -4.553 -0.166 1.00 0.00 H new ATOM 0 HG LEU A 14 -11.027 -5.048 -0.151 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -11.182 -2.992 -1.497 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -10.545 -2.668 0.133 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.441 -2.712 -1.262 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -10.752 -5.158 -2.598 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.994 -4.962 -2.405 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.802 -6.415 -1.771 1.00 0.00 H new ATOM 178 N THR A 15 -6.432 -6.737 1.389 1.00 0.00 N ATOM 179 CA THR A 15 -5.283 -6.833 2.281 1.00 0.00 C ATOM 180 C THR A 15 -3.975 -6.755 1.503 1.00 0.00 C ATOM 181 O THR A 15 -3.944 -6.990 0.295 1.00 0.00 O ATOM 182 CB THR A 15 -5.309 -8.143 3.090 1.00 0.00 C ATOM 183 OG1 THR A 15 -4.146 -8.227 3.922 1.00 0.00 O ATOM 184 CG2 THR A 15 -5.365 -9.349 2.166 1.00 0.00 C ATOM 0 H THR A 15 -6.228 -6.956 0.414 1.00 0.00 H new ATOM 0 HA THR A 15 -5.344 -5.989 2.968 1.00 0.00 H new ATOM 0 HB THR A 15 -6.203 -8.142 3.714 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.170 -9.062 4.435 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.383 -10.262 2.761 1.00 0.00 H new ATOM 0 HG22 THR A 15 -6.266 -9.297 1.554 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.487 -9.353 1.520 1.00 0.00 H new ATOM 192 N VAL A 16 -2.894 -6.423 2.203 1.00 0.00 N ATOM 193 CA VAL A 16 -1.581 -6.316 1.578 1.00 0.00 C ATOM 194 C VAL A 16 -0.531 -7.085 2.371 1.00 0.00 C ATOM 195 O VAL A 16 -0.547 -7.091 3.603 1.00 0.00 O ATOM 196 CB VAL A 16 -1.139 -4.846 1.450 1.00 0.00 C ATOM 197 CG1 VAL A 16 0.208 -4.753 0.750 1.00 0.00 C ATOM 198 CG2 VAL A 16 -2.192 -4.036 0.709 1.00 0.00 C ATOM 0 H VAL A 16 -2.902 -6.224 3.203 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.668 -6.749 0.582 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.031 -4.428 2.451 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.504 -3.707 0.668 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.956 -5.298 1.326 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.131 -5.187 -0.247 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.863 -3.000 0.628 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.335 -4.451 -0.289 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.134 -4.076 1.257 1.00 0.00 H new ATOM 208 N THR A 17 0.385 -7.733 1.657 1.00 0.00 N ATOM 209 CA THR A 17 1.444 -8.506 2.294 1.00 0.00 C ATOM 210 C THR A 17 2.813 -8.117 1.748 1.00 0.00 C ATOM 211 O THR A 17 3.676 -7.644 2.487 1.00 0.00 O ATOM 212 CB THR A 17 1.234 -10.018 2.093 1.00 0.00 C ATOM 213 OG1 THR A 17 -0.068 -10.398 2.551 1.00 0.00 O ATOM 214 CG2 THR A 17 2.292 -10.816 2.840 1.00 0.00 C ATOM 0 H THR A 17 0.414 -7.738 0.637 1.00 0.00 H new ATOM 0 HA THR A 17 1.403 -8.280 3.360 1.00 0.00 H new ATOM 0 HB THR A 17 1.322 -10.235 1.028 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.194 -11.361 2.418 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.123 -11.881 2.683 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.281 -10.547 2.468 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.232 -10.592 3.905 1.00 0.00 H new ATOM 222 N SER A 18 3.005 -8.318 0.448 1.00 0.00 N ATOM 223 CA SER A 18 4.271 -7.991 -0.197 1.00 0.00 C ATOM 224 C SER A 18 4.832 -6.678 0.341 1.00 0.00 C ATOM 225 O SER A 18 6.026 -6.570 0.625 1.00 0.00 O ATOM 226 CB SER A 18 4.086 -7.896 -1.713 1.00 0.00 C ATOM 227 OG SER A 18 4.277 -9.157 -2.330 1.00 0.00 O ATOM 0 H SER A 18 2.300 -8.706 -0.179 1.00 0.00 H new ATOM 0 HA SER A 18 4.980 -8.788 0.026 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.086 -7.525 -1.938 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.793 -7.176 -2.124 1.00 0.00 H new ATOM 0 HG SER A 18 4.152 -9.070 -3.298 1.00 0.00 H new ATOM 233 N LEU A 19 3.963 -5.683 0.480 1.00 0.00 N ATOM 234 CA LEU A 19 4.370 -4.377 0.984 1.00 0.00 C ATOM 235 C LEU A 19 5.200 -4.518 2.256 1.00 0.00 C ATOM 236 O LEU A 19 4.906 -5.353 3.111 1.00 0.00 O ATOM 237 CB LEU A 19 3.140 -3.509 1.259 1.00 0.00 C ATOM 238 CG LEU A 19 3.404 -2.171 1.952 1.00 0.00 C ATOM 239 CD1 LEU A 19 3.773 -1.105 0.932 1.00 0.00 C ATOM 240 CD2 LEU A 19 2.189 -1.740 2.760 1.00 0.00 C ATOM 0 H LEU A 19 2.972 -5.756 0.251 1.00 0.00 H new ATOM 0 HA LEU A 19 4.984 -3.897 0.222 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.640 -3.312 0.311 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.445 -4.082 1.873 1.00 0.00 H new ATOM 0 HG LEU A 19 4.244 -2.297 2.635 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.957 -0.160 1.443 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.673 -1.409 0.397 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.954 -0.980 0.224 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.395 -0.786 3.246 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.331 -1.631 2.097 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.970 -2.493 3.517 1.00 0.00 H new ATOM 252 N GLN A 20 6.238 -3.696 2.374 1.00 0.00 N ATOM 253 CA GLN A 20 7.110 -3.729 3.542 1.00 0.00 C ATOM 254 C GLN A 20 6.729 -2.638 4.537 1.00 0.00 C ATOM 255 O GLN A 20 7.119 -1.481 4.382 1.00 0.00 O ATOM 256 CB GLN A 20 8.571 -3.564 3.119 1.00 0.00 C ATOM 257 CG GLN A 20 9.562 -4.149 4.112 1.00 0.00 C ATOM 258 CD GLN A 20 10.980 -4.170 3.577 1.00 0.00 C ATOM 259 OE1 GLN A 20 11.403 -3.255 2.869 1.00 0.00 O ATOM 260 NE2 GLN A 20 11.724 -5.217 3.914 1.00 0.00 N ATOM 0 H GLN A 20 6.495 -2.999 1.675 1.00 0.00 H new ATOM 0 HA GLN A 20 6.988 -4.697 4.028 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.716 -4.041 2.150 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.785 -2.503 2.987 1.00 0.00 H new ATOM 0 HG2 GLN A 20 9.534 -3.567 5.033 1.00 0.00 H new ATOM 0 HG3 GLN A 20 9.259 -5.164 4.367 1.00 0.00 H new ATOM 0 HE21 GLN A 20 11.333 -5.952 4.503 1.00 0.00 H new ATOM 0 HE22 GLN A 20 12.687 -5.286 3.584 1.00 0.00 H new ATOM 269 N GLU A 21 5.965 -3.015 5.557 1.00 0.00 N ATOM 270 CA GLU A 21 5.531 -2.066 6.576 1.00 0.00 C ATOM 271 C GLU A 21 6.664 -1.117 6.954 1.00 0.00 C ATOM 272 O GLU A 21 6.478 0.099 7.012 1.00 0.00 O ATOM 273 CB GLU A 21 5.038 -2.810 7.820 1.00 0.00 C ATOM 274 CG GLU A 21 3.563 -3.169 7.769 1.00 0.00 C ATOM 275 CD GLU A 21 3.186 -4.234 8.781 1.00 0.00 C ATOM 276 OE1 GLU A 21 4.060 -5.053 9.133 1.00 0.00 O ATOM 277 OE2 GLU A 21 2.017 -4.246 9.221 1.00 0.00 O ATOM 0 H GLU A 21 5.634 -3.969 5.700 1.00 0.00 H new ATOM 0 HA GLU A 21 4.711 -1.479 6.163 1.00 0.00 H new ATOM 0 HB2 GLU A 21 5.621 -3.723 7.942 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.223 -2.193 8.699 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.969 -2.274 7.951 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.313 -3.520 6.768 1.00 0.00 H new ATOM 284 N THR A 22 7.840 -1.681 7.211 1.00 0.00 N ATOM 285 CA THR A 22 9.004 -0.887 7.585 1.00 0.00 C ATOM 286 C THR A 22 10.289 -1.511 7.054 1.00 0.00 C ATOM 287 O THR A 22 10.527 -2.706 7.222 1.00 0.00 O ATOM 288 CB THR A 22 9.114 -0.737 9.114 1.00 0.00 C ATOM 289 OG1 THR A 22 9.365 -2.012 9.715 1.00 0.00 O ATOM 290 CG2 THR A 22 7.839 -0.141 9.693 1.00 0.00 C ATOM 0 H THR A 22 8.012 -2.685 7.167 1.00 0.00 H new ATOM 0 HA THR A 22 8.870 0.099 7.139 1.00 0.00 H new ATOM 0 HB THR A 22 9.943 -0.063 9.331 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.435 -1.907 10.687 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.941 -0.045 10.774 1.00 0.00 H new ATOM 0 HG22 THR A 22 7.666 0.842 9.256 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.996 -0.793 9.464 1.00 0.00 H new ATOM 298 N GLY A 23 11.117 -0.692 6.411 1.00 0.00 N ATOM 299 CA GLY A 23 12.369 -1.182 5.864 1.00 0.00 C ATOM 300 C GLY A 23 12.660 -0.621 4.487 1.00 0.00 C ATOM 301 O GLY A 23 13.820 -0.469 4.102 1.00 0.00 O ATOM 0 H GLY A 23 10.943 0.302 6.259 1.00 0.00 H new ATOM 0 HA2 GLY A 23 13.184 -0.920 6.539 1.00 0.00 H new ATOM 0 HA3 GLY A 23 12.337 -2.270 5.810 1.00 0.00 H new ATOM 305 N LEU A 24 11.605 -0.312 3.741 1.00 0.00 N ATOM 306 CA LEU A 24 11.752 0.234 2.396 1.00 0.00 C ATOM 307 C LEU A 24 12.887 1.252 2.343 1.00 0.00 C ATOM 308 O LEU A 24 13.106 2.004 3.293 1.00 0.00 O ATOM 309 CB LEU A 24 10.445 0.888 1.944 1.00 0.00 C ATOM 310 CG LEU A 24 9.283 -0.063 1.657 1.00 0.00 C ATOM 311 CD1 LEU A 24 8.095 0.700 1.093 1.00 0.00 C ATOM 312 CD2 LEU A 24 9.718 -1.162 0.697 1.00 0.00 C ATOM 0 H LEU A 24 10.638 -0.430 4.045 1.00 0.00 H new ATOM 0 HA LEU A 24 11.993 -0.588 1.721 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.130 1.593 2.713 1.00 0.00 H new ATOM 0 HB3 LEU A 24 10.645 1.468 1.043 1.00 0.00 H new ATOM 0 HG LEU A 24 8.978 -0.527 2.595 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.278 0.006 0.895 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.768 1.449 1.814 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.386 1.192 0.165 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.878 -1.830 0.504 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.050 -0.716 -0.240 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.538 -1.728 1.139 1.00 0.00 H new ATOM 324 N LYS A 25 13.606 1.271 1.226 1.00 0.00 N ATOM 325 CA LYS A 25 14.717 2.198 1.046 1.00 0.00 C ATOM 326 C LYS A 25 14.235 3.514 0.444 1.00 0.00 C ATOM 327 O LYS A 25 13.105 3.613 -0.034 1.00 0.00 O ATOM 328 CB LYS A 25 15.787 1.575 0.147 1.00 0.00 C ATOM 329 CG LYS A 25 16.805 0.739 0.904 1.00 0.00 C ATOM 330 CD LYS A 25 17.648 -0.102 -0.040 1.00 0.00 C ATOM 331 CE LYS A 25 16.935 -1.387 -0.430 1.00 0.00 C ATOM 332 NZ LYS A 25 15.930 -1.159 -1.506 1.00 0.00 N ATOM 0 H LYS A 25 13.439 0.654 0.431 1.00 0.00 H new ATOM 0 HA LYS A 25 15.149 2.403 2.025 1.00 0.00 H new ATOM 0 HB2 LYS A 25 15.301 0.950 -0.603 1.00 0.00 H new ATOM 0 HB3 LYS A 25 16.307 2.369 -0.389 1.00 0.00 H new ATOM 0 HG2 LYS A 25 17.453 1.393 1.487 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.290 0.088 1.611 1.00 0.00 H new ATOM 0 HD2 LYS A 25 17.877 0.475 -0.936 1.00 0.00 H new ATOM 0 HD3 LYS A 25 18.599 -0.342 0.436 1.00 0.00 H new ATOM 0 HE2 LYS A 25 17.667 -2.121 -0.767 1.00 0.00 H new ATOM 0 HE3 LYS A 25 16.441 -1.808 0.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 15.889 -1.994 -2.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 14.995 -0.998 -1.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 16.203 -0.326 -2.066 1.00 0.00 H new ATOM 346 N VAL A 26 15.101 4.523 0.468 1.00 0.00 N ATOM 347 CA VAL A 26 14.765 5.832 -0.078 1.00 0.00 C ATOM 348 C VAL A 26 15.114 5.916 -1.559 1.00 0.00 C ATOM 349 O VAL A 26 16.039 5.254 -2.027 1.00 0.00 O ATOM 350 CB VAL A 26 15.496 6.959 0.676 1.00 0.00 C ATOM 351 CG1 VAL A 26 14.947 8.318 0.269 1.00 0.00 C ATOM 352 CG2 VAL A 26 15.380 6.757 2.179 1.00 0.00 C ATOM 0 H VAL A 26 16.040 4.458 0.860 1.00 0.00 H new ATOM 0 HA VAL A 26 13.690 5.960 0.046 1.00 0.00 H new ATOM 0 HB VAL A 26 16.552 6.925 0.408 1.00 0.00 H new ATOM 0 HG11 VAL A 26 15.476 9.101 0.812 1.00 0.00 H new ATOM 0 HG12 VAL A 26 15.087 8.461 -0.802 1.00 0.00 H new ATOM 0 HG13 VAL A 26 13.884 8.367 0.505 1.00 0.00 H new ATOM 0 HG21 VAL A 26 15.902 7.562 2.696 1.00 0.00 H new ATOM 0 HG22 VAL A 26 14.329 6.763 2.467 1.00 0.00 H new ATOM 0 HG23 VAL A 26 15.826 5.801 2.453 1.00 0.00 H new ATOM 362 N ASN A 27 14.368 6.736 -2.292 1.00 0.00 N ATOM 363 CA ASN A 27 14.599 6.907 -3.722 1.00 0.00 C ATOM 364 C ASN A 27 14.676 5.556 -4.426 1.00 0.00 C ATOM 365 O ASN A 27 15.365 5.410 -5.435 1.00 0.00 O ATOM 366 CB ASN A 27 15.890 7.693 -3.960 1.00 0.00 C ATOM 367 CG ASN A 27 17.130 6.871 -3.669 1.00 0.00 C ATOM 368 OD1 ASN A 27 17.741 7.110 -2.514 1.00 0.00 O flip ATOM 369 ND2 ASN A 27 17.534 6.030 -4.473 1.00 0.00 N flip ATOM 0 H ASN A 27 13.599 7.292 -1.920 1.00 0.00 H new ATOM 0 HA ASN A 27 13.759 7.465 -4.136 1.00 0.00 H new ATOM 0 HB2 ASN A 27 15.919 8.034 -4.995 1.00 0.00 H new ATOM 0 HB3 ASN A 27 15.891 8.583 -3.331 1.00 0.00 H new ATOM 0 HD21 ASN A 27 17.033 5.880 -5.349 1.00 0.00 H new ATOM 0 HD22 ASN A 27 18.370 5.484 -4.263 1.00 0.00 H new ATOM 376 N GLN A 28 13.964 4.572 -3.886 1.00 0.00 N ATOM 377 CA GLN A 28 13.952 3.233 -4.463 1.00 0.00 C ATOM 378 C GLN A 28 12.549 2.853 -4.926 1.00 0.00 C ATOM 379 O GLN A 28 11.549 3.163 -4.278 1.00 0.00 O ATOM 380 CB GLN A 28 14.460 2.211 -3.444 1.00 0.00 C ATOM 381 CG GLN A 28 15.958 2.290 -3.198 1.00 0.00 C ATOM 382 CD GLN A 28 16.768 1.706 -4.339 1.00 0.00 C ATOM 383 OE1 GLN A 28 16.363 1.770 -5.500 1.00 0.00 O ATOM 384 NE2 GLN A 28 17.920 1.132 -4.013 1.00 0.00 N ATOM 0 H GLN A 28 13.388 4.677 -3.050 1.00 0.00 H new ATOM 0 HA GLN A 28 14.614 3.232 -5.329 1.00 0.00 H new ATOM 0 HB2 GLN A 28 13.937 2.361 -2.500 1.00 0.00 H new ATOM 0 HB3 GLN A 28 14.210 1.209 -3.791 1.00 0.00 H new ATOM 0 HG2 GLN A 28 16.244 3.331 -3.050 1.00 0.00 H new ATOM 0 HG3 GLN A 28 16.200 1.759 -2.277 1.00 0.00 H new ATOM 0 HE21 GLN A 28 18.217 1.102 -3.038 1.00 0.00 H new ATOM 0 HE22 GLN A 28 18.508 0.721 -4.738 1.00 0.00 H new ATOM 393 N PRO A 29 12.471 2.165 -6.075 1.00 0.00 N ATOM 394 CA PRO A 29 11.196 1.727 -6.651 1.00 0.00 C ATOM 395 C PRO A 29 10.539 0.622 -5.831 1.00 0.00 C ATOM 396 O PRO A 29 10.780 -0.562 -6.063 1.00 0.00 O ATOM 397 CB PRO A 29 11.593 1.204 -8.034 1.00 0.00 C ATOM 398 CG PRO A 29 13.021 0.805 -7.893 1.00 0.00 C ATOM 399 CD PRO A 29 13.622 1.761 -6.901 1.00 0.00 C ATOM 0 HA PRO A 29 10.463 2.533 -6.680 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.973 0.358 -8.330 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.470 1.972 -8.798 1.00 0.00 H new ATOM 0 HG2 PRO A 29 13.106 -0.224 -7.544 1.00 0.00 H new ATOM 0 HG3 PRO A 29 13.538 0.860 -8.851 1.00 0.00 H new ATOM 0 HD2 PRO A 29 14.398 1.284 -6.303 1.00 0.00 H new ATOM 0 HD3 PRO A 29 14.082 2.617 -7.395 1.00 0.00 H new ATOM 407 N ALA A 30 9.708 1.018 -4.873 1.00 0.00 N ATOM 408 CA ALA A 30 9.014 0.060 -4.020 1.00 0.00 C ATOM 409 C ALA A 30 7.611 -0.226 -4.545 1.00 0.00 C ATOM 410 O ALA A 30 6.789 0.681 -4.673 1.00 0.00 O ATOM 411 CB ALA A 30 8.950 0.576 -2.590 1.00 0.00 C ATOM 0 H ALA A 30 9.499 1.995 -4.668 1.00 0.00 H new ATOM 0 HA ALA A 30 9.576 -0.874 -4.032 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.429 -0.149 -1.965 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.961 0.723 -2.211 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.413 1.525 -2.569 1.00 0.00 H new ATOM 417 N SER A 31 7.344 -1.492 -4.848 1.00 0.00 N ATOM 418 CA SER A 31 6.042 -1.897 -5.364 1.00 0.00 C ATOM 419 C SER A 31 5.513 -3.113 -4.610 1.00 0.00 C ATOM 420 O SER A 31 6.285 -3.916 -4.084 1.00 0.00 O ATOM 421 CB SER A 31 6.136 -2.210 -6.858 1.00 0.00 C ATOM 422 OG SER A 31 6.834 -3.422 -7.082 1.00 0.00 O ATOM 0 H SER A 31 8.013 -2.255 -4.745 1.00 0.00 H new ATOM 0 HA SER A 31 5.348 -1.070 -5.217 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.134 -2.280 -7.282 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.643 -1.394 -7.372 1.00 0.00 H new ATOM 0 HG SER A 31 6.879 -3.601 -8.045 1.00 0.00 H new ATOM 428 N PHE A 32 4.192 -3.243 -4.562 1.00 0.00 N ATOM 429 CA PHE A 32 3.558 -4.361 -3.872 1.00 0.00 C ATOM 430 C PHE A 32 2.239 -4.736 -4.541 1.00 0.00 C ATOM 431 O PHE A 32 1.833 -4.119 -5.525 1.00 0.00 O ATOM 432 CB PHE A 32 3.315 -4.009 -2.403 1.00 0.00 C ATOM 433 CG PHE A 32 2.893 -2.584 -2.189 1.00 0.00 C ATOM 434 CD1 PHE A 32 3.768 -1.542 -2.453 1.00 0.00 C ATOM 435 CD2 PHE A 32 1.622 -2.285 -1.725 1.00 0.00 C ATOM 436 CE1 PHE A 32 3.382 -0.229 -2.257 1.00 0.00 C ATOM 437 CE2 PHE A 32 1.231 -0.974 -1.527 1.00 0.00 C ATOM 438 CZ PHE A 32 2.112 0.055 -1.795 1.00 0.00 C ATOM 0 H PHE A 32 3.539 -2.588 -4.993 1.00 0.00 H new ATOM 0 HA PHE A 32 4.230 -5.218 -3.928 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.548 -4.671 -2.001 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.227 -4.198 -1.837 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.762 -1.758 -2.816 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.928 -3.086 -1.516 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.073 0.574 -2.465 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.238 -0.755 -1.163 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.808 1.080 -1.644 1.00 0.00 H new ATOM 448 N ALA A 33 1.576 -5.753 -4.000 1.00 0.00 N ATOM 449 CA ALA A 33 0.303 -6.210 -4.543 1.00 0.00 C ATOM 450 C ALA A 33 -0.786 -6.197 -3.475 1.00 0.00 C ATOM 451 O ALA A 33 -0.542 -6.548 -2.321 1.00 0.00 O ATOM 452 CB ALA A 33 0.451 -7.605 -5.131 1.00 0.00 C ATOM 0 H ALA A 33 1.900 -6.276 -3.186 1.00 0.00 H new ATOM 0 HA ALA A 33 0.006 -5.523 -5.335 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.507 -7.934 -5.533 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.192 -7.586 -5.930 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.774 -8.296 -4.352 1.00 0.00 H new ATOM 458 N VAL A 34 -1.988 -5.788 -3.868 1.00 0.00 N ATOM 459 CA VAL A 34 -3.115 -5.729 -2.944 1.00 0.00 C ATOM 460 C VAL A 34 -4.191 -6.740 -3.325 1.00 0.00 C ATOM 461 O VAL A 34 -4.966 -6.514 -4.254 1.00 0.00 O ATOM 462 CB VAL A 34 -3.738 -4.321 -2.908 1.00 0.00 C ATOM 463 CG1 VAL A 34 -4.926 -4.287 -1.959 1.00 0.00 C ATOM 464 CG2 VAL A 34 -2.696 -3.288 -2.508 1.00 0.00 C ATOM 0 H VAL A 34 -2.207 -5.493 -4.820 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.727 -5.971 -1.955 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.095 -4.075 -3.908 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.353 -3.284 -1.947 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.680 -4.999 -2.295 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.597 -4.554 -0.955 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.153 -2.299 -2.488 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.307 -3.528 -1.519 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.880 -3.296 -3.231 1.00 0.00 H new ATOM 474 N GLN A 35 -4.232 -7.854 -2.601 1.00 0.00 N ATOM 475 CA GLN A 35 -5.214 -8.899 -2.863 1.00 0.00 C ATOM 476 C GLN A 35 -6.616 -8.438 -2.479 1.00 0.00 C ATOM 477 O GLN A 35 -6.798 -7.725 -1.492 1.00 0.00 O ATOM 478 CB GLN A 35 -4.853 -10.171 -2.094 1.00 0.00 C ATOM 479 CG GLN A 35 -5.598 -11.406 -2.576 1.00 0.00 C ATOM 480 CD GLN A 35 -4.862 -12.692 -2.258 1.00 0.00 C ATOM 481 OE1 GLN A 35 -4.729 -13.073 -1.094 1.00 0.00 O ATOM 482 NE2 GLN A 35 -4.380 -13.371 -3.292 1.00 0.00 N ATOM 0 H GLN A 35 -3.597 -8.056 -1.829 1.00 0.00 H new ATOM 0 HA GLN A 35 -5.203 -9.114 -3.932 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -3.781 -10.347 -2.182 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -5.066 -10.019 -1.036 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -6.585 -11.433 -2.115 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -5.751 -11.336 -3.653 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -4.513 -13.019 -4.240 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.877 -14.245 -3.138 1.00 0.00 H new ATOM 491 N LEU A 36 -7.604 -8.850 -3.266 1.00 0.00 N ATOM 492 CA LEU A 36 -8.992 -8.479 -3.008 1.00 0.00 C ATOM 493 C LEU A 36 -9.652 -9.470 -2.055 1.00 0.00 C ATOM 494 O LEU A 36 -10.408 -9.081 -1.165 1.00 0.00 O ATOM 495 CB LEU A 36 -9.775 -8.416 -4.320 1.00 0.00 C ATOM 496 CG LEU A 36 -9.067 -7.738 -5.494 1.00 0.00 C ATOM 497 CD1 LEU A 36 -9.835 -7.967 -6.786 1.00 0.00 C ATOM 498 CD2 LEU A 36 -8.900 -6.249 -5.227 1.00 0.00 C ATOM 0 H LEU A 36 -7.471 -9.440 -4.087 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.999 -7.494 -2.540 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.032 -9.433 -4.615 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.712 -7.891 -4.135 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.077 -8.181 -5.602 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.316 -7.477 -7.610 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.902 -9.037 -6.985 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.838 -7.552 -6.691 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.394 -5.782 -6.072 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.880 -5.791 -5.092 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.306 -6.106 -4.325 1.00 0.00 H new ATOM 510 N ASN A 37 -9.360 -10.752 -2.246 1.00 0.00 N ATOM 511 CA ASN A 37 -9.924 -11.799 -1.402 1.00 0.00 C ATOM 512 C ASN A 37 -11.445 -11.837 -1.526 1.00 0.00 C ATOM 513 O ASN A 37 -12.149 -12.141 -0.564 1.00 0.00 O ATOM 514 CB ASN A 37 -9.526 -11.576 0.058 1.00 0.00 C ATOM 515 CG ASN A 37 -8.027 -11.678 0.270 1.00 0.00 C ATOM 516 OD1 ASN A 37 -7.330 -10.559 0.111 1.00 0.00 O flip ATOM 517 ND2 ASN A 37 -7.503 -12.749 0.574 1.00 0.00 N flip ATOM 0 H ASN A 37 -8.736 -11.091 -2.978 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.525 -12.756 -1.738 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.870 -10.593 0.380 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.030 -12.311 0.686 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.078 -13.584 0.686 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.494 -12.801 0.714 1.00 0.00 H new ATOM 524 N GLY A 38 -11.944 -11.526 -2.718 1.00 0.00 N ATOM 525 CA GLY A 38 -13.377 -11.530 -2.946 1.00 0.00 C ATOM 526 C GLY A 38 -13.894 -10.186 -3.418 1.00 0.00 C ATOM 527 O GLY A 38 -14.825 -10.118 -4.219 1.00 0.00 O ATOM 0 H GLY A 38 -11.382 -11.271 -3.530 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -13.621 -12.290 -3.688 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -13.887 -11.808 -2.024 1.00 0.00 H new ATOM 531 N ALA A 39 -13.288 -9.113 -2.920 1.00 0.00 N ATOM 532 CA ALA A 39 -13.692 -7.764 -3.296 1.00 0.00 C ATOM 533 C ALA A 39 -13.605 -7.565 -4.805 1.00 0.00 C ATOM 534 O ALA A 39 -12.696 -8.079 -5.457 1.00 0.00 O ATOM 535 CB ALA A 39 -12.833 -6.735 -2.576 1.00 0.00 C ATOM 0 H ALA A 39 -12.515 -9.152 -2.255 1.00 0.00 H new ATOM 0 HA ALA A 39 -14.731 -7.627 -2.997 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -13.146 -5.732 -2.867 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -12.949 -6.854 -1.499 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.787 -6.881 -2.846 1.00 0.00 H new ATOM 541 N ARG A 40 -14.557 -6.819 -5.355 1.00 0.00 N ATOM 542 CA ARG A 40 -14.589 -6.555 -6.789 1.00 0.00 C ATOM 543 C ARG A 40 -14.806 -5.069 -7.063 1.00 0.00 C ATOM 544 O ARG A 40 -15.922 -4.564 -6.951 1.00 0.00 O ATOM 545 CB ARG A 40 -15.695 -7.375 -7.456 1.00 0.00 C ATOM 546 CG ARG A 40 -15.530 -8.875 -7.280 1.00 0.00 C ATOM 547 CD ARG A 40 -14.455 -9.429 -8.202 1.00 0.00 C ATOM 548 NE ARG A 40 -13.982 -10.740 -7.765 1.00 0.00 N ATOM 549 CZ ARG A 40 -13.214 -11.529 -8.509 1.00 0.00 C ATOM 550 NH1 ARG A 40 -12.836 -11.143 -9.719 1.00 0.00 N ATOM 551 NH2 ARG A 40 -12.824 -12.708 -8.041 1.00 0.00 N ATOM 0 H ARG A 40 -15.317 -6.386 -4.830 1.00 0.00 H new ATOM 0 HA ARG A 40 -13.627 -6.848 -7.209 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -16.658 -7.073 -7.045 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -15.716 -7.143 -8.521 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -15.271 -9.095 -6.244 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -16.478 -9.373 -7.484 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -14.850 -9.505 -9.215 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -13.616 -8.734 -8.239 1.00 0.00 H new ATOM 0 HE ARG A 40 -14.256 -11.068 -6.839 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -13.135 -10.238 -10.082 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.246 -11.751 -10.287 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.114 -13.008 -7.110 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -12.235 -13.314 -8.612 1.00 0.00 H new ATOM 565 N GLY A 41 -13.730 -4.376 -7.423 1.00 0.00 N ATOM 566 CA GLY A 41 -13.824 -2.956 -7.707 1.00 0.00 C ATOM 567 C GLY A 41 -12.508 -2.370 -8.178 1.00 0.00 C ATOM 568 O GLY A 41 -11.761 -3.016 -8.913 1.00 0.00 O ATOM 0 H GLY A 41 -12.795 -4.772 -7.523 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -14.585 -2.791 -8.470 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -14.152 -2.430 -6.810 1.00 0.00 H new ATOM 572 N VAL A 42 -12.223 -1.142 -7.757 1.00 0.00 N ATOM 573 CA VAL A 42 -10.988 -0.469 -8.141 1.00 0.00 C ATOM 574 C VAL A 42 -10.223 0.017 -6.916 1.00 0.00 C ATOM 575 O VAL A 42 -10.794 0.646 -6.024 1.00 0.00 O ATOM 576 CB VAL A 42 -11.267 0.729 -9.068 1.00 0.00 C ATOM 577 CG1 VAL A 42 -9.965 1.303 -9.606 1.00 0.00 C ATOM 578 CG2 VAL A 42 -12.189 0.319 -10.206 1.00 0.00 C ATOM 0 H VAL A 42 -12.831 -0.593 -7.150 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.382 -1.200 -8.677 1.00 0.00 H new ATOM 0 HB VAL A 42 -11.766 1.506 -8.488 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -10.182 2.148 -10.259 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -9.344 1.637 -8.775 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.435 0.536 -10.170 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -12.375 1.178 -10.851 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -11.720 -0.475 -10.786 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -13.134 -0.040 -9.798 1.00 0.00 H new ATOM 588 N ILE A 43 -8.928 -0.277 -6.879 1.00 0.00 N ATOM 589 CA ILE A 43 -8.084 0.131 -5.763 1.00 0.00 C ATOM 590 C ILE A 43 -7.353 1.433 -6.074 1.00 0.00 C ATOM 591 O ILE A 43 -6.597 1.516 -7.042 1.00 0.00 O ATOM 592 CB ILE A 43 -7.048 -0.954 -5.413 1.00 0.00 C ATOM 593 CG1 ILE A 43 -7.752 -2.267 -5.064 1.00 0.00 C ATOM 594 CG2 ILE A 43 -6.169 -0.495 -4.259 1.00 0.00 C ATOM 595 CD1 ILE A 43 -8.204 -2.346 -3.623 1.00 0.00 C ATOM 0 H ILE A 43 -8.440 -0.796 -7.609 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.743 0.281 -4.908 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.413 -1.123 -6.282 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -8.618 -2.390 -5.715 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.077 -3.098 -5.271 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -5.442 -1.273 -4.024 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.645 0.418 -4.542 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -6.789 -0.301 -3.384 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.695 -3.303 -3.448 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.340 -2.255 -2.965 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.904 -1.536 -3.416 1.00 0.00 H new ATOM 607 N ASP A 44 -7.583 2.447 -5.247 1.00 0.00 N ATOM 608 CA ASP A 44 -6.945 3.745 -5.431 1.00 0.00 C ATOM 609 C ASP A 44 -5.926 4.011 -4.328 1.00 0.00 C ATOM 610 O ASP A 44 -6.275 4.078 -3.150 1.00 0.00 O ATOM 611 CB ASP A 44 -7.996 4.856 -5.451 1.00 0.00 C ATOM 612 CG ASP A 44 -8.525 5.127 -6.845 1.00 0.00 C ATOM 613 OD1 ASP A 44 -8.887 4.156 -7.543 1.00 0.00 O ATOM 614 OD2 ASP A 44 -8.578 6.311 -7.239 1.00 0.00 O ATOM 0 H ASP A 44 -8.207 2.395 -4.442 1.00 0.00 H new ATOM 0 HA ASP A 44 -6.423 3.733 -6.388 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -8.824 4.580 -4.798 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.562 5.770 -5.046 1.00 0.00 H new ATOM 619 N ALA A 45 -4.664 4.161 -4.718 1.00 0.00 N ATOM 620 CA ALA A 45 -3.595 4.421 -3.762 1.00 0.00 C ATOM 621 C ALA A 45 -3.067 5.844 -3.903 1.00 0.00 C ATOM 622 O ALA A 45 -2.922 6.356 -5.013 1.00 0.00 O ATOM 623 CB ALA A 45 -2.466 3.417 -3.947 1.00 0.00 C ATOM 0 H ALA A 45 -4.357 4.107 -5.689 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.004 4.311 -2.758 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.674 3.623 -3.227 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.847 2.408 -3.789 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.067 3.500 -4.958 1.00 0.00 H new ATOM 629 N ARG A 46 -2.782 6.479 -2.771 1.00 0.00 N ATOM 630 CA ARG A 46 -2.272 7.845 -2.768 1.00 0.00 C ATOM 631 C ARG A 46 -1.290 8.057 -1.619 1.00 0.00 C ATOM 632 O ARG A 46 -1.625 7.841 -0.455 1.00 0.00 O ATOM 633 CB ARG A 46 -3.426 8.843 -2.657 1.00 0.00 C ATOM 634 CG ARG A 46 -4.122 9.119 -3.979 1.00 0.00 C ATOM 635 CD ARG A 46 -3.420 10.219 -4.760 1.00 0.00 C ATOM 636 NE ARG A 46 -4.216 10.678 -5.895 1.00 0.00 N ATOM 637 CZ ARG A 46 -4.294 10.025 -7.049 1.00 0.00 C ATOM 638 NH1 ARG A 46 -3.629 8.891 -7.219 1.00 0.00 N ATOM 639 NH2 ARG A 46 -5.039 10.507 -8.036 1.00 0.00 N ATOM 0 H ARG A 46 -2.896 6.069 -1.844 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.746 8.011 -3.708 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.157 8.462 -1.944 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.046 9.781 -2.253 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.147 8.207 -4.576 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.157 9.407 -3.793 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.215 11.060 -4.097 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -2.457 9.852 -5.117 1.00 0.00 H new ATOM 0 HE ARG A 46 -4.741 11.547 -5.796 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -3.056 8.518 -6.463 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -3.691 8.392 -8.106 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.552 11.379 -7.909 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -5.098 10.005 -8.922 1.00 0.00 H new ATOM 653 N VAL A 47 -0.075 8.480 -1.956 1.00 0.00 N ATOM 654 CA VAL A 47 0.955 8.721 -0.953 1.00 0.00 C ATOM 655 C VAL A 47 1.017 10.196 -0.573 1.00 0.00 C ATOM 656 O VAL A 47 0.831 11.074 -1.416 1.00 0.00 O ATOM 657 CB VAL A 47 2.341 8.273 -1.454 1.00 0.00 C ATOM 658 CG1 VAL A 47 2.394 6.759 -1.596 1.00 0.00 C ATOM 659 CG2 VAL A 47 2.676 8.952 -2.773 1.00 0.00 C ATOM 0 H VAL A 47 0.219 8.663 -2.915 1.00 0.00 H new ATOM 0 HA VAL A 47 0.686 8.133 -0.075 1.00 0.00 H new ATOM 0 HB VAL A 47 3.088 8.571 -0.718 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.381 6.461 -1.951 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.201 6.296 -0.628 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.638 6.434 -2.311 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.659 8.624 -3.112 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.927 8.686 -3.519 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.683 10.033 -2.634 1.00 0.00 H new ATOM 669 N HIS A 48 1.280 10.462 0.703 1.00 0.00 N ATOM 670 CA HIS A 48 1.368 11.832 1.196 1.00 0.00 C ATOM 671 C HIS A 48 2.767 12.130 1.725 1.00 0.00 C ATOM 672 O HIS A 48 3.183 11.590 2.751 1.00 0.00 O ATOM 673 CB HIS A 48 0.333 12.067 2.297 1.00 0.00 C ATOM 674 CG HIS A 48 -1.082 12.016 1.809 1.00 0.00 C ATOM 675 ND1 HIS A 48 -1.898 13.127 1.748 1.00 0.00 N ATOM 676 CD2 HIS A 48 -1.826 10.980 1.355 1.00 0.00 C ATOM 677 CE1 HIS A 48 -3.082 12.775 1.280 1.00 0.00 C ATOM 678 NE2 HIS A 48 -3.064 11.478 1.033 1.00 0.00 N ATOM 0 H HIS A 48 1.436 9.747 1.414 1.00 0.00 H new ATOM 0 HA HIS A 48 1.162 12.506 0.364 1.00 0.00 H new ATOM 0 HB2 HIS A 48 0.467 11.317 3.077 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.516 13.039 2.755 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -1.505 9.953 1.263 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.922 13.436 1.126 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -3.844 10.934 0.663 1.00 0.00 H new ATOM 687 N THR A 49 3.491 12.993 1.019 1.00 0.00 N ATOM 688 CA THR A 49 4.844 13.362 1.416 1.00 0.00 C ATOM 689 C THR A 49 4.837 14.166 2.711 1.00 0.00 C ATOM 690 O THR A 49 3.898 14.907 3.004 1.00 0.00 O ATOM 691 CB THR A 49 5.547 14.182 0.318 1.00 0.00 C ATOM 692 OG1 THR A 49 4.715 15.275 -0.086 1.00 0.00 O ATOM 693 CG2 THR A 49 5.870 13.311 -0.886 1.00 0.00 C ATOM 0 H THR A 49 3.162 13.450 0.168 1.00 0.00 H new ATOM 0 HA THR A 49 5.393 12.433 1.572 1.00 0.00 H new ATOM 0 HB THR A 49 6.481 14.569 0.726 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.981 14.939 -0.642 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.366 13.913 -1.648 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.528 12.498 -0.581 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.948 12.898 -1.294 1.00 0.00 H new ATOM 701 N PRO A 50 5.908 14.020 3.505 1.00 0.00 N ATOM 702 CA PRO A 50 6.049 14.726 4.781 1.00 0.00 C ATOM 703 C PRO A 50 6.270 16.223 4.594 1.00 0.00 C ATOM 704 O PRO A 50 6.340 16.976 5.565 1.00 0.00 O ATOM 705 CB PRO A 50 7.284 14.078 5.411 1.00 0.00 C ATOM 706 CG PRO A 50 8.071 13.562 4.256 1.00 0.00 C ATOM 707 CD PRO A 50 7.063 13.153 3.217 1.00 0.00 C ATOM 0 HA PRO A 50 5.150 14.646 5.392 1.00 0.00 H new ATOM 0 HB2 PRO A 50 7.858 14.801 5.990 1.00 0.00 H new ATOM 0 HB3 PRO A 50 7.005 13.273 6.091 1.00 0.00 H new ATOM 0 HG2 PRO A 50 8.742 14.328 3.868 1.00 0.00 H new ATOM 0 HG3 PRO A 50 8.691 12.716 4.553 1.00 0.00 H new ATOM 0 HD2 PRO A 50 7.441 13.309 2.207 1.00 0.00 H new ATOM 0 HD3 PRO A 50 6.804 12.097 3.301 1.00 0.00 H new ATOM 715 N SER A 51 6.380 16.648 3.339 1.00 0.00 N ATOM 716 CA SER A 51 6.597 18.055 3.025 1.00 0.00 C ATOM 717 C SER A 51 5.271 18.806 2.951 1.00 0.00 C ATOM 718 O SER A 51 5.082 19.822 3.618 1.00 0.00 O ATOM 719 CB SER A 51 7.349 18.194 1.700 1.00 0.00 C ATOM 720 OG SER A 51 7.997 19.451 1.610 1.00 0.00 O ATOM 0 H SER A 51 6.322 16.038 2.524 1.00 0.00 H new ATOM 0 HA SER A 51 7.198 18.491 3.823 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.085 17.395 1.611 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.652 18.080 0.869 1.00 0.00 H new ATOM 0 HG SER A 51 8.472 19.514 0.755 1.00 0.00 H new ATOM 726 N GLY A 52 4.354 18.296 2.133 1.00 0.00 N ATOM 727 CA GLY A 52 3.057 18.931 1.986 1.00 0.00 C ATOM 728 C GLY A 52 2.539 18.868 0.563 1.00 0.00 C ATOM 729 O GLY A 52 1.848 19.778 0.106 1.00 0.00 O ATOM 0 H GLY A 52 4.486 17.456 1.570 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.342 18.448 2.652 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.129 19.973 2.298 1.00 0.00 H new ATOM 733 N ALA A 53 2.876 17.792 -0.141 1.00 0.00 N ATOM 734 CA ALA A 53 2.440 17.614 -1.521 1.00 0.00 C ATOM 735 C ALA A 53 1.770 16.258 -1.714 1.00 0.00 C ATOM 736 O ALA A 53 2.319 15.223 -1.337 1.00 0.00 O ATOM 737 CB ALA A 53 3.620 17.762 -2.470 1.00 0.00 C ATOM 0 H ALA A 53 3.450 17.030 0.222 1.00 0.00 H new ATOM 0 HA ALA A 53 1.706 18.388 -1.747 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.280 17.627 -3.497 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.054 18.756 -2.359 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.373 17.010 -2.235 1.00 0.00 H new ATOM 743 N VAL A 54 0.579 16.271 -2.305 1.00 0.00 N ATOM 744 CA VAL A 54 -0.166 15.042 -2.549 1.00 0.00 C ATOM 745 C VAL A 54 0.317 14.348 -3.817 1.00 0.00 C ATOM 746 O VAL A 54 0.007 14.778 -4.928 1.00 0.00 O ATOM 747 CB VAL A 54 -1.677 15.317 -2.671 1.00 0.00 C ATOM 748 CG1 VAL A 54 -2.431 14.031 -2.974 1.00 0.00 C ATOM 749 CG2 VAL A 54 -2.204 15.967 -1.401 1.00 0.00 C ATOM 0 H VAL A 54 0.110 17.119 -2.623 1.00 0.00 H new ATOM 0 HA VAL A 54 0.010 14.390 -1.693 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.837 16.008 -3.499 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.497 14.245 -3.057 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.071 13.611 -3.913 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.266 13.314 -2.169 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.273 16.154 -1.505 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.032 15.303 -0.554 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.685 16.911 -1.233 1.00 0.00 H new ATOM 759 N GLU A 55 1.079 13.273 -3.644 1.00 0.00 N ATOM 760 CA GLU A 55 1.606 12.520 -4.776 1.00 0.00 C ATOM 761 C GLU A 55 0.599 11.476 -5.251 1.00 0.00 C ATOM 762 O GLU A 55 -0.374 11.178 -4.559 1.00 0.00 O ATOM 763 CB GLU A 55 2.922 11.839 -4.396 1.00 0.00 C ATOM 764 CG GLU A 55 4.149 12.696 -4.659 1.00 0.00 C ATOM 765 CD GLU A 55 3.935 14.151 -4.291 1.00 0.00 C ATOM 766 OE1 GLU A 55 3.795 14.444 -3.085 1.00 0.00 O ATOM 767 OE2 GLU A 55 3.907 14.997 -5.209 1.00 0.00 O ATOM 0 H GLU A 55 1.345 12.904 -2.731 1.00 0.00 H new ATOM 0 HA GLU A 55 1.790 13.220 -5.591 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.893 11.576 -3.339 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.014 10.907 -4.954 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.991 12.302 -4.091 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.416 12.627 -5.714 1.00 0.00 H new ATOM 774 N GLU A 56 0.842 10.926 -6.437 1.00 0.00 N ATOM 775 CA GLU A 56 -0.045 9.916 -7.005 1.00 0.00 C ATOM 776 C GLU A 56 0.677 8.580 -7.151 1.00 0.00 C ATOM 777 O GLU A 56 1.869 8.536 -7.458 1.00 0.00 O ATOM 778 CB GLU A 56 -0.571 10.376 -8.366 1.00 0.00 C ATOM 779 CG GLU A 56 0.467 10.313 -9.473 1.00 0.00 C ATOM 780 CD GLU A 56 0.475 8.977 -10.190 1.00 0.00 C ATOM 781 OE1 GLU A 56 -0.615 8.506 -10.577 1.00 0.00 O ATOM 782 OE2 GLU A 56 1.570 8.402 -10.364 1.00 0.00 O ATOM 0 H GLU A 56 1.644 11.162 -7.022 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.886 9.782 -6.325 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.424 9.757 -8.644 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.935 11.400 -8.278 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.272 11.107 -10.194 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.454 10.501 -9.051 1.00 0.00 H new ATOM 789 N CYS A 57 -0.054 7.493 -6.929 1.00 0.00 N ATOM 790 CA CYS A 57 0.515 6.154 -7.035 1.00 0.00 C ATOM 791 C CYS A 57 0.395 5.623 -8.460 1.00 0.00 C ATOM 792 O CYS A 57 -0.356 6.162 -9.273 1.00 0.00 O ATOM 793 CB CYS A 57 -0.183 5.202 -6.062 1.00 0.00 C ATOM 794 SG CYS A 57 -1.703 4.469 -6.710 1.00 0.00 S ATOM 0 H CYS A 57 -1.042 7.513 -6.675 1.00 0.00 H new ATOM 0 HA CYS A 57 1.572 6.214 -6.777 1.00 0.00 H new ATOM 0 HB2 CYS A 57 0.508 4.403 -5.794 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -0.415 5.743 -5.145 1.00 0.00 H new ATOM 0 HG CYS A 57 -2.727 5.152 -6.291 1.00 0.00 H new ATOM 800 N TYR A 58 1.140 4.564 -8.755 1.00 0.00 N ATOM 801 CA TYR A 58 1.121 3.962 -10.083 1.00 0.00 C ATOM 802 C TYR A 58 0.351 2.645 -10.073 1.00 0.00 C ATOM 803 O TYR A 58 0.899 1.594 -9.742 1.00 0.00 O ATOM 804 CB TYR A 58 2.548 3.728 -10.581 1.00 0.00 C ATOM 805 CG TYR A 58 2.615 3.013 -11.912 1.00 0.00 C ATOM 806 CD1 TYR A 58 1.521 2.991 -12.767 1.00 0.00 C ATOM 807 CD2 TYR A 58 3.774 2.360 -12.314 1.00 0.00 C ATOM 808 CE1 TYR A 58 1.578 2.338 -13.984 1.00 0.00 C ATOM 809 CE2 TYR A 58 3.840 1.706 -13.529 1.00 0.00 C ATOM 810 CZ TYR A 58 2.740 1.698 -14.360 1.00 0.00 C ATOM 811 OH TYR A 58 2.801 1.048 -15.571 1.00 0.00 O ATOM 0 H TYR A 58 1.765 4.104 -8.093 1.00 0.00 H new ATOM 0 HA TYR A 58 0.616 4.652 -10.759 1.00 0.00 H new ATOM 0 HB2 TYR A 58 3.056 4.689 -10.668 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.093 3.146 -9.837 1.00 0.00 H new ATOM 0 HD1 TYR A 58 0.610 3.493 -12.476 1.00 0.00 H new ATOM 0 HD2 TYR A 58 4.638 2.364 -11.666 1.00 0.00 H new ATOM 0 HE1 TYR A 58 0.717 2.329 -14.637 1.00 0.00 H new ATOM 0 HE2 TYR A 58 4.749 1.204 -13.826 1.00 0.00 H new ATOM 0 HH TYR A 58 3.689 0.650 -15.684 1.00 0.00 H new ATOM 821 N VAL A 59 -0.925 2.710 -10.440 1.00 0.00 N ATOM 822 CA VAL A 59 -1.772 1.524 -10.475 1.00 0.00 C ATOM 823 C VAL A 59 -2.597 1.475 -11.757 1.00 0.00 C ATOM 824 O VAL A 59 -3.245 2.454 -12.127 1.00 0.00 O ATOM 825 CB VAL A 59 -2.723 1.477 -9.264 1.00 0.00 C ATOM 826 CG1 VAL A 59 -3.406 2.822 -9.068 1.00 0.00 C ATOM 827 CG2 VAL A 59 -3.750 0.368 -9.437 1.00 0.00 C ATOM 0 H VAL A 59 -1.395 3.572 -10.717 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.108 0.660 -10.440 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.136 1.262 -8.371 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.074 2.769 -8.208 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.653 3.591 -8.896 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.982 3.071 -9.959 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.414 0.349 -8.573 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.334 0.550 -10.339 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.239 -0.591 -9.523 1.00 0.00 H new ATOM 917 N LYS A 66 -6.398 -8.074 -9.309 1.00 0.00 N ATOM 918 CA LYS A 66 -5.343 -7.574 -8.435 1.00 0.00 C ATOM 919 C LYS A 66 -4.853 -6.207 -8.901 1.00 0.00 C ATOM 920 O LYS A 66 -5.093 -5.806 -10.040 1.00 0.00 O ATOM 921 CB LYS A 66 -4.174 -8.561 -8.397 1.00 0.00 C ATOM 922 CG LYS A 66 -4.515 -9.882 -7.729 1.00 0.00 C ATOM 923 CD LYS A 66 -3.265 -10.614 -7.270 1.00 0.00 C ATOM 924 CE LYS A 66 -2.803 -10.126 -5.906 1.00 0.00 C ATOM 925 NZ LYS A 66 -1.354 -10.390 -5.684 1.00 0.00 N ATOM 0 HA LYS A 66 -5.756 -7.470 -7.431 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.839 -8.755 -9.416 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.338 -8.101 -7.869 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.166 -9.701 -6.874 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -5.071 -10.510 -8.425 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.464 -11.685 -7.226 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.468 -10.468 -7.999 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.995 -9.057 -5.819 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.385 -10.619 -5.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.078 -10.043 -4.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.175 -11.413 -5.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.796 -9.899 -6.412 1.00 0.00 H new ATOM 939 N HIS A 67 -4.164 -5.496 -8.014 1.00 0.00 N ATOM 940 CA HIS A 67 -3.638 -4.175 -8.335 1.00 0.00 C ATOM 941 C HIS A 67 -2.166 -4.067 -7.950 1.00 0.00 C ATOM 942 O HIS A 67 -1.732 -4.634 -6.946 1.00 0.00 O ATOM 943 CB HIS A 67 -4.446 -3.093 -7.618 1.00 0.00 C ATOM 944 CG HIS A 67 -5.823 -2.904 -8.175 1.00 0.00 C ATOM 945 ND1 HIS A 67 -6.108 -2.021 -9.196 1.00 0.00 N ATOM 946 CD2 HIS A 67 -6.998 -3.493 -7.850 1.00 0.00 C ATOM 947 CE1 HIS A 67 -7.398 -2.074 -9.473 1.00 0.00 C ATOM 948 NE2 HIS A 67 -7.961 -2.959 -8.671 1.00 0.00 N ATOM 0 H HIS A 67 -3.957 -5.813 -7.067 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.725 -4.029 -9.412 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.523 -3.349 -6.561 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -3.906 -2.148 -7.679 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -7.150 -4.243 -7.088 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -7.906 -1.492 -10.228 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -8.951 -3.206 -8.663 1.00 0.00 H new ATOM 957 N THR A 68 -1.400 -3.336 -8.754 1.00 0.00 N ATOM 958 CA THR A 68 0.023 -3.156 -8.499 1.00 0.00 C ATOM 959 C THR A 68 0.367 -1.682 -8.318 1.00 0.00 C ATOM 960 O THR A 68 0.210 -0.881 -9.240 1.00 0.00 O ATOM 961 CB THR A 68 0.877 -3.735 -9.643 1.00 0.00 C ATOM 962 OG1 THR A 68 0.584 -5.125 -9.817 1.00 0.00 O ATOM 963 CG2 THR A 68 2.360 -3.556 -9.355 1.00 0.00 C ATOM 0 H THR A 68 -1.742 -2.859 -9.588 1.00 0.00 H new ATOM 0 HA THR A 68 0.250 -3.695 -7.579 1.00 0.00 H new ATOM 0 HB THR A 68 0.633 -3.195 -10.558 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.129 -5.485 -10.547 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.943 -3.972 -10.176 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.585 -2.494 -9.252 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.616 -4.073 -8.430 1.00 0.00 H new ATOM 971 N ILE A 69 0.838 -1.330 -7.127 1.00 0.00 N ATOM 972 CA ILE A 69 1.206 0.048 -6.828 1.00 0.00 C ATOM 973 C ILE A 69 2.717 0.240 -6.895 1.00 0.00 C ATOM 974 O ILE A 69 3.483 -0.614 -6.448 1.00 0.00 O ATOM 975 CB ILE A 69 0.707 0.474 -5.434 1.00 0.00 C ATOM 976 CG1 ILE A 69 -0.649 -0.169 -5.135 1.00 0.00 C ATOM 977 CG2 ILE A 69 0.612 1.990 -5.346 1.00 0.00 C ATOM 978 CD1 ILE A 69 -1.680 0.065 -6.217 1.00 0.00 C ATOM 0 H ILE A 69 0.974 -1.980 -6.353 1.00 0.00 H new ATOM 0 HA ILE A 69 0.729 0.673 -7.583 1.00 0.00 H new ATOM 0 HB ILE A 69 1.423 0.131 -4.687 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.512 -1.242 -5.001 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.028 0.224 -4.192 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.258 2.275 -4.355 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.595 2.427 -5.520 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.086 2.355 -6.100 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.616 -0.419 -5.938 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.846 1.136 -6.336 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.322 -0.353 -7.158 1.00 0.00 H new ATOM 990 N ARG A 70 3.140 1.369 -7.456 1.00 0.00 N ATOM 991 CA ARG A 70 4.560 1.674 -7.581 1.00 0.00 C ATOM 992 C ARG A 70 4.823 3.155 -7.321 1.00 0.00 C ATOM 993 O ARG A 70 4.238 4.023 -7.969 1.00 0.00 O ATOM 994 CB ARG A 70 5.064 1.293 -8.974 1.00 0.00 C ATOM 995 CG ARG A 70 6.572 1.111 -9.047 1.00 0.00 C ATOM 996 CD ARG A 70 7.060 1.086 -10.487 1.00 0.00 C ATOM 997 NE ARG A 70 6.951 2.395 -11.125 1.00 0.00 N ATOM 998 CZ ARG A 70 7.495 2.687 -12.301 1.00 0.00 C ATOM 999 NH1 ARG A 70 8.182 1.768 -12.964 1.00 0.00 N ATOM 1000 NH2 ARG A 70 7.351 3.902 -12.817 1.00 0.00 N ATOM 0 H ARG A 70 2.520 2.087 -7.831 1.00 0.00 H new ATOM 0 HA ARG A 70 5.099 1.090 -6.834 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.579 0.368 -9.286 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.765 2.065 -9.683 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.064 1.921 -8.509 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.852 0.182 -8.550 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.099 0.756 -10.512 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.480 0.357 -11.054 1.00 0.00 H new ATOM 0 HE ARG A 70 6.428 3.125 -10.641 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.294 0.833 -12.571 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.599 1.995 -13.867 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.822 4.612 -12.310 1.00 0.00 H new ATOM 0 HH22 ARG A 70 7.769 4.125 -13.720 1.00 0.00 H new ATOM 1014 N PHE A 71 5.706 3.435 -6.368 1.00 0.00 N ATOM 1015 CA PHE A 71 6.045 4.810 -6.021 1.00 0.00 C ATOM 1016 C PHE A 71 7.407 4.878 -5.336 1.00 0.00 C ATOM 1017 O PHE A 71 7.828 3.929 -4.673 1.00 0.00 O ATOM 1018 CB PHE A 71 4.972 5.407 -5.108 1.00 0.00 C ATOM 1019 CG PHE A 71 4.603 4.518 -3.955 1.00 0.00 C ATOM 1020 CD1 PHE A 71 5.531 4.215 -2.971 1.00 0.00 C ATOM 1021 CD2 PHE A 71 3.328 3.984 -3.855 1.00 0.00 C ATOM 1022 CE1 PHE A 71 5.195 3.398 -1.909 1.00 0.00 C ATOM 1023 CE2 PHE A 71 2.986 3.167 -2.794 1.00 0.00 C ATOM 1024 CZ PHE A 71 3.921 2.872 -1.821 1.00 0.00 C ATOM 0 H PHE A 71 6.199 2.728 -5.823 1.00 0.00 H new ATOM 0 HA PHE A 71 6.092 5.390 -6.943 1.00 0.00 H new ATOM 0 HB2 PHE A 71 5.326 6.362 -4.721 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.079 5.614 -5.697 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.529 4.623 -3.035 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.594 4.209 -4.614 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.928 3.171 -1.149 1.00 0.00 H new ATOM 0 HE2 PHE A 71 1.988 2.759 -2.726 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.656 2.231 -0.993 1.00 0.00 H new ATOM 1034 N ILE A 72 8.090 6.006 -5.501 1.00 0.00 N ATOM 1035 CA ILE A 72 9.403 6.198 -4.899 1.00 0.00 C ATOM 1036 C ILE A 72 9.401 7.386 -3.943 1.00 0.00 C ATOM 1037 O ILE A 72 9.074 8.513 -4.315 1.00 0.00 O ATOM 1038 CB ILE A 72 10.487 6.418 -5.971 1.00 0.00 C ATOM 1039 CG1 ILE A 72 10.581 5.198 -6.890 1.00 0.00 C ATOM 1040 CG2 ILE A 72 11.831 6.699 -5.316 1.00 0.00 C ATOM 1041 CD1 ILE A 72 11.282 5.482 -8.201 1.00 0.00 C ATOM 0 H ILE A 72 7.756 6.800 -6.046 1.00 0.00 H new ATOM 0 HA ILE A 72 9.632 5.288 -4.344 1.00 0.00 H new ATOM 0 HB ILE A 72 10.211 7.283 -6.574 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.111 4.401 -6.369 1.00 0.00 H new ATOM 0 HG13 ILE A 72 9.576 4.831 -7.097 1.00 0.00 H new ATOM 0 HG21 ILE A 72 12.586 6.852 -6.087 1.00 0.00 H new ATOM 0 HG22 ILE A 72 11.755 7.595 -4.699 1.00 0.00 H new ATOM 0 HG23 ILE A 72 12.116 5.852 -4.692 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.312 4.573 -8.802 1.00 0.00 H new ATOM 0 HD12 ILE A 72 10.740 6.257 -8.743 1.00 0.00 H new ATOM 0 HD13 ILE A 72 12.299 5.821 -8.004 1.00 0.00 H new ATOM 1053 N PRO A 73 9.777 7.130 -2.681 1.00 0.00 N ATOM 1054 CA PRO A 73 9.830 8.167 -1.646 1.00 0.00 C ATOM 1055 C PRO A 73 10.956 9.167 -1.883 1.00 0.00 C ATOM 1056 O PRO A 73 12.038 9.047 -1.306 1.00 0.00 O ATOM 1057 CB PRO A 73 10.081 7.372 -0.362 1.00 0.00 C ATOM 1058 CG PRO A 73 10.755 6.123 -0.814 1.00 0.00 C ATOM 1059 CD PRO A 73 10.181 5.810 -2.168 1.00 0.00 C ATOM 0 HA PRO A 73 8.920 8.766 -1.622 1.00 0.00 H new ATOM 0 HB2 PRO A 73 10.708 7.931 0.333 1.00 0.00 H new ATOM 0 HB3 PRO A 73 9.148 7.153 0.156 1.00 0.00 H new ATOM 0 HG2 PRO A 73 11.835 6.261 -0.870 1.00 0.00 H new ATOM 0 HG3 PRO A 73 10.574 5.307 -0.115 1.00 0.00 H new ATOM 0 HD2 PRO A 73 10.917 5.335 -2.816 1.00 0.00 H new ATOM 0 HD3 PRO A 73 9.332 5.130 -2.097 1.00 0.00 H new ATOM 1067 N HIS A 74 10.696 10.153 -2.734 1.00 0.00 N ATOM 1068 CA HIS A 74 11.689 11.176 -3.047 1.00 0.00 C ATOM 1069 C HIS A 74 12.429 11.617 -1.787 1.00 0.00 C ATOM 1070 O HIS A 74 13.620 11.923 -1.832 1.00 0.00 O ATOM 1071 CB HIS A 74 11.020 12.381 -3.708 1.00 0.00 C ATOM 1072 CG HIS A 74 10.825 12.223 -5.184 1.00 0.00 C ATOM 1073 ND1 HIS A 74 10.345 11.065 -5.760 1.00 0.00 N ATOM 1074 CD2 HIS A 74 11.047 13.085 -6.204 1.00 0.00 C ATOM 1075 CE1 HIS A 74 10.281 11.222 -7.070 1.00 0.00 C ATOM 1076 NE2 HIS A 74 10.701 12.439 -7.366 1.00 0.00 N ATOM 0 H HIS A 74 9.806 10.266 -3.220 1.00 0.00 H new ATOM 0 HA HIS A 74 12.412 10.746 -3.741 1.00 0.00 H new ATOM 0 HB2 HIS A 74 10.051 12.551 -3.238 1.00 0.00 H new ATOM 0 HB3 HIS A 74 11.625 13.269 -3.523 1.00 0.00 H new ATOM 0 HD1 HIS A 74 10.081 10.220 -5.254 1.00 0.00 H new ATOM 0 HD2 HIS A 74 11.426 14.093 -6.120 1.00 0.00 H new ATOM 0 HE1 HIS A 74 9.943 10.481 -7.779 1.00 0.00 H new ATOM 1085 N GLU A 75 11.714 11.647 -0.667 1.00 0.00 N ATOM 1086 CA GLU A 75 12.304 12.053 0.604 1.00 0.00 C ATOM 1087 C GLU A 75 12.102 10.976 1.666 1.00 0.00 C ATOM 1088 O GLU A 75 11.499 9.936 1.404 1.00 0.00 O ATOM 1089 CB GLU A 75 11.693 13.373 1.077 1.00 0.00 C ATOM 1090 CG GLU A 75 10.175 13.403 1.000 1.00 0.00 C ATOM 1091 CD GLU A 75 9.544 12.088 1.414 1.00 0.00 C ATOM 1092 OE1 GLU A 75 9.337 11.884 2.628 1.00 0.00 O ATOM 1093 OE2 GLU A 75 9.257 11.262 0.522 1.00 0.00 O ATOM 0 H GLU A 75 10.727 11.396 -0.613 1.00 0.00 H new ATOM 0 HA GLU A 75 13.374 12.191 0.451 1.00 0.00 H new ATOM 0 HB2 GLU A 75 12.000 13.558 2.106 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.095 14.187 0.474 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.798 14.200 1.641 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.871 13.643 -0.019 1.00 0.00 H new ATOM 1100 N ASN A 76 12.611 11.234 2.866 1.00 0.00 N ATOM 1101 CA ASN A 76 12.487 10.287 3.968 1.00 0.00 C ATOM 1102 C ASN A 76 11.265 10.605 4.825 1.00 0.00 C ATOM 1103 O ASN A 76 10.705 11.697 4.744 1.00 0.00 O ATOM 1104 CB ASN A 76 13.750 10.311 4.833 1.00 0.00 C ATOM 1105 CG ASN A 76 15.011 10.490 4.010 1.00 0.00 C ATOM 1106 OD1 ASN A 76 15.065 9.828 2.859 1.00 0.00 O flip ATOM 1107 ND2 ASN A 76 15.925 11.214 4.403 1.00 0.00 N flip ATOM 0 H ASN A 76 13.113 12.090 3.100 1.00 0.00 H new ATOM 0 HA ASN A 76 12.362 9.290 3.545 1.00 0.00 H new ATOM 0 HB2 ASN A 76 13.675 11.121 5.558 1.00 0.00 H new ATOM 0 HB3 ASN A 76 13.817 9.382 5.399 1.00 0.00 H new ATOM 0 HD21 ASN A 76 15.841 11.704 5.294 1.00 0.00 H new ATOM 0 HD22 ASN A 76 16.767 11.325 3.838 1.00 0.00 H new ATOM 1114 N GLY A 77 10.857 9.642 5.646 1.00 0.00 N ATOM 1115 CA GLY A 77 9.705 9.839 6.505 1.00 0.00 C ATOM 1116 C GLY A 77 8.586 8.861 6.208 1.00 0.00 C ATOM 1117 O GLY A 77 8.490 8.334 5.099 1.00 0.00 O ATOM 0 H GLY A 77 11.304 8.729 5.731 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.010 9.732 7.546 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.335 10.857 6.384 1.00 0.00 H new ATOM 1121 N VAL A 78 7.736 8.616 7.201 1.00 0.00 N ATOM 1122 CA VAL A 78 6.618 7.694 7.040 1.00 0.00 C ATOM 1123 C VAL A 78 5.542 8.286 6.138 1.00 0.00 C ATOM 1124 O VAL A 78 4.961 9.327 6.447 1.00 0.00 O ATOM 1125 CB VAL A 78 5.991 7.331 8.399 1.00 0.00 C ATOM 1126 CG1 VAL A 78 4.804 6.399 8.208 1.00 0.00 C ATOM 1127 CG2 VAL A 78 7.030 6.703 9.315 1.00 0.00 C ATOM 0 H VAL A 78 7.801 9.043 8.125 1.00 0.00 H new ATOM 0 HA VAL A 78 7.017 6.791 6.579 1.00 0.00 H new ATOM 0 HB VAL A 78 5.632 8.246 8.869 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.374 6.154 9.179 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.051 6.890 7.592 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.135 5.484 7.716 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.569 6.453 10.271 1.00 0.00 H new ATOM 0 HG22 VAL A 78 7.422 5.797 8.853 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.845 7.408 9.479 1.00 0.00 H new ATOM 1137 N HIS A 79 5.281 7.617 5.019 1.00 0.00 N ATOM 1138 CA HIS A 79 4.273 8.077 4.071 1.00 0.00 C ATOM 1139 C HIS A 79 2.912 7.463 4.383 1.00 0.00 C ATOM 1140 O HIS A 79 2.828 6.374 4.952 1.00 0.00 O ATOM 1141 CB HIS A 79 4.689 7.725 2.642 1.00 0.00 C ATOM 1142 CG HIS A 79 5.888 8.483 2.162 1.00 0.00 C ATOM 1143 ND1 HIS A 79 6.993 8.721 2.952 1.00 0.00 N ATOM 1144 CD2 HIS A 79 6.152 9.056 0.965 1.00 0.00 C ATOM 1145 CE1 HIS A 79 7.884 9.410 2.262 1.00 0.00 C ATOM 1146 NE2 HIS A 79 7.399 9.626 1.053 1.00 0.00 N ATOM 0 H HIS A 79 5.754 6.755 4.747 1.00 0.00 H new ATOM 0 HA HIS A 79 4.192 9.160 4.162 1.00 0.00 H new ATOM 0 HB2 HIS A 79 4.899 6.657 2.586 1.00 0.00 H new ATOM 0 HB3 HIS A 79 3.853 7.921 1.971 1.00 0.00 H new ATOM 0 HD1 HIS A 79 7.105 8.413 3.918 1.00 0.00 H new ATOM 0 HD2 HIS A 79 5.503 9.064 0.101 1.00 0.00 H new ATOM 0 HE1 HIS A 79 8.846 9.741 2.625 1.00 0.00 H new ATOM 0 HE2 HIS A 79 7.873 10.133 0.306 1.00 0.00 H new ATOM 1155 N SER A 80 1.850 8.168 4.009 1.00 0.00 N ATOM 1156 CA SER A 80 0.493 7.694 4.254 1.00 0.00 C ATOM 1157 C SER A 80 -0.139 7.167 2.969 1.00 0.00 C ATOM 1158 O SER A 80 -0.539 7.941 2.099 1.00 0.00 O ATOM 1159 CB SER A 80 -0.367 8.820 4.834 1.00 0.00 C ATOM 1160 OG SER A 80 -1.426 8.300 5.619 1.00 0.00 O ATOM 0 H SER A 80 1.903 9.070 3.535 1.00 0.00 H new ATOM 0 HA SER A 80 0.545 6.878 4.975 1.00 0.00 H new ATOM 0 HB2 SER A 80 0.253 9.478 5.443 1.00 0.00 H new ATOM 0 HB3 SER A 80 -0.774 9.425 4.024 1.00 0.00 H new ATOM 0 HG SER A 80 -1.959 9.039 5.979 1.00 0.00 H new ATOM 1166 N ILE A 81 -0.224 5.846 2.858 1.00 0.00 N ATOM 1167 CA ILE A 81 -0.808 5.215 1.681 1.00 0.00 C ATOM 1168 C ILE A 81 -2.325 5.121 1.803 1.00 0.00 C ATOM 1169 O ILE A 81 -2.849 4.259 2.509 1.00 0.00 O ATOM 1170 CB ILE A 81 -0.234 3.803 1.456 1.00 0.00 C ATOM 1171 CG1 ILE A 81 1.266 3.785 1.757 1.00 0.00 C ATOM 1172 CG2 ILE A 81 -0.500 3.344 0.030 1.00 0.00 C ATOM 1173 CD1 ILE A 81 2.087 4.605 0.786 1.00 0.00 C ATOM 0 H ILE A 81 0.104 5.192 3.569 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.553 5.843 0.827 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.730 3.112 2.137 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.430 4.161 2.767 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.620 2.754 1.739 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -0.089 2.345 -0.113 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.575 3.323 -0.151 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -0.028 4.035 -0.669 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.140 4.546 1.060 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.953 4.216 -0.223 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.760 5.644 0.821 1.00 0.00 H new ATOM 1185 N ASP A 82 -3.025 6.011 1.109 1.00 0.00 N ATOM 1186 CA ASP A 82 -4.483 6.028 1.136 1.00 0.00 C ATOM 1187 C ASP A 82 -5.056 5.029 0.135 1.00 0.00 C ATOM 1188 O ASP A 82 -5.092 5.291 -1.067 1.00 0.00 O ATOM 1189 CB ASP A 82 -5.004 7.432 0.830 1.00 0.00 C ATOM 1190 CG ASP A 82 -4.796 8.392 1.985 1.00 0.00 C ATOM 1191 OD1 ASP A 82 -3.719 8.337 2.614 1.00 0.00 O ATOM 1192 OD2 ASP A 82 -5.710 9.197 2.260 1.00 0.00 O ATOM 0 H ASP A 82 -2.606 6.731 0.520 1.00 0.00 H new ATOM 0 HA ASP A 82 -4.807 5.740 2.136 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -4.499 7.819 -0.055 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -6.067 7.378 0.593 1.00 0.00 H new ATOM 1197 N VAL A 83 -5.503 3.883 0.639 1.00 0.00 N ATOM 1198 CA VAL A 83 -6.074 2.846 -0.210 1.00 0.00 C ATOM 1199 C VAL A 83 -7.593 2.803 -0.080 1.00 0.00 C ATOM 1200 O VAL A 83 -8.127 2.437 0.967 1.00 0.00 O ATOM 1201 CB VAL A 83 -5.501 1.458 0.136 1.00 0.00 C ATOM 1202 CG1 VAL A 83 -6.167 0.380 -0.706 1.00 0.00 C ATOM 1203 CG2 VAL A 83 -3.993 1.442 -0.058 1.00 0.00 C ATOM 0 H VAL A 83 -5.480 3.650 1.632 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.807 3.096 -1.237 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.712 1.248 1.185 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.750 -0.593 -0.448 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.240 0.378 -0.512 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.990 0.582 -1.762 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.605 0.454 0.191 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.757 1.674 -1.097 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.535 2.187 0.593 1.00 0.00 H new ATOM 1213 N LYS A 84 -8.284 3.180 -1.150 1.00 0.00 N ATOM 1214 CA LYS A 84 -9.742 3.184 -1.158 1.00 0.00 C ATOM 1215 C LYS A 84 -10.284 2.105 -2.091 1.00 0.00 C ATOM 1216 O LYS A 84 -9.580 1.630 -2.982 1.00 0.00 O ATOM 1217 CB LYS A 84 -10.266 4.555 -1.588 1.00 0.00 C ATOM 1218 CG LYS A 84 -10.388 5.546 -0.443 1.00 0.00 C ATOM 1219 CD LYS A 84 -11.492 6.558 -0.697 1.00 0.00 C ATOM 1220 CE LYS A 84 -11.031 7.664 -1.634 1.00 0.00 C ATOM 1221 NZ LYS A 84 -11.093 7.242 -3.061 1.00 0.00 N ATOM 0 H LYS A 84 -7.857 3.487 -2.024 1.00 0.00 H new ATOM 0 HA LYS A 84 -10.087 2.971 -0.146 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -9.600 4.968 -2.345 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -11.243 4.431 -2.056 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -10.591 5.009 0.484 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -9.440 6.067 -0.309 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -12.358 6.053 -1.126 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -11.813 6.992 0.250 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -11.654 8.547 -1.489 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -10.009 7.950 -1.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -11.276 8.072 -3.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -10.188 6.810 -3.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -11.859 6.549 -3.185 1.00 0.00 H new ATOM 1235 N PHE A 85 -11.540 1.725 -1.881 1.00 0.00 N ATOM 1236 CA PHE A 85 -12.176 0.703 -2.703 1.00 0.00 C ATOM 1237 C PHE A 85 -13.584 1.129 -3.108 1.00 0.00 C ATOM 1238 O PHE A 85 -14.459 1.304 -2.261 1.00 0.00 O ATOM 1239 CB PHE A 85 -12.232 -0.628 -1.949 1.00 0.00 C ATOM 1240 CG PHE A 85 -12.624 -1.791 -2.814 1.00 0.00 C ATOM 1241 CD1 PHE A 85 -11.879 -2.121 -3.935 1.00 0.00 C ATOM 1242 CD2 PHE A 85 -13.739 -2.555 -2.507 1.00 0.00 C ATOM 1243 CE1 PHE A 85 -12.238 -3.191 -4.733 1.00 0.00 C ATOM 1244 CE2 PHE A 85 -14.102 -3.626 -3.301 1.00 0.00 C ATOM 1245 CZ PHE A 85 -13.351 -3.944 -4.416 1.00 0.00 C ATOM 0 H PHE A 85 -12.137 2.109 -1.149 1.00 0.00 H new ATOM 0 HA PHE A 85 -11.579 0.576 -3.606 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -11.256 -0.827 -1.507 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -12.943 -0.541 -1.127 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -11.008 -1.535 -4.188 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -14.331 -2.310 -1.637 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -11.648 -3.438 -5.604 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -14.972 -4.214 -3.050 1.00 0.00 H new ATOM 0 HZ PHE A 85 -13.634 -4.780 -5.039 1.00 0.00 H new ATOM 1255 N ASN A 86 -13.794 1.296 -4.410 1.00 0.00 N ATOM 1256 CA ASN A 86 -15.095 1.704 -4.929 1.00 0.00 C ATOM 1257 C ASN A 86 -15.779 2.679 -3.976 1.00 0.00 C ATOM 1258 O ASN A 86 -16.975 2.568 -3.710 1.00 0.00 O ATOM 1259 CB ASN A 86 -15.985 0.480 -5.150 1.00 0.00 C ATOM 1260 CG ASN A 86 -16.986 0.687 -6.271 1.00 0.00 C ATOM 1261 OD1 ASN A 86 -18.110 1.133 -6.040 1.00 0.00 O ATOM 1262 ND2 ASN A 86 -16.580 0.363 -7.493 1.00 0.00 N ATOM 0 H ASN A 86 -13.080 1.155 -5.125 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.937 2.207 -5.883 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -15.360 -0.383 -5.379 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -16.519 0.251 -4.228 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -17.209 0.480 -8.287 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -15.639 -0.003 -7.637 1.00 0.00 H new ATOM 1269 N GLY A 87 -15.010 3.636 -3.464 1.00 0.00 N ATOM 1270 CA GLY A 87 -15.559 4.617 -2.546 1.00 0.00 C ATOM 1271 C GLY A 87 -15.709 4.075 -1.139 1.00 0.00 C ATOM 1272 O GLY A 87 -16.654 4.420 -0.431 1.00 0.00 O ATOM 0 H GLY A 87 -14.017 3.749 -3.669 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -14.912 5.494 -2.527 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -16.532 4.946 -2.911 1.00 0.00 H new ATOM 1276 N ALA A 88 -14.775 3.222 -0.733 1.00 0.00 N ATOM 1277 CA ALA A 88 -14.807 2.631 0.599 1.00 0.00 C ATOM 1278 C ALA A 88 -13.397 2.419 1.140 1.00 0.00 C ATOM 1279 O ALA A 88 -12.589 1.712 0.537 1.00 0.00 O ATOM 1280 CB ALA A 88 -15.567 1.313 0.574 1.00 0.00 C ATOM 0 H ALA A 88 -13.986 2.925 -1.308 1.00 0.00 H new ATOM 0 HA ALA A 88 -15.323 3.324 1.264 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -15.583 0.883 1.575 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -16.589 1.489 0.238 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -15.074 0.622 -0.110 1.00 0.00 H new ATOM 1286 N HIS A 89 -13.106 3.038 2.281 1.00 0.00 N ATOM 1287 CA HIS A 89 -11.793 2.917 2.903 1.00 0.00 C ATOM 1288 C HIS A 89 -11.593 1.521 3.484 1.00 0.00 C ATOM 1289 O HIS A 89 -12.519 0.934 4.045 1.00 0.00 O ATOM 1290 CB HIS A 89 -11.626 3.968 4.001 1.00 0.00 C ATOM 1291 CG HIS A 89 -11.031 5.253 3.514 1.00 0.00 C ATOM 1292 ND1 HIS A 89 -9.688 5.548 3.618 1.00 0.00 N ATOM 1293 CD2 HIS A 89 -11.604 6.324 2.916 1.00 0.00 C ATOM 1294 CE1 HIS A 89 -9.461 6.744 3.107 1.00 0.00 C ATOM 1295 NE2 HIS A 89 -10.607 7.237 2.673 1.00 0.00 N ATOM 0 H HIS A 89 -13.762 3.628 2.793 1.00 0.00 H new ATOM 0 HA HIS A 89 -11.038 3.083 2.134 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -12.599 4.174 4.447 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.994 3.560 4.790 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -12.650 6.439 2.675 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -8.501 7.236 3.053 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -10.731 8.147 2.230 1.00 0.00 H new ATOM 1304 N ILE A 90 -10.381 0.995 3.347 1.00 0.00 N ATOM 1305 CA ILE A 90 -10.061 -0.331 3.859 1.00 0.00 C ATOM 1306 C ILE A 90 -9.584 -0.262 5.306 1.00 0.00 C ATOM 1307 O ILE A 90 -9.012 0.734 5.750 1.00 0.00 O ATOM 1308 CB ILE A 90 -8.978 -1.018 3.006 1.00 0.00 C ATOM 1309 CG1 ILE A 90 -7.638 -0.298 3.167 1.00 0.00 C ATOM 1310 CG2 ILE A 90 -9.396 -1.049 1.543 1.00 0.00 C ATOM 1311 CD1 ILE A 90 -6.440 -1.179 2.888 1.00 0.00 C ATOM 0 H ILE A 90 -9.604 1.467 2.885 1.00 0.00 H new ATOM 0 HA ILE A 90 -10.978 -0.918 3.809 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.861 -2.045 3.352 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.613 0.559 2.494 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.564 0.091 4.182 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -8.620 -1.538 0.953 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -10.330 -1.602 1.443 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -9.537 -0.030 1.183 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.525 -0.602 3.022 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.441 -2.023 3.578 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.490 -1.548 1.863 1.00 0.00 H new ATOM 1323 N PRO A 91 -9.823 -1.345 6.060 1.00 0.00 N ATOM 1324 CA PRO A 91 -9.424 -1.433 7.468 1.00 0.00 C ATOM 1325 C PRO A 91 -7.911 -1.528 7.637 1.00 0.00 C ATOM 1326 O PRO A 91 -7.315 -2.578 7.403 1.00 0.00 O ATOM 1327 CB PRO A 91 -10.097 -2.721 7.947 1.00 0.00 C ATOM 1328 CG PRO A 91 -10.263 -3.543 6.716 1.00 0.00 C ATOM 1329 CD PRO A 91 -10.500 -2.568 5.596 1.00 0.00 C ATOM 0 HA PRO A 91 -9.718 -0.547 8.031 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -9.484 -3.236 8.687 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -11.058 -2.514 8.417 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -9.375 -4.146 6.527 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -11.101 -4.232 6.817 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -10.082 -2.927 4.656 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -11.564 -2.400 5.428 1.00 0.00 H new ATOM 1337 N GLY A 92 -7.296 -0.422 8.045 1.00 0.00 N ATOM 1338 CA GLY A 92 -5.858 -0.402 8.238 1.00 0.00 C ATOM 1339 C GLY A 92 -5.193 0.762 7.531 1.00 0.00 C ATOM 1340 O GLY A 92 -4.060 1.124 7.846 1.00 0.00 O ATOM 0 H GLY A 92 -7.768 0.460 8.245 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -5.639 -0.348 9.304 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -5.433 -1.336 7.872 1.00 0.00 H new ATOM 1344 N SER A 93 -5.899 1.349 6.570 1.00 0.00 N ATOM 1345 CA SER A 93 -5.369 2.476 5.811 1.00 0.00 C ATOM 1346 C SER A 93 -5.687 3.797 6.505 1.00 0.00 C ATOM 1347 O SER A 93 -6.666 3.920 7.242 1.00 0.00 O ATOM 1348 CB SER A 93 -5.944 2.480 4.394 1.00 0.00 C ATOM 1349 OG SER A 93 -6.067 3.801 3.896 1.00 0.00 O ATOM 0 H SER A 93 -6.840 1.063 6.298 1.00 0.00 H new ATOM 0 HA SER A 93 -4.286 2.367 5.755 1.00 0.00 H new ATOM 0 HB2 SER A 93 -5.299 1.898 3.735 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.920 1.996 4.393 1.00 0.00 H new ATOM 0 HG SER A 93 -6.817 3.845 3.267 1.00 0.00 H new ATOM 1355 N PRO A 94 -4.841 4.809 6.265 1.00 0.00 N ATOM 1356 CA PRO A 94 -3.673 4.674 5.391 1.00 0.00 C ATOM 1357 C PRO A 94 -2.593 3.787 5.999 1.00 0.00 C ATOM 1358 O PRO A 94 -2.399 3.772 7.215 1.00 0.00 O ATOM 1359 CB PRO A 94 -3.167 6.112 5.250 1.00 0.00 C ATOM 1360 CG PRO A 94 -3.645 6.804 6.480 1.00 0.00 C ATOM 1361 CD PRO A 94 -4.960 6.164 6.830 1.00 0.00 C ATOM 0 HA PRO A 94 -3.927 4.202 4.442 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -2.080 6.144 5.175 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -3.562 6.585 4.351 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -2.928 6.693 7.294 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -3.766 7.873 6.305 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -5.120 6.137 7.908 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.800 6.708 6.397 1.00 0.00 H new ATOM 1369 N PHE A 95 -1.890 3.048 5.147 1.00 0.00 N ATOM 1370 CA PHE A 95 -0.829 2.157 5.601 1.00 0.00 C ATOM 1371 C PHE A 95 0.458 2.933 5.862 1.00 0.00 C ATOM 1372 O PHE A 95 1.114 3.402 4.931 1.00 0.00 O ATOM 1373 CB PHE A 95 -0.576 1.060 4.565 1.00 0.00 C ATOM 1374 CG PHE A 95 -1.631 -0.009 4.553 1.00 0.00 C ATOM 1375 CD1 PHE A 95 -1.867 -0.781 5.679 1.00 0.00 C ATOM 1376 CD2 PHE A 95 -2.388 -0.242 3.416 1.00 0.00 C ATOM 1377 CE1 PHE A 95 -2.837 -1.765 5.672 1.00 0.00 C ATOM 1378 CE2 PHE A 95 -3.360 -1.224 3.403 1.00 0.00 C ATOM 1379 CZ PHE A 95 -3.584 -1.988 4.532 1.00 0.00 C ATOM 0 H PHE A 95 -2.036 3.049 4.138 1.00 0.00 H new ATOM 0 HA PHE A 95 -1.151 1.697 6.535 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -0.518 1.513 3.575 1.00 0.00 H new ATOM 0 HB3 PHE A 95 0.393 0.601 4.763 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -1.286 -0.612 6.573 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -2.216 0.351 2.530 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -3.011 -2.359 6.557 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -3.944 -1.394 2.511 1.00 0.00 H new ATOM 0 HZ PHE A 95 -4.341 -2.758 4.523 1.00 0.00 H new ATOM 1389 N LYS A 96 0.815 3.065 7.135 1.00 0.00 N ATOM 1390 CA LYS A 96 2.024 3.783 7.521 1.00 0.00 C ATOM 1391 C LYS A 96 3.270 2.974 7.178 1.00 0.00 C ATOM 1392 O LYS A 96 3.602 2.008 7.865 1.00 0.00 O ATOM 1393 CB LYS A 96 2.001 4.095 9.019 1.00 0.00 C ATOM 1394 CG LYS A 96 0.896 5.055 9.424 1.00 0.00 C ATOM 1395 CD LYS A 96 1.196 6.473 8.968 1.00 0.00 C ATOM 1396 CE LYS A 96 0.356 7.491 9.725 1.00 0.00 C ATOM 1397 NZ LYS A 96 0.884 7.736 11.096 1.00 0.00 N ATOM 0 H LYS A 96 0.284 2.684 7.918 1.00 0.00 H new ATOM 0 HA LYS A 96 2.055 4.718 6.962 1.00 0.00 H new ATOM 0 HB2 LYS A 96 1.883 3.164 9.574 1.00 0.00 H new ATOM 0 HB3 LYS A 96 2.963 4.519 9.308 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -0.050 4.726 8.993 1.00 0.00 H new ATOM 0 HG3 LYS A 96 0.776 5.038 10.507 1.00 0.00 H new ATOM 0 HD2 LYS A 96 2.254 6.689 9.118 1.00 0.00 H new ATOM 0 HD3 LYS A 96 1.001 6.562 7.899 1.00 0.00 H new ATOM 0 HE2 LYS A 96 0.336 8.429 9.171 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.673 7.137 9.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 0.347 8.507 11.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 0.786 6.871 11.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 1.888 8.001 11.039 1.00 0.00 H new ATOM 1411 N ILE A 97 3.957 3.375 6.113 1.00 0.00 N ATOM 1412 CA ILE A 97 5.168 2.687 5.682 1.00 0.00 C ATOM 1413 C ILE A 97 6.413 3.493 6.038 1.00 0.00 C ATOM 1414 O ILE A 97 6.528 4.666 5.683 1.00 0.00 O ATOM 1415 CB ILE A 97 5.156 2.425 4.165 1.00 0.00 C ATOM 1416 CG1 ILE A 97 4.938 3.732 3.400 1.00 0.00 C ATOM 1417 CG2 ILE A 97 4.077 1.412 3.811 1.00 0.00 C ATOM 1418 CD1 ILE A 97 4.900 3.555 1.899 1.00 0.00 C ATOM 0 H ILE A 97 3.696 4.172 5.533 1.00 0.00 H new ATOM 0 HA ILE A 97 5.193 1.732 6.207 1.00 0.00 H new ATOM 0 HB ILE A 97 6.123 2.014 3.875 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.002 4.184 3.728 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.735 4.430 3.655 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.081 1.237 2.735 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.273 0.475 4.332 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.103 1.798 4.112 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.742 4.523 1.422 1.00 0.00 H new ATOM 0 HD12 ILE A 97 5.845 3.132 1.558 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.085 2.882 1.632 1.00 0.00 H new ATOM 1430 N ARG A 98 7.344 2.854 6.739 1.00 0.00 N ATOM 1431 CA ARG A 98 8.581 3.510 7.143 1.00 0.00 C ATOM 1432 C ARG A 98 9.627 3.426 6.035 1.00 0.00 C ATOM 1433 O ARG A 98 10.016 2.336 5.615 1.00 0.00 O ATOM 1434 CB ARG A 98 9.127 2.875 8.423 1.00 0.00 C ATOM 1435 CG ARG A 98 10.341 3.593 8.989 1.00 0.00 C ATOM 1436 CD ARG A 98 11.146 2.687 9.908 1.00 0.00 C ATOM 1437 NE ARG A 98 10.395 2.314 11.104 1.00 0.00 N ATOM 1438 CZ ARG A 98 10.247 3.111 12.156 1.00 0.00 C ATOM 1439 NH1 ARG A 98 10.794 4.319 12.160 1.00 0.00 N ATOM 1440 NH2 ARG A 98 9.550 2.701 13.208 1.00 0.00 N ATOM 0 H ARG A 98 7.265 1.882 7.039 1.00 0.00 H new ATOM 0 HA ARG A 98 8.360 4.560 7.333 1.00 0.00 H new ATOM 0 HB2 ARG A 98 8.339 2.862 9.176 1.00 0.00 H new ATOM 0 HB3 ARG A 98 9.391 1.837 8.220 1.00 0.00 H new ATOM 0 HG2 ARG A 98 10.974 3.939 8.172 1.00 0.00 H new ATOM 0 HG3 ARG A 98 10.019 4.477 9.539 1.00 0.00 H new ATOM 0 HD2 ARG A 98 11.436 1.787 9.366 1.00 0.00 H new ATOM 0 HD3 ARG A 98 12.066 3.193 10.201 1.00 0.00 H new ATOM 0 HE ARG A 98 9.961 1.392 11.133 1.00 0.00 H new ATOM 0 HH11 ARG A 98 11.330 4.639 11.353 1.00 0.00 H new ATOM 0 HH12 ARG A 98 10.678 4.929 12.970 1.00 0.00 H new ATOM 0 HH21 ARG A 98 9.127 1.773 13.209 1.00 0.00 H new ATOM 0 HH22 ARG A 98 9.437 3.314 14.015 1.00 0.00 H new ATOM 1454 N VAL A 99 10.079 4.585 5.565 1.00 0.00 N ATOM 1455 CA VAL A 99 11.080 4.643 4.506 1.00 0.00 C ATOM 1456 C VAL A 99 12.465 4.930 5.075 1.00 0.00 C ATOM 1457 O VAL A 99 12.606 5.666 6.050 1.00 0.00 O ATOM 1458 CB VAL A 99 10.731 5.721 3.463 1.00 0.00 C ATOM 1459 CG1 VAL A 99 11.901 5.946 2.517 1.00 0.00 C ATOM 1460 CG2 VAL A 99 9.479 5.331 2.692 1.00 0.00 C ATOM 0 H VAL A 99 9.768 5.496 5.901 1.00 0.00 H new ATOM 0 HA VAL A 99 11.085 3.667 4.020 1.00 0.00 H new ATOM 0 HB VAL A 99 10.531 6.657 3.985 1.00 0.00 H new ATOM 0 HG11 VAL A 99 11.637 6.711 1.787 1.00 0.00 H new ATOM 0 HG12 VAL A 99 12.771 6.273 3.086 1.00 0.00 H new ATOM 0 HG13 VAL A 99 12.135 5.016 1.999 1.00 0.00 H new ATOM 0 HG21 VAL A 99 9.247 6.104 1.959 1.00 0.00 H new ATOM 0 HG22 VAL A 99 9.648 4.384 2.179 1.00 0.00 H new ATOM 0 HG23 VAL A 99 8.644 5.225 3.384 1.00 0.00 H new