USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 744 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 75 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 76 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 48 GLN : amide:sc= 0.11 X(o=-0.48,f=-0.22) USER MOD Set 2.2: A 70 GLN : amide:sc= -0.589 X(o=-0.48,f=-0.22) USER MOD Single : A 9 THR OG1 : rot -130:sc= -1.26 USER MOD Single : A 10 SER OG : rot 170:sc= -0.125 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 172:sc= -0.174 (180deg=-0.473) USER MOD Single : A 23 GLN : amide:sc= -0.528 X(o=-0.53,f=-0.22) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -150:sc= -0.202 USER MOD Single : A 36 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0826) USER MOD Single : A 37 GLN :FLIP amide:sc= -0.0252 F(o=-3.1!,f=-0.025) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN :FLIP amide:sc= -0.371 F(o=-1.8,f=-0.37) USER MOD Single : A 44 LYS NZ :NH3+ 166:sc= -0.0276 (180deg=-0.249) USER MOD Single : A 45 LYS NZ :NH3+ -131:sc= 1.31 (180deg=-0.361) USER MOD Single : A 49 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0103) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 62 LYS NZ :NH3+ -98:sc= 0.445 (180deg=-1.26) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 68 ASN : amide:sc= -0.0325 X(o=-0.033,f=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0.349 X(o=0.35,f=-0.013) USER MOD Single : A 82 GLN : amide:sc= -0.0918 X(o=-0.092,f=-0.078) USER MOD Single : A 85 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000322) USER MOD ----------------------------------------------------------------- ATOM 27 N ARG A 3 0.885 10.169 -7.055 1.00 30.23 N ATOM 28 CA ARG A 3 0.039 8.966 -6.969 1.00 32.15 C ATOM 29 C ARG A 3 0.309 8.197 -5.662 1.00 10.00 C ATOM 30 O ARG A 3 1.468 8.008 -5.267 1.00 41.14 O ATOM 31 CB ARG A 3 0.250 8.051 -8.216 1.00 65.15 C ATOM 32 CG ARG A 3 1.720 7.814 -8.633 1.00 14.11 C ATOM 33 CD ARG A 3 1.847 6.848 -9.831 1.00 12.23 C ATOM 34 NE ARG A 3 0.964 7.208 -10.964 1.00 50.44 N ATOM 35 CZ ARG A 3 1.022 6.667 -12.197 1.00 31.31 C ATOM 36 NH1 ARG A 3 1.936 5.748 -12.501 1.00 62.31 N ATOM 37 NH2 ARG A 3 0.141 7.041 -13.116 1.00 54.44 N ATOM 0 HA ARG A 3 -1.004 9.283 -6.959 1.00 32.15 H new ATOM 0 HB2 ARG A 3 -0.212 7.084 -8.017 1.00 65.15 H new ATOM 0 HB3 ARG A 3 -0.282 8.490 -9.060 1.00 65.15 H new ATOM 0 HG2 ARG A 3 2.180 8.768 -8.890 1.00 14.11 H new ATOM 0 HG3 ARG A 3 2.274 7.411 -7.785 1.00 14.11 H new ATOM 0 HD2 ARG A 3 2.882 6.838 -10.174 1.00 12.23 H new ATOM 0 HD3 ARG A 3 1.610 5.836 -9.501 1.00 12.23 H new ATOM 0 HE ARG A 3 0.255 7.923 -10.798 1.00 50.44 H new ATOM 0 HH11 ARG A 3 2.607 5.443 -11.796 1.00 62.31 H new ATOM 0 HH12 ARG A 3 1.966 5.349 -13.439 1.00 62.31 H new ATOM 0 HH21 ARG A 3 -0.573 7.733 -12.887 1.00 54.44 H new ATOM 0 HH22 ARG A 3 0.177 6.637 -14.052 1.00 54.44 H new ATOM 51 N LEU A 4 -0.779 7.792 -4.979 1.00 12.30 N ATOM 52 CA LEU A 4 -0.720 6.989 -3.749 1.00 54.01 C ATOM 53 C LEU A 4 -1.216 5.565 -4.028 1.00 71.22 C ATOM 54 O LEU A 4 -2.311 5.387 -4.580 1.00 33.03 O ATOM 55 CB LEU A 4 -1.598 7.631 -2.645 1.00 52.24 C ATOM 56 CG LEU A 4 -1.554 6.932 -1.247 1.00 62.23 C ATOM 57 CD1 LEU A 4 -0.132 6.966 -0.658 1.00 70.11 C ATOM 58 CD2 LEU A 4 -2.573 7.563 -0.275 1.00 44.13 C ATOM 0 H LEU A 4 -1.730 8.017 -5.271 1.00 12.30 H new ATOM 0 HA LEU A 4 0.315 6.954 -3.408 1.00 54.01 H new ATOM 0 HB2 LEU A 4 -1.290 8.669 -2.521 1.00 52.24 H new ATOM 0 HB3 LEU A 4 -2.632 7.644 -2.991 1.00 52.24 H new ATOM 0 HG LEU A 4 -1.834 5.888 -1.388 1.00 62.23 H new ATOM 0 HD11 LEU A 4 -0.129 6.473 0.314 1.00 70.11 H new ATOM 0 HD12 LEU A 4 0.552 6.448 -1.329 1.00 70.11 H new ATOM 0 HD13 LEU A 4 0.189 8.001 -0.541 1.00 70.11 H new ATOM 0 HD21 LEU A 4 -2.519 7.056 0.688 1.00 44.13 H new ATOM 0 HD22 LEU A 4 -2.343 8.620 -0.142 1.00 44.13 H new ATOM 0 HD23 LEU A 4 -3.578 7.459 -0.684 1.00 44.13 H new ATOM 70 N VAL A 5 -0.410 4.562 -3.639 1.00 63.42 N ATOM 71 CA VAL A 5 -0.811 3.146 -3.667 1.00 4.24 C ATOM 72 C VAL A 5 -1.006 2.660 -2.237 1.00 3.13 C ATOM 73 O VAL A 5 -0.073 2.704 -1.444 1.00 24.34 O ATOM 74 CB VAL A 5 0.250 2.226 -4.375 1.00 13.42 C ATOM 75 CG1 VAL A 5 -0.192 0.739 -4.375 1.00 71.42 C ATOM 76 CG2 VAL A 5 0.516 2.707 -5.805 1.00 41.42 C ATOM 0 H VAL A 5 0.539 4.711 -3.296 1.00 63.42 H new ATOM 0 HA VAL A 5 -1.736 3.081 -4.240 1.00 4.24 H new ATOM 0 HB VAL A 5 1.177 2.296 -3.805 1.00 13.42 H new ATOM 0 HG11 VAL A 5 0.566 0.134 -4.873 1.00 71.42 H new ATOM 0 HG12 VAL A 5 -0.314 0.396 -3.348 1.00 71.42 H new ATOM 0 HG13 VAL A 5 -1.140 0.641 -4.905 1.00 71.42 H new ATOM 0 HG21 VAL A 5 1.253 2.057 -6.276 1.00 41.42 H new ATOM 0 HG22 VAL A 5 -0.412 2.679 -6.377 1.00 41.42 H new ATOM 0 HG23 VAL A 5 0.896 3.728 -5.781 1.00 41.42 H new ATOM 86 N VAL A 6 -2.209 2.195 -1.908 1.00 64.23 N ATOM 87 CA VAL A 6 -2.488 1.597 -0.604 1.00 61.32 C ATOM 88 C VAL A 6 -2.394 0.074 -0.742 1.00 23.43 C ATOM 89 O VAL A 6 -3.277 -0.559 -1.319 1.00 64.13 O ATOM 90 CB VAL A 6 -3.893 2.026 -0.059 1.00 71.13 C ATOM 91 CG1 VAL A 6 -4.152 1.411 1.335 1.00 13.41 C ATOM 92 CG2 VAL A 6 -4.020 3.569 -0.025 1.00 40.54 C ATOM 0 H VAL A 6 -3.014 2.222 -2.534 1.00 64.23 H new ATOM 0 HA VAL A 6 -1.754 1.952 0.119 1.00 61.32 H new ATOM 0 HB VAL A 6 -4.655 1.644 -0.738 1.00 71.13 H new ATOM 0 HG11 VAL A 6 -5.133 1.722 1.694 1.00 13.41 H new ATOM 0 HG12 VAL A 6 -4.120 0.324 1.265 1.00 13.41 H new ATOM 0 HG13 VAL A 6 -3.386 1.752 2.031 1.00 13.41 H new ATOM 0 HG21 VAL A 6 -5.003 3.845 0.357 1.00 40.54 H new ATOM 0 HG22 VAL A 6 -3.249 3.983 0.625 1.00 40.54 H new ATOM 0 HG23 VAL A 6 -3.897 3.966 -1.032 1.00 40.54 H new ATOM 102 N VAL A 7 -1.287 -0.500 -0.269 1.00 20.25 N ATOM 103 CA VAL A 7 -1.038 -1.938 -0.362 1.00 11.33 C ATOM 104 C VAL A 7 -1.621 -2.643 0.880 1.00 32.54 C ATOM 105 O VAL A 7 -1.239 -2.336 2.009 1.00 12.43 O ATOM 106 CB VAL A 7 0.491 -2.249 -0.486 1.00 1.51 C ATOM 107 CG1 VAL A 7 0.746 -3.738 -0.789 1.00 34.33 C ATOM 108 CG2 VAL A 7 1.187 -1.336 -1.523 1.00 44.12 C ATOM 0 H VAL A 7 -0.538 0.019 0.189 1.00 20.25 H new ATOM 0 HA VAL A 7 -1.527 -2.311 -1.262 1.00 11.33 H new ATOM 0 HB VAL A 7 0.936 -2.030 0.485 1.00 1.51 H new ATOM 0 HG11 VAL A 7 1.819 -3.915 -0.868 1.00 34.33 H new ATOM 0 HG12 VAL A 7 0.336 -4.348 0.016 1.00 34.33 H new ATOM 0 HG13 VAL A 7 0.264 -4.006 -1.729 1.00 34.33 H new ATOM 0 HG21 VAL A 7 2.246 -1.587 -1.576 1.00 44.12 H new ATOM 0 HG22 VAL A 7 0.730 -1.483 -2.502 1.00 44.12 H new ATOM 0 HG23 VAL A 7 1.076 -0.294 -1.223 1.00 44.12 H new ATOM 118 N VAL A 8 -2.528 -3.591 0.643 1.00 5.42 N ATOM 119 CA VAL A 8 -3.251 -4.340 1.680 1.00 51.33 C ATOM 120 C VAL A 8 -2.914 -5.831 1.546 1.00 11.01 C ATOM 121 O VAL A 8 -2.509 -6.286 0.472 1.00 42.13 O ATOM 122 CB VAL A 8 -4.807 -4.132 1.543 1.00 52.34 C ATOM 123 CG1 VAL A 8 -5.208 -2.663 1.822 1.00 11.33 C ATOM 124 CG2 VAL A 8 -5.297 -4.581 0.146 1.00 31.04 C ATOM 0 H VAL A 8 -2.790 -3.870 -0.303 1.00 5.42 H new ATOM 0 HA VAL A 8 -2.944 -3.973 2.659 1.00 51.33 H new ATOM 0 HB VAL A 8 -5.293 -4.754 2.294 1.00 52.34 H new ATOM 0 HG11 VAL A 8 -6.288 -2.555 1.719 1.00 11.33 H new ATOM 0 HG12 VAL A 8 -4.911 -2.391 2.835 1.00 11.33 H new ATOM 0 HG13 VAL A 8 -4.708 -2.008 1.109 1.00 11.33 H new ATOM 0 HG21 VAL A 8 -6.374 -4.429 0.072 1.00 31.04 H new ATOM 0 HG22 VAL A 8 -4.794 -3.994 -0.622 1.00 31.04 H new ATOM 0 HG23 VAL A 8 -5.069 -5.637 0.002 1.00 31.04 H new ATOM 134 N THR A 9 -3.076 -6.585 2.636 1.00 61.04 N ATOM 135 CA THR A 9 -2.847 -8.048 2.648 1.00 5.32 C ATOM 136 C THR A 9 -4.195 -8.790 2.874 1.00 71.13 C ATOM 137 O THR A 9 -4.234 -9.986 3.180 1.00 41.15 O ATOM 138 CB THR A 9 -1.775 -8.387 3.746 1.00 44.14 C ATOM 139 OG1 THR A 9 -0.705 -7.429 3.657 1.00 33.24 O ATOM 140 CG2 THR A 9 -1.163 -9.790 3.604 1.00 73.41 C ATOM 0 H THR A 9 -3.369 -6.208 3.537 1.00 61.04 H new ATOM 0 HA THR A 9 -2.457 -8.387 1.688 1.00 5.32 H new ATOM 0 HB THR A 9 -2.292 -8.352 4.705 1.00 44.14 H new ATOM 0 HG1 THR A 9 0.154 -7.900 3.630 1.00 33.24 H new ATOM 0 HG21 THR A 9 -0.433 -9.950 4.397 1.00 73.41 H new ATOM 0 HG22 THR A 9 -1.951 -10.540 3.679 1.00 73.41 H new ATOM 0 HG23 THR A 9 -0.671 -9.876 2.635 1.00 73.41 H new ATOM 148 N SER A 10 -5.312 -8.059 2.668 1.00 65.22 N ATOM 149 CA SER A 10 -6.679 -8.599 2.790 1.00 30.41 C ATOM 150 C SER A 10 -7.624 -7.860 1.825 1.00 31.14 C ATOM 151 O SER A 10 -7.532 -6.634 1.691 1.00 13.32 O ATOM 152 CB SER A 10 -7.175 -8.441 4.249 1.00 73.12 C ATOM 153 OG SER A 10 -8.529 -8.842 4.400 1.00 44.24 O ATOM 0 H SER A 10 -5.288 -7.072 2.411 1.00 65.22 H new ATOM 0 HA SER A 10 -6.671 -9.658 2.531 1.00 30.41 H new ATOM 0 HB2 SER A 10 -6.546 -9.035 4.912 1.00 73.12 H new ATOM 0 HB3 SER A 10 -7.069 -7.401 4.557 1.00 73.12 H new ATOM 0 HG SER A 10 -8.754 -8.881 5.353 1.00 44.24 H new ATOM 159 N GLU A 11 -8.527 -8.623 1.159 1.00 3.15 N ATOM 160 CA GLU A 11 -9.583 -8.059 0.282 1.00 65.23 C ATOM 161 C GLU A 11 -10.629 -7.291 1.109 1.00 32.34 C ATOM 162 O GLU A 11 -11.281 -6.375 0.601 1.00 13.21 O ATOM 163 CB GLU A 11 -10.300 -9.160 -0.546 1.00 65.11 C ATOM 164 CG GLU A 11 -9.409 -9.896 -1.558 1.00 44.24 C ATOM 165 CD GLU A 11 -10.218 -10.783 -2.520 1.00 72.41 C ATOM 166 OE1 GLU A 11 -10.685 -10.275 -3.564 1.00 74.42 O ATOM 167 OE2 GLU A 11 -10.408 -11.985 -2.237 1.00 40.33 O ATOM 0 H GLU A 11 -8.543 -9.641 1.215 1.00 3.15 H new ATOM 0 HA GLU A 11 -9.086 -7.376 -0.407 1.00 65.23 H new ATOM 0 HB2 GLU A 11 -10.724 -9.892 0.141 1.00 65.11 H new ATOM 0 HB3 GLU A 11 -11.133 -8.706 -1.082 1.00 65.11 H new ATOM 0 HG2 GLU A 11 -8.840 -9.166 -2.134 1.00 44.24 H new ATOM 0 HG3 GLU A 11 -8.687 -10.512 -1.021 1.00 44.24 H new ATOM 174 N GLN A 12 -10.774 -7.705 2.378 1.00 70.42 N ATOM 175 CA GLN A 12 -11.671 -7.061 3.351 1.00 34.22 C ATOM 176 C GLN A 12 -11.182 -5.631 3.656 1.00 64.03 C ATOM 177 O GLN A 12 -11.989 -4.700 3.786 1.00 70.32 O ATOM 178 CB GLN A 12 -11.735 -7.917 4.643 1.00 44.34 C ATOM 179 CG GLN A 12 -12.296 -9.331 4.427 1.00 41.14 C ATOM 180 CD GLN A 12 -12.174 -10.219 5.665 1.00 70.24 C ATOM 181 OE1 GLN A 12 -13.057 -10.243 6.518 1.00 73.42 O ATOM 182 NE2 GLN A 12 -11.065 -10.940 5.782 1.00 45.52 N ATOM 0 H GLN A 12 -10.267 -8.503 2.761 1.00 70.42 H new ATOM 0 HA GLN A 12 -12.675 -6.991 2.932 1.00 34.22 H new ATOM 0 HB2 GLN A 12 -10.733 -7.995 5.065 1.00 44.34 H new ATOM 0 HB3 GLN A 12 -12.352 -7.401 5.379 1.00 44.34 H new ATOM 0 HG2 GLN A 12 -13.345 -9.259 4.140 1.00 41.14 H new ATOM 0 HG3 GLN A 12 -11.770 -9.801 3.596 1.00 41.14 H new ATOM 0 HE21 GLN A 12 -10.350 -10.898 5.056 1.00 45.52 H new ATOM 0 HE22 GLN A 12 -10.928 -11.536 6.598 1.00 45.52 H new ATOM 191 N LEU A 13 -9.845 -5.479 3.745 1.00 1.31 N ATOM 192 CA LEU A 13 -9.194 -4.166 3.897 1.00 4.21 C ATOM 193 C LEU A 13 -9.174 -3.410 2.553 1.00 25.41 C ATOM 194 O LEU A 13 -9.298 -2.191 2.542 1.00 24.34 O ATOM 195 CB LEU A 13 -7.749 -4.326 4.456 1.00 2.53 C ATOM 196 CG LEU A 13 -7.627 -5.019 5.852 1.00 23.52 C ATOM 197 CD1 LEU A 13 -6.149 -5.118 6.296 1.00 25.13 C ATOM 198 CD2 LEU A 13 -8.490 -4.303 6.919 1.00 52.14 C ATOM 0 H LEU A 13 -9.190 -6.261 3.713 1.00 1.31 H new ATOM 0 HA LEU A 13 -9.773 -3.581 4.612 1.00 4.21 H new ATOM 0 HB2 LEU A 13 -7.164 -4.898 3.736 1.00 2.53 H new ATOM 0 HB3 LEU A 13 -7.295 -3.337 4.522 1.00 2.53 H new ATOM 0 HG LEU A 13 -8.013 -6.033 5.751 1.00 23.52 H new ATOM 0 HD11 LEU A 13 -6.093 -5.604 7.270 1.00 25.13 H new ATOM 0 HD12 LEU A 13 -5.588 -5.702 5.566 1.00 25.13 H new ATOM 0 HD13 LEU A 13 -5.722 -4.117 6.365 1.00 25.13 H new ATOM 0 HD21 LEU A 13 -8.381 -4.812 7.877 1.00 52.14 H new ATOM 0 HD22 LEU A 13 -8.162 -3.268 7.018 1.00 52.14 H new ATOM 0 HD23 LEU A 13 -9.536 -4.324 6.614 1.00 52.14 H new ATOM 210 N LYS A 14 -9.054 -4.158 1.431 1.00 55.33 N ATOM 211 CA LYS A 14 -8.975 -3.575 0.072 1.00 21.51 C ATOM 212 C LYS A 14 -10.235 -2.752 -0.251 1.00 31.02 C ATOM 213 O LYS A 14 -10.140 -1.552 -0.518 1.00 32.40 O ATOM 214 CB LYS A 14 -8.770 -4.683 -1.005 1.00 1.55 C ATOM 215 CG LYS A 14 -8.616 -4.150 -2.451 1.00 23.02 C ATOM 216 CD LYS A 14 -8.468 -5.269 -3.511 1.00 21.01 C ATOM 217 CE LYS A 14 -8.376 -4.708 -4.944 1.00 44.31 C ATOM 218 NZ LYS A 14 -8.396 -5.774 -5.985 1.00 33.02 N ATOM 0 H LYS A 14 -9.009 -5.177 1.442 1.00 55.33 H new ATOM 0 HA LYS A 14 -8.111 -2.910 0.052 1.00 21.51 H new ATOM 0 HB2 LYS A 14 -7.883 -5.262 -0.748 1.00 1.55 H new ATOM 0 HB3 LYS A 14 -9.618 -5.367 -0.971 1.00 1.55 H new ATOM 0 HG2 LYS A 14 -9.484 -3.539 -2.699 1.00 23.02 H new ATOM 0 HG3 LYS A 14 -7.743 -3.498 -2.498 1.00 23.02 H new ATOM 0 HD2 LYS A 14 -7.575 -5.856 -3.295 1.00 21.01 H new ATOM 0 HD3 LYS A 14 -9.319 -5.947 -3.442 1.00 21.01 H new ATOM 0 HE2 LYS A 14 -9.207 -4.024 -5.115 1.00 44.31 H new ATOM 0 HE3 LYS A 14 -7.459 -4.127 -5.043 1.00 44.31 H new ATOM 0 HZ1 LYS A 14 -8.332 -5.340 -6.928 1.00 33.02 H new ATOM 0 HZ2 LYS A 14 -7.588 -6.414 -5.843 1.00 33.02 H new ATOM 0 HZ3 LYS A 14 -9.282 -6.314 -5.912 1.00 33.02 H new ATOM 232 N GLU A 15 -11.412 -3.412 -0.158 1.00 41.05 N ATOM 233 CA GLU A 15 -12.715 -2.799 -0.488 1.00 44.52 C ATOM 234 C GLU A 15 -13.046 -1.639 0.465 1.00 13.12 C ATOM 235 O GLU A 15 -13.755 -0.708 0.077 1.00 60.41 O ATOM 236 CB GLU A 15 -13.851 -3.860 -0.466 1.00 3.23 C ATOM 237 CG GLU A 15 -14.075 -4.540 0.899 1.00 1.22 C ATOM 238 CD GLU A 15 -15.247 -5.532 0.892 1.00 11.43 C ATOM 239 OE1 GLU A 15 -15.049 -6.701 0.507 1.00 1.13 O ATOM 240 OE2 GLU A 15 -16.374 -5.150 1.264 1.00 52.21 O ATOM 0 H GLU A 15 -11.483 -4.383 0.148 1.00 41.05 H new ATOM 0 HA GLU A 15 -12.640 -2.395 -1.498 1.00 44.52 H new ATOM 0 HB2 GLU A 15 -14.781 -3.382 -0.775 1.00 3.23 H new ATOM 0 HB3 GLU A 15 -13.626 -4.628 -1.206 1.00 3.23 H new ATOM 0 HG2 GLU A 15 -13.165 -5.064 1.191 1.00 1.22 H new ATOM 0 HG3 GLU A 15 -14.259 -3.775 1.654 1.00 1.22 H new ATOM 247 N GLU A 16 -12.511 -1.702 1.696 1.00 32.34 N ATOM 248 CA GLU A 16 -12.681 -0.645 2.698 1.00 54.10 C ATOM 249 C GLU A 16 -11.981 0.646 2.239 1.00 75.14 C ATOM 250 O GLU A 16 -12.598 1.714 2.201 1.00 65.50 O ATOM 251 CB GLU A 16 -12.140 -1.133 4.070 1.00 10.24 C ATOM 252 CG GLU A 16 -12.282 -0.127 5.238 1.00 34.10 C ATOM 253 CD GLU A 16 -13.731 0.342 5.483 1.00 51.44 C ATOM 254 OE1 GLU A 16 -14.584 -0.501 5.844 1.00 71.31 O ATOM 255 OE2 GLU A 16 -14.027 1.546 5.316 1.00 70.22 O ATOM 0 H GLU A 16 -11.949 -2.489 2.021 1.00 32.34 H new ATOM 0 HA GLU A 16 -13.741 -0.419 2.812 1.00 54.10 H new ATOM 0 HB2 GLU A 16 -12.660 -2.052 4.340 1.00 10.24 H new ATOM 0 HB3 GLU A 16 -11.086 -1.385 3.956 1.00 10.24 H new ATOM 0 HG2 GLU A 16 -11.900 -0.587 6.149 1.00 34.10 H new ATOM 0 HG3 GLU A 16 -11.658 0.743 5.034 1.00 34.10 H new ATOM 262 N VAL A 17 -10.697 0.519 1.861 1.00 4.53 N ATOM 263 CA VAL A 17 -9.895 1.647 1.361 1.00 32.12 C ATOM 264 C VAL A 17 -10.514 2.259 0.089 1.00 34.22 C ATOM 265 O VAL A 17 -10.605 3.475 -0.024 1.00 31.43 O ATOM 266 CB VAL A 17 -8.414 1.233 1.054 1.00 54.23 C ATOM 267 CG1 VAL A 17 -7.586 2.458 0.605 1.00 33.15 C ATOM 268 CG2 VAL A 17 -7.758 0.530 2.264 1.00 71.44 C ATOM 0 H VAL A 17 -10.189 -0.365 1.894 1.00 4.53 H new ATOM 0 HA VAL A 17 -9.892 2.389 2.159 1.00 32.12 H new ATOM 0 HB VAL A 17 -8.433 0.515 0.234 1.00 54.23 H new ATOM 0 HG11 VAL A 17 -6.562 2.148 0.397 1.00 33.15 H new ATOM 0 HG12 VAL A 17 -8.026 2.884 -0.296 1.00 33.15 H new ATOM 0 HG13 VAL A 17 -7.585 3.207 1.397 1.00 33.15 H new ATOM 0 HG21 VAL A 17 -6.733 0.258 2.014 1.00 71.44 H new ATOM 0 HG22 VAL A 17 -7.756 1.205 3.120 1.00 71.44 H new ATOM 0 HG23 VAL A 17 -8.322 -0.369 2.512 1.00 71.44 H new ATOM 278 N ARG A 18 -10.941 1.393 -0.849 1.00 62.40 N ATOM 279 CA ARG A 18 -11.535 1.825 -2.128 1.00 3.12 C ATOM 280 C ARG A 18 -12.888 2.536 -1.909 1.00 15.42 C ATOM 281 O ARG A 18 -13.234 3.446 -2.660 1.00 63.44 O ATOM 282 CB ARG A 18 -11.710 0.618 -3.087 1.00 5.55 C ATOM 283 CG ARG A 18 -10.409 -0.160 -3.369 1.00 14.14 C ATOM 284 CD ARG A 18 -10.616 -1.350 -4.324 1.00 74.13 C ATOM 285 NE ARG A 18 -10.816 -0.928 -5.718 1.00 32.41 N ATOM 286 CZ ARG A 18 -11.433 -1.641 -6.673 1.00 22.43 C ATOM 287 NH1 ARG A 18 -11.953 -2.848 -6.417 1.00 34.05 N ATOM 288 NH2 ARG A 18 -11.486 -1.154 -7.907 1.00 53.34 N ATOM 0 H ARG A 18 -10.885 0.380 -0.743 1.00 62.40 H new ATOM 0 HA ARG A 18 -10.849 2.539 -2.585 1.00 3.12 H new ATOM 0 HB2 ARG A 18 -12.444 -0.066 -2.661 1.00 5.55 H new ATOM 0 HB3 ARG A 18 -12.118 0.976 -4.032 1.00 5.55 H new ATOM 0 HG2 ARG A 18 -9.672 0.519 -3.797 1.00 14.14 H new ATOM 0 HG3 ARG A 18 -9.998 -0.524 -2.427 1.00 14.14 H new ATOM 0 HD2 ARG A 18 -9.750 -2.010 -4.269 1.00 74.13 H new ATOM 0 HD3 ARG A 18 -11.480 -1.928 -3.996 1.00 74.13 H new ATOM 0 HE ARG A 18 -10.454 -0.012 -5.983 1.00 32.41 H new ATOM 0 HH11 ARG A 18 -11.885 -3.244 -5.480 1.00 34.05 H new ATOM 0 HH12 ARG A 18 -12.417 -3.371 -7.159 1.00 34.05 H new ATOM 0 HH21 ARG A 18 -11.062 -0.251 -8.117 1.00 53.34 H new ATOM 0 HH22 ARG A 18 -11.951 -1.683 -8.645 1.00 53.34 H new ATOM 302 N LYS A 19 -13.633 2.103 -0.869 1.00 61.12 N ATOM 303 CA LYS A 19 -14.897 2.743 -0.439 1.00 2.51 C ATOM 304 C LYS A 19 -14.633 4.209 -0.052 1.00 2.12 C ATOM 305 O LYS A 19 -15.269 5.135 -0.570 1.00 3.54 O ATOM 306 CB LYS A 19 -15.495 1.989 0.788 1.00 63.10 C ATOM 307 CG LYS A 19 -16.770 2.639 1.402 1.00 43.50 C ATOM 308 CD LYS A 19 -18.088 2.146 0.766 1.00 21.14 C ATOM 309 CE LYS A 19 -18.399 0.688 1.144 1.00 53.10 C ATOM 310 NZ LYS A 19 -19.696 0.222 0.590 1.00 62.30 N ATOM 0 H LYS A 19 -13.374 1.296 -0.301 1.00 61.12 H new ATOM 0 HA LYS A 19 -15.606 2.702 -1.266 1.00 2.51 H new ATOM 0 HB2 LYS A 19 -15.734 0.969 0.487 1.00 63.10 H new ATOM 0 HB3 LYS A 19 -14.731 1.922 1.562 1.00 63.10 H new ATOM 0 HG2 LYS A 19 -16.793 2.431 2.472 1.00 43.50 H new ATOM 0 HG3 LYS A 19 -16.705 3.721 1.289 1.00 43.50 H new ATOM 0 HD2 LYS A 19 -18.908 2.787 1.088 1.00 21.14 H new ATOM 0 HD3 LYS A 19 -18.022 2.233 -0.319 1.00 21.14 H new ATOM 0 HE2 LYS A 19 -17.599 0.043 0.780 1.00 53.10 H new ATOM 0 HE3 LYS A 19 -18.416 0.593 2.230 1.00 53.10 H new ATOM 0 HZ1 LYS A 19 -19.859 -0.765 0.873 1.00 62.30 H new ATOM 0 HZ2 LYS A 19 -20.465 0.819 0.957 1.00 62.30 H new ATOM 0 HZ3 LYS A 19 -19.673 0.286 -0.448 1.00 62.30 H new ATOM 324 N LYS A 20 -13.663 4.377 0.857 1.00 32.20 N ATOM 325 CA LYS A 20 -13.290 5.685 1.414 1.00 70.44 C ATOM 326 C LYS A 20 -12.657 6.577 0.330 1.00 45.43 C ATOM 327 O LYS A 20 -12.918 7.783 0.270 1.00 42.53 O ATOM 328 CB LYS A 20 -12.292 5.482 2.584 1.00 5.33 C ATOM 329 CG LYS A 20 -12.800 4.540 3.697 1.00 13.12 C ATOM 330 CD LYS A 20 -11.710 4.202 4.743 1.00 34.23 C ATOM 331 CE LYS A 20 -11.273 5.424 5.563 1.00 74.43 C ATOM 332 NZ LYS A 20 -12.394 6.001 6.359 1.00 34.42 N ATOM 0 H LYS A 20 -13.111 3.604 1.229 1.00 32.20 H new ATOM 0 HA LYS A 20 -14.188 6.180 1.783 1.00 70.44 H new ATOM 0 HB2 LYS A 20 -11.359 5.084 2.185 1.00 5.33 H new ATOM 0 HB3 LYS A 20 -12.062 6.453 3.023 1.00 5.33 H new ATOM 0 HG2 LYS A 20 -13.648 5.004 4.200 1.00 13.12 H new ATOM 0 HG3 LYS A 20 -13.163 3.616 3.247 1.00 13.12 H new ATOM 0 HD2 LYS A 20 -12.086 3.433 5.418 1.00 34.23 H new ATOM 0 HD3 LYS A 20 -10.842 3.782 4.234 1.00 34.23 H new ATOM 0 HE2 LYS A 20 -10.463 5.138 6.234 1.00 74.43 H new ATOM 0 HE3 LYS A 20 -10.877 6.186 4.892 1.00 74.43 H new ATOM 0 HZ1 LYS A 20 -12.025 6.735 6.997 1.00 34.42 H new ATOM 0 HZ2 LYS A 20 -13.096 6.421 5.717 1.00 34.42 H new ATOM 0 HZ3 LYS A 20 -12.844 5.250 6.920 1.00 34.42 H new ATOM 346 N PHE A 21 -11.818 5.956 -0.525 1.00 21.23 N ATOM 347 CA PHE A 21 -11.016 6.661 -1.539 1.00 71.34 C ATOM 348 C PHE A 21 -11.061 5.895 -2.884 1.00 11.41 C ATOM 349 O PHE A 21 -10.224 5.012 -3.127 1.00 23.14 O ATOM 350 CB PHE A 21 -9.521 6.816 -1.099 1.00 43.01 C ATOM 351 CG PHE A 21 -9.294 7.041 0.387 1.00 62.54 C ATOM 352 CD1 PHE A 21 -9.585 8.266 0.985 1.00 22.31 C ATOM 353 CD2 PHE A 21 -8.801 6.011 1.192 1.00 72.53 C ATOM 354 CE1 PHE A 21 -9.385 8.447 2.335 1.00 21.31 C ATOM 355 CE2 PHE A 21 -8.603 6.200 2.534 1.00 53.14 C ATOM 356 CZ PHE A 21 -8.896 7.409 3.105 1.00 22.01 C ATOM 0 H PHE A 21 -11.679 4.945 -0.529 1.00 21.23 H new ATOM 0 HA PHE A 21 -11.449 7.655 -1.654 1.00 71.34 H new ATOM 0 HB2 PHE A 21 -8.978 5.920 -1.400 1.00 43.01 H new ATOM 0 HB3 PHE A 21 -9.085 7.652 -1.646 1.00 43.01 H new ATOM 0 HD1 PHE A 21 -9.970 9.078 0.386 1.00 22.31 H new ATOM 0 HD2 PHE A 21 -8.573 5.052 0.750 1.00 72.53 H new ATOM 0 HE1 PHE A 21 -9.610 9.399 2.792 1.00 21.31 H new ATOM 0 HE2 PHE A 21 -8.216 5.395 3.141 1.00 53.14 H new ATOM 0 HZ PHE A 21 -8.744 7.553 4.165 1.00 22.01 H new ATOM 366 N PRO A 22 -12.054 6.191 -3.770 1.00 33.45 N ATOM 367 CA PRO A 22 -11.977 5.807 -5.204 1.00 3.25 C ATOM 368 C PRO A 22 -10.910 6.643 -5.962 1.00 65.32 C ATOM 369 O PRO A 22 -10.622 6.394 -7.138 1.00 43.20 O ATOM 370 CB PRO A 22 -13.419 6.086 -5.733 1.00 30.52 C ATOM 371 CG PRO A 22 -14.268 6.261 -4.498 1.00 10.43 C ATOM 372 CD PRO A 22 -13.346 6.845 -3.451 1.00 43.43 C ATOM 0 HA PRO A 22 -11.671 4.771 -5.350 1.00 3.25 H new ATOM 0 HB2 PRO A 22 -13.443 6.979 -6.357 1.00 30.52 H new ATOM 0 HB3 PRO A 22 -13.780 5.260 -6.345 1.00 30.52 H new ATOM 0 HG2 PRO A 22 -15.111 6.924 -4.692 1.00 10.43 H new ATOM 0 HG3 PRO A 22 -14.682 5.308 -4.168 1.00 10.43 H new ATOM 0 HD2 PRO A 22 -13.282 7.931 -3.525 1.00 43.43 H new ATOM 0 HD3 PRO A 22 -13.680 6.614 -2.440 1.00 43.43 H new ATOM 380 N GLN A 23 -10.356 7.653 -5.265 1.00 41.44 N ATOM 381 CA GLN A 23 -9.325 8.557 -5.795 1.00 14.54 C ATOM 382 C GLN A 23 -7.903 7.939 -5.763 1.00 61.33 C ATOM 383 O GLN A 23 -7.041 8.361 -6.544 1.00 54.00 O ATOM 384 CB GLN A 23 -9.366 9.895 -5.009 1.00 23.43 C ATOM 385 CG GLN A 23 -9.127 9.769 -3.487 1.00 31.25 C ATOM 386 CD GLN A 23 -9.397 11.064 -2.716 1.00 11.00 C ATOM 387 OE1 GLN A 23 -9.238 12.163 -3.244 1.00 52.30 O ATOM 388 NE2 GLN A 23 -9.796 10.943 -1.461 1.00 72.33 N ATOM 0 H GLN A 23 -10.618 7.865 -4.302 1.00 41.44 H new ATOM 0 HA GLN A 23 -9.549 8.737 -6.846 1.00 14.54 H new ATOM 0 HB2 GLN A 23 -8.614 10.566 -5.425 1.00 23.43 H new ATOM 0 HB3 GLN A 23 -10.336 10.364 -5.171 1.00 23.43 H new ATOM 0 HG2 GLN A 23 -9.766 8.980 -3.091 1.00 31.25 H new ATOM 0 HG3 GLN A 23 -8.096 9.461 -3.314 1.00 31.25 H new ATOM 0 HE21 GLN A 23 -9.919 10.017 -1.052 1.00 72.33 H new ATOM 0 HE22 GLN A 23 -9.981 11.776 -0.902 1.00 72.33 H new ATOM 397 N VAL A 24 -7.646 6.950 -4.872 1.00 60.31 N ATOM 398 CA VAL A 24 -6.314 6.289 -4.783 1.00 12.33 C ATOM 399 C VAL A 24 -6.387 4.844 -5.317 1.00 65.11 C ATOM 400 O VAL A 24 -7.446 4.202 -5.260 1.00 32.54 O ATOM 401 CB VAL A 24 -5.715 6.298 -3.317 1.00 62.42 C ATOM 402 CG1 VAL A 24 -5.685 7.732 -2.737 1.00 34.33 C ATOM 403 CG2 VAL A 24 -6.449 5.317 -2.366 1.00 71.10 C ATOM 0 H VAL A 24 -8.334 6.593 -4.209 1.00 60.31 H new ATOM 0 HA VAL A 24 -5.638 6.874 -5.407 1.00 12.33 H new ATOM 0 HB VAL A 24 -4.688 5.942 -3.394 1.00 62.42 H new ATOM 0 HG11 VAL A 24 -5.269 7.708 -1.730 1.00 34.33 H new ATOM 0 HG12 VAL A 24 -5.066 8.368 -3.370 1.00 34.33 H new ATOM 0 HG13 VAL A 24 -6.699 8.132 -2.702 1.00 34.33 H new ATOM 0 HG21 VAL A 24 -5.997 5.364 -1.375 1.00 71.10 H new ATOM 0 HG22 VAL A 24 -7.501 5.594 -2.299 1.00 71.10 H new ATOM 0 HG23 VAL A 24 -6.365 4.302 -2.755 1.00 71.10 H new ATOM 413 N GLU A 25 -5.257 4.354 -5.849 1.00 1.12 N ATOM 414 CA GLU A 25 -5.128 2.978 -6.366 1.00 21.33 C ATOM 415 C GLU A 25 -4.670 2.042 -5.229 1.00 61.43 C ATOM 416 O GLU A 25 -3.800 2.398 -4.440 1.00 25.54 O ATOM 417 CB GLU A 25 -4.151 2.937 -7.588 1.00 61.04 C ATOM 418 CG GLU A 25 -2.828 3.708 -7.397 1.00 42.02 C ATOM 419 CD GLU A 25 -1.885 3.613 -8.609 1.00 74.55 C ATOM 420 OE1 GLU A 25 -1.104 2.639 -8.679 1.00 75.12 O ATOM 421 OE2 GLU A 25 -1.943 4.494 -9.507 1.00 75.41 O ATOM 0 H GLU A 25 -4.401 4.902 -5.934 1.00 1.12 H new ATOM 0 HA GLU A 25 -6.097 2.630 -6.723 1.00 21.33 H new ATOM 0 HB2 GLU A 25 -3.917 1.896 -7.811 1.00 61.04 H new ATOM 0 HB3 GLU A 25 -4.667 3.342 -8.459 1.00 61.04 H new ATOM 0 HG2 GLU A 25 -3.052 4.757 -7.202 1.00 42.02 H new ATOM 0 HG3 GLU A 25 -2.315 3.322 -6.516 1.00 42.02 H new ATOM 428 N VAL A 26 -5.293 0.856 -5.139 1.00 10.41 N ATOM 429 CA VAL A 26 -5.080 -0.105 -4.037 1.00 23.41 C ATOM 430 C VAL A 26 -4.561 -1.439 -4.606 1.00 51.10 C ATOM 431 O VAL A 26 -5.160 -1.992 -5.538 1.00 3.42 O ATOM 432 CB VAL A 26 -6.422 -0.327 -3.232 1.00 74.22 C ATOM 433 CG1 VAL A 26 -6.248 -1.325 -2.065 1.00 63.23 C ATOM 434 CG2 VAL A 26 -6.981 1.020 -2.718 1.00 30.40 C ATOM 0 H VAL A 26 -5.965 0.531 -5.834 1.00 10.41 H new ATOM 0 HA VAL A 26 -4.336 0.299 -3.350 1.00 23.41 H new ATOM 0 HB VAL A 26 -7.141 -0.765 -3.925 1.00 74.22 H new ATOM 0 HG11 VAL A 26 -7.198 -1.444 -1.543 1.00 63.23 H new ATOM 0 HG12 VAL A 26 -5.926 -2.290 -2.456 1.00 63.23 H new ATOM 0 HG13 VAL A 26 -5.497 -0.946 -1.371 1.00 63.23 H new ATOM 0 HG21 VAL A 26 -7.905 0.844 -2.167 1.00 30.40 H new ATOM 0 HG22 VAL A 26 -6.250 1.490 -2.060 1.00 30.40 H new ATOM 0 HG23 VAL A 26 -7.183 1.677 -3.564 1.00 30.40 H new ATOM 444 N ARG A 27 -3.443 -1.947 -4.049 1.00 12.41 N ATOM 445 CA ARG A 27 -2.809 -3.209 -4.484 1.00 51.33 C ATOM 446 C ARG A 27 -2.904 -4.265 -3.365 1.00 34.14 C ATOM 447 O ARG A 27 -2.602 -3.986 -2.218 1.00 31.52 O ATOM 448 CB ARG A 27 -1.320 -2.961 -4.909 1.00 41.30 C ATOM 449 CG ARG A 27 -1.100 -2.791 -6.434 1.00 71.03 C ATOM 450 CD ARG A 27 -1.499 -4.061 -7.212 1.00 35.34 C ATOM 451 NE ARG A 27 -1.284 -3.953 -8.668 1.00 70.25 N ATOM 452 CZ ARG A 27 -2.125 -4.414 -9.612 1.00 64.11 C ATOM 453 NH1 ARG A 27 -3.269 -5.014 -9.283 1.00 32.33 N ATOM 454 NH2 ARG A 27 -1.814 -4.274 -10.893 1.00 40.02 N ATOM 0 H ARG A 27 -2.952 -1.491 -3.280 1.00 12.41 H new ATOM 0 HA ARG A 27 -3.342 -3.589 -5.355 1.00 51.33 H new ATOM 0 HB2 ARG A 27 -0.956 -2.068 -4.402 1.00 41.30 H new ATOM 0 HB3 ARG A 27 -0.713 -3.796 -4.559 1.00 41.30 H new ATOM 0 HG2 ARG A 27 -1.685 -1.945 -6.794 1.00 71.03 H new ATOM 0 HG3 ARG A 27 -0.052 -2.560 -6.627 1.00 71.03 H new ATOM 0 HD2 ARG A 27 -0.926 -4.906 -6.830 1.00 35.34 H new ATOM 0 HD3 ARG A 27 -2.551 -4.277 -7.023 1.00 35.34 H new ATOM 0 HE ARG A 27 -0.430 -3.493 -8.984 1.00 70.25 H new ATOM 0 HH11 ARG A 27 -3.520 -5.130 -8.301 1.00 32.33 H new ATOM 0 HH12 ARG A 27 -3.893 -5.357 -10.013 1.00 32.33 H new ATOM 0 HH21 ARG A 27 -0.941 -3.819 -11.159 1.00 40.02 H new ATOM 0 HH22 ARG A 27 -2.448 -4.622 -11.613 1.00 40.02 H new ATOM 468 N LEU A 28 -3.325 -5.471 -3.740 1.00 44.33 N ATOM 469 CA LEU A 28 -3.496 -6.619 -2.839 1.00 25.03 C ATOM 470 C LEU A 28 -2.215 -7.484 -2.811 1.00 23.34 C ATOM 471 O LEU A 28 -1.486 -7.553 -3.800 1.00 13.23 O ATOM 472 CB LEU A 28 -4.711 -7.457 -3.322 1.00 61.40 C ATOM 473 CG LEU A 28 -5.068 -8.711 -2.470 1.00 35.33 C ATOM 474 CD1 LEU A 28 -5.503 -8.317 -1.047 1.00 52.51 C ATOM 475 CD2 LEU A 28 -6.144 -9.561 -3.172 1.00 65.44 C ATOM 0 H LEU A 28 -3.565 -5.687 -4.707 1.00 44.33 H new ATOM 0 HA LEU A 28 -3.678 -6.263 -1.825 1.00 25.03 H new ATOM 0 HB2 LEU A 28 -5.584 -6.806 -3.354 1.00 61.40 H new ATOM 0 HB3 LEU A 28 -4.518 -7.782 -4.344 1.00 61.40 H new ATOM 0 HG LEU A 28 -4.169 -9.320 -2.376 1.00 35.33 H new ATOM 0 HD11 LEU A 28 -5.745 -9.215 -0.479 1.00 52.51 H new ATOM 0 HD12 LEU A 28 -4.691 -7.783 -0.553 1.00 52.51 H new ATOM 0 HD13 LEU A 28 -6.381 -7.673 -1.100 1.00 52.51 H new ATOM 0 HD21 LEU A 28 -6.377 -10.431 -2.559 1.00 65.44 H new ATOM 0 HD22 LEU A 28 -7.045 -8.964 -3.312 1.00 65.44 H new ATOM 0 HD23 LEU A 28 -5.772 -9.890 -4.142 1.00 65.44 H new ATOM 487 N VAL A 29 -1.925 -8.087 -1.648 1.00 74.44 N ATOM 488 CA VAL A 29 -0.838 -9.070 -1.473 1.00 4.22 C ATOM 489 C VAL A 29 -1.418 -10.372 -0.887 1.00 52.03 C ATOM 490 O VAL A 29 -1.810 -10.419 0.285 1.00 75.02 O ATOM 491 CB VAL A 29 0.316 -8.497 -0.557 1.00 23.23 C ATOM 492 CG1 VAL A 29 1.345 -9.581 -0.155 1.00 62.44 C ATOM 493 CG2 VAL A 29 1.023 -7.316 -1.259 1.00 31.02 C ATOM 0 H VAL A 29 -2.444 -7.905 -0.789 1.00 74.44 H new ATOM 0 HA VAL A 29 -0.395 -9.282 -2.446 1.00 4.22 H new ATOM 0 HB VAL A 29 -0.150 -8.142 0.362 1.00 23.23 H new ATOM 0 HG11 VAL A 29 2.116 -9.135 0.473 1.00 62.44 H new ATOM 0 HG12 VAL A 29 0.841 -10.374 0.397 1.00 62.44 H new ATOM 0 HG13 VAL A 29 1.804 -9.998 -1.052 1.00 62.44 H new ATOM 0 HG21 VAL A 29 1.815 -6.932 -0.616 1.00 31.02 H new ATOM 0 HG22 VAL A 29 1.453 -7.657 -2.201 1.00 31.02 H new ATOM 0 HG23 VAL A 29 0.300 -6.524 -1.456 1.00 31.02 H new ATOM 503 N THR A 30 -1.532 -11.404 -1.740 1.00 20.14 N ATOM 504 CA THR A 30 -1.974 -12.759 -1.345 1.00 4.32 C ATOM 505 C THR A 30 -0.753 -13.638 -0.997 1.00 70.02 C ATOM 506 O THR A 30 -0.754 -14.385 -0.012 1.00 71.11 O ATOM 507 CB THR A 30 -2.795 -13.429 -2.502 1.00 14.34 C ATOM 508 OG1 THR A 30 -2.045 -13.364 -3.725 1.00 72.22 O ATOM 509 CG2 THR A 30 -4.155 -12.750 -2.721 1.00 33.04 C ATOM 0 H THR A 30 -1.318 -11.324 -2.734 1.00 20.14 H new ATOM 0 HA THR A 30 -2.613 -12.669 -0.466 1.00 4.32 H new ATOM 0 HB THR A 30 -2.976 -14.464 -2.211 1.00 14.34 H new ATOM 0 HG1 THR A 30 -2.558 -13.784 -4.446 1.00 72.22 H new ATOM 0 HG21 THR A 30 -4.685 -13.250 -3.532 1.00 33.04 H new ATOM 0 HG22 THR A 30 -4.746 -12.815 -1.807 1.00 33.04 H new ATOM 0 HG23 THR A 30 -4.001 -11.702 -2.980 1.00 33.04 H new ATOM 517 N THR A 31 0.281 -13.525 -1.839 1.00 12.24 N ATOM 518 CA THR A 31 1.556 -14.254 -1.714 1.00 51.40 C ATOM 519 C THR A 31 2.715 -13.245 -1.689 1.00 23.21 C ATOM 520 O THR A 31 2.506 -12.053 -1.956 1.00 53.22 O ATOM 521 CB THR A 31 1.762 -15.232 -2.926 1.00 71.30 C ATOM 522 OG1 THR A 31 1.721 -14.495 -4.155 1.00 61.52 O ATOM 523 CG2 THR A 31 0.704 -16.343 -2.993 1.00 33.44 C ATOM 0 H THR A 31 0.257 -12.907 -2.650 1.00 12.24 H new ATOM 0 HA THR A 31 1.534 -14.834 -0.792 1.00 51.40 H new ATOM 0 HB THR A 31 2.733 -15.705 -2.778 1.00 71.30 H new ATOM 0 HG1 THR A 31 1.376 -15.070 -4.870 1.00 61.52 H new ATOM 0 HG21 THR A 31 0.903 -16.984 -3.852 1.00 33.44 H new ATOM 0 HG22 THR A 31 0.742 -16.938 -2.080 1.00 33.44 H new ATOM 0 HG23 THR A 31 -0.286 -15.897 -3.094 1.00 33.44 H new ATOM 531 N GLU A 32 3.939 -13.732 -1.397 1.00 20.15 N ATOM 532 CA GLU A 32 5.162 -12.929 -1.556 1.00 35.14 C ATOM 533 C GLU A 32 5.392 -12.659 -3.049 1.00 72.02 C ATOM 534 O GLU A 32 5.840 -11.588 -3.407 1.00 30.11 O ATOM 535 CB GLU A 32 6.401 -13.619 -0.922 1.00 0.23 C ATOM 536 CG GLU A 32 7.712 -12.795 -1.023 1.00 54.11 C ATOM 537 CD GLU A 32 8.935 -13.518 -0.447 1.00 32.14 C ATOM 538 OE1 GLU A 32 9.398 -14.495 -1.072 1.00 13.11 O ATOM 539 OE2 GLU A 32 9.464 -13.095 0.606 1.00 31.33 O ATOM 0 H GLU A 32 4.103 -14.677 -1.050 1.00 20.15 H new ATOM 0 HA GLU A 32 5.027 -11.986 -1.027 1.00 35.14 H new ATOM 0 HB2 GLU A 32 6.192 -13.820 0.129 1.00 0.23 H new ATOM 0 HB3 GLU A 32 6.553 -14.583 -1.407 1.00 0.23 H new ATOM 0 HG2 GLU A 32 7.901 -12.555 -2.069 1.00 54.11 H new ATOM 0 HG3 GLU A 32 7.579 -11.849 -0.498 1.00 54.11 H new ATOM 546 N GLU A 33 5.033 -13.644 -3.906 1.00 0.20 N ATOM 547 CA GLU A 33 5.019 -13.485 -5.380 1.00 22.31 C ATOM 548 C GLU A 33 4.177 -12.257 -5.803 1.00 44.25 C ATOM 549 O GLU A 33 4.589 -11.472 -6.662 1.00 32.12 O ATOM 550 CB GLU A 33 4.433 -14.765 -6.038 1.00 32.42 C ATOM 551 CG GLU A 33 5.322 -16.018 -5.947 1.00 12.34 C ATOM 552 CD GLU A 33 6.526 -15.984 -6.905 1.00 4.53 C ATOM 553 OE1 GLU A 33 6.377 -16.409 -8.076 1.00 61.32 O ATOM 554 OE2 GLU A 33 7.620 -15.522 -6.505 1.00 52.34 O ATOM 0 H GLU A 33 4.745 -14.572 -3.595 1.00 0.20 H new ATOM 0 HA GLU A 33 6.045 -13.330 -5.715 1.00 22.31 H new ATOM 0 HB2 GLU A 33 3.473 -14.986 -5.572 1.00 32.42 H new ATOM 0 HB3 GLU A 33 4.236 -14.555 -7.089 1.00 32.42 H new ATOM 0 HG2 GLU A 33 5.684 -16.124 -4.924 1.00 12.34 H new ATOM 0 HG3 GLU A 33 4.719 -16.899 -6.165 1.00 12.34 H new ATOM 561 N ASP A 34 3.010 -12.101 -5.151 1.00 62.53 N ATOM 562 CA ASP A 34 2.063 -11.012 -5.427 1.00 62.05 C ATOM 563 C ASP A 34 2.634 -9.674 -4.934 1.00 0.41 C ATOM 564 O ASP A 34 2.474 -8.645 -5.591 1.00 55.53 O ATOM 565 CB ASP A 34 0.691 -11.318 -4.762 1.00 12.14 C ATOM 566 CG ASP A 34 -0.500 -10.511 -5.318 1.00 41.54 C ATOM 567 OD1 ASP A 34 -0.418 -9.987 -6.455 1.00 73.14 O ATOM 568 OD2 ASP A 34 -1.554 -10.445 -4.639 1.00 33.52 O ATOM 0 H ASP A 34 2.698 -12.733 -4.413 1.00 62.53 H new ATOM 0 HA ASP A 34 1.909 -10.935 -6.503 1.00 62.05 H new ATOM 0 HB2 ASP A 34 0.477 -12.380 -4.880 1.00 12.14 H new ATOM 0 HB3 ASP A 34 0.772 -11.126 -3.692 1.00 12.14 H new ATOM 573 N ALA A 35 3.340 -9.733 -3.784 1.00 12.22 N ATOM 574 CA ALA A 35 4.067 -8.587 -3.223 1.00 62.31 C ATOM 575 C ALA A 35 5.176 -8.123 -4.182 1.00 32.12 C ATOM 576 O ALA A 35 5.358 -6.932 -4.367 1.00 13.55 O ATOM 577 CB ALA A 35 4.668 -8.935 -1.854 1.00 11.34 C ATOM 0 H ALA A 35 3.418 -10.581 -3.222 1.00 12.22 H new ATOM 0 HA ALA A 35 3.354 -7.773 -3.092 1.00 62.31 H new ATOM 0 HB1 ALA A 35 5.201 -8.070 -1.460 1.00 11.34 H new ATOM 0 HB2 ALA A 35 3.869 -9.213 -1.166 1.00 11.34 H new ATOM 0 HB3 ALA A 35 5.361 -9.770 -1.962 1.00 11.34 H new ATOM 583 N LYS A 36 5.885 -9.090 -4.801 1.00 73.31 N ATOM 584 CA LYS A 36 6.985 -8.827 -5.755 1.00 10.53 C ATOM 585 C LYS A 36 6.462 -8.131 -7.023 1.00 2.42 C ATOM 586 O LYS A 36 7.133 -7.244 -7.568 1.00 14.34 O ATOM 587 CB LYS A 36 7.693 -10.158 -6.122 1.00 40.42 C ATOM 588 CG LYS A 36 8.417 -10.835 -4.933 1.00 75.24 C ATOM 589 CD LYS A 36 8.811 -12.302 -5.221 1.00 74.52 C ATOM 590 CE LYS A 36 9.794 -12.444 -6.391 1.00 11.12 C ATOM 591 NZ LYS A 36 11.059 -11.708 -6.141 1.00 32.11 N ATOM 0 H LYS A 36 5.709 -10.084 -4.652 1.00 73.31 H new ATOM 0 HA LYS A 36 7.703 -8.159 -5.279 1.00 10.53 H new ATOM 0 HB2 LYS A 36 6.955 -10.851 -6.527 1.00 40.42 H new ATOM 0 HB3 LYS A 36 8.417 -9.966 -6.913 1.00 40.42 H new ATOM 0 HG2 LYS A 36 9.314 -10.265 -4.689 1.00 75.24 H new ATOM 0 HG3 LYS A 36 7.771 -10.804 -4.056 1.00 75.24 H new ATOM 0 HD2 LYS A 36 9.257 -12.734 -4.325 1.00 74.52 H new ATOM 0 HD3 LYS A 36 7.911 -12.877 -5.439 1.00 74.52 H new ATOM 0 HE2 LYS A 36 10.014 -13.499 -6.555 1.00 11.12 H new ATOM 0 HE3 LYS A 36 9.330 -12.069 -7.303 1.00 11.12 H new ATOM 0 HZ1 LYS A 36 11.741 -11.923 -6.896 1.00 32.11 H new ATOM 0 HZ2 LYS A 36 10.869 -10.686 -6.127 1.00 32.11 H new ATOM 0 HZ3 LYS A 36 11.454 -11.999 -5.224 1.00 32.11 H new ATOM 605 N GLN A 37 5.253 -8.549 -7.472 1.00 75.50 N ATOM 606 CA GLN A 37 4.540 -7.893 -8.586 1.00 11.21 C ATOM 607 C GLN A 37 4.284 -6.414 -8.247 1.00 43.05 C ATOM 608 O GLN A 37 4.598 -5.530 -9.044 1.00 34.23 O ATOM 609 CB GLN A 37 3.185 -8.585 -8.906 1.00 1.51 C ATOM 610 CG GLN A 37 3.263 -10.053 -9.343 1.00 65.54 C ATOM 611 CD GLN A 37 1.902 -10.591 -9.805 1.00 42.33 C ATOM 612 OE1 GLN A 37 1.101 -11.104 -8.881 1.00 22.04 O flip ATOM 613 NE2 GLN A 37 1.559 -10.510 -10.986 1.00 14.43 N flip ATOM 0 H GLN A 37 4.752 -9.343 -7.074 1.00 75.50 H new ATOM 0 HA GLN A 37 5.176 -7.975 -9.467 1.00 11.21 H new ATOM 0 HB2 GLN A 37 2.551 -8.524 -8.021 1.00 1.51 H new ATOM 0 HB3 GLN A 37 2.688 -8.019 -9.694 1.00 1.51 H new ATOM 0 HG2 GLN A 37 3.985 -10.152 -10.153 1.00 65.54 H new ATOM 0 HG3 GLN A 37 3.629 -10.659 -8.514 1.00 65.54 H new ATOM 0 HE21 GLN A 37 2.196 -10.111 -11.676 1.00 14.43 H new ATOM 0 HE22 GLN A 37 0.638 -10.842 -11.274 1.00 14.43 H new ATOM 622 N VAL A 38 3.746 -6.178 -7.027 1.00 24.34 N ATOM 623 CA VAL A 38 3.433 -4.834 -6.512 1.00 55.13 C ATOM 624 C VAL A 38 4.706 -3.958 -6.433 1.00 74.01 C ATOM 625 O VAL A 38 4.698 -2.838 -6.917 1.00 12.55 O ATOM 626 CB VAL A 38 2.729 -4.904 -5.097 1.00 11.20 C ATOM 627 CG1 VAL A 38 2.462 -3.496 -4.520 1.00 45.04 C ATOM 628 CG2 VAL A 38 1.411 -5.712 -5.170 1.00 64.33 C ATOM 0 H VAL A 38 3.517 -6.925 -6.371 1.00 24.34 H new ATOM 0 HA VAL A 38 2.738 -4.374 -7.214 1.00 55.13 H new ATOM 0 HB VAL A 38 3.415 -5.418 -4.424 1.00 11.20 H new ATOM 0 HG11 VAL A 38 1.978 -3.587 -3.548 1.00 45.04 H new ATOM 0 HG12 VAL A 38 3.407 -2.964 -4.406 1.00 45.04 H new ATOM 0 HG13 VAL A 38 1.813 -2.942 -5.198 1.00 45.04 H new ATOM 0 HG21 VAL A 38 0.949 -5.744 -4.183 1.00 64.33 H new ATOM 0 HG22 VAL A 38 0.730 -5.235 -5.875 1.00 64.33 H new ATOM 0 HG23 VAL A 38 1.625 -6.728 -5.503 1.00 64.33 H new ATOM 638 N ILE A 39 5.800 -4.523 -5.876 1.00 21.54 N ATOM 639 CA ILE A 39 7.081 -3.813 -5.654 1.00 44.40 C ATOM 640 C ILE A 39 7.662 -3.288 -6.984 1.00 44.22 C ATOM 641 O ILE A 39 7.982 -2.098 -7.110 1.00 44.10 O ATOM 642 CB ILE A 39 8.144 -4.750 -4.954 1.00 32.40 C ATOM 643 CG1 ILE A 39 7.725 -5.121 -3.501 1.00 73.33 C ATOM 644 CG2 ILE A 39 9.547 -4.111 -4.951 1.00 54.12 C ATOM 645 CD1 ILE A 39 8.643 -6.124 -2.814 1.00 73.31 C ATOM 0 H ILE A 39 5.820 -5.494 -5.565 1.00 21.54 H new ATOM 0 HA ILE A 39 6.868 -2.969 -4.998 1.00 44.40 H new ATOM 0 HB ILE A 39 8.182 -5.668 -5.541 1.00 32.40 H new ATOM 0 HG12 ILE A 39 7.691 -4.210 -2.903 1.00 73.33 H new ATOM 0 HG13 ILE A 39 6.714 -5.528 -3.521 1.00 73.33 H new ATOM 0 HG21 ILE A 39 10.252 -4.783 -4.462 1.00 54.12 H new ATOM 0 HG22 ILE A 39 9.868 -3.933 -5.977 1.00 54.12 H new ATOM 0 HG23 ILE A 39 9.514 -3.164 -4.412 1.00 54.12 H new ATOM 0 HD11 ILE A 39 8.275 -6.324 -1.807 1.00 73.31 H new ATOM 0 HD12 ILE A 39 8.660 -7.052 -3.385 1.00 73.31 H new ATOM 0 HD13 ILE A 39 9.652 -5.715 -2.757 1.00 73.31 H new ATOM 657 N LYS A 40 7.770 -4.195 -7.974 1.00 74.43 N ATOM 658 CA LYS A 40 8.323 -3.865 -9.296 1.00 10.35 C ATOM 659 C LYS A 40 7.407 -2.885 -10.053 1.00 42.21 C ATOM 660 O LYS A 40 7.897 -2.046 -10.807 1.00 31.21 O ATOM 661 CB LYS A 40 8.547 -5.142 -10.144 1.00 35.52 C ATOM 662 CG LYS A 40 9.606 -6.110 -9.574 1.00 22.42 C ATOM 663 CD LYS A 40 9.853 -7.318 -10.514 1.00 51.12 C ATOM 664 CE LYS A 40 10.411 -6.901 -11.891 1.00 12.44 C ATOM 665 NZ LYS A 40 10.529 -8.053 -12.831 1.00 62.21 N ATOM 0 H LYS A 40 7.478 -5.168 -7.879 1.00 74.43 H new ATOM 0 HA LYS A 40 9.287 -3.384 -9.133 1.00 10.35 H new ATOM 0 HB2 LYS A 40 7.600 -5.673 -10.236 1.00 35.52 H new ATOM 0 HB3 LYS A 40 8.846 -4.847 -11.150 1.00 35.52 H new ATOM 0 HG2 LYS A 40 10.542 -5.573 -9.419 1.00 22.42 H new ATOM 0 HG3 LYS A 40 9.280 -6.470 -8.598 1.00 22.42 H new ATOM 0 HD2 LYS A 40 10.551 -8.006 -10.038 1.00 51.12 H new ATOM 0 HD3 LYS A 40 8.918 -7.860 -10.655 1.00 51.12 H new ATOM 0 HE2 LYS A 40 9.761 -6.144 -12.329 1.00 12.44 H new ATOM 0 HE3 LYS A 40 11.391 -6.442 -11.759 1.00 12.44 H new ATOM 0 HZ1 LYS A 40 10.908 -7.721 -13.741 1.00 62.21 H new ATOM 0 HZ2 LYS A 40 11.170 -8.766 -12.428 1.00 62.21 H new ATOM 0 HZ3 LYS A 40 9.591 -8.477 -12.981 1.00 62.21 H new ATOM 679 N GLU A 41 6.084 -3.000 -9.824 1.00 44.12 N ATOM 680 CA GLU A 41 5.069 -2.151 -10.471 1.00 55.24 C ATOM 681 C GLU A 41 5.085 -0.725 -9.879 1.00 13.54 C ATOM 682 O GLU A 41 4.830 0.243 -10.589 1.00 73.43 O ATOM 683 CB GLU A 41 3.663 -2.797 -10.337 1.00 74.04 C ATOM 684 CG GLU A 41 2.575 -2.087 -11.152 1.00 30.35 C ATOM 685 CD GLU A 41 1.195 -2.742 -11.053 1.00 44.33 C ATOM 686 OE1 GLU A 41 1.001 -3.832 -11.637 1.00 65.20 O ATOM 687 OE2 GLU A 41 0.287 -2.164 -10.416 1.00 42.54 O ATOM 0 H GLU A 41 5.690 -3.688 -9.182 1.00 44.12 H new ATOM 0 HA GLU A 41 5.309 -2.071 -11.531 1.00 55.24 H new ATOM 0 HB2 GLU A 41 3.720 -3.838 -10.654 1.00 74.04 H new ATOM 0 HB3 GLU A 41 3.373 -2.799 -9.286 1.00 74.04 H new ATOM 0 HG2 GLU A 41 2.500 -1.053 -10.815 1.00 30.35 H new ATOM 0 HG3 GLU A 41 2.879 -2.060 -12.198 1.00 30.35 H new ATOM 694 N ILE A 42 5.414 -0.621 -8.578 1.00 2.04 N ATOM 695 CA ILE A 42 5.611 0.667 -7.881 1.00 22.22 C ATOM 696 C ILE A 42 6.759 1.450 -8.558 1.00 22.22 C ATOM 697 O ILE A 42 6.629 2.633 -8.850 1.00 65.34 O ATOM 698 CB ILE A 42 5.915 0.439 -6.341 1.00 24.24 C ATOM 699 CG1 ILE A 42 4.639 -0.051 -5.581 1.00 1.12 C ATOM 700 CG2 ILE A 42 6.485 1.706 -5.671 1.00 44.21 C ATOM 701 CD1 ILE A 42 4.895 -0.543 -4.161 1.00 41.12 C ATOM 0 H ILE A 42 5.552 -1.433 -7.976 1.00 2.04 H new ATOM 0 HA ILE A 42 4.693 1.250 -7.951 1.00 22.22 H new ATOM 0 HB ILE A 42 6.676 -0.339 -6.281 1.00 24.24 H new ATOM 0 HG12 ILE A 42 3.918 0.766 -5.544 1.00 1.12 H new ATOM 0 HG13 ILE A 42 4.179 -0.857 -6.153 1.00 1.12 H new ATOM 0 HG21 ILE A 42 6.678 1.505 -4.617 1.00 44.21 H new ATOM 0 HG22 ILE A 42 7.415 1.991 -6.163 1.00 44.21 H new ATOM 0 HG23 ILE A 42 5.765 2.519 -5.759 1.00 44.21 H new ATOM 0 HD11 ILE A 42 3.955 -0.863 -3.712 1.00 41.12 H new ATOM 0 HD12 ILE A 42 5.589 -1.383 -4.187 1.00 41.12 H new ATOM 0 HD13 ILE A 42 5.325 0.264 -3.568 1.00 41.12 H new ATOM 713 N GLN A 43 7.856 0.739 -8.844 1.00 23.22 N ATOM 714 CA GLN A 43 9.052 1.314 -9.494 1.00 2.11 C ATOM 715 C GLN A 43 8.767 1.650 -10.974 1.00 23.40 C ATOM 716 O GLN A 43 9.190 2.697 -11.479 1.00 43.21 O ATOM 717 CB GLN A 43 10.218 0.305 -9.396 1.00 73.24 C ATOM 718 CG GLN A 43 10.537 -0.162 -7.963 1.00 64.03 C ATOM 719 CD GLN A 43 11.458 -1.381 -7.919 1.00 50.25 C ATOM 720 OE1 GLN A 43 11.291 -2.213 -6.910 1.00 4.51 O flip ATOM 721 NE2 GLN A 43 12.301 -1.581 -8.796 1.00 14.01 N flip ATOM 0 H GLN A 43 7.945 -0.255 -8.633 1.00 23.22 H new ATOM 0 HA GLN A 43 9.320 2.239 -8.983 1.00 2.11 H new ATOM 0 HB2 GLN A 43 9.980 -0.567 -10.005 1.00 73.24 H new ATOM 0 HB3 GLN A 43 11.112 0.758 -9.825 1.00 73.24 H new ATOM 0 HG2 GLN A 43 11.003 0.657 -7.416 1.00 64.03 H new ATOM 0 HG3 GLN A 43 9.606 -0.399 -7.449 1.00 64.03 H new ATOM 0 HE21 GLN A 43 12.405 -0.918 -9.564 1.00 14.01 H new ATOM 0 HE22 GLN A 43 12.894 -2.410 -8.754 1.00 14.01 H new ATOM 730 N LYS A 44 8.025 0.743 -11.639 1.00 1.11 N ATOM 731 CA LYS A 44 7.680 0.838 -13.071 1.00 31.54 C ATOM 732 C LYS A 44 6.784 2.062 -13.344 1.00 63.33 C ATOM 733 O LYS A 44 7.028 2.828 -14.279 1.00 62.00 O ATOM 734 CB LYS A 44 6.981 -0.481 -13.523 1.00 42.14 C ATOM 735 CG LYS A 44 6.611 -0.554 -15.023 1.00 54.52 C ATOM 736 CD LYS A 44 7.843 -0.509 -15.963 1.00 73.14 C ATOM 737 CE LYS A 44 7.443 -0.452 -17.451 1.00 14.31 C ATOM 738 NZ LYS A 44 6.632 0.760 -17.762 1.00 62.23 N ATOM 0 H LYS A 44 7.643 -0.089 -11.189 1.00 1.11 H new ATOM 0 HA LYS A 44 8.594 0.971 -13.649 1.00 31.54 H new ATOM 0 HB2 LYS A 44 7.636 -1.319 -13.286 1.00 42.14 H new ATOM 0 HB3 LYS A 44 6.072 -0.611 -12.935 1.00 42.14 H new ATOM 0 HG2 LYS A 44 6.055 -1.473 -15.208 1.00 54.52 H new ATOM 0 HG3 LYS A 44 5.947 0.275 -15.267 1.00 54.52 H new ATOM 0 HD2 LYS A 44 8.451 0.362 -15.719 1.00 73.14 H new ATOM 0 HD3 LYS A 44 8.462 -1.389 -15.789 1.00 73.14 H new ATOM 0 HE2 LYS A 44 8.341 -0.456 -18.069 1.00 14.31 H new ATOM 0 HE3 LYS A 44 6.874 -1.345 -17.709 1.00 14.31 H new ATOM 0 HZ1 LYS A 44 6.583 0.890 -18.793 1.00 62.23 H new ATOM 0 HZ2 LYS A 44 5.671 0.642 -17.382 1.00 62.23 H new ATOM 0 HZ3 LYS A 44 7.075 1.595 -17.328 1.00 62.23 H new ATOM 752 N LYS A 45 5.770 2.240 -12.497 1.00 5.31 N ATOM 753 CA LYS A 45 4.806 3.349 -12.602 1.00 32.43 C ATOM 754 C LYS A 45 5.344 4.627 -11.938 1.00 34.23 C ATOM 755 O LYS A 45 4.821 5.718 -12.184 1.00 55.03 O ATOM 756 CB LYS A 45 3.467 2.917 -11.961 1.00 60.34 C ATOM 757 CG LYS A 45 2.798 1.733 -12.688 1.00 22.44 C ATOM 758 CD LYS A 45 1.543 1.207 -11.957 1.00 44.22 C ATOM 759 CE LYS A 45 0.434 2.251 -11.793 1.00 12.44 C ATOM 760 NZ LYS A 45 -0.788 1.650 -11.193 1.00 50.31 N ATOM 0 H LYS A 45 5.588 1.617 -11.710 1.00 5.31 H new ATOM 0 HA LYS A 45 4.647 3.580 -13.655 1.00 32.43 H new ATOM 0 HB2 LYS A 45 3.642 2.644 -10.920 1.00 60.34 H new ATOM 0 HB3 LYS A 45 2.783 3.766 -11.957 1.00 60.34 H new ATOM 0 HG2 LYS A 45 2.522 2.042 -13.696 1.00 22.44 H new ATOM 0 HG3 LYS A 45 3.519 0.922 -12.790 1.00 22.44 H new ATOM 0 HD2 LYS A 45 1.146 0.354 -12.507 1.00 44.22 H new ATOM 0 HD3 LYS A 45 1.835 0.844 -10.972 1.00 44.22 H new ATOM 0 HE2 LYS A 45 0.789 3.066 -11.162 1.00 12.44 H new ATOM 0 HE3 LYS A 45 0.191 2.682 -12.764 1.00 12.44 H new ATOM 0 HZ1 LYS A 45 -1.620 1.919 -11.756 1.00 50.31 H new ATOM 0 HZ2 LYS A 45 -0.697 0.614 -11.184 1.00 50.31 H new ATOM 0 HZ3 LYS A 45 -0.903 1.996 -10.219 1.00 50.31 H new ATOM 774 N GLY A 46 6.367 4.464 -11.086 1.00 10.31 N ATOM 775 CA GLY A 46 7.058 5.594 -10.456 1.00 14.21 C ATOM 776 C GLY A 46 6.273 6.218 -9.309 1.00 52.10 C ATOM 777 O GLY A 46 6.128 7.438 -9.228 1.00 10.44 O ATOM 0 H GLY A 46 6.735 3.551 -10.817 1.00 10.31 H new ATOM 0 HA2 GLY A 46 8.026 5.257 -10.084 1.00 14.21 H new ATOM 0 HA3 GLY A 46 7.254 6.357 -11.210 1.00 14.21 H new ATOM 781 N VAL A 47 5.751 5.358 -8.427 1.00 40.32 N ATOM 782 CA VAL A 47 5.006 5.772 -7.234 1.00 55.21 C ATOM 783 C VAL A 47 5.998 6.240 -6.148 1.00 5.25 C ATOM 784 O VAL A 47 7.067 5.643 -5.981 1.00 30.23 O ATOM 785 CB VAL A 47 4.122 4.596 -6.684 1.00 41.04 C ATOM 786 CG1 VAL A 47 3.248 5.058 -5.497 1.00 53.33 C ATOM 787 CG2 VAL A 47 3.266 3.969 -7.812 1.00 34.14 C ATOM 0 H VAL A 47 5.835 4.346 -8.523 1.00 40.32 H new ATOM 0 HA VAL A 47 4.343 6.593 -7.505 1.00 55.21 H new ATOM 0 HB VAL A 47 4.792 3.821 -6.310 1.00 41.04 H new ATOM 0 HG11 VAL A 47 2.648 4.221 -5.139 1.00 53.33 H new ATOM 0 HG12 VAL A 47 3.889 5.416 -4.691 1.00 53.33 H new ATOM 0 HG13 VAL A 47 2.589 5.864 -5.822 1.00 53.33 H new ATOM 0 HG21 VAL A 47 2.664 3.157 -7.403 1.00 34.14 H new ATOM 0 HG22 VAL A 47 2.610 4.729 -8.236 1.00 34.14 H new ATOM 0 HG23 VAL A 47 3.921 3.578 -8.591 1.00 34.14 H new ATOM 797 N GLN A 48 5.630 7.306 -5.432 1.00 0.41 N ATOM 798 CA GLN A 48 6.477 7.932 -4.399 1.00 10.11 C ATOM 799 C GLN A 48 6.074 7.416 -3.006 1.00 30.34 C ATOM 800 O GLN A 48 6.921 7.045 -2.186 1.00 32.05 O ATOM 801 CB GLN A 48 6.294 9.475 -4.485 1.00 55.12 C ATOM 802 CG GLN A 48 7.245 10.323 -3.612 1.00 13.01 C ATOM 803 CD GLN A 48 8.729 10.180 -3.977 1.00 72.35 C ATOM 804 OE1 GLN A 48 9.086 9.889 -5.120 1.00 30.50 O ATOM 805 NE2 GLN A 48 9.606 10.441 -3.024 1.00 35.32 N ATOM 0 H GLN A 48 4.728 7.767 -5.550 1.00 0.41 H new ATOM 0 HA GLN A 48 7.524 7.677 -4.563 1.00 10.11 H new ATOM 0 HB2 GLN A 48 6.421 9.778 -5.524 1.00 55.12 H new ATOM 0 HB3 GLN A 48 5.268 9.715 -4.206 1.00 55.12 H new ATOM 0 HG2 GLN A 48 6.961 11.372 -3.698 1.00 13.01 H new ATOM 0 HG3 GLN A 48 7.110 10.041 -2.568 1.00 13.01 H new ATOM 0 HE21 GLN A 48 9.284 10.679 -2.086 1.00 35.32 H new ATOM 0 HE22 GLN A 48 10.605 10.404 -3.226 1.00 35.32 H new ATOM 814 N LYS A 49 4.757 7.409 -2.760 1.00 23.12 N ATOM 815 CA LYS A 49 4.169 7.137 -1.438 1.00 24.03 C ATOM 816 C LYS A 49 3.335 5.844 -1.479 1.00 11.40 C ATOM 817 O LYS A 49 2.507 5.681 -2.386 1.00 54.14 O ATOM 818 CB LYS A 49 3.236 8.324 -1.079 1.00 22.23 C ATOM 819 CG LYS A 49 3.856 9.728 -1.298 1.00 1.14 C ATOM 820 CD LYS A 49 2.783 10.825 -1.469 1.00 13.24 C ATOM 821 CE LYS A 49 3.375 12.219 -1.692 1.00 11.54 C ATOM 822 NZ LYS A 49 4.114 12.717 -0.502 1.00 50.31 N ATOM 0 H LYS A 49 4.060 7.594 -3.481 1.00 23.12 H new ATOM 0 HA LYS A 49 4.962 7.020 -0.699 1.00 24.03 H new ATOM 0 HB2 LYS A 49 2.327 8.247 -1.676 1.00 22.23 H new ATOM 0 HB3 LYS A 49 2.940 8.232 -0.034 1.00 22.23 H new ATOM 0 HG2 LYS A 49 4.494 9.977 -0.450 1.00 1.14 H new ATOM 0 HG3 LYS A 49 4.494 9.707 -2.182 1.00 1.14 H new ATOM 0 HD2 LYS A 49 2.143 10.570 -2.314 1.00 13.24 H new ATOM 0 HD3 LYS A 49 2.148 10.844 -0.583 1.00 13.24 H new ATOM 0 HE2 LYS A 49 4.048 12.192 -2.549 1.00 11.54 H new ATOM 0 HE3 LYS A 49 2.574 12.916 -1.937 1.00 11.54 H new ATOM 0 HZ1 LYS A 49 4.438 13.690 -0.676 1.00 50.31 H new ATOM 0 HZ2 LYS A 49 3.486 12.705 0.327 1.00 50.31 H new ATOM 0 HZ3 LYS A 49 4.936 12.105 -0.323 1.00 50.31 H new ATOM 836 N VAL A 50 3.532 4.937 -0.500 1.00 22.45 N ATOM 837 CA VAL A 50 2.669 3.750 -0.318 1.00 20.20 C ATOM 838 C VAL A 50 2.144 3.683 1.127 1.00 3.14 C ATOM 839 O VAL A 50 2.856 4.022 2.077 1.00 44.53 O ATOM 840 CB VAL A 50 3.382 2.390 -0.683 1.00 43.54 C ATOM 841 CG1 VAL A 50 3.858 2.394 -2.151 1.00 51.24 C ATOM 842 CG2 VAL A 50 4.543 2.062 0.292 1.00 52.14 C ATOM 0 H VAL A 50 4.287 5.005 0.182 1.00 22.45 H new ATOM 0 HA VAL A 50 1.841 3.872 -1.016 1.00 20.20 H new ATOM 0 HB VAL A 50 2.645 1.595 -0.572 1.00 43.54 H new ATOM 0 HG11 VAL A 50 4.346 1.446 -2.378 1.00 51.24 H new ATOM 0 HG12 VAL A 50 3.001 2.528 -2.811 1.00 51.24 H new ATOM 0 HG13 VAL A 50 4.564 3.211 -2.302 1.00 51.24 H new ATOM 0 HG21 VAL A 50 5.005 1.118 0.003 1.00 52.14 H new ATOM 0 HG22 VAL A 50 5.287 2.857 0.252 1.00 52.14 H new ATOM 0 HG23 VAL A 50 4.154 1.980 1.307 1.00 52.14 H new ATOM 852 N VAL A 51 0.886 3.250 1.275 1.00 10.03 N ATOM 853 CA VAL A 51 0.259 2.997 2.572 1.00 31.42 C ATOM 854 C VAL A 51 0.140 1.479 2.761 1.00 64.32 C ATOM 855 O VAL A 51 -0.723 0.845 2.150 1.00 72.13 O ATOM 856 CB VAL A 51 -1.164 3.661 2.663 1.00 42.24 C ATOM 857 CG1 VAL A 51 -1.810 3.417 4.033 1.00 4.20 C ATOM 858 CG2 VAL A 51 -1.107 5.164 2.357 1.00 54.24 C ATOM 0 H VAL A 51 0.269 3.064 0.484 1.00 10.03 H new ATOM 0 HA VAL A 51 0.875 3.436 3.357 1.00 31.42 H new ATOM 0 HB VAL A 51 -1.786 3.186 1.904 1.00 42.24 H new ATOM 0 HG11 VAL A 51 -2.792 3.889 4.062 1.00 4.20 H new ATOM 0 HG12 VAL A 51 -1.918 2.345 4.199 1.00 4.20 H new ATOM 0 HG13 VAL A 51 -1.180 3.843 4.814 1.00 4.20 H new ATOM 0 HG21 VAL A 51 -2.108 5.588 2.430 1.00 54.24 H new ATOM 0 HG22 VAL A 51 -0.451 5.657 3.075 1.00 54.24 H new ATOM 0 HG23 VAL A 51 -0.721 5.316 1.349 1.00 54.24 H new ATOM 868 N LEU A 52 1.023 0.899 3.575 1.00 55.13 N ATOM 869 CA LEU A 52 0.994 -0.536 3.861 1.00 13.33 C ATOM 870 C LEU A 52 -0.014 -0.808 5.000 1.00 23.35 C ATOM 871 O LEU A 52 0.315 -0.674 6.187 1.00 40.24 O ATOM 872 CB LEU A 52 2.425 -1.054 4.217 1.00 42.35 C ATOM 873 CG LEU A 52 3.506 -0.994 3.082 1.00 2.22 C ATOM 874 CD1 LEU A 52 4.824 -1.673 3.512 1.00 71.42 C ATOM 875 CD2 LEU A 52 3.004 -1.614 1.782 1.00 51.13 C ATOM 0 H LEU A 52 1.771 1.404 4.050 1.00 55.13 H new ATOM 0 HA LEU A 52 0.668 -1.081 2.975 1.00 13.33 H new ATOM 0 HB2 LEU A 52 2.793 -0.478 5.066 1.00 42.35 H new ATOM 0 HB3 LEU A 52 2.338 -2.089 4.548 1.00 42.35 H new ATOM 0 HG LEU A 52 3.703 0.063 2.903 1.00 2.22 H new ATOM 0 HD11 LEU A 52 5.547 -1.611 2.699 1.00 71.42 H new ATOM 0 HD12 LEU A 52 5.223 -1.169 4.392 1.00 71.42 H new ATOM 0 HD13 LEU A 52 4.634 -2.720 3.749 1.00 71.42 H new ATOM 0 HD21 LEU A 52 3.784 -1.551 1.024 1.00 51.13 H new ATOM 0 HD22 LEU A 52 2.748 -2.660 1.953 1.00 51.13 H new ATOM 0 HD23 LEU A 52 2.121 -1.075 1.439 1.00 51.13 H new ATOM 887 N VAL A 53 -1.260 -1.143 4.612 1.00 53.33 N ATOM 888 CA VAL A 53 -2.349 -1.472 5.549 1.00 3.41 C ATOM 889 C VAL A 53 -2.400 -2.987 5.799 1.00 50.33 C ATOM 890 O VAL A 53 -2.589 -3.774 4.862 1.00 50.55 O ATOM 891 CB VAL A 53 -3.762 -0.988 5.033 1.00 13.21 C ATOM 892 CG1 VAL A 53 -4.897 -1.368 6.022 1.00 60.23 C ATOM 893 CG2 VAL A 53 -3.774 0.527 4.765 1.00 53.10 C ATOM 0 H VAL A 53 -1.540 -1.193 3.632 1.00 53.33 H new ATOM 0 HA VAL A 53 -2.130 -0.942 6.476 1.00 3.41 H new ATOM 0 HB VAL A 53 -3.947 -1.505 4.092 1.00 13.21 H new ATOM 0 HG11 VAL A 53 -5.852 -1.018 5.631 1.00 60.23 H new ATOM 0 HG12 VAL A 53 -4.929 -2.451 6.141 1.00 60.23 H new ATOM 0 HG13 VAL A 53 -4.708 -0.902 6.989 1.00 60.23 H new ATOM 0 HG21 VAL A 53 -4.761 0.826 4.411 1.00 53.10 H new ATOM 0 HG22 VAL A 53 -3.541 1.061 5.686 1.00 53.10 H new ATOM 0 HG23 VAL A 53 -3.029 0.768 4.007 1.00 53.10 H new ATOM 903 N GLY A 54 -2.234 -3.373 7.080 1.00 51.04 N ATOM 904 CA GLY A 54 -2.374 -4.764 7.518 1.00 54.34 C ATOM 905 C GLY A 54 -1.395 -5.729 6.864 1.00 63.11 C ATOM 906 O GLY A 54 -1.767 -6.859 6.537 1.00 21.05 O ATOM 0 H GLY A 54 -2.000 -2.726 7.833 1.00 51.04 H new ATOM 0 HA2 GLY A 54 -2.241 -4.807 8.599 1.00 54.34 H new ATOM 0 HA3 GLY A 54 -3.390 -5.098 7.308 1.00 54.34 H new ATOM 910 N VAL A 55 -0.142 -5.279 6.667 1.00 64.51 N ATOM 911 CA VAL A 55 0.924 -6.109 6.072 1.00 75.31 C ATOM 912 C VAL A 55 1.752 -6.791 7.173 1.00 34.12 C ATOM 913 O VAL A 55 1.765 -6.342 8.328 1.00 61.21 O ATOM 914 CB VAL A 55 1.869 -5.274 5.122 1.00 24.22 C ATOM 915 CG1 VAL A 55 1.069 -4.606 3.973 1.00 25.53 C ATOM 916 CG2 VAL A 55 2.693 -4.236 5.915 1.00 52.02 C ATOM 0 H VAL A 55 0.160 -4.336 6.914 1.00 64.51 H new ATOM 0 HA VAL A 55 0.436 -6.870 5.463 1.00 75.31 H new ATOM 0 HB VAL A 55 2.574 -5.970 4.668 1.00 24.22 H new ATOM 0 HG11 VAL A 55 1.749 -4.039 3.338 1.00 25.53 H new ATOM 0 HG12 VAL A 55 0.574 -5.375 3.380 1.00 25.53 H new ATOM 0 HG13 VAL A 55 0.321 -3.934 4.393 1.00 25.53 H new ATOM 0 HG21 VAL A 55 3.332 -3.679 5.230 1.00 52.02 H new ATOM 0 HG22 VAL A 55 2.018 -3.547 6.423 1.00 52.02 H new ATOM 0 HG23 VAL A 55 3.311 -4.748 6.652 1.00 52.02 H new ATOM 926 N SER A 56 2.435 -7.883 6.809 1.00 41.14 N ATOM 927 CA SER A 56 3.318 -8.611 7.726 1.00 34.30 C ATOM 928 C SER A 56 4.691 -7.896 7.803 1.00 22.31 C ATOM 929 O SER A 56 5.096 -7.254 6.835 1.00 62.42 O ATOM 930 CB SER A 56 3.460 -10.068 7.250 1.00 61.33 C ATOM 931 OG SER A 56 4.066 -10.862 8.247 1.00 54.11 O ATOM 0 H SER A 56 2.391 -8.285 5.873 1.00 41.14 H new ATOM 0 HA SER A 56 2.892 -8.624 8.729 1.00 34.30 H new ATOM 0 HB2 SER A 56 2.478 -10.472 7.003 1.00 61.33 H new ATOM 0 HB3 SER A 56 4.057 -10.101 6.339 1.00 61.33 H new ATOM 0 HG SER A 56 4.146 -11.785 7.927 1.00 54.11 H new ATOM 937 N GLU A 57 5.397 -8.048 8.945 1.00 13.10 N ATOM 938 CA GLU A 57 6.629 -7.276 9.267 1.00 62.50 C ATOM 939 C GLU A 57 7.799 -7.568 8.287 1.00 64.14 C ATOM 940 O GLU A 57 8.567 -6.664 7.952 1.00 54.24 O ATOM 941 CB GLU A 57 7.051 -7.541 10.745 1.00 61.43 C ATOM 942 CG GLU A 57 7.309 -9.020 11.073 1.00 73.41 C ATOM 943 CD GLU A 57 7.705 -9.258 12.537 1.00 52.13 C ATOM 944 OE1 GLU A 57 8.890 -9.050 12.882 1.00 43.34 O ATOM 945 OE2 GLU A 57 6.834 -9.653 13.347 1.00 52.13 O ATOM 0 H GLU A 57 5.132 -8.710 9.675 1.00 13.10 H new ATOM 0 HA GLU A 57 6.392 -6.219 9.146 1.00 62.50 H new ATOM 0 HB2 GLU A 57 7.954 -6.970 10.961 1.00 61.43 H new ATOM 0 HB3 GLU A 57 6.271 -7.165 11.407 1.00 61.43 H new ATOM 0 HG2 GLU A 57 6.412 -9.597 10.848 1.00 73.41 H new ATOM 0 HG3 GLU A 57 8.100 -9.396 10.424 1.00 73.41 H new ATOM 952 N LYS A 58 7.899 -8.829 7.819 1.00 73.42 N ATOM 953 CA LYS A 58 8.920 -9.256 6.828 1.00 4.52 C ATOM 954 C LYS A 58 8.683 -8.555 5.472 1.00 31.42 C ATOM 955 O LYS A 58 9.618 -8.032 4.848 1.00 4.31 O ATOM 956 CB LYS A 58 8.871 -10.801 6.673 1.00 51.34 C ATOM 957 CG LYS A 58 9.890 -11.407 5.683 1.00 11.15 C ATOM 958 CD LYS A 58 9.748 -12.946 5.563 1.00 65.54 C ATOM 959 CE LYS A 58 10.776 -13.579 4.613 1.00 64.04 C ATOM 960 NZ LYS A 58 10.660 -15.066 4.578 1.00 72.43 N ATOM 0 H LYS A 58 7.278 -9.582 8.114 1.00 73.42 H new ATOM 0 HA LYS A 58 9.910 -8.968 7.181 1.00 4.52 H new ATOM 0 HB2 LYS A 58 9.032 -11.251 7.653 1.00 51.34 H new ATOM 0 HB3 LYS A 58 7.868 -11.084 6.353 1.00 51.34 H new ATOM 0 HG2 LYS A 58 9.753 -10.954 4.701 1.00 11.15 H new ATOM 0 HG3 LYS A 58 10.901 -11.162 6.009 1.00 11.15 H new ATOM 0 HD2 LYS A 58 9.855 -13.392 6.552 1.00 65.54 H new ATOM 0 HD3 LYS A 58 8.744 -13.185 5.212 1.00 65.54 H new ATOM 0 HE2 LYS A 58 10.635 -13.180 3.608 1.00 64.04 H new ATOM 0 HE3 LYS A 58 11.781 -13.301 4.929 1.00 64.04 H new ATOM 0 HZ1 LYS A 58 11.371 -15.454 3.926 1.00 72.43 H new ATOM 0 HZ2 LYS A 58 10.819 -15.449 5.532 1.00 72.43 H new ATOM 0 HZ3 LYS A 58 9.709 -15.332 4.252 1.00 72.43 H new ATOM 974 N LEU A 59 7.399 -8.518 5.066 1.00 72.41 N ATOM 975 CA LEU A 59 6.959 -7.923 3.792 1.00 52.25 C ATOM 976 C LEU A 59 6.976 -6.385 3.868 1.00 63.31 C ATOM 977 O LEU A 59 7.196 -5.721 2.864 1.00 24.51 O ATOM 978 CB LEU A 59 5.538 -8.438 3.426 1.00 51.22 C ATOM 979 CG LEU A 59 5.400 -9.983 3.215 1.00 11.52 C ATOM 980 CD1 LEU A 59 3.937 -10.371 2.886 1.00 42.51 C ATOM 981 CD2 LEU A 59 6.377 -10.493 2.124 1.00 50.31 C ATOM 0 H LEU A 59 6.633 -8.904 5.618 1.00 72.41 H new ATOM 0 HA LEU A 59 7.655 -8.227 3.010 1.00 52.25 H new ATOM 0 HB2 LEU A 59 4.850 -8.136 4.216 1.00 51.22 H new ATOM 0 HB3 LEU A 59 5.216 -7.937 2.513 1.00 51.22 H new ATOM 0 HG LEU A 59 5.671 -10.471 4.151 1.00 11.52 H new ATOM 0 HD11 LEU A 59 3.870 -11.450 2.744 1.00 42.51 H new ATOM 0 HD12 LEU A 59 3.287 -10.072 3.709 1.00 42.51 H new ATOM 0 HD13 LEU A 59 3.623 -9.865 1.973 1.00 42.51 H new ATOM 0 HD21 LEU A 59 6.256 -11.569 2.002 1.00 50.31 H new ATOM 0 HD22 LEU A 59 6.160 -9.994 1.180 1.00 50.31 H new ATOM 0 HD23 LEU A 59 7.402 -10.275 2.423 1.00 50.31 H new ATOM 993 N LEU A 60 6.766 -5.840 5.077 1.00 32.53 N ATOM 994 CA LEU A 60 6.806 -4.386 5.340 1.00 1.02 C ATOM 995 C LEU A 60 8.173 -3.810 4.946 1.00 11.12 C ATOM 996 O LEU A 60 8.274 -2.890 4.121 1.00 71.21 O ATOM 997 CB LEU A 60 6.568 -4.107 6.842 1.00 42.01 C ATOM 998 CG LEU A 60 6.743 -2.609 7.299 1.00 43.11 C ATOM 999 CD1 LEU A 60 5.422 -1.828 7.231 1.00 55.41 C ATOM 1000 CD2 LEU A 60 7.400 -2.520 8.688 1.00 13.01 C ATOM 0 H LEU A 60 6.562 -6.397 5.907 1.00 32.53 H new ATOM 0 HA LEU A 60 6.023 -3.914 4.747 1.00 1.02 H new ATOM 0 HB2 LEU A 60 5.558 -4.429 7.096 1.00 42.01 H new ATOM 0 HB3 LEU A 60 7.254 -4.726 7.420 1.00 42.01 H new ATOM 0 HG LEU A 60 7.420 -2.131 6.592 1.00 43.11 H new ATOM 0 HD11 LEU A 60 5.590 -0.801 7.555 1.00 55.41 H new ATOM 0 HD12 LEU A 60 5.051 -1.830 6.206 1.00 55.41 H new ATOM 0 HD13 LEU A 60 4.687 -2.299 7.884 1.00 55.41 H new ATOM 0 HD21 LEU A 60 7.506 -1.474 8.974 1.00 13.01 H new ATOM 0 HD22 LEU A 60 6.776 -3.034 9.419 1.00 13.01 H new ATOM 0 HD23 LEU A 60 8.383 -2.989 8.656 1.00 13.01 H new ATOM 1012 N GLN A 61 9.210 -4.410 5.552 1.00 4.41 N ATOM 1013 CA GLN A 61 10.609 -4.018 5.362 1.00 5.13 C ATOM 1014 C GLN A 61 11.079 -4.336 3.935 1.00 20.05 C ATOM 1015 O GLN A 61 12.057 -3.771 3.464 1.00 45.52 O ATOM 1016 CB GLN A 61 11.493 -4.749 6.403 1.00 3.43 C ATOM 1017 CG GLN A 61 11.083 -4.489 7.870 1.00 3.34 C ATOM 1018 CD GLN A 61 11.945 -5.233 8.895 1.00 31.01 C ATOM 1019 OE1 GLN A 61 13.138 -5.461 8.681 1.00 45.32 O ATOM 1020 NE2 GLN A 61 11.345 -5.638 10.003 1.00 2.02 N ATOM 0 H GLN A 61 9.095 -5.192 6.196 1.00 4.41 H new ATOM 0 HA GLN A 61 10.698 -2.941 5.507 1.00 5.13 H new ATOM 0 HB2 GLN A 61 11.452 -5.821 6.210 1.00 3.43 H new ATOM 0 HB3 GLN A 61 12.529 -4.439 6.266 1.00 3.43 H new ATOM 0 HG2 GLN A 61 11.141 -3.419 8.069 1.00 3.34 H new ATOM 0 HG3 GLN A 61 10.042 -4.782 8.004 1.00 3.34 H new ATOM 0 HE21 GLN A 61 10.357 -5.434 10.152 1.00 2.02 H new ATOM 0 HE22 GLN A 61 11.871 -6.154 10.708 1.00 2.02 H new ATOM 1029 N LYS A 62 10.352 -5.238 3.251 1.00 51.13 N ATOM 1030 CA LYS A 62 10.695 -5.671 1.889 1.00 31.31 C ATOM 1031 C LYS A 62 10.185 -4.664 0.840 1.00 31.33 C ATOM 1032 O LYS A 62 10.918 -4.315 -0.078 1.00 71.13 O ATOM 1033 CB LYS A 62 10.170 -7.107 1.619 1.00 3.14 C ATOM 1034 CG LYS A 62 10.677 -7.726 0.294 1.00 31.02 C ATOM 1035 CD LYS A 62 10.520 -9.267 0.252 1.00 2.41 C ATOM 1036 CE LYS A 62 11.189 -9.887 -0.985 1.00 5.43 C ATOM 1037 NZ LYS A 62 11.357 -11.358 -0.854 1.00 63.35 N ATOM 0 H LYS A 62 9.515 -5.684 3.627 1.00 51.13 H new ATOM 0 HA LYS A 62 11.781 -5.699 1.802 1.00 31.31 H new ATOM 0 HB2 LYS A 62 10.467 -7.752 2.446 1.00 3.14 H new ATOM 0 HB3 LYS A 62 9.080 -7.087 1.605 1.00 3.14 H new ATOM 0 HG2 LYS A 62 10.129 -7.287 -0.540 1.00 31.02 H new ATOM 0 HG3 LYS A 62 11.727 -7.469 0.156 1.00 31.02 H new ATOM 0 HD2 LYS A 62 10.955 -9.699 1.153 1.00 2.41 H new ATOM 0 HD3 LYS A 62 9.460 -9.522 0.256 1.00 2.41 H new ATOM 0 HE2 LYS A 62 10.589 -9.669 -1.868 1.00 5.43 H new ATOM 0 HE3 LYS A 62 12.164 -9.424 -1.139 1.00 5.43 H new ATOM 0 HZ1 LYS A 62 12.326 -11.570 -0.543 1.00 63.35 H new ATOM 0 HZ2 LYS A 62 10.681 -11.724 -0.154 1.00 63.35 H new ATOM 0 HZ3 LYS A 62 11.182 -11.811 -1.774 1.00 63.35 H new ATOM 1051 N ILE A 63 8.937 -4.172 0.991 1.00 11.21 N ATOM 1052 CA ILE A 63 8.400 -3.092 0.122 1.00 40.31 C ATOM 1053 C ILE A 63 9.221 -1.791 0.354 1.00 54.21 C ATOM 1054 O ILE A 63 9.561 -1.078 -0.595 1.00 63.23 O ATOM 1055 CB ILE A 63 6.836 -2.859 0.350 1.00 45.21 C ATOM 1056 CG1 ILE A 63 5.955 -3.918 -0.415 1.00 12.22 C ATOM 1057 CG2 ILE A 63 6.396 -1.426 -0.059 1.00 34.42 C ATOM 1058 CD1 ILE A 63 6.145 -5.377 -0.017 1.00 63.35 C ATOM 0 H ILE A 63 8.282 -4.500 1.701 1.00 11.21 H new ATOM 0 HA ILE A 63 8.507 -3.396 -0.919 1.00 40.31 H new ATOM 0 HB ILE A 63 6.672 -2.984 1.420 1.00 45.21 H new ATOM 0 HG12 ILE A 63 4.906 -3.659 -0.269 1.00 12.22 H new ATOM 0 HG13 ILE A 63 6.161 -3.826 -1.481 1.00 12.22 H new ATOM 0 HG21 ILE A 63 5.326 -1.311 0.112 1.00 34.42 H new ATOM 0 HG22 ILE A 63 6.940 -0.694 0.538 1.00 34.42 H new ATOM 0 HG23 ILE A 63 6.613 -1.266 -1.115 1.00 34.42 H new ATOM 0 HD11 ILE A 63 5.484 -6.006 -0.614 1.00 63.35 H new ATOM 0 HD12 ILE A 63 7.180 -5.670 -0.192 1.00 63.35 H new ATOM 0 HD13 ILE A 63 5.907 -5.500 1.039 1.00 63.35 H new ATOM 1070 N LYS A 64 9.571 -1.552 1.636 1.00 71.34 N ATOM 1071 CA LYS A 64 10.432 -0.434 2.090 1.00 20.45 C ATOM 1072 C LYS A 64 11.753 -0.381 1.288 1.00 11.41 C ATOM 1073 O LYS A 64 12.024 0.605 0.588 1.00 52.42 O ATOM 1074 CB LYS A 64 10.710 -0.624 3.609 1.00 42.35 C ATOM 1075 CG LYS A 64 11.763 0.309 4.255 1.00 11.30 C ATOM 1076 CD LYS A 64 11.268 1.753 4.491 1.00 20.13 C ATOM 1077 CE LYS A 64 12.343 2.614 5.177 1.00 2.52 C ATOM 1078 NZ LYS A 64 11.857 3.969 5.545 1.00 23.01 N ATOM 0 H LYS A 64 9.256 -2.144 2.404 1.00 71.34 H new ATOM 0 HA LYS A 64 9.923 0.514 1.919 1.00 20.45 H new ATOM 0 HB2 LYS A 64 9.769 -0.494 4.144 1.00 42.35 H new ATOM 0 HB3 LYS A 64 11.028 -1.654 3.769 1.00 42.35 H new ATOM 0 HG2 LYS A 64 12.074 -0.117 5.209 1.00 11.30 H new ATOM 0 HG3 LYS A 64 12.646 0.339 3.617 1.00 11.30 H new ATOM 0 HD2 LYS A 64 10.993 2.204 3.538 1.00 20.13 H new ATOM 0 HD3 LYS A 64 10.368 1.734 5.106 1.00 20.13 H new ATOM 0 HE2 LYS A 64 12.691 2.103 6.075 1.00 2.52 H new ATOM 0 HE3 LYS A 64 13.201 2.711 4.512 1.00 2.52 H new ATOM 0 HZ1 LYS A 64 12.625 4.501 6.003 1.00 23.01 H new ATOM 0 HZ2 LYS A 64 11.550 4.472 4.688 1.00 23.01 H new ATOM 0 HZ3 LYS A 64 11.055 3.884 6.202 1.00 23.01 H new ATOM 1092 N GLN A 65 12.540 -1.462 1.387 1.00 61.02 N ATOM 1093 CA GLN A 65 13.875 -1.546 0.765 1.00 31.43 C ATOM 1094 C GLN A 65 13.795 -1.651 -0.769 1.00 0.52 C ATOM 1095 O GLN A 65 14.385 -0.833 -1.478 1.00 12.13 O ATOM 1096 CB GLN A 65 14.662 -2.751 1.337 1.00 63.34 C ATOM 1097 CG GLN A 65 14.897 -2.685 2.859 1.00 14.52 C ATOM 1098 CD GLN A 65 15.669 -3.883 3.415 1.00 1.51 C ATOM 1099 OE1 GLN A 65 16.534 -4.451 2.752 1.00 32.23 O ATOM 1100 NE2 GLN A 65 15.340 -4.298 4.623 1.00 34.22 N ATOM 0 H GLN A 65 12.272 -2.303 1.899 1.00 61.02 H new ATOM 0 HA GLN A 65 14.400 -0.622 1.005 1.00 31.43 H new ATOM 0 HB2 GLN A 65 14.121 -3.668 1.103 1.00 63.34 H new ATOM 0 HB3 GLN A 65 15.627 -2.813 0.834 1.00 63.34 H new ATOM 0 HG2 GLN A 65 15.443 -1.771 3.094 1.00 14.52 H new ATOM 0 HG3 GLN A 65 13.933 -2.619 3.364 1.00 14.52 H new ATOM 0 HE21 GLN A 65 14.618 -3.808 5.152 1.00 34.22 H new ATOM 0 HE22 GLN A 65 15.807 -5.109 5.029 1.00 34.22 H new ATOM 1109 N GLU A 66 13.046 -2.651 -1.264 1.00 14.13 N ATOM 1110 CA GLU A 66 13.064 -3.028 -2.691 1.00 20.10 C ATOM 1111 C GLU A 66 12.392 -1.966 -3.588 1.00 11.32 C ATOM 1112 O GLU A 66 12.911 -1.659 -4.669 1.00 2.51 O ATOM 1113 CB GLU A 66 12.415 -4.422 -2.901 1.00 71.25 C ATOM 1114 CG GLU A 66 13.028 -5.564 -2.061 1.00 53.15 C ATOM 1115 CD GLU A 66 14.558 -5.681 -2.197 1.00 41.54 C ATOM 1116 OE1 GLU A 66 15.034 -6.179 -3.245 1.00 62.23 O ATOM 1117 OE2 GLU A 66 15.287 -5.283 -1.263 1.00 61.15 O ATOM 0 H GLU A 66 12.417 -3.217 -0.695 1.00 14.13 H new ATOM 0 HA GLU A 66 14.110 -3.082 -2.994 1.00 20.10 H new ATOM 0 HB2 GLU A 66 11.353 -4.350 -2.667 1.00 71.25 H new ATOM 0 HB3 GLU A 66 12.492 -4.686 -3.956 1.00 71.25 H new ATOM 0 HG2 GLU A 66 12.776 -5.407 -1.012 1.00 53.15 H new ATOM 0 HG3 GLU A 66 12.572 -6.508 -2.360 1.00 53.15 H new ATOM 1124 N ALA A 67 11.243 -1.406 -3.145 1.00 11.22 N ATOM 1125 CA ALA A 67 10.507 -0.389 -3.927 1.00 25.04 C ATOM 1126 C ALA A 67 11.056 1.026 -3.662 1.00 40.24 C ATOM 1127 O ALA A 67 10.835 1.936 -4.473 1.00 23.14 O ATOM 1128 CB ALA A 67 9.002 -0.467 -3.633 1.00 24.24 C ATOM 0 H ALA A 67 10.808 -1.641 -2.253 1.00 11.22 H new ATOM 0 HA ALA A 67 10.657 -0.602 -4.985 1.00 25.04 H new ATOM 0 HB1 ALA A 67 8.477 0.289 -4.218 1.00 24.24 H new ATOM 0 HB2 ALA A 67 8.630 -1.456 -3.901 1.00 24.24 H new ATOM 0 HB3 ALA A 67 8.829 -0.289 -2.572 1.00 24.24 H new ATOM 1134 N ASN A 68 11.772 1.180 -2.516 1.00 2.02 N ATOM 1135 CA ASN A 68 12.502 2.426 -2.141 1.00 34.03 C ATOM 1136 C ASN A 68 11.531 3.613 -1.941 1.00 33.23 C ATOM 1137 O ASN A 68 11.827 4.753 -2.319 1.00 72.33 O ATOM 1138 CB ASN A 68 13.608 2.775 -3.189 1.00 25.11 C ATOM 1139 CG ASN A 68 14.675 1.693 -3.327 1.00 73.11 C ATOM 1140 OD1 ASN A 68 15.686 1.700 -2.616 1.00 24.33 O ATOM 1141 ND2 ASN A 68 14.460 0.747 -4.230 1.00 5.22 N ATOM 0 H ASN A 68 11.861 0.439 -1.821 1.00 2.02 H new ATOM 0 HA ASN A 68 12.995 2.239 -1.187 1.00 34.03 H new ATOM 0 HB2 ASN A 68 13.140 2.939 -4.160 1.00 25.11 H new ATOM 0 HB3 ASN A 68 14.086 3.712 -2.903 1.00 25.11 H new ATOM 0 HD21 ASN A 68 15.139 -0.004 -4.354 1.00 5.22 H new ATOM 0 HD22 ASN A 68 13.615 0.770 -4.801 1.00 5.22 H new ATOM 1148 N VAL A 69 10.388 3.341 -1.285 1.00 41.20 N ATOM 1149 CA VAL A 69 9.263 4.308 -1.171 1.00 62.23 C ATOM 1150 C VAL A 69 8.897 4.586 0.290 1.00 62.44 C ATOM 1151 O VAL A 69 9.247 3.803 1.187 1.00 34.41 O ATOM 1152 CB VAL A 69 7.992 3.797 -1.944 1.00 51.34 C ATOM 1153 CG1 VAL A 69 8.205 3.894 -3.463 1.00 72.51 C ATOM 1154 CG2 VAL A 69 7.637 2.351 -1.522 1.00 11.34 C ATOM 0 H VAL A 69 10.211 2.451 -0.819 1.00 41.20 H new ATOM 0 HA VAL A 69 9.604 5.239 -1.624 1.00 62.23 H new ATOM 0 HB VAL A 69 7.151 4.438 -1.681 1.00 51.34 H new ATOM 0 HG11 VAL A 69 7.314 3.536 -3.979 1.00 72.51 H new ATOM 0 HG12 VAL A 69 8.391 4.932 -3.739 1.00 72.51 H new ATOM 0 HG13 VAL A 69 9.061 3.283 -3.750 1.00 72.51 H new ATOM 0 HG21 VAL A 69 6.755 2.018 -2.069 1.00 11.34 H new ATOM 0 HG22 VAL A 69 8.474 1.690 -1.747 1.00 11.34 H new ATOM 0 HG23 VAL A 69 7.431 2.324 -0.452 1.00 11.34 H new ATOM 1164 N GLN A 70 8.189 5.714 0.505 1.00 42.24 N ATOM 1165 CA GLN A 70 7.737 6.147 1.830 1.00 43.24 C ATOM 1166 C GLN A 70 6.608 5.228 2.304 1.00 14.55 C ATOM 1167 O GLN A 70 5.527 5.214 1.720 1.00 43.30 O ATOM 1168 CB GLN A 70 7.271 7.634 1.814 1.00 65.33 C ATOM 1169 CG GLN A 70 8.396 8.677 1.599 1.00 43.22 C ATOM 1170 CD GLN A 70 9.053 8.626 0.219 1.00 23.13 C ATOM 1171 OE1 GLN A 70 8.579 9.249 -0.720 1.00 15.11 O ATOM 1172 NE2 GLN A 70 10.158 7.912 0.094 1.00 11.43 N ATOM 0 H GLN A 70 7.917 6.349 -0.245 1.00 42.24 H new ATOM 0 HA GLN A 70 8.574 6.080 2.525 1.00 43.24 H new ATOM 0 HB2 GLN A 70 6.529 7.757 1.025 1.00 65.33 H new ATOM 0 HB3 GLN A 70 6.772 7.852 2.758 1.00 65.33 H new ATOM 0 HG2 GLN A 70 7.984 9.674 1.755 1.00 43.22 H new ATOM 0 HG3 GLN A 70 9.163 8.527 2.358 1.00 43.22 H new ATOM 0 HE21 GLN A 70 10.530 7.403 0.896 1.00 11.43 H new ATOM 0 HE22 GLN A 70 10.639 7.870 -0.804 1.00 11.43 H new ATOM 1181 N VAL A 71 6.889 4.475 3.368 1.00 32.41 N ATOM 1182 CA VAL A 71 5.994 3.448 3.911 1.00 35.44 C ATOM 1183 C VAL A 71 5.174 4.016 5.076 1.00 2.22 C ATOM 1184 O VAL A 71 5.737 4.457 6.081 1.00 42.42 O ATOM 1185 CB VAL A 71 6.833 2.207 4.388 1.00 54.22 C ATOM 1186 CG1 VAL A 71 5.983 1.204 5.200 1.00 4.01 C ATOM 1187 CG2 VAL A 71 7.496 1.523 3.173 1.00 13.01 C ATOM 0 H VAL A 71 7.762 4.562 3.888 1.00 32.41 H new ATOM 0 HA VAL A 71 5.305 3.130 3.128 1.00 35.44 H new ATOM 0 HB VAL A 71 7.612 2.567 5.060 1.00 54.22 H new ATOM 0 HG11 VAL A 71 6.606 0.364 5.507 1.00 4.01 H new ATOM 0 HG12 VAL A 71 5.581 1.700 6.083 1.00 4.01 H new ATOM 0 HG13 VAL A 71 5.162 0.840 4.583 1.00 4.01 H new ATOM 0 HG21 VAL A 71 8.076 0.664 3.511 1.00 13.01 H new ATOM 0 HG22 VAL A 71 6.725 1.190 2.478 1.00 13.01 H new ATOM 0 HG23 VAL A 71 8.156 2.231 2.672 1.00 13.01 H new ATOM 1197 N TYR A 72 3.849 4.026 4.917 1.00 24.42 N ATOM 1198 CA TYR A 72 2.910 4.433 5.965 1.00 11.43 C ATOM 1199 C TYR A 72 2.159 3.187 6.447 1.00 35.11 C ATOM 1200 O TYR A 72 1.261 2.694 5.760 1.00 25.42 O ATOM 1201 CB TYR A 72 1.948 5.510 5.391 1.00 70.20 C ATOM 1202 CG TYR A 72 2.686 6.753 4.854 1.00 51.21 C ATOM 1203 CD1 TYR A 72 3.099 7.772 5.718 1.00 43.33 C ATOM 1204 CD2 TYR A 72 2.979 6.905 3.489 1.00 53.22 C ATOM 1205 CE1 TYR A 72 3.779 8.881 5.244 1.00 14.22 C ATOM 1206 CE2 TYR A 72 3.657 8.014 3.017 1.00 5.01 C ATOM 1207 CZ TYR A 72 4.051 9.000 3.896 1.00 61.54 C ATOM 1208 OH TYR A 72 4.730 10.108 3.425 1.00 21.13 O ATOM 0 H TYR A 72 3.393 3.749 4.048 1.00 24.42 H new ATOM 0 HA TYR A 72 3.428 4.873 6.817 1.00 11.43 H new ATOM 0 HB2 TYR A 72 1.357 5.070 4.588 1.00 70.20 H new ATOM 0 HB3 TYR A 72 1.249 5.817 6.169 1.00 70.20 H new ATOM 0 HD1 TYR A 72 2.884 7.693 6.773 1.00 43.33 H new ATOM 0 HD2 TYR A 72 2.668 6.140 2.793 1.00 53.22 H new ATOM 0 HE1 TYR A 72 4.097 9.653 5.929 1.00 14.22 H new ATOM 0 HE2 TYR A 72 3.877 8.107 1.964 1.00 5.01 H new ATOM 0 HH TYR A 72 4.841 10.035 2.454 1.00 21.13 H new ATOM 1218 N ARG A 73 2.566 2.651 7.612 1.00 22.43 N ATOM 1219 CA ARG A 73 1.970 1.425 8.178 1.00 61.10 C ATOM 1220 C ARG A 73 0.680 1.832 8.900 1.00 71.40 C ATOM 1221 O ARG A 73 0.734 2.460 9.959 1.00 13.31 O ATOM 1222 CB ARG A 73 2.974 0.713 9.149 1.00 4.41 C ATOM 1223 CG ARG A 73 2.747 -0.811 9.376 1.00 73.34 C ATOM 1224 CD ARG A 73 1.416 -1.190 10.054 1.00 54.31 C ATOM 1225 NE ARG A 73 1.268 -0.578 11.393 1.00 21.14 N ATOM 1226 CZ ARG A 73 0.986 -1.250 12.530 1.00 70.45 C ATOM 1227 NH1 ARG A 73 0.813 -2.569 12.524 1.00 72.41 N ATOM 1228 NH2 ARG A 73 0.853 -0.584 13.668 1.00 70.43 N ATOM 0 H ARG A 73 3.310 3.050 8.184 1.00 22.43 H new ATOM 0 HA ARG A 73 1.743 0.708 7.389 1.00 61.10 H new ATOM 0 HB2 ARG A 73 3.983 0.855 8.763 1.00 4.41 H new ATOM 0 HB3 ARG A 73 2.929 1.214 10.116 1.00 4.41 H new ATOM 0 HG2 ARG A 73 2.800 -1.316 8.412 1.00 73.34 H new ATOM 0 HG3 ARG A 73 3.566 -1.196 9.983 1.00 73.34 H new ATOM 0 HD2 ARG A 73 0.587 -0.875 9.421 1.00 54.31 H new ATOM 0 HD3 ARG A 73 1.354 -2.274 10.145 1.00 54.31 H new ATOM 0 HE ARG A 73 1.389 0.432 11.463 1.00 21.14 H new ATOM 0 HH11 ARG A 73 0.893 -3.090 11.651 1.00 72.41 H new ATOM 0 HH12 ARG A 73 0.601 -3.059 13.393 1.00 72.41 H new ATOM 0 HH21 ARG A 73 0.964 0.430 13.681 1.00 70.43 H new ATOM 0 HH22 ARG A 73 0.640 -1.085 14.530 1.00 70.43 H new ATOM 1242 N VAL A 74 -0.465 1.476 8.313 1.00 73.10 N ATOM 1243 CA VAL A 74 -1.793 1.870 8.807 1.00 50.40 C ATOM 1244 C VAL A 74 -2.626 0.614 9.151 1.00 5.23 C ATOM 1245 O VAL A 74 -2.498 -0.425 8.505 1.00 74.44 O ATOM 1246 CB VAL A 74 -2.525 2.765 7.735 1.00 0.50 C ATOM 1247 CG1 VAL A 74 -3.995 3.040 8.102 1.00 32.23 C ATOM 1248 CG2 VAL A 74 -1.761 4.096 7.521 1.00 31.42 C ATOM 0 H VAL A 74 -0.500 0.900 7.472 1.00 73.10 H new ATOM 0 HA VAL A 74 -1.678 2.458 9.717 1.00 50.40 H new ATOM 0 HB VAL A 74 -2.528 2.203 6.801 1.00 0.50 H new ATOM 0 HG11 VAL A 74 -4.453 3.660 7.331 1.00 32.23 H new ATOM 0 HG12 VAL A 74 -4.534 2.096 8.175 1.00 32.23 H new ATOM 0 HG13 VAL A 74 -4.040 3.559 9.059 1.00 32.23 H new ATOM 0 HG21 VAL A 74 -2.282 4.699 6.778 1.00 31.42 H new ATOM 0 HG22 VAL A 74 -1.712 4.643 8.463 1.00 31.42 H new ATOM 0 HG23 VAL A 74 -0.751 3.883 7.172 1.00 31.42 H new ATOM 1258 N THR A 75 -3.427 0.712 10.220 1.00 3.53 N ATOM 1259 CA THR A 75 -4.375 -0.333 10.654 1.00 2.54 C ATOM 1260 C THR A 75 -5.779 0.267 10.913 1.00 24.35 C ATOM 1261 O THR A 75 -6.757 -0.474 11.064 1.00 21.43 O ATOM 1262 CB THR A 75 -3.852 -1.027 11.960 1.00 30.02 C ATOM 1263 OG1 THR A 75 -3.526 -0.023 12.943 1.00 14.33 O ATOM 1264 CG2 THR A 75 -2.615 -1.920 11.705 1.00 21.11 C ATOM 0 H THR A 75 -3.437 1.535 10.822 1.00 3.53 H new ATOM 0 HA THR A 75 -4.453 -1.071 9.856 1.00 2.54 H new ATOM 0 HB THR A 75 -4.650 -1.674 12.324 1.00 30.02 H new ATOM 0 HG1 THR A 75 -3.201 -0.458 13.759 1.00 14.33 H new ATOM 0 HG21 THR A 75 -2.295 -2.375 12.642 1.00 21.11 H new ATOM 0 HG22 THR A 75 -2.872 -2.702 10.991 1.00 21.11 H new ATOM 0 HG23 THR A 75 -1.805 -1.313 11.302 1.00 21.11 H new ATOM 1272 N SER A 76 -5.876 1.612 10.930 1.00 4.42 N ATOM 1273 CA SER A 76 -7.101 2.340 11.334 1.00 23.41 C ATOM 1274 C SER A 76 -7.455 3.416 10.286 1.00 51.34 C ATOM 1275 O SER A 76 -6.560 3.946 9.618 1.00 23.21 O ATOM 1276 CB SER A 76 -6.876 2.991 12.719 1.00 44.42 C ATOM 1277 OG SER A 76 -6.421 2.047 13.678 1.00 33.32 O ATOM 0 H SER A 76 -5.107 2.227 10.664 1.00 4.42 H new ATOM 0 HA SER A 76 -7.933 1.639 11.397 1.00 23.41 H new ATOM 0 HB2 SER A 76 -6.147 3.797 12.628 1.00 44.42 H new ATOM 0 HB3 SER A 76 -7.807 3.441 13.065 1.00 44.42 H new ATOM 0 HG SER A 76 -6.288 2.494 14.540 1.00 33.32 H new ATOM 1283 N ASN A 77 -8.759 3.762 10.191 1.00 60.42 N ATOM 1284 CA ASN A 77 -9.295 4.652 9.134 1.00 54.32 C ATOM 1285 C ASN A 77 -8.649 6.060 9.148 1.00 51.02 C ATOM 1286 O ASN A 77 -8.370 6.624 8.084 1.00 51.33 O ATOM 1287 CB ASN A 77 -10.844 4.767 9.236 1.00 61.32 C ATOM 1288 CG ASN A 77 -11.358 5.358 10.558 1.00 5.13 C ATOM 1289 OD1 ASN A 77 -11.643 4.632 11.512 1.00 24.33 O ATOM 1290 ND2 ASN A 77 -11.462 6.676 10.635 1.00 72.11 N ATOM 0 H ASN A 77 -9.470 3.433 10.844 1.00 60.42 H new ATOM 0 HA ASN A 77 -9.033 4.190 8.182 1.00 54.32 H new ATOM 0 HB2 ASN A 77 -11.204 5.385 8.413 1.00 61.32 H new ATOM 0 HB3 ASN A 77 -11.278 3.776 9.104 1.00 61.32 H new ATOM 0 HD21 ASN A 77 -11.784 7.113 11.499 1.00 72.11 H new ATOM 0 HD22 ASN A 77 -11.220 7.255 9.831 1.00 72.11 H new ATOM 1297 N ASP A 78 -8.386 6.578 10.367 1.00 4.22 N ATOM 1298 CA ASP A 78 -7.897 7.953 10.597 1.00 21.21 C ATOM 1299 C ASP A 78 -6.545 8.182 9.911 1.00 72.51 C ATOM 1300 O ASP A 78 -6.428 9.073 9.072 1.00 2.03 O ATOM 1301 CB ASP A 78 -7.785 8.240 12.120 1.00 54.01 C ATOM 1302 CG ASP A 78 -7.396 9.701 12.431 1.00 53.14 C ATOM 1303 OD1 ASP A 78 -8.305 10.564 12.500 1.00 61.31 O ATOM 1304 OD2 ASP A 78 -6.195 9.991 12.622 1.00 1.15 O ATOM 0 H ASP A 78 -8.509 6.046 11.229 1.00 4.22 H new ATOM 0 HA ASP A 78 -8.618 8.644 10.160 1.00 21.21 H new ATOM 0 HB2 ASP A 78 -8.738 8.014 12.598 1.00 54.01 H new ATOM 0 HB3 ASP A 78 -7.043 7.571 12.557 1.00 54.01 H new ATOM 1309 N GLU A 79 -5.561 7.315 10.235 1.00 3.34 N ATOM 1310 CA GLU A 79 -4.174 7.442 9.750 1.00 61.30 C ATOM 1311 C GLU A 79 -4.102 7.411 8.211 1.00 64.20 C ATOM 1312 O GLU A 79 -3.335 8.163 7.602 1.00 53.41 O ATOM 1313 CB GLU A 79 -3.302 6.310 10.338 1.00 12.51 C ATOM 1314 CG GLU A 79 -3.110 6.371 11.864 1.00 74.22 C ATOM 1315 CD GLU A 79 -2.368 7.629 12.347 1.00 34.10 C ATOM 1316 OE1 GLU A 79 -1.134 7.713 12.146 1.00 45.51 O ATOM 1317 OE2 GLU A 79 -3.008 8.545 12.910 1.00 32.24 O ATOM 0 H GLU A 79 -5.709 6.508 10.841 1.00 3.34 H new ATOM 0 HA GLU A 79 -3.795 8.408 10.083 1.00 61.30 H new ATOM 0 HB2 GLU A 79 -3.753 5.352 10.080 1.00 12.51 H new ATOM 0 HB3 GLU A 79 -2.322 6.340 9.861 1.00 12.51 H new ATOM 0 HG2 GLU A 79 -4.087 6.330 12.346 1.00 74.22 H new ATOM 0 HG3 GLU A 79 -2.558 5.488 12.187 1.00 74.22 H new ATOM 1324 N LEU A 80 -4.940 6.550 7.610 1.00 51.32 N ATOM 1325 CA LEU A 80 -5.039 6.383 6.150 1.00 40.50 C ATOM 1326 C LEU A 80 -5.513 7.696 5.500 1.00 52.25 C ATOM 1327 O LEU A 80 -4.873 8.209 4.580 1.00 24.11 O ATOM 1328 CB LEU A 80 -6.030 5.226 5.818 1.00 0.14 C ATOM 1329 CG LEU A 80 -5.670 4.295 4.617 1.00 54.42 C ATOM 1330 CD1 LEU A 80 -6.847 3.368 4.313 1.00 5.44 C ATOM 1331 CD2 LEU A 80 -5.226 5.071 3.352 1.00 52.45 C ATOM 0 H LEU A 80 -5.575 5.944 8.130 1.00 51.32 H new ATOM 0 HA LEU A 80 -4.056 6.132 5.751 1.00 40.50 H new ATOM 0 HB2 LEU A 80 -6.132 4.604 6.707 1.00 0.14 H new ATOM 0 HB3 LEU A 80 -7.008 5.666 5.622 1.00 0.14 H new ATOM 0 HG LEU A 80 -4.806 3.701 4.915 1.00 54.42 H new ATOM 0 HD11 LEU A 80 -6.592 2.720 3.474 1.00 5.44 H new ATOM 0 HD12 LEU A 80 -7.066 2.758 5.190 1.00 5.44 H new ATOM 0 HD13 LEU A 80 -7.723 3.964 4.058 1.00 5.44 H new ATOM 0 HD21 LEU A 80 -4.991 4.365 2.556 1.00 52.45 H new ATOM 0 HD22 LEU A 80 -6.032 5.729 3.027 1.00 52.45 H new ATOM 0 HD23 LEU A 80 -4.342 5.666 3.582 1.00 52.45 H new ATOM 1343 N GLU A 81 -6.634 8.230 6.040 1.00 3.34 N ATOM 1344 CA GLU A 81 -7.245 9.495 5.584 1.00 3.01 C ATOM 1345 C GLU A 81 -6.246 10.652 5.689 1.00 3.43 C ATOM 1346 O GLU A 81 -6.190 11.508 4.808 1.00 14.14 O ATOM 1347 CB GLU A 81 -8.525 9.805 6.409 1.00 44.14 C ATOM 1348 CG GLU A 81 -9.688 8.832 6.149 1.00 74.24 C ATOM 1349 CD GLU A 81 -10.880 9.031 7.091 1.00 25.33 C ATOM 1350 OE1 GLU A 81 -11.621 10.020 6.927 1.00 14.34 O ATOM 1351 OE2 GLU A 81 -11.095 8.192 7.993 1.00 52.23 O ATOM 0 H GLU A 81 -7.141 7.790 6.809 1.00 3.34 H new ATOM 0 HA GLU A 81 -7.524 9.382 4.536 1.00 3.01 H new ATOM 0 HB2 GLU A 81 -8.276 9.782 7.470 1.00 44.14 H new ATOM 0 HB3 GLU A 81 -8.855 10.819 6.181 1.00 44.14 H new ATOM 0 HG2 GLU A 81 -10.026 8.951 5.120 1.00 74.24 H new ATOM 0 HG3 GLU A 81 -9.324 7.810 6.249 1.00 74.24 H new ATOM 1358 N GLN A 82 -5.431 10.620 6.757 1.00 75.30 N ATOM 1359 CA GLN A 82 -4.418 11.642 7.027 1.00 32.42 C ATOM 1360 C GLN A 82 -3.299 11.617 5.965 1.00 40.11 C ATOM 1361 O GLN A 82 -2.811 12.679 5.553 1.00 52.20 O ATOM 1362 CB GLN A 82 -3.834 11.473 8.456 1.00 3.11 C ATOM 1363 CG GLN A 82 -4.827 11.726 9.607 1.00 34.22 C ATOM 1364 CD GLN A 82 -5.468 13.113 9.567 1.00 23.23 C ATOM 1365 OE1 GLN A 82 -4.936 14.077 10.117 1.00 70.13 O ATOM 1366 NE2 GLN A 82 -6.624 13.223 8.931 1.00 62.12 N ATOM 0 H GLN A 82 -5.460 9.879 7.457 1.00 75.30 H new ATOM 0 HA GLN A 82 -4.903 12.617 6.971 1.00 32.42 H new ATOM 0 HB2 GLN A 82 -3.441 10.461 8.553 1.00 3.11 H new ATOM 0 HB3 GLN A 82 -2.991 12.154 8.569 1.00 3.11 H new ATOM 0 HG2 GLN A 82 -5.612 10.971 9.571 1.00 34.22 H new ATOM 0 HG3 GLN A 82 -4.308 11.602 10.558 1.00 34.22 H new ATOM 0 HE21 GLN A 82 -7.040 12.406 8.485 1.00 62.12 H new ATOM 0 HE22 GLN A 82 -7.098 14.125 8.887 1.00 62.12 H new ATOM 1375 N VAL A 83 -2.907 10.406 5.519 1.00 31.24 N ATOM 1376 CA VAL A 83 -1.901 10.244 4.449 1.00 1.43 C ATOM 1377 C VAL A 83 -2.460 10.732 3.092 1.00 3.12 C ATOM 1378 O VAL A 83 -1.778 11.460 2.382 1.00 44.23 O ATOM 1379 CB VAL A 83 -1.382 8.762 4.327 1.00 11.44 C ATOM 1380 CG1 VAL A 83 -0.357 8.615 3.171 1.00 4.14 C ATOM 1381 CG2 VAL A 83 -0.773 8.278 5.664 1.00 20.52 C ATOM 0 H VAL A 83 -3.272 9.526 5.883 1.00 31.24 H new ATOM 0 HA VAL A 83 -1.047 10.862 4.725 1.00 1.43 H new ATOM 0 HB VAL A 83 -2.240 8.131 4.094 1.00 11.44 H new ATOM 0 HG11 VAL A 83 -0.019 7.580 3.114 1.00 4.14 H new ATOM 0 HG12 VAL A 83 -0.828 8.895 2.229 1.00 4.14 H new ATOM 0 HG13 VAL A 83 0.497 9.266 3.357 1.00 4.14 H new ATOM 0 HG21 VAL A 83 -0.422 7.252 5.554 1.00 20.52 H new ATOM 0 HG22 VAL A 83 0.064 8.921 5.936 1.00 20.52 H new ATOM 0 HG23 VAL A 83 -1.532 8.320 6.446 1.00 20.52 H new ATOM 1391 N VAL A 84 -3.718 10.359 2.765 1.00 55.32 N ATOM 1392 CA VAL A 84 -4.379 10.740 1.488 1.00 73.03 C ATOM 1393 C VAL A 84 -4.491 12.276 1.355 1.00 51.22 C ATOM 1394 O VAL A 84 -4.266 12.836 0.270 1.00 44.45 O ATOM 1395 CB VAL A 84 -5.797 10.069 1.351 1.00 60.12 C ATOM 1396 CG1 VAL A 84 -6.512 10.482 0.039 1.00 12.23 C ATOM 1397 CG2 VAL A 84 -5.681 8.531 1.442 1.00 41.20 C ATOM 0 H VAL A 84 -4.305 9.788 3.373 1.00 55.32 H new ATOM 0 HA VAL A 84 -3.753 10.371 0.676 1.00 73.03 H new ATOM 0 HB VAL A 84 -6.406 10.428 2.181 1.00 60.12 H new ATOM 0 HG11 VAL A 84 -7.486 9.996 -0.013 1.00 12.23 H new ATOM 0 HG12 VAL A 84 -6.645 11.564 0.022 1.00 12.23 H new ATOM 0 HG13 VAL A 84 -5.908 10.177 -0.816 1.00 12.23 H new ATOM 0 HG21 VAL A 84 -6.671 8.085 1.345 1.00 41.20 H new ATOM 0 HG22 VAL A 84 -5.039 8.166 0.640 1.00 41.20 H new ATOM 0 HG23 VAL A 84 -5.251 8.255 2.405 1.00 41.20 H new ATOM 1407 N LYS A 85 -4.798 12.943 2.485 1.00 13.44 N ATOM 1408 CA LYS A 85 -4.830 14.421 2.575 1.00 21.22 C ATOM 1409 C LYS A 85 -3.423 15.029 2.351 1.00 5.23 C ATOM 1410 O LYS A 85 -3.299 16.151 1.856 1.00 41.53 O ATOM 1411 CB LYS A 85 -5.395 14.866 3.957 1.00 21.55 C ATOM 1412 CG LYS A 85 -6.893 14.538 4.166 1.00 35.42 C ATOM 1413 CD LYS A 85 -7.389 14.801 5.610 1.00 24.32 C ATOM 1414 CE LYS A 85 -7.245 16.270 6.058 1.00 63.15 C ATOM 1415 NZ LYS A 85 -8.016 17.217 5.200 1.00 13.01 N ATOM 0 H LYS A 85 -5.031 12.476 3.361 1.00 13.44 H new ATOM 0 HA LYS A 85 -5.486 14.791 1.787 1.00 21.22 H new ATOM 0 HB2 LYS A 85 -4.816 14.385 4.745 1.00 21.55 H new ATOM 0 HB3 LYS A 85 -5.251 15.941 4.066 1.00 21.55 H new ATOM 0 HG2 LYS A 85 -7.487 15.133 3.472 1.00 35.42 H new ATOM 0 HG3 LYS A 85 -7.066 13.491 3.916 1.00 35.42 H new ATOM 0 HD2 LYS A 85 -8.437 14.509 5.683 1.00 24.32 H new ATOM 0 HD3 LYS A 85 -6.832 14.165 6.298 1.00 24.32 H new ATOM 0 HE2 LYS A 85 -7.583 16.365 7.090 1.00 63.15 H new ATOM 0 HE3 LYS A 85 -6.191 16.548 6.041 1.00 63.15 H new ATOM 0 HZ1 LYS A 85 -7.896 18.186 5.558 1.00 13.01 H new ATOM 0 HZ2 LYS A 85 -7.666 17.163 4.222 1.00 13.01 H new ATOM 0 HZ3 LYS A 85 -9.024 16.963 5.221 1.00 13.01 H new ATOM 1429 N ASP A 86 -2.372 14.263 2.711 1.00 44.22 N ATOM 1430 CA ASP A 86 -0.959 14.689 2.579 1.00 55.33 C ATOM 1431 C ASP A 86 -0.444 14.521 1.139 1.00 15.13 C ATOM 1432 O ASP A 86 0.418 15.282 0.691 1.00 50.25 O ATOM 1433 CB ASP A 86 -0.054 13.911 3.574 1.00 13.54 C ATOM 1434 CG ASP A 86 1.402 14.428 3.588 1.00 55.35 C ATOM 1435 OD1 ASP A 86 1.662 15.459 4.236 1.00 33.50 O ATOM 1436 OD2 ASP A 86 2.292 13.813 2.975 1.00 14.11 O ATOM 0 H ASP A 86 -2.478 13.327 3.103 1.00 44.22 H new ATOM 0 HA ASP A 86 -0.916 15.750 2.823 1.00 55.33 H new ATOM 0 HB2 ASP A 86 -0.473 13.990 4.577 1.00 13.54 H new ATOM 0 HB3 ASP A 86 -0.057 12.853 3.310 1.00 13.54 H new ATOM 1441 N VAL A 87 -0.994 13.531 0.417 1.00 10.24 N ATOM 1442 CA VAL A 87 -0.633 13.265 -0.991 1.00 34.11 C ATOM 1443 C VAL A 87 -1.161 14.396 -1.912 1.00 30.42 C ATOM 1444 O VAL A 87 -0.700 14.561 -3.049 1.00 24.44 O ATOM 1445 CB VAL A 87 -1.177 11.861 -1.454 1.00 24.44 C ATOM 1446 CG1 VAL A 87 -0.726 11.494 -2.885 1.00 43.00 C ATOM 1447 CG2 VAL A 87 -0.747 10.762 -0.465 1.00 61.25 C ATOM 0 H VAL A 87 -1.699 12.893 0.788 1.00 10.24 H new ATOM 0 HA VAL A 87 0.454 13.244 -1.067 1.00 34.11 H new ATOM 0 HB VAL A 87 -2.265 11.932 -1.466 1.00 24.44 H new ATOM 0 HG11 VAL A 87 -1.128 10.517 -3.154 1.00 43.00 H new ATOM 0 HG12 VAL A 87 -1.094 12.244 -3.586 1.00 43.00 H new ATOM 0 HG13 VAL A 87 0.363 11.462 -2.926 1.00 43.00 H new ATOM 0 HG21 VAL A 87 -1.132 9.799 -0.801 1.00 61.25 H new ATOM 0 HG22 VAL A 87 0.341 10.721 -0.417 1.00 61.25 H new ATOM 0 HG23 VAL A 87 -1.146 10.987 0.524 1.00 61.25 H new