USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 748 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 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.802 K(o=-0.8,f=-1.6!) USER MOD Single : A 16 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00248) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 180:sc= -1.04 USER MOD Single : A 33 SER OG : rot 150:sc= 0.958 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 28:sc= 0.255 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.93 K(o=-0.93,f=-4.3!) USER MOD Single : A 46 ASN : amide:sc= -0.501 K(o=-0.5,f=-3.9!) USER MOD Single : A 53 LYS NZ :NH3+ -147:sc= 0 (180deg=-1.22) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 31:sc= 0.208 USER MOD Single : A 58 GLN : amide:sc= -2.94 K(o=-2.9,f=-5.3!) USER MOD Single : A 62 MET CE :methyl -155:sc= -0.247 (180deg=-1.32!) USER MOD Single : A 69 ASN : amide:sc= -0.0604 K(o=-0.06,f=-1.8!) USER MOD Single : A 73 GLN : amide:sc= -0.0149 X(o=-0.015,f=0) USER MOD Single : A 75 SER OG : rot -99:sc= 0.277 USER MOD Single : A 78 TYR OH : rot 5:sc= 0.00301 USER MOD Single : A 79 SER OG : rot 62:sc= 1.19 USER MOD Single : A 80 CYS SG : rot 180:sc= -0.0193 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.513 K(o=-0.51,f=-1.6!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot -120:sc= -0.358 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 36.350 -7.683 5.668 1.00 0.00 N ATOM 2 CA GLY A 1 37.026 -8.153 6.863 1.00 0.00 C ATOM 3 C GLY A 1 36.673 -7.334 8.089 1.00 0.00 C ATOM 4 O GLY A 1 36.837 -6.115 8.097 1.00 0.00 O ATOM 0 H1 GLY A 1 36.624 -8.275 4.858 1.00 0.00 H new ATOM 0 H2 GLY A 1 35.321 -7.741 5.806 1.00 0.00 H new ATOM 0 H3 GLY A 1 36.620 -6.696 5.482 1.00 0.00 H new ATOM 0 HA2 GLY A 1 36.763 -9.196 7.039 1.00 0.00 H new ATOM 0 HA3 GLY A 1 38.104 -8.118 6.705 1.00 0.00 H new ATOM 8 N SER A 2 36.184 -8.006 9.126 1.00 0.00 N ATOM 9 CA SER A 2 35.801 -7.332 10.361 1.00 0.00 C ATOM 10 C SER A 2 34.814 -6.203 10.080 1.00 0.00 C ATOM 11 O SER A 2 34.919 -5.116 10.648 1.00 0.00 O ATOM 12 CB SER A 2 37.038 -6.778 11.070 1.00 0.00 C ATOM 13 OG SER A 2 37.757 -7.811 11.722 1.00 0.00 O ATOM 0 H SER A 2 36.044 -9.016 9.136 1.00 0.00 H new ATOM 0 HA SER A 2 35.317 -8.062 11.009 1.00 0.00 H new ATOM 0 HB2 SER A 2 37.684 -6.282 10.346 1.00 0.00 H new ATOM 0 HB3 SER A 2 36.737 -6.025 11.798 1.00 0.00 H new ATOM 0 HG SER A 2 38.544 -7.432 12.166 1.00 0.00 H new ATOM 19 N SER A 3 33.854 -6.469 9.200 1.00 0.00 N ATOM 20 CA SER A 3 32.850 -5.475 8.839 1.00 0.00 C ATOM 21 C SER A 3 31.602 -5.625 9.704 1.00 0.00 C ATOM 22 O SER A 3 31.073 -4.645 10.226 1.00 0.00 O ATOM 23 CB SER A 3 32.479 -5.607 7.361 1.00 0.00 C ATOM 24 OG SER A 3 33.544 -5.185 6.528 1.00 0.00 O ATOM 0 H SER A 3 33.750 -7.365 8.724 1.00 0.00 H new ATOM 0 HA SER A 3 33.275 -4.486 9.012 1.00 0.00 H new ATOM 0 HB2 SER A 3 32.227 -6.644 7.137 1.00 0.00 H new ATOM 0 HB3 SER A 3 31.591 -5.011 7.151 1.00 0.00 H new ATOM 0 HG SER A 3 33.282 -5.281 5.588 1.00 0.00 H new ATOM 30 N GLY A 4 31.137 -6.862 9.851 1.00 0.00 N ATOM 31 CA GLY A 4 29.955 -7.120 10.653 1.00 0.00 C ATOM 32 C GLY A 4 28.965 -8.029 9.951 1.00 0.00 C ATOM 33 O GLY A 4 29.345 -9.059 9.394 1.00 0.00 O ATOM 0 H GLY A 4 31.558 -7.690 9.429 1.00 0.00 H new ATOM 0 HA2 GLY A 4 30.253 -7.574 11.598 1.00 0.00 H new ATOM 0 HA3 GLY A 4 29.469 -6.174 10.893 1.00 0.00 H new ATOM 37 N SER A 5 27.692 -7.648 9.979 1.00 0.00 N ATOM 38 CA SER A 5 26.643 -8.439 9.346 1.00 0.00 C ATOM 39 C SER A 5 25.856 -7.597 8.346 1.00 0.00 C ATOM 40 O SER A 5 25.052 -6.748 8.731 1.00 0.00 O ATOM 41 CB SER A 5 25.698 -9.012 10.403 1.00 0.00 C ATOM 42 OG SER A 5 26.212 -10.215 10.949 1.00 0.00 O ATOM 0 H SER A 5 27.362 -6.796 10.433 1.00 0.00 H new ATOM 0 HA SER A 5 27.116 -9.261 8.809 1.00 0.00 H new ATOM 0 HB2 SER A 5 25.551 -8.281 11.199 1.00 0.00 H new ATOM 0 HB3 SER A 5 24.721 -9.199 9.958 1.00 0.00 H new ATOM 0 HG SER A 5 25.590 -10.560 11.623 1.00 0.00 H new ATOM 48 N SER A 6 26.094 -7.839 7.061 1.00 0.00 N ATOM 49 CA SER A 6 25.411 -7.101 6.005 1.00 0.00 C ATOM 50 C SER A 6 24.468 -8.014 5.227 1.00 0.00 C ATOM 51 O SER A 6 24.544 -9.237 5.331 1.00 0.00 O ATOM 52 CB SER A 6 26.430 -6.471 5.053 1.00 0.00 C ATOM 53 OG SER A 6 26.968 -7.439 4.169 1.00 0.00 O ATOM 0 H SER A 6 26.755 -8.540 6.726 1.00 0.00 H new ATOM 0 HA SER A 6 24.822 -6.311 6.470 1.00 0.00 H new ATOM 0 HB2 SER A 6 25.954 -5.675 4.480 1.00 0.00 H new ATOM 0 HB3 SER A 6 27.234 -6.012 5.628 1.00 0.00 H new ATOM 0 HG SER A 6 27.615 -7.011 3.570 1.00 0.00 H new ATOM 59 N GLY A 7 23.577 -7.408 4.448 1.00 0.00 N ATOM 60 CA GLY A 7 22.631 -8.180 3.663 1.00 0.00 C ATOM 61 C GLY A 7 21.848 -7.321 2.690 1.00 0.00 C ATOM 62 O GLY A 7 22.124 -6.134 2.516 1.00 0.00 O ATOM 0 H GLY A 7 23.493 -6.397 4.346 1.00 0.00 H new ATOM 0 HA2 GLY A 7 23.167 -8.953 3.111 1.00 0.00 H new ATOM 0 HA3 GLY A 7 21.938 -8.689 4.333 1.00 0.00 H new ATOM 66 N PRO A 8 20.847 -7.926 2.034 1.00 0.00 N ATOM 67 CA PRO A 8 20.002 -7.228 1.061 1.00 0.00 C ATOM 68 C PRO A 8 19.083 -6.205 1.720 1.00 0.00 C ATOM 69 O PRO A 8 19.109 -6.025 2.938 1.00 0.00 O ATOM 70 CB PRO A 8 19.181 -8.356 0.430 1.00 0.00 C ATOM 71 CG PRO A 8 19.148 -9.426 1.466 1.00 0.00 C ATOM 72 CD PRO A 8 20.462 -9.339 2.193 1.00 0.00 C ATOM 0 HA PRO A 8 20.592 -6.659 0.343 1.00 0.00 H new ATOM 0 HB2 PRO A 8 18.176 -8.020 0.176 1.00 0.00 H new ATOM 0 HB3 PRO A 8 19.640 -8.712 -0.492 1.00 0.00 H new ATOM 0 HG2 PRO A 8 18.313 -9.280 2.151 1.00 0.00 H new ATOM 0 HG3 PRO A 8 19.019 -10.407 1.010 1.00 0.00 H new ATOM 0 HD2 PRO A 8 20.359 -9.612 3.243 1.00 0.00 H new ATOM 0 HD3 PRO A 8 21.205 -10.009 1.761 1.00 0.00 H new ATOM 80 N VAL A 9 18.269 -5.537 0.908 1.00 0.00 N ATOM 81 CA VAL A 9 17.341 -4.533 1.413 1.00 0.00 C ATOM 82 C VAL A 9 16.355 -5.144 2.402 1.00 0.00 C ATOM 83 O VAL A 9 15.796 -6.213 2.157 1.00 0.00 O ATOM 84 CB VAL A 9 16.555 -3.868 0.267 1.00 0.00 C ATOM 85 CG1 VAL A 9 15.694 -2.732 0.798 1.00 0.00 C ATOM 86 CG2 VAL A 9 17.506 -3.368 -0.810 1.00 0.00 C ATOM 0 H VAL A 9 18.234 -5.673 -0.102 1.00 0.00 H new ATOM 0 HA VAL A 9 17.939 -3.776 1.921 1.00 0.00 H new ATOM 0 HB VAL A 9 15.896 -4.613 -0.179 1.00 0.00 H new ATOM 0 HG11 VAL A 9 15.146 -2.275 -0.026 1.00 0.00 H new ATOM 0 HG12 VAL A 9 14.988 -3.123 1.531 1.00 0.00 H new ATOM 0 HG13 VAL A 9 16.330 -1.984 1.271 1.00 0.00 H new ATOM 0 HG21 VAL A 9 16.934 -2.901 -1.612 1.00 0.00 H new ATOM 0 HG22 VAL A 9 18.191 -2.637 -0.380 1.00 0.00 H new ATOM 0 HG23 VAL A 9 18.075 -4.207 -1.211 1.00 0.00 H new ATOM 96 N ARG A 10 16.145 -4.458 3.521 1.00 0.00 N ATOM 97 CA ARG A 10 15.227 -4.934 4.548 1.00 0.00 C ATOM 98 C ARG A 10 14.023 -4.004 4.675 1.00 0.00 C ATOM 99 O ARG A 10 13.942 -2.981 3.995 1.00 0.00 O ATOM 100 CB ARG A 10 15.945 -5.041 5.895 1.00 0.00 C ATOM 101 CG ARG A 10 16.815 -6.281 6.024 1.00 0.00 C ATOM 102 CD ARG A 10 17.661 -6.238 7.287 1.00 0.00 C ATOM 103 NE ARG A 10 18.696 -7.269 7.287 1.00 0.00 N ATOM 104 CZ ARG A 10 19.276 -7.728 8.390 1.00 0.00 C ATOM 105 NH1 ARG A 10 18.924 -7.251 9.576 1.00 0.00 N ATOM 106 NH2 ARG A 10 20.211 -8.666 8.308 1.00 0.00 N ATOM 0 H ARG A 10 16.598 -3.571 3.739 1.00 0.00 H new ATOM 0 HA ARG A 10 14.873 -5.922 4.253 1.00 0.00 H new ATOM 0 HB2 ARG A 10 16.565 -4.156 6.038 1.00 0.00 H new ATOM 0 HB3 ARG A 10 15.203 -5.043 6.694 1.00 0.00 H new ATOM 0 HG2 ARG A 10 16.184 -7.170 6.037 1.00 0.00 H new ATOM 0 HG3 ARG A 10 17.464 -6.364 5.152 1.00 0.00 H new ATOM 0 HD2 ARG A 10 18.127 -5.257 7.378 1.00 0.00 H new ATOM 0 HD3 ARG A 10 17.019 -6.369 8.158 1.00 0.00 H new ATOM 0 HE ARG A 10 18.989 -7.658 6.391 1.00 0.00 H new ATOM 0 HH11 ARG A 10 18.206 -6.530 9.643 1.00 0.00 H new ATOM 0 HH12 ARG A 10 19.371 -7.605 10.421 1.00 0.00 H new ATOM 0 HH21 ARG A 10 20.485 -9.035 7.397 1.00 0.00 H new ATOM 0 HH22 ARG A 10 20.656 -9.018 9.156 1.00 0.00 H new ATOM 120 N PHE A 11 13.090 -4.367 5.548 1.00 0.00 N ATOM 121 CA PHE A 11 11.890 -3.567 5.763 1.00 0.00 C ATOM 122 C PHE A 11 11.931 -2.880 7.125 1.00 0.00 C ATOM 123 O PHE A 11 11.302 -3.336 8.080 1.00 0.00 O ATOM 124 CB PHE A 11 10.641 -4.445 5.658 1.00 0.00 C ATOM 125 CG PHE A 11 10.097 -4.549 4.262 1.00 0.00 C ATOM 126 CD1 PHE A 11 9.644 -3.422 3.595 1.00 0.00 C ATOM 127 CD2 PHE A 11 10.038 -5.773 3.617 1.00 0.00 C ATOM 128 CE1 PHE A 11 9.142 -3.515 2.311 1.00 0.00 C ATOM 129 CE2 PHE A 11 9.538 -5.873 2.332 1.00 0.00 C ATOM 130 CZ PHE A 11 9.090 -4.742 1.678 1.00 0.00 C ATOM 0 H PHE A 11 13.142 -5.211 6.119 1.00 0.00 H new ATOM 0 HA PHE A 11 11.852 -2.799 4.990 1.00 0.00 H new ATOM 0 HB2 PHE A 11 10.878 -5.445 6.023 1.00 0.00 H new ATOM 0 HB3 PHE A 11 9.867 -4.042 6.312 1.00 0.00 H new ATOM 0 HD1 PHE A 11 9.684 -2.460 4.084 1.00 0.00 H new ATOM 0 HD2 PHE A 11 10.387 -6.660 4.124 1.00 0.00 H new ATOM 0 HE1 PHE A 11 8.791 -2.629 1.803 1.00 0.00 H new ATOM 0 HE2 PHE A 11 9.498 -6.834 1.840 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.700 -4.817 0.674 1.00 0.00 H new ATOM 140 N GLN A 12 12.675 -1.782 7.205 1.00 0.00 N ATOM 141 CA GLN A 12 12.799 -1.033 8.450 1.00 0.00 C ATOM 142 C GLN A 12 11.435 -0.554 8.935 1.00 0.00 C ATOM 143 O GLN A 12 11.069 -0.761 10.091 1.00 0.00 O ATOM 144 CB GLN A 12 13.735 0.162 8.260 1.00 0.00 C ATOM 145 CG GLN A 12 14.182 0.798 9.566 1.00 0.00 C ATOM 146 CD GLN A 12 14.639 -0.225 10.587 1.00 0.00 C ATOM 147 OE1 GLN A 12 15.217 -1.254 10.236 1.00 0.00 O ATOM 148 NE2 GLN A 12 14.382 0.052 11.860 1.00 0.00 N ATOM 0 H GLN A 12 13.201 -1.391 6.423 1.00 0.00 H new ATOM 0 HA GLN A 12 13.219 -1.698 9.204 1.00 0.00 H new ATOM 0 HB2 GLN A 12 14.615 -0.161 7.703 1.00 0.00 H new ATOM 0 HB3 GLN A 12 13.232 0.914 7.653 1.00 0.00 H new ATOM 0 HG2 GLN A 12 14.996 1.495 9.366 1.00 0.00 H new ATOM 0 HG3 GLN A 12 13.360 1.379 9.983 1.00 0.00 H new ATOM 0 HE21 GLN A 12 13.900 0.917 12.107 1.00 0.00 H new ATOM 0 HE22 GLN A 12 14.666 -0.600 12.591 1.00 0.00 H new ATOM 157 N GLU A 13 10.687 0.088 8.042 1.00 0.00 N ATOM 158 CA GLU A 13 9.363 0.598 8.381 1.00 0.00 C ATOM 159 C GLU A 13 8.347 0.231 7.303 1.00 0.00 C ATOM 160 O GLU A 13 7.844 1.098 6.589 1.00 0.00 O ATOM 161 CB GLU A 13 9.408 2.117 8.560 1.00 0.00 C ATOM 162 CG GLU A 13 8.253 2.667 9.379 1.00 0.00 C ATOM 163 CD GLU A 13 8.232 4.183 9.414 1.00 0.00 C ATOM 164 OE1 GLU A 13 8.274 4.803 8.331 1.00 0.00 O ATOM 165 OE2 GLU A 13 8.174 4.749 10.526 1.00 0.00 O ATOM 0 H GLU A 13 10.975 0.267 7.080 1.00 0.00 H new ATOM 0 HA GLU A 13 9.053 0.138 9.319 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.347 2.390 9.042 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.404 2.590 7.578 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.313 2.304 8.964 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.320 2.285 10.398 1.00 0.00 H new ATOM 172 N ALA A 14 8.051 -1.060 7.192 1.00 0.00 N ATOM 173 CA ALA A 14 7.094 -1.541 6.203 1.00 0.00 C ATOM 174 C ALA A 14 5.695 -1.007 6.487 1.00 0.00 C ATOM 175 O ALA A 14 5.501 -0.197 7.395 1.00 0.00 O ATOM 176 CB ALA A 14 7.085 -3.063 6.176 1.00 0.00 C ATOM 0 H ALA A 14 8.460 -1.791 7.774 1.00 0.00 H new ATOM 0 HA ALA A 14 7.403 -1.172 5.225 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.366 -3.409 5.433 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.079 -3.428 5.917 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.803 -3.443 7.158 1.00 0.00 H new ATOM 182 N LEU A 15 4.722 -1.463 5.705 1.00 0.00 N ATOM 183 CA LEU A 15 3.340 -1.030 5.872 1.00 0.00 C ATOM 184 C LEU A 15 2.864 -1.264 7.303 1.00 0.00 C ATOM 185 O LEU A 15 3.526 -1.947 8.085 1.00 0.00 O ATOM 186 CB LEU A 15 2.430 -1.772 4.893 1.00 0.00 C ATOM 187 CG LEU A 15 2.804 -1.662 3.414 1.00 0.00 C ATOM 188 CD1 LEU A 15 1.962 -2.614 2.578 1.00 0.00 C ATOM 189 CD2 LEU A 15 2.636 -0.231 2.927 1.00 0.00 C ATOM 0 H LEU A 15 4.865 -2.133 4.949 1.00 0.00 H new ATOM 0 HA LEU A 15 3.293 0.039 5.663 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.419 -2.827 5.167 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.414 -1.399 5.019 1.00 0.00 H new ATOM 0 HG LEU A 15 3.851 -1.942 3.302 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.242 -2.522 1.529 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.132 -3.638 2.910 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.907 -2.365 2.695 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.907 -0.171 1.873 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.598 0.077 3.053 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.283 0.429 3.505 1.00 0.00 H new ATOM 201 N LYS A 16 1.712 -0.694 7.639 1.00 0.00 N ATOM 202 CA LYS A 16 1.145 -0.843 8.974 1.00 0.00 C ATOM 203 C LYS A 16 -0.379 -0.799 8.925 1.00 0.00 C ATOM 204 O LYS A 16 -0.969 -0.545 7.875 1.00 0.00 O ATOM 205 CB LYS A 16 1.668 0.259 9.898 1.00 0.00 C ATOM 206 CG LYS A 16 3.138 0.109 10.252 1.00 0.00 C ATOM 207 CD LYS A 16 3.556 1.099 11.326 1.00 0.00 C ATOM 208 CE LYS A 16 5.070 1.224 11.409 1.00 0.00 C ATOM 209 NZ LYS A 16 5.708 -0.047 11.850 1.00 0.00 N ATOM 0 H LYS A 16 1.152 -0.124 7.005 1.00 0.00 H new ATOM 0 HA LYS A 16 1.451 -1.813 9.366 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.515 1.226 9.419 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.080 0.261 10.816 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.328 -0.907 10.598 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.745 0.260 9.360 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.120 2.075 11.112 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.163 0.779 12.291 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.465 1.509 10.434 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.331 2.022 12.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.736 0.089 11.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.325 -0.324 12.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.509 -0.795 11.155 1.00 0.00 H new ATOM 223 N ASP A 17 -1.010 -1.047 10.068 1.00 0.00 N ATOM 224 CA ASP A 17 -2.465 -1.033 10.156 1.00 0.00 C ATOM 225 C ASP A 17 -3.003 0.390 10.045 1.00 0.00 C ATOM 226 O ASP A 17 -2.754 1.229 10.911 1.00 0.00 O ATOM 227 CB ASP A 17 -2.924 -1.663 11.472 1.00 0.00 C ATOM 228 CG ASP A 17 -2.224 -1.063 12.676 1.00 0.00 C ATOM 229 OD1 ASP A 17 -1.103 -1.512 12.995 1.00 0.00 O ATOM 230 OD2 ASP A 17 -2.797 -0.144 13.298 1.00 0.00 O ATOM 0 H ASP A 17 -0.536 -1.260 10.946 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.860 -1.617 9.325 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -4.001 -1.531 11.578 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.735 -2.736 11.443 1.00 0.00 H new ATOM 235 N LEU A 18 -3.741 0.656 8.972 1.00 0.00 N ATOM 236 CA LEU A 18 -4.314 1.978 8.746 1.00 0.00 C ATOM 237 C LEU A 18 -5.818 1.971 8.999 1.00 0.00 C ATOM 238 O LEU A 18 -6.465 0.928 8.915 1.00 0.00 O ATOM 239 CB LEU A 18 -4.028 2.442 7.317 1.00 0.00 C ATOM 240 CG LEU A 18 -2.715 3.198 7.106 1.00 0.00 C ATOM 241 CD1 LEU A 18 -1.535 2.240 7.150 1.00 0.00 C ATOM 242 CD2 LEU A 18 -2.741 3.954 5.786 1.00 0.00 C ATOM 0 H LEU A 18 -3.956 -0.027 8.245 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.850 2.672 9.447 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.029 1.568 6.666 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.849 3.082 6.993 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.600 3.921 7.914 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.610 2.795 6.998 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.505 1.744 8.120 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.643 1.493 6.364 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.799 4.486 5.653 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.879 3.249 4.966 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.564 4.669 5.792 1.00 0.00 H new ATOM 254 N GLU A 19 -6.367 3.142 9.308 1.00 0.00 N ATOM 255 CA GLU A 19 -7.795 3.269 9.571 1.00 0.00 C ATOM 256 C GLU A 19 -8.363 4.516 8.900 1.00 0.00 C ATOM 257 O GLU A 19 -8.025 5.642 9.268 1.00 0.00 O ATOM 258 CB GLU A 19 -8.055 3.324 11.078 1.00 0.00 C ATOM 259 CG GLU A 19 -9.467 2.918 11.467 1.00 0.00 C ATOM 260 CD GLU A 19 -9.691 2.949 12.967 1.00 0.00 C ATOM 261 OE1 GLU A 19 -9.022 3.754 13.649 1.00 0.00 O ATOM 262 OE2 GLU A 19 -10.533 2.169 13.458 1.00 0.00 O ATOM 0 H GLU A 19 -5.845 4.015 9.382 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.295 2.394 9.155 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.345 2.670 11.585 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.866 4.337 11.434 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -10.179 3.586 10.983 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -9.668 1.914 11.094 1.00 0.00 H new ATOM 269 N VAL A 20 -9.229 4.308 7.913 1.00 0.00 N ATOM 270 CA VAL A 20 -9.845 5.415 7.190 1.00 0.00 C ATOM 271 C VAL A 20 -11.353 5.223 7.074 1.00 0.00 C ATOM 272 O VAL A 20 -11.852 4.098 7.120 1.00 0.00 O ATOM 273 CB VAL A 20 -9.247 5.565 5.778 1.00 0.00 C ATOM 274 CG1 VAL A 20 -9.639 6.903 5.172 1.00 0.00 C ATOM 275 CG2 VAL A 20 -7.734 5.412 5.822 1.00 0.00 C ATOM 0 H VAL A 20 -9.520 3.383 7.596 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.640 6.320 7.761 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.651 4.775 5.145 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.208 6.991 4.175 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.725 6.968 5.105 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.266 7.711 5.801 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.328 5.521 4.816 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.309 6.179 6.470 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.479 4.426 6.212 1.00 0.00 H new ATOM 285 N LEU A 21 -12.074 6.329 6.924 1.00 0.00 N ATOM 286 CA LEU A 21 -13.526 6.284 6.801 1.00 0.00 C ATOM 287 C LEU A 21 -13.948 6.244 5.335 1.00 0.00 C ATOM 288 O LEU A 21 -13.300 6.843 4.477 1.00 0.00 O ATOM 289 CB LEU A 21 -14.154 7.496 7.491 1.00 0.00 C ATOM 290 CG LEU A 21 -15.645 7.388 7.813 1.00 0.00 C ATOM 291 CD1 LEU A 21 -15.853 6.717 9.162 1.00 0.00 C ATOM 292 CD2 LEU A 21 -16.297 8.763 7.793 1.00 0.00 C ATOM 0 H LEU A 21 -11.676 7.267 6.885 1.00 0.00 H new ATOM 0 HA LEU A 21 -13.879 5.374 7.286 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -13.615 7.680 8.420 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -14.002 8.369 6.856 1.00 0.00 H new ATOM 0 HG LEU A 21 -16.118 6.773 7.048 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -16.920 6.649 9.374 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -15.423 5.716 9.140 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -15.365 7.305 9.940 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -17.358 8.666 8.024 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -15.820 9.402 8.536 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -16.180 9.207 6.804 1.00 0.00 H new ATOM 304 N GLU A 22 -15.038 5.537 5.057 1.00 0.00 N ATOM 305 CA GLU A 22 -15.546 5.421 3.695 1.00 0.00 C ATOM 306 C GLU A 22 -15.866 6.795 3.115 1.00 0.00 C ATOM 307 O GLU A 22 -16.695 7.530 3.650 1.00 0.00 O ATOM 308 CB GLU A 22 -16.797 4.540 3.667 1.00 0.00 C ATOM 309 CG GLU A 22 -17.531 4.568 2.337 1.00 0.00 C ATOM 310 CD GLU A 22 -16.868 3.698 1.286 1.00 0.00 C ATOM 311 OE1 GLU A 22 -15.620 3.685 1.229 1.00 0.00 O ATOM 312 OE2 GLU A 22 -17.595 3.031 0.521 1.00 0.00 O ATOM 0 H GLU A 22 -15.586 5.036 5.756 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.771 4.959 3.084 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -16.513 3.513 3.894 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -17.477 4.864 4.455 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -18.558 4.233 2.486 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -17.580 5.595 1.975 1.00 0.00 H new ATOM 319 N GLY A 23 -15.200 7.137 2.016 1.00 0.00 N ATOM 320 CA GLY A 23 -15.426 8.423 1.381 1.00 0.00 C ATOM 321 C GLY A 23 -14.151 9.229 1.235 1.00 0.00 C ATOM 322 O GLY A 23 -14.176 10.458 1.289 1.00 0.00 O ATOM 0 H GLY A 23 -14.508 6.547 1.554 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.868 8.266 0.397 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.147 8.993 1.967 1.00 0.00 H new ATOM 326 N GLY A 24 -13.031 8.536 1.052 1.00 0.00 N ATOM 327 CA GLY A 24 -11.756 9.212 0.903 1.00 0.00 C ATOM 328 C GLY A 24 -10.741 8.377 0.148 1.00 0.00 C ATOM 329 O GLY A 24 -11.094 7.649 -0.779 1.00 0.00 O ATOM 0 H GLY A 24 -12.984 7.518 1.004 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.908 10.155 0.379 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.360 9.455 1.889 1.00 0.00 H new ATOM 333 N ALA A 25 -9.477 8.484 0.543 1.00 0.00 N ATOM 334 CA ALA A 25 -8.408 7.732 -0.103 1.00 0.00 C ATOM 335 C ALA A 25 -7.474 7.109 0.929 1.00 0.00 C ATOM 336 O ALA A 25 -7.363 7.596 2.053 1.00 0.00 O ATOM 337 CB ALA A 25 -7.628 8.632 -1.050 1.00 0.00 C ATOM 0 H ALA A 25 -9.168 9.084 1.307 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.861 6.924 -0.678 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.833 8.058 -1.526 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.299 9.025 -1.814 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.193 9.459 -0.490 1.00 0.00 H new ATOM 343 N ALA A 26 -6.804 6.030 0.538 1.00 0.00 N ATOM 344 CA ALA A 26 -5.878 5.342 1.429 1.00 0.00 C ATOM 345 C ALA A 26 -4.441 5.471 0.933 1.00 0.00 C ATOM 346 O ALA A 26 -4.116 5.051 -0.178 1.00 0.00 O ATOM 347 CB ALA A 26 -6.263 3.876 1.560 1.00 0.00 C ATOM 0 H ALA A 26 -6.885 5.614 -0.390 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.940 5.812 2.411 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.563 3.374 2.228 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.271 3.800 1.967 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.231 3.402 0.579 1.00 0.00 H new ATOM 353 N THR A 27 -3.584 6.055 1.764 1.00 0.00 N ATOM 354 CA THR A 27 -2.182 6.241 1.410 1.00 0.00 C ATOM 355 C THR A 27 -1.279 5.348 2.252 1.00 0.00 C ATOM 356 O THR A 27 -1.111 5.572 3.452 1.00 0.00 O ATOM 357 CB THR A 27 -1.747 7.708 1.591 1.00 0.00 C ATOM 358 OG1 THR A 27 -2.673 8.578 0.931 1.00 0.00 O ATOM 359 CG2 THR A 27 -0.349 7.930 1.034 1.00 0.00 C ATOM 0 H THR A 27 -3.836 6.408 2.687 1.00 0.00 H new ATOM 0 HA THR A 27 -2.082 5.967 0.360 1.00 0.00 H new ATOM 0 HB THR A 27 -1.736 7.932 2.658 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.391 9.509 1.052 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.063 8.973 1.173 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.358 7.287 1.558 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.338 7.690 -0.029 1.00 0.00 H new ATOM 367 N LEU A 28 -0.699 4.335 1.618 1.00 0.00 N ATOM 368 CA LEU A 28 0.189 3.407 2.309 1.00 0.00 C ATOM 369 C LEU A 28 1.634 3.894 2.256 1.00 0.00 C ATOM 370 O LEU A 28 2.193 4.092 1.177 1.00 0.00 O ATOM 371 CB LEU A 28 0.086 2.013 1.688 1.00 0.00 C ATOM 372 CG LEU A 28 -1.219 1.258 1.947 1.00 0.00 C ATOM 373 CD1 LEU A 28 -2.236 1.563 0.859 1.00 0.00 C ATOM 374 CD2 LEU A 28 -0.961 -0.239 2.035 1.00 0.00 C ATOM 0 H LEU A 28 -0.828 4.135 0.626 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.120 3.357 3.353 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.221 2.106 0.610 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.913 1.409 2.062 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.627 1.592 2.901 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.158 1.017 1.060 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.443 2.633 0.844 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.837 1.258 -0.108 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.901 -0.760 2.220 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.530 -0.590 1.097 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.268 -0.441 2.851 1.00 0.00 H new ATOM 386 N ARG A 29 2.233 4.083 3.427 1.00 0.00 N ATOM 387 CA ARG A 29 3.613 4.545 3.513 1.00 0.00 C ATOM 388 C ARG A 29 4.516 3.457 4.088 1.00 0.00 C ATOM 389 O ARG A 29 4.068 2.610 4.862 1.00 0.00 O ATOM 390 CB ARG A 29 3.698 5.804 4.378 1.00 0.00 C ATOM 391 CG ARG A 29 3.433 7.089 3.611 1.00 0.00 C ATOM 392 CD ARG A 29 3.492 8.304 4.523 1.00 0.00 C ATOM 393 NE ARG A 29 2.372 8.342 5.459 1.00 0.00 N ATOM 394 CZ ARG A 29 2.197 9.303 6.359 1.00 0.00 C ATOM 395 NH1 ARG A 29 3.066 10.301 6.444 1.00 0.00 N ATOM 396 NH2 ARG A 29 1.152 9.267 7.175 1.00 0.00 N ATOM 0 H ARG A 29 1.784 3.923 4.329 1.00 0.00 H new ATOM 0 HA ARG A 29 3.955 4.781 2.505 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.980 5.723 5.194 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.689 5.858 4.830 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.168 7.196 2.813 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.453 7.036 3.137 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.429 8.294 5.080 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.490 9.211 3.919 1.00 0.00 H new ATOM 0 HE ARG A 29 1.686 7.588 5.420 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.870 10.332 5.818 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.930 11.038 7.136 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.482 8.501 7.112 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.019 10.006 7.866 1.00 0.00 H new ATOM 410 N CYS A 30 5.787 3.488 3.705 1.00 0.00 N ATOM 411 CA CYS A 30 6.753 2.504 4.182 1.00 0.00 C ATOM 412 C CYS A 30 8.173 2.904 3.795 1.00 0.00 C ATOM 413 O CYS A 30 8.442 3.239 2.641 1.00 0.00 O ATOM 414 CB CYS A 30 6.427 1.122 3.614 1.00 0.00 C ATOM 415 SG CYS A 30 6.353 1.064 1.809 1.00 0.00 S ATOM 0 H CYS A 30 6.173 4.183 3.066 1.00 0.00 H new ATOM 0 HA CYS A 30 6.689 2.466 5.269 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.179 0.413 3.959 1.00 0.00 H new ATOM 0 HB3 CYS A 30 5.469 0.792 4.017 1.00 0.00 H new ATOM 0 HG CYS A 30 6.074 -0.146 1.425 1.00 0.00 H new ATOM 421 N VAL A 31 9.079 2.868 4.767 1.00 0.00 N ATOM 422 CA VAL A 31 10.471 3.227 4.529 1.00 0.00 C ATOM 423 C VAL A 31 11.363 1.990 4.511 1.00 0.00 C ATOM 424 O VAL A 31 11.403 1.227 5.477 1.00 0.00 O ATOM 425 CB VAL A 31 10.990 4.205 5.599 1.00 0.00 C ATOM 426 CG1 VAL A 31 12.470 4.488 5.392 1.00 0.00 C ATOM 427 CG2 VAL A 31 10.184 5.495 5.577 1.00 0.00 C ATOM 0 H VAL A 31 8.873 2.593 5.728 1.00 0.00 H new ATOM 0 HA VAL A 31 10.509 3.713 3.554 1.00 0.00 H new ATOM 0 HB VAL A 31 10.867 3.743 6.579 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.818 5.181 6.158 1.00 0.00 H new ATOM 0 HG12 VAL A 31 13.032 3.557 5.463 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.622 4.929 4.407 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.564 6.175 6.340 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.273 5.963 4.597 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.136 5.273 5.779 1.00 0.00 H new ATOM 437 N LEU A 32 12.076 1.798 3.407 1.00 0.00 N ATOM 438 CA LEU A 32 12.969 0.653 3.263 1.00 0.00 C ATOM 439 C LEU A 32 14.352 0.967 3.826 1.00 0.00 C ATOM 440 O LEU A 32 14.816 2.105 3.761 1.00 0.00 O ATOM 441 CB LEU A 32 13.084 0.253 1.791 1.00 0.00 C ATOM 442 CG LEU A 32 11.765 0.086 1.036 1.00 0.00 C ATOM 443 CD1 LEU A 32 11.948 0.417 -0.437 1.00 0.00 C ATOM 444 CD2 LEU A 32 11.229 -1.328 1.205 1.00 0.00 C ATOM 0 H LEU A 32 12.054 2.420 2.599 1.00 0.00 H new ATOM 0 HA LEU A 32 12.547 -0.179 3.827 1.00 0.00 H new ATOM 0 HB2 LEU A 32 13.681 1.006 1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 32 13.635 -0.686 1.732 1.00 0.00 H new ATOM 0 HG LEU A 32 11.037 0.781 1.456 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.999 0.293 -0.959 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.286 1.448 -0.539 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.691 -0.252 -0.871 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.290 -1.429 0.661 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.954 -2.041 0.813 1.00 0.00 H new ATOM 0 HD23 LEU A 32 11.059 -1.529 2.263 1.00 0.00 H new ATOM 456 N SER A 33 15.005 -0.051 4.378 1.00 0.00 N ATOM 457 CA SER A 33 16.334 0.116 4.954 1.00 0.00 C ATOM 458 C SER A 33 17.234 0.918 4.019 1.00 0.00 C ATOM 459 O SER A 33 17.993 1.781 4.460 1.00 0.00 O ATOM 460 CB SER A 33 16.964 -1.249 5.240 1.00 0.00 C ATOM 461 OG SER A 33 17.279 -1.928 4.037 1.00 0.00 O ATOM 0 H SER A 33 14.635 -1.000 4.438 1.00 0.00 H new ATOM 0 HA SER A 33 16.231 0.664 5.890 1.00 0.00 H new ATOM 0 HB2 SER A 33 17.868 -1.118 5.835 1.00 0.00 H new ATOM 0 HB3 SER A 33 16.277 -1.853 5.833 1.00 0.00 H new ATOM 0 HG SER A 33 18.056 -2.507 4.182 1.00 0.00 H new ATOM 467 N SER A 34 17.144 0.626 2.725 1.00 0.00 N ATOM 468 CA SER A 34 17.952 1.317 1.727 1.00 0.00 C ATOM 469 C SER A 34 17.086 1.804 0.570 1.00 0.00 C ATOM 470 O SER A 34 15.982 1.306 0.352 1.00 0.00 O ATOM 471 CB SER A 34 19.052 0.392 1.202 1.00 0.00 C ATOM 472 OG SER A 34 20.094 0.248 2.152 1.00 0.00 O ATOM 0 H SER A 34 16.520 -0.084 2.343 1.00 0.00 H new ATOM 0 HA SER A 34 18.412 2.183 2.203 1.00 0.00 H new ATOM 0 HB2 SER A 34 18.629 -0.586 0.970 1.00 0.00 H new ATOM 0 HB3 SER A 34 19.456 0.793 0.273 1.00 0.00 H new ATOM 0 HG SER A 34 20.783 -0.349 1.793 1.00 0.00 H new ATOM 478 N VAL A 35 17.596 2.783 -0.171 1.00 0.00 N ATOM 479 CA VAL A 35 16.872 3.339 -1.308 1.00 0.00 C ATOM 480 C VAL A 35 17.007 2.446 -2.536 1.00 0.00 C ATOM 481 O VAL A 35 18.015 2.491 -3.240 1.00 0.00 O ATOM 482 CB VAL A 35 17.373 4.753 -1.656 1.00 0.00 C ATOM 483 CG1 VAL A 35 16.499 5.379 -2.732 1.00 0.00 C ATOM 484 CG2 VAL A 35 17.411 5.626 -0.412 1.00 0.00 C ATOM 0 H VAL A 35 18.508 3.208 -0.004 1.00 0.00 H new ATOM 0 HA VAL A 35 15.823 3.395 -1.018 1.00 0.00 H new ATOM 0 HB VAL A 35 18.388 4.675 -2.047 1.00 0.00 H new ATOM 0 HG11 VAL A 35 16.868 6.378 -2.965 1.00 0.00 H new ATOM 0 HG12 VAL A 35 16.530 4.762 -3.630 1.00 0.00 H new ATOM 0 HG13 VAL A 35 15.472 5.446 -2.373 1.00 0.00 H new ATOM 0 HG21 VAL A 35 17.767 6.621 -0.677 1.00 0.00 H new ATOM 0 HG22 VAL A 35 16.409 5.700 0.011 1.00 0.00 H new ATOM 0 HG23 VAL A 35 18.084 5.183 0.323 1.00 0.00 H new ATOM 494 N ALA A 36 15.985 1.635 -2.787 1.00 0.00 N ATOM 495 CA ALA A 36 15.989 0.732 -3.932 1.00 0.00 C ATOM 496 C ALA A 36 14.676 0.818 -4.703 1.00 0.00 C ATOM 497 O ALA A 36 13.619 1.061 -4.122 1.00 0.00 O ATOM 498 CB ALA A 36 16.243 -0.697 -3.477 1.00 0.00 C ATOM 0 H ALA A 36 15.143 1.584 -2.213 1.00 0.00 H new ATOM 0 HA ALA A 36 16.794 1.037 -4.601 1.00 0.00 H new ATOM 0 HB1 ALA A 36 16.243 -1.360 -4.342 1.00 0.00 H new ATOM 0 HB2 ALA A 36 17.210 -0.753 -2.977 1.00 0.00 H new ATOM 0 HB3 ALA A 36 15.458 -1.004 -2.785 1.00 0.00 H new ATOM 504 N ALA A 37 14.752 0.619 -6.015 1.00 0.00 N ATOM 505 CA ALA A 37 13.569 0.673 -6.865 1.00 0.00 C ATOM 506 C ALA A 37 13.889 0.203 -8.280 1.00 0.00 C ATOM 507 O ALA A 37 15.049 0.064 -8.667 1.00 0.00 O ATOM 508 CB ALA A 37 13.001 2.084 -6.890 1.00 0.00 C ATOM 0 H ALA A 37 15.620 0.419 -6.512 1.00 0.00 H new ATOM 0 HA ALA A 37 12.820 0.000 -6.448 1.00 0.00 H new ATOM 0 HB1 ALA A 37 12.118 2.110 -7.529 1.00 0.00 H new ATOM 0 HB2 ALA A 37 12.726 2.384 -5.879 1.00 0.00 H new ATOM 0 HB3 ALA A 37 13.751 2.771 -7.281 1.00 0.00 H new ATOM 514 N PRO A 38 12.836 -0.048 -9.073 1.00 0.00 N ATOM 515 CA PRO A 38 11.450 0.113 -8.624 1.00 0.00 C ATOM 516 C PRO A 38 11.049 -0.937 -7.593 1.00 0.00 C ATOM 517 O PRO A 38 11.836 -1.821 -7.254 1.00 0.00 O ATOM 518 CB PRO A 38 10.638 -0.062 -9.909 1.00 0.00 C ATOM 519 CG PRO A 38 11.501 -0.895 -10.792 1.00 0.00 C ATOM 520 CD PRO A 38 12.918 -0.509 -10.469 1.00 0.00 C ATOM 0 HA PRO A 38 11.290 1.072 -8.130 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.685 -0.552 -9.711 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.413 0.900 -10.369 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.335 -1.957 -10.611 1.00 0.00 H new ATOM 0 HG3 PRO A 38 11.276 -0.712 -11.843 1.00 0.00 H new ATOM 0 HD2 PRO A 38 13.599 -1.354 -10.574 1.00 0.00 H new ATOM 0 HD3 PRO A 38 13.281 0.277 -11.131 1.00 0.00 H new ATOM 528 N VAL A 39 9.820 -0.835 -7.098 1.00 0.00 N ATOM 529 CA VAL A 39 9.313 -1.777 -6.107 1.00 0.00 C ATOM 530 C VAL A 39 8.155 -2.594 -6.668 1.00 0.00 C ATOM 531 O VAL A 39 7.372 -2.105 -7.482 1.00 0.00 O ATOM 532 CB VAL A 39 8.846 -1.052 -4.831 1.00 0.00 C ATOM 533 CG1 VAL A 39 8.008 0.168 -5.186 1.00 0.00 C ATOM 534 CG2 VAL A 39 8.066 -2.002 -3.935 1.00 0.00 C ATOM 0 H VAL A 39 9.156 -0.109 -7.367 1.00 0.00 H new ATOM 0 HA VAL A 39 10.136 -2.445 -5.855 1.00 0.00 H new ATOM 0 HB VAL A 39 9.725 -0.712 -4.284 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.687 0.667 -4.272 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.603 0.856 -5.786 1.00 0.00 H new ATOM 0 HG13 VAL A 39 7.133 -0.145 -5.755 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.743 -1.474 -3.038 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.193 -2.373 -4.471 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.702 -2.841 -3.653 1.00 0.00 H new ATOM 544 N LYS A 40 8.052 -3.843 -6.226 1.00 0.00 N ATOM 545 CA LYS A 40 6.988 -4.730 -6.681 1.00 0.00 C ATOM 546 C LYS A 40 5.911 -4.882 -5.611 1.00 0.00 C ATOM 547 O LYS A 40 6.181 -5.360 -4.509 1.00 0.00 O ATOM 548 CB LYS A 40 7.560 -6.103 -7.042 1.00 0.00 C ATOM 549 CG LYS A 40 6.616 -6.956 -7.871 1.00 0.00 C ATOM 550 CD LYS A 40 7.376 -7.937 -8.749 1.00 0.00 C ATOM 551 CE LYS A 40 6.602 -8.267 -10.016 1.00 0.00 C ATOM 552 NZ LYS A 40 7.501 -8.717 -11.114 1.00 0.00 N ATOM 0 H LYS A 40 8.693 -4.264 -5.553 1.00 0.00 H new ATOM 0 HA LYS A 40 6.535 -4.287 -7.568 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.491 -5.966 -7.592 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.808 -6.637 -6.125 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.944 -7.503 -7.210 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.996 -6.313 -8.495 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.345 -7.515 -9.013 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.569 -8.853 -8.190 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.871 -9.047 -9.802 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.045 -7.388 -10.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.935 -8.932 -11.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.182 -7.963 -11.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.014 -9.570 -10.815 1.00 0.00 H new ATOM 566 N TRP A 41 4.692 -4.475 -5.944 1.00 0.00 N ATOM 567 CA TRP A 41 3.574 -4.568 -5.011 1.00 0.00 C ATOM 568 C TRP A 41 2.809 -5.872 -5.207 1.00 0.00 C ATOM 569 O TRP A 41 2.899 -6.504 -6.260 1.00 0.00 O ATOM 570 CB TRP A 41 2.632 -3.377 -5.193 1.00 0.00 C ATOM 571 CG TRP A 41 3.161 -2.105 -4.601 1.00 0.00 C ATOM 572 CD1 TRP A 41 4.009 -1.215 -5.197 1.00 0.00 C ATOM 573 CD2 TRP A 41 2.879 -1.584 -3.298 1.00 0.00 C ATOM 574 NE1 TRP A 41 4.271 -0.172 -4.342 1.00 0.00 N ATOM 575 CE2 TRP A 41 3.589 -0.374 -3.171 1.00 0.00 C ATOM 576 CE3 TRP A 41 2.094 -2.020 -2.227 1.00 0.00 C ATOM 577 CZ2 TRP A 41 3.537 0.401 -2.016 1.00 0.00 C ATOM 578 CZ3 TRP A 41 2.044 -1.250 -1.081 1.00 0.00 C ATOM 579 CH2 TRP A 41 2.761 -0.050 -0.983 1.00 0.00 C ATOM 0 H TRP A 41 4.452 -4.078 -6.852 1.00 0.00 H new ATOM 0 HA TRP A 41 3.976 -4.553 -3.998 1.00 0.00 H new ATOM 0 HB2 TRP A 41 2.450 -3.226 -6.257 1.00 0.00 H new ATOM 0 HB3 TRP A 41 1.671 -3.610 -4.735 1.00 0.00 H new ATOM 0 HD1 TRP A 41 4.414 -1.316 -6.193 1.00 0.00 H new ATOM 0 HE1 TRP A 41 4.875 0.624 -4.546 1.00 0.00 H new ATOM 0 HE3 TRP A 41 1.536 -2.942 -2.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 4.090 1.326 -1.938 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 1.442 -1.578 -0.247 1.00 0.00 H new ATOM 0 HH2 TRP A 41 2.700 0.530 -0.074 1.00 0.00 H new ATOM 590 N CYS A 42 2.055 -6.269 -4.188 1.00 0.00 N ATOM 591 CA CYS A 42 1.274 -7.499 -4.248 1.00 0.00 C ATOM 592 C CYS A 42 0.021 -7.391 -3.385 1.00 0.00 C ATOM 593 O CYS A 42 0.105 -7.186 -2.174 1.00 0.00 O ATOM 594 CB CYS A 42 2.121 -8.689 -3.792 1.00 0.00 C ATOM 595 SG CYS A 42 3.088 -9.456 -5.113 1.00 0.00 S ATOM 0 H CYS A 42 1.968 -5.757 -3.310 1.00 0.00 H new ATOM 0 HA CYS A 42 0.968 -7.655 -5.282 1.00 0.00 H new ATOM 0 HB2 CYS A 42 2.799 -8.358 -3.005 1.00 0.00 H new ATOM 0 HB3 CYS A 42 1.465 -9.441 -3.353 1.00 0.00 H new ATOM 0 HG CYS A 42 3.352 -8.571 -6.028 1.00 0.00 H new ATOM 601 N TYR A 43 -1.139 -7.528 -4.017 1.00 0.00 N ATOM 602 CA TYR A 43 -2.410 -7.441 -3.307 1.00 0.00 C ATOM 603 C TYR A 43 -3.452 -8.357 -3.942 1.00 0.00 C ATOM 604 O TYR A 43 -3.952 -8.085 -5.033 1.00 0.00 O ATOM 605 CB TYR A 43 -2.918 -5.998 -3.303 1.00 0.00 C ATOM 606 CG TYR A 43 -4.400 -5.879 -3.026 1.00 0.00 C ATOM 607 CD1 TYR A 43 -4.939 -6.319 -1.823 1.00 0.00 C ATOM 608 CD2 TYR A 43 -5.260 -5.325 -3.966 1.00 0.00 C ATOM 609 CE1 TYR A 43 -6.292 -6.212 -1.566 1.00 0.00 C ATOM 610 CE2 TYR A 43 -6.614 -5.213 -3.716 1.00 0.00 C ATOM 611 CZ TYR A 43 -7.126 -5.658 -2.515 1.00 0.00 C ATOM 612 OH TYR A 43 -8.474 -5.549 -2.262 1.00 0.00 O ATOM 0 H TYR A 43 -1.226 -7.700 -5.019 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.246 -7.764 -2.279 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -2.370 -5.431 -2.551 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -2.700 -5.542 -4.269 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -4.289 -6.752 -1.077 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -4.863 -4.976 -4.908 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -6.695 -6.560 -0.627 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -7.269 -4.779 -4.457 1.00 0.00 H new ATOM 0 HH TYR A 43 -8.919 -5.136 -3.031 1.00 0.00 H new ATOM 622 N GLY A 44 -3.774 -9.445 -3.249 1.00 0.00 N ATOM 623 CA GLY A 44 -4.755 -10.385 -3.759 1.00 0.00 C ATOM 624 C GLY A 44 -4.609 -10.625 -5.249 1.00 0.00 C ATOM 625 O GLY A 44 -3.796 -11.443 -5.676 1.00 0.00 O ATOM 0 H GLY A 44 -3.373 -9.692 -2.344 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -4.655 -11.333 -3.230 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.757 -10.008 -3.551 1.00 0.00 H new ATOM 629 N ASN A 45 -5.400 -9.909 -6.042 1.00 0.00 N ATOM 630 CA ASN A 45 -5.356 -10.049 -7.493 1.00 0.00 C ATOM 631 C ASN A 45 -3.918 -10.016 -8.000 1.00 0.00 C ATOM 632 O ASN A 45 -2.994 -9.692 -7.255 1.00 0.00 O ATOM 633 CB ASN A 45 -6.169 -8.937 -8.159 1.00 0.00 C ATOM 634 CG ASN A 45 -5.520 -7.575 -8.005 1.00 0.00 C ATOM 635 OD1 ASN A 45 -4.600 -7.227 -8.745 1.00 0.00 O ATOM 636 ND2 ASN A 45 -5.997 -6.798 -7.040 1.00 0.00 N ATOM 0 H ASN A 45 -6.079 -9.226 -5.704 1.00 0.00 H new ATOM 0 HA ASN A 45 -5.792 -11.014 -7.753 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -6.288 -9.162 -9.219 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -7.168 -8.911 -7.725 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.599 -5.871 -6.888 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -6.761 -7.128 -6.450 1.00 0.00 H new ATOM 643 N ASN A 46 -3.737 -10.353 -9.273 1.00 0.00 N ATOM 644 CA ASN A 46 -2.411 -10.362 -9.880 1.00 0.00 C ATOM 645 C ASN A 46 -1.649 -9.083 -9.542 1.00 0.00 C ATOM 646 O ASN A 46 -2.219 -8.131 -9.009 1.00 0.00 O ATOM 647 CB ASN A 46 -2.523 -10.515 -11.398 1.00 0.00 C ATOM 648 CG ASN A 46 -1.184 -10.801 -12.051 1.00 0.00 C ATOM 649 OD1 ASN A 46 -0.300 -11.404 -11.442 1.00 0.00 O ATOM 650 ND2 ASN A 46 -1.029 -10.367 -13.296 1.00 0.00 N ATOM 0 H ASN A 46 -4.492 -10.623 -9.904 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.860 -11.211 -9.475 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -3.217 -11.324 -11.629 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -2.944 -9.603 -11.822 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -0.150 -10.529 -13.787 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -1.789 -9.872 -13.762 1.00 0.00 H new ATOM 657 N VAL A 47 -0.358 -9.070 -9.857 1.00 0.00 N ATOM 658 CA VAL A 47 0.482 -7.908 -9.588 1.00 0.00 C ATOM 659 C VAL A 47 -0.225 -6.616 -9.982 1.00 0.00 C ATOM 660 O VAL A 47 -0.930 -6.564 -10.991 1.00 0.00 O ATOM 661 CB VAL A 47 1.822 -7.998 -10.343 1.00 0.00 C ATOM 662 CG1 VAL A 47 1.591 -7.972 -11.846 1.00 0.00 C ATOM 663 CG2 VAL A 47 2.749 -6.870 -9.917 1.00 0.00 C ATOM 0 H VAL A 47 0.129 -9.850 -10.298 1.00 0.00 H new ATOM 0 HA VAL A 47 0.677 -7.899 -8.516 1.00 0.00 H new ATOM 0 HB VAL A 47 2.299 -8.945 -10.090 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.549 -8.036 -12.362 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.966 -8.818 -12.133 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.092 -7.043 -12.121 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.691 -6.949 -10.460 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.281 -5.911 -10.139 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.940 -6.941 -8.846 1.00 0.00 H new ATOM 673 N LEU A 48 -0.031 -5.575 -9.181 1.00 0.00 N ATOM 674 CA LEU A 48 -0.649 -4.280 -9.446 1.00 0.00 C ATOM 675 C LEU A 48 0.246 -3.420 -10.332 1.00 0.00 C ATOM 676 O LEU A 48 1.470 -3.549 -10.305 1.00 0.00 O ATOM 677 CB LEU A 48 -0.937 -3.552 -8.131 1.00 0.00 C ATOM 678 CG LEU A 48 -1.823 -4.296 -7.132 1.00 0.00 C ATOM 679 CD1 LEU A 48 -1.818 -3.590 -5.785 1.00 0.00 C ATOM 680 CD2 LEU A 48 -3.242 -4.420 -7.666 1.00 0.00 C ATOM 0 H LEU A 48 0.549 -5.602 -8.343 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.588 -4.454 -9.971 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.014 -3.329 -7.647 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.408 -2.597 -8.363 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.419 -5.299 -6.995 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.454 -4.134 -5.087 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.800 -3.555 -5.397 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.196 -2.575 -5.905 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.858 -4.952 -6.941 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.656 -3.426 -7.833 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.230 -4.971 -8.606 1.00 0.00 H new ATOM 692 N ARG A 49 -0.373 -2.541 -11.113 1.00 0.00 N ATOM 693 CA ARG A 49 0.368 -1.658 -12.006 1.00 0.00 C ATOM 694 C ARG A 49 -0.117 -0.218 -11.873 1.00 0.00 C ATOM 695 O ARG A 49 -1.295 0.046 -11.632 1.00 0.00 O ATOM 696 CB ARG A 49 0.222 -2.125 -13.456 1.00 0.00 C ATOM 697 CG ARG A 49 0.574 -3.589 -13.663 1.00 0.00 C ATOM 698 CD ARG A 49 0.542 -3.967 -15.136 1.00 0.00 C ATOM 699 NE ARG A 49 1.477 -3.169 -15.925 1.00 0.00 N ATOM 700 CZ ARG A 49 1.185 -1.970 -16.418 1.00 0.00 C ATOM 701 NH1 ARG A 49 -0.008 -1.434 -16.204 1.00 0.00 N ATOM 702 NH2 ARG A 49 2.088 -1.305 -17.127 1.00 0.00 N ATOM 0 H ARG A 49 -1.385 -2.421 -11.146 1.00 0.00 H new ATOM 0 HA ARG A 49 1.420 -1.696 -11.723 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.805 -1.958 -13.781 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.861 -1.513 -14.092 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.566 -3.787 -13.257 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.127 -4.215 -13.110 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.786 -5.024 -15.245 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.468 -3.831 -15.524 1.00 0.00 H new ATOM 0 HE ARG A 49 2.404 -3.553 -16.107 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.705 -1.942 -15.660 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.229 -0.513 -16.584 1.00 0.00 H new ATOM 0 HH21 ARG A 49 3.007 -1.714 -17.294 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.863 -0.385 -17.505 1.00 0.00 H new ATOM 716 N PRO A 50 0.811 0.737 -12.033 1.00 0.00 N ATOM 717 CA PRO A 50 0.502 2.166 -11.935 1.00 0.00 C ATOM 718 C PRO A 50 -0.345 2.658 -13.103 1.00 0.00 C ATOM 719 O PRO A 50 -0.220 2.166 -14.224 1.00 0.00 O ATOM 720 CB PRO A 50 1.881 2.830 -11.958 1.00 0.00 C ATOM 721 CG PRO A 50 2.757 1.860 -12.673 1.00 0.00 C ATOM 722 CD PRO A 50 2.235 0.494 -12.322 1.00 0.00 C ATOM 0 HA PRO A 50 -0.082 2.396 -11.044 1.00 0.00 H new ATOM 0 HB2 PRO A 50 1.850 3.790 -12.474 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.245 3.022 -10.949 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.725 2.025 -13.750 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.796 1.972 -12.364 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.364 -0.209 -13.145 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.754 0.075 -11.460 1.00 0.00 H new ATOM 730 N GLY A 51 -1.209 3.632 -12.834 1.00 0.00 N ATOM 731 CA GLY A 51 -2.064 4.174 -13.874 1.00 0.00 C ATOM 732 C GLY A 51 -2.894 5.346 -13.389 1.00 0.00 C ATOM 733 O GLY A 51 -2.374 6.264 -12.755 1.00 0.00 O ATOM 0 H GLY A 51 -1.332 4.055 -11.914 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.450 4.492 -14.716 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.727 3.390 -14.241 1.00 0.00 H new ATOM 737 N ASP A 52 -4.188 5.317 -13.689 1.00 0.00 N ATOM 738 CA ASP A 52 -5.092 6.385 -13.281 1.00 0.00 C ATOM 739 C ASP A 52 -5.721 6.077 -11.925 1.00 0.00 C ATOM 740 O ASP A 52 -5.699 6.906 -11.015 1.00 0.00 O ATOM 741 CB ASP A 52 -6.187 6.585 -14.330 1.00 0.00 C ATOM 742 CG ASP A 52 -5.651 7.176 -15.620 1.00 0.00 C ATOM 743 OD1 ASP A 52 -5.580 8.419 -15.718 1.00 0.00 O ATOM 744 OD2 ASP A 52 -5.304 6.395 -16.531 1.00 0.00 O ATOM 0 H ASP A 52 -4.634 4.565 -14.214 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.512 7.303 -13.193 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.662 5.627 -14.542 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.958 7.241 -13.926 1.00 0.00 H new ATOM 749 N LYS A 53 -6.281 4.879 -11.798 1.00 0.00 N ATOM 750 CA LYS A 53 -6.916 4.459 -10.554 1.00 0.00 C ATOM 751 C LYS A 53 -5.926 4.509 -9.394 1.00 0.00 C ATOM 752 O LYS A 53 -6.125 5.245 -8.427 1.00 0.00 O ATOM 753 CB LYS A 53 -7.479 3.044 -10.697 1.00 0.00 C ATOM 754 CG LYS A 53 -8.414 2.644 -9.569 1.00 0.00 C ATOM 755 CD LYS A 53 -9.737 3.386 -9.651 1.00 0.00 C ATOM 756 CE LYS A 53 -10.424 3.454 -8.296 1.00 0.00 C ATOM 757 NZ LYS A 53 -11.374 4.598 -8.212 1.00 0.00 N ATOM 0 H LYS A 53 -6.308 4.181 -12.542 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.733 5.149 -10.342 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.013 2.969 -11.644 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.652 2.336 -10.740 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.595 1.570 -9.609 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.938 2.851 -8.610 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.566 4.396 -10.024 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.391 2.888 -10.367 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.960 2.523 -8.114 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.672 3.548 -7.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.393 4.963 -7.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.067 5.352 -8.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.327 4.279 -8.480 1.00 0.00 H new ATOM 771 N TYR A 54 -4.861 3.723 -9.498 1.00 0.00 N ATOM 772 CA TYR A 54 -3.841 3.677 -8.457 1.00 0.00 C ATOM 773 C TYR A 54 -2.757 4.721 -8.709 1.00 0.00 C ATOM 774 O TYR A 54 -2.747 5.383 -9.747 1.00 0.00 O ATOM 775 CB TYR A 54 -3.215 2.283 -8.388 1.00 0.00 C ATOM 776 CG TYR A 54 -4.183 1.206 -7.953 1.00 0.00 C ATOM 777 CD1 TYR A 54 -4.884 1.316 -6.759 1.00 0.00 C ATOM 778 CD2 TYR A 54 -4.394 0.077 -8.736 1.00 0.00 C ATOM 779 CE1 TYR A 54 -5.769 0.334 -6.357 1.00 0.00 C ATOM 780 CE2 TYR A 54 -5.278 -0.909 -8.342 1.00 0.00 C ATOM 781 CZ TYR A 54 -5.963 -0.776 -7.152 1.00 0.00 C ATOM 782 OH TYR A 54 -6.843 -1.757 -6.756 1.00 0.00 O ATOM 0 H TYR A 54 -4.681 3.109 -10.292 1.00 0.00 H new ATOM 0 HA TYR A 54 -4.321 3.900 -7.504 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -2.814 2.025 -9.368 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -2.374 2.305 -7.695 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -4.735 2.184 -6.134 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -3.858 -0.031 -9.667 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -6.306 0.435 -5.425 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -5.432 -1.779 -8.963 1.00 0.00 H new ATOM 0 HH TYR A 54 -6.864 -2.469 -7.429 1.00 0.00 H new ATOM 792 N SER A 55 -1.846 4.862 -7.752 1.00 0.00 N ATOM 793 CA SER A 55 -0.759 5.827 -7.868 1.00 0.00 C ATOM 794 C SER A 55 0.459 5.371 -7.071 1.00 0.00 C ATOM 795 O SER A 55 0.429 5.323 -5.840 1.00 0.00 O ATOM 796 CB SER A 55 -1.216 7.203 -7.379 1.00 0.00 C ATOM 797 OG SER A 55 -1.779 7.959 -8.438 1.00 0.00 O ATOM 0 H SER A 55 -1.839 4.320 -6.888 1.00 0.00 H new ATOM 0 HA SER A 55 -0.479 5.897 -8.919 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.950 7.084 -6.582 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.369 7.741 -6.954 1.00 0.00 H new ATOM 0 HG SER A 55 -2.202 7.354 -9.083 1.00 0.00 H new ATOM 803 N LEU A 56 1.532 5.038 -7.781 1.00 0.00 N ATOM 804 CA LEU A 56 2.762 4.585 -7.141 1.00 0.00 C ATOM 805 C LEU A 56 3.873 5.617 -7.307 1.00 0.00 C ATOM 806 O LEU A 56 4.088 6.142 -8.400 1.00 0.00 O ATOM 807 CB LEU A 56 3.203 3.244 -7.730 1.00 0.00 C ATOM 808 CG LEU A 56 2.329 2.039 -7.383 1.00 0.00 C ATOM 809 CD1 LEU A 56 1.219 1.871 -8.409 1.00 0.00 C ATOM 810 CD2 LEU A 56 3.173 0.775 -7.297 1.00 0.00 C ATOM 0 H LEU A 56 1.575 5.073 -8.799 1.00 0.00 H new ATOM 0 HA LEU A 56 2.564 4.459 -6.077 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.239 3.341 -8.815 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.220 3.039 -7.394 1.00 0.00 H new ATOM 0 HG LEU A 56 1.872 2.215 -6.409 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.607 1.008 -8.145 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.597 2.766 -8.422 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.656 1.718 -9.396 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.534 -0.073 -7.049 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.658 0.595 -8.256 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.932 0.896 -6.524 1.00 0.00 H new ATOM 822 N ARG A 57 4.578 5.901 -6.217 1.00 0.00 N ATOM 823 CA ARG A 57 5.668 6.869 -6.242 1.00 0.00 C ATOM 824 C ARG A 57 6.833 6.398 -5.377 1.00 0.00 C ATOM 825 O ARG A 57 6.633 5.768 -4.339 1.00 0.00 O ATOM 826 CB ARG A 57 5.178 8.234 -5.756 1.00 0.00 C ATOM 827 CG ARG A 57 6.119 9.377 -6.099 1.00 0.00 C ATOM 828 CD ARG A 57 5.941 9.832 -7.539 1.00 0.00 C ATOM 829 NE ARG A 57 7.102 10.571 -8.027 1.00 0.00 N ATOM 830 CZ ARG A 57 7.071 11.373 -9.085 1.00 0.00 C ATOM 831 NH1 ARG A 57 5.944 11.539 -9.763 1.00 0.00 N ATOM 832 NH2 ARG A 57 8.170 12.012 -9.468 1.00 0.00 N ATOM 0 H ARG A 57 4.414 5.474 -5.305 1.00 0.00 H new ATOM 0 HA ARG A 57 6.015 6.961 -7.271 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.200 8.436 -6.193 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.043 8.198 -4.675 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.936 10.215 -5.426 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.150 9.061 -5.941 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.771 8.963 -8.175 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.054 10.461 -7.613 1.00 0.00 H new ATOM 0 HE ARG A 57 7.985 10.465 -7.528 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.097 11.050 -9.472 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.924 12.156 -10.575 1.00 0.00 H new ATOM 0 HH21 ARG A 57 9.039 11.887 -8.949 1.00 0.00 H new ATOM 0 HH22 ARG A 57 8.145 12.628 -10.281 1.00 0.00 H new ATOM 846 N GLN A 58 8.050 6.707 -5.813 1.00 0.00 N ATOM 847 CA GLN A 58 9.247 6.314 -5.079 1.00 0.00 C ATOM 848 C GLN A 58 10.127 7.524 -4.785 1.00 0.00 C ATOM 849 O GLN A 58 10.395 8.338 -5.668 1.00 0.00 O ATOM 850 CB GLN A 58 10.039 5.273 -5.872 1.00 0.00 C ATOM 851 CG GLN A 58 11.495 5.165 -5.450 1.00 0.00 C ATOM 852 CD GLN A 58 11.657 4.599 -4.053 1.00 0.00 C ATOM 853 OE1 GLN A 58 10.968 3.653 -3.670 1.00 0.00 O ATOM 854 NE2 GLN A 58 12.572 5.175 -3.282 1.00 0.00 N ATOM 0 H GLN A 58 8.233 7.228 -6.671 1.00 0.00 H new ATOM 0 HA GLN A 58 8.934 5.877 -4.131 1.00 0.00 H new ATOM 0 HB2 GLN A 58 9.562 4.300 -5.755 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.994 5.525 -6.932 1.00 0.00 H new ATOM 0 HG2 GLN A 58 12.029 4.532 -6.159 1.00 0.00 H new ATOM 0 HG3 GLN A 58 11.956 6.152 -5.494 1.00 0.00 H new ATOM 0 HE21 GLN A 58 13.121 5.957 -3.639 1.00 0.00 H new ATOM 0 HE22 GLN A 58 12.726 4.836 -2.332 1.00 0.00 H new ATOM 863 N GLU A 59 10.574 7.636 -3.537 1.00 0.00 N ATOM 864 CA GLU A 59 11.423 8.749 -3.128 1.00 0.00 C ATOM 865 C GLU A 59 12.183 8.410 -1.848 1.00 0.00 C ATOM 866 O GLU A 59 11.607 7.900 -0.888 1.00 0.00 O ATOM 867 CB GLU A 59 10.583 10.010 -2.916 1.00 0.00 C ATOM 868 CG GLU A 59 11.409 11.249 -2.616 1.00 0.00 C ATOM 869 CD GLU A 59 11.933 11.270 -1.193 1.00 0.00 C ATOM 870 OE1 GLU A 59 11.108 11.345 -0.259 1.00 0.00 O ATOM 871 OE2 GLU A 59 13.168 11.211 -1.014 1.00 0.00 O ATOM 0 H GLU A 59 10.362 6.971 -2.793 1.00 0.00 H new ATOM 0 HA GLU A 59 12.146 8.933 -3.923 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.983 10.191 -3.808 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.888 9.839 -2.094 1.00 0.00 H new ATOM 0 HG2 GLU A 59 12.249 11.298 -3.309 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.801 12.137 -2.789 1.00 0.00 H new ATOM 878 N GLY A 60 13.481 8.698 -1.844 1.00 0.00 N ATOM 879 CA GLY A 60 14.299 8.417 -0.679 1.00 0.00 C ATOM 880 C GLY A 60 13.861 7.162 0.048 1.00 0.00 C ATOM 881 O GLY A 60 13.455 7.219 1.209 1.00 0.00 O ATOM 0 H GLY A 60 13.980 9.121 -2.627 1.00 0.00 H new ATOM 0 HA2 GLY A 60 15.339 8.311 -0.987 1.00 0.00 H new ATOM 0 HA3 GLY A 60 14.254 9.264 0.006 1.00 0.00 H new ATOM 885 N ALA A 61 13.942 6.025 -0.635 1.00 0.00 N ATOM 886 CA ALA A 61 13.550 4.750 -0.047 1.00 0.00 C ATOM 887 C ALA A 61 12.192 4.856 0.638 1.00 0.00 C ATOM 888 O ALA A 61 12.023 4.415 1.774 1.00 0.00 O ATOM 889 CB ALA A 61 14.607 4.279 0.942 1.00 0.00 C ATOM 0 H ALA A 61 14.276 5.961 -1.597 1.00 0.00 H new ATOM 0 HA ALA A 61 13.466 4.017 -0.850 1.00 0.00 H new ATOM 0 HB1 ALA A 61 14.302 3.326 1.374 1.00 0.00 H new ATOM 0 HB2 ALA A 61 15.559 4.155 0.426 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.718 5.018 1.735 1.00 0.00 H new ATOM 895 N MET A 62 11.226 5.442 -0.062 1.00 0.00 N ATOM 896 CA MET A 62 9.882 5.605 0.479 1.00 0.00 C ATOM 897 C MET A 62 8.831 5.431 -0.613 1.00 0.00 C ATOM 898 O MET A 62 8.893 6.083 -1.657 1.00 0.00 O ATOM 899 CB MET A 62 9.734 6.981 1.131 1.00 0.00 C ATOM 900 CG MET A 62 8.418 7.166 1.869 1.00 0.00 C ATOM 901 SD MET A 62 7.093 7.745 0.792 1.00 0.00 S ATOM 902 CE MET A 62 6.174 8.792 1.918 1.00 0.00 C ATOM 0 H MET A 62 11.349 5.812 -1.005 1.00 0.00 H new ATOM 0 HA MET A 62 9.726 4.835 1.234 1.00 0.00 H new ATOM 0 HB2 MET A 62 10.557 7.133 1.829 1.00 0.00 H new ATOM 0 HB3 MET A 62 9.821 7.749 0.363 1.00 0.00 H new ATOM 0 HG2 MET A 62 8.124 6.220 2.323 1.00 0.00 H new ATOM 0 HG3 MET A 62 8.559 7.879 2.681 1.00 0.00 H new ATOM 0 HE1 MET A 62 5.139 8.864 1.585 1.00 0.00 H new ATOM 0 HE2 MET A 62 6.203 8.363 2.920 1.00 0.00 H new ATOM 0 HE3 MET A 62 6.620 9.787 1.936 1.00 0.00 H new ATOM 912 N LEU A 63 7.868 4.550 -0.367 1.00 0.00 N ATOM 913 CA LEU A 63 6.804 4.291 -1.331 1.00 0.00 C ATOM 914 C LEU A 63 5.498 4.942 -0.888 1.00 0.00 C ATOM 915 O LEU A 63 5.325 5.272 0.285 1.00 0.00 O ATOM 916 CB LEU A 63 6.602 2.785 -1.505 1.00 0.00 C ATOM 917 CG LEU A 63 7.814 1.999 -2.009 1.00 0.00 C ATOM 918 CD1 LEU A 63 8.405 2.663 -3.243 1.00 0.00 C ATOM 919 CD2 LEU A 63 8.863 1.875 -0.913 1.00 0.00 C ATOM 0 H LEU A 63 7.802 4.003 0.491 1.00 0.00 H new ATOM 0 HA LEU A 63 7.100 4.725 -2.286 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.296 2.367 -0.546 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.777 2.627 -2.200 1.00 0.00 H new ATOM 0 HG LEU A 63 7.485 0.997 -2.284 1.00 0.00 H new ATOM 0 HD11 LEU A 63 9.266 2.090 -3.587 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.654 2.699 -4.032 1.00 0.00 H new ATOM 0 HD13 LEU A 63 8.719 3.677 -2.995 1.00 0.00 H new ATOM 0 HD21 LEU A 63 9.718 1.313 -1.289 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.189 2.869 -0.607 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.435 1.354 -0.057 1.00 0.00 H new ATOM 931 N GLU A 64 4.582 5.123 -1.834 1.00 0.00 N ATOM 932 CA GLU A 64 3.291 5.734 -1.540 1.00 0.00 C ATOM 933 C GLU A 64 2.222 5.242 -2.512 1.00 0.00 C ATOM 934 O GLU A 64 2.296 5.498 -3.715 1.00 0.00 O ATOM 935 CB GLU A 64 3.396 7.259 -1.609 1.00 0.00 C ATOM 936 CG GLU A 64 2.266 7.979 -0.892 1.00 0.00 C ATOM 937 CD GLU A 64 2.153 9.436 -1.299 1.00 0.00 C ATOM 938 OE1 GLU A 64 1.695 9.701 -2.430 1.00 0.00 O ATOM 939 OE2 GLU A 64 2.523 10.310 -0.487 1.00 0.00 O ATOM 0 H GLU A 64 4.710 4.855 -2.810 1.00 0.00 H new ATOM 0 HA GLU A 64 3.001 5.442 -0.530 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.347 7.569 -1.175 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.407 7.567 -2.654 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.325 7.472 -1.104 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.426 7.917 0.184 1.00 0.00 H new ATOM 946 N LEU A 65 1.230 4.535 -1.983 1.00 0.00 N ATOM 947 CA LEU A 65 0.146 4.006 -2.803 1.00 0.00 C ATOM 948 C LEU A 65 -1.188 4.635 -2.413 1.00 0.00 C ATOM 949 O LEU A 65 -1.642 4.501 -1.277 1.00 0.00 O ATOM 950 CB LEU A 65 0.066 2.485 -2.659 1.00 0.00 C ATOM 951 CG LEU A 65 -1.248 1.837 -3.098 1.00 0.00 C ATOM 952 CD1 LEU A 65 -1.368 1.847 -4.614 1.00 0.00 C ATOM 953 CD2 LEU A 65 -1.347 0.416 -2.562 1.00 0.00 C ATOM 0 H LEU A 65 1.154 4.315 -0.990 1.00 0.00 H new ATOM 0 HA LEU A 65 0.355 4.256 -3.843 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.877 2.042 -3.237 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.243 2.229 -1.614 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.073 2.418 -2.685 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.309 1.382 -4.908 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.344 2.875 -4.974 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.537 1.291 -5.048 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.288 -0.030 -2.884 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.516 -0.176 -2.945 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.308 0.434 -1.473 1.00 0.00 H new ATOM 965 N VAL A 66 -1.813 5.322 -3.365 1.00 0.00 N ATOM 966 CA VAL A 66 -3.097 5.969 -3.122 1.00 0.00 C ATOM 967 C VAL A 66 -4.243 5.157 -3.716 1.00 0.00 C ATOM 968 O VAL A 66 -4.084 4.500 -4.744 1.00 0.00 O ATOM 969 CB VAL A 66 -3.129 7.391 -3.715 1.00 0.00 C ATOM 970 CG1 VAL A 66 -4.480 8.044 -3.463 1.00 0.00 C ATOM 971 CG2 VAL A 66 -2.004 8.234 -3.135 1.00 0.00 C ATOM 0 H VAL A 66 -1.451 5.445 -4.311 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.221 6.030 -2.041 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.982 7.321 -4.793 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.484 9.047 -3.889 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.265 7.449 -3.930 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.660 8.104 -2.390 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.041 9.235 -3.564 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.119 8.299 -2.053 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.045 7.773 -3.371 1.00 0.00 H new ATOM 981 N VAL A 67 -5.398 5.208 -3.060 1.00 0.00 N ATOM 982 CA VAL A 67 -6.572 4.478 -3.524 1.00 0.00 C ATOM 983 C VAL A 67 -7.825 5.343 -3.439 1.00 0.00 C ATOM 984 O VAL A 67 -8.346 5.593 -2.352 1.00 0.00 O ATOM 985 CB VAL A 67 -6.793 3.192 -2.706 1.00 0.00 C ATOM 986 CG1 VAL A 67 -8.024 2.449 -3.201 1.00 0.00 C ATOM 987 CG2 VAL A 67 -5.561 2.302 -2.770 1.00 0.00 C ATOM 0 H VAL A 67 -5.546 5.747 -2.207 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.388 4.210 -4.564 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.960 3.468 -1.665 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.164 1.543 -2.611 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.901 3.088 -3.098 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.891 2.182 -4.249 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.735 1.398 -2.187 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.361 2.032 -3.807 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.704 2.838 -2.363 1.00 0.00 H new ATOM 997 N ARG A 68 -8.304 5.795 -4.593 1.00 0.00 N ATOM 998 CA ARG A 68 -9.496 6.633 -4.649 1.00 0.00 C ATOM 999 C ARG A 68 -10.761 5.779 -4.657 1.00 0.00 C ATOM 1000 O ARG A 68 -10.715 4.588 -4.962 1.00 0.00 O ATOM 1001 CB ARG A 68 -9.462 7.523 -5.893 1.00 0.00 C ATOM 1002 CG ARG A 68 -8.458 8.660 -5.800 1.00 0.00 C ATOM 1003 CD ARG A 68 -8.971 9.786 -4.917 1.00 0.00 C ATOM 1004 NE ARG A 68 -9.816 10.720 -5.657 1.00 0.00 N ATOM 1005 CZ ARG A 68 -9.367 11.502 -6.633 1.00 0.00 C ATOM 1006 NH1 ARG A 68 -8.090 11.461 -6.985 1.00 0.00 N ATOM 1007 NH2 ARG A 68 -10.198 12.326 -7.259 1.00 0.00 N ATOM 0 H ARG A 68 -7.885 5.595 -5.501 1.00 0.00 H new ATOM 0 HA ARG A 68 -9.508 7.263 -3.760 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -9.224 6.910 -6.762 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -10.456 7.939 -6.059 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.516 8.283 -5.401 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.250 9.045 -6.798 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.537 9.366 -4.086 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.126 10.324 -4.488 1.00 0.00 H new ATOM 0 HE ARG A 68 -10.804 10.775 -5.411 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.449 10.828 -6.506 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -7.748 12.062 -7.735 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -11.182 12.359 -6.991 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.853 12.926 -8.008 1.00 0.00 H new ATOM 1021 N ASN A 69 -11.888 6.396 -4.319 1.00 0.00 N ATOM 1022 CA ASN A 69 -13.165 5.693 -4.286 1.00 0.00 C ATOM 1023 C ASN A 69 -13.078 4.449 -3.406 1.00 0.00 C ATOM 1024 O ASN A 69 -13.407 3.344 -3.840 1.00 0.00 O ATOM 1025 CB ASN A 69 -13.592 5.300 -5.702 1.00 0.00 C ATOM 1026 CG ASN A 69 -15.088 5.078 -5.814 1.00 0.00 C ATOM 1027 OD1 ASN A 69 -15.837 5.336 -4.872 1.00 0.00 O ATOM 1028 ND2 ASN A 69 -15.529 4.598 -6.971 1.00 0.00 N ATOM 0 H ASN A 69 -11.943 7.382 -4.064 1.00 0.00 H new ATOM 0 HA ASN A 69 -13.911 6.366 -3.862 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -13.290 6.081 -6.400 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -13.069 4.390 -5.997 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -16.526 4.429 -7.106 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -14.871 4.399 -7.724 1.00 0.00 H new ATOM 1035 N LEU A 70 -12.634 4.637 -2.168 1.00 0.00 N ATOM 1036 CA LEU A 70 -12.505 3.531 -1.226 1.00 0.00 C ATOM 1037 C LEU A 70 -13.830 2.793 -1.067 1.00 0.00 C ATOM 1038 O LEU A 70 -14.821 3.129 -1.716 1.00 0.00 O ATOM 1039 CB LEU A 70 -12.028 4.047 0.133 1.00 0.00 C ATOM 1040 CG LEU A 70 -10.532 4.337 0.254 1.00 0.00 C ATOM 1041 CD1 LEU A 70 -10.228 5.035 1.571 1.00 0.00 C ATOM 1042 CD2 LEU A 70 -9.728 3.050 0.133 1.00 0.00 C ATOM 0 H LEU A 70 -12.357 5.545 -1.793 1.00 0.00 H new ATOM 0 HA LEU A 70 -11.768 2.833 -1.622 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.575 4.961 0.364 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.298 3.313 0.893 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.243 5.001 -0.561 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.158 5.233 1.639 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -10.775 5.976 1.619 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -10.532 4.396 2.400 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.665 3.275 0.221 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.020 2.362 0.927 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.922 2.590 -0.836 1.00 0.00 H new ATOM 1054 N ARG A 71 -13.841 1.788 -0.198 1.00 0.00 N ATOM 1055 CA ARG A 71 -15.045 1.003 0.048 1.00 0.00 C ATOM 1056 C ARG A 71 -14.845 0.055 1.227 1.00 0.00 C ATOM 1057 O ARG A 71 -13.736 -0.399 1.509 1.00 0.00 O ATOM 1058 CB ARG A 71 -15.424 0.206 -1.202 1.00 0.00 C ATOM 1059 CG ARG A 71 -14.266 -0.578 -1.799 1.00 0.00 C ATOM 1060 CD ARG A 71 -14.440 -0.774 -3.297 1.00 0.00 C ATOM 1061 NE ARG A 71 -13.928 0.361 -4.060 1.00 0.00 N ATOM 1062 CZ ARG A 71 -13.608 0.296 -5.348 1.00 0.00 C ATOM 1063 NH1 ARG A 71 -13.747 -0.843 -6.012 1.00 0.00 N ATOM 1064 NH2 ARG A 71 -13.149 1.372 -5.974 1.00 0.00 N ATOM 0 H ARG A 71 -13.030 1.498 0.348 1.00 0.00 H new ATOM 0 HA ARG A 71 -15.854 1.692 0.291 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -16.229 -0.485 -0.952 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -15.814 0.891 -1.955 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -13.331 -0.052 -1.606 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -14.192 -1.549 -1.310 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -13.922 -1.682 -3.606 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -15.497 -0.916 -3.524 1.00 0.00 H new ATOM 0 HE ARG A 71 -13.810 1.252 -3.578 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -14.100 -1.672 -5.534 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -13.501 -0.890 -7.001 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -13.041 2.250 -5.467 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -12.904 1.321 -6.963 1.00 0.00 H new ATOM 1078 N PRO A 72 -15.944 -0.251 1.933 1.00 0.00 N ATOM 1079 CA PRO A 72 -15.915 -1.147 3.092 1.00 0.00 C ATOM 1080 C PRO A 72 -15.644 -2.596 2.699 1.00 0.00 C ATOM 1081 O PRO A 72 -15.535 -3.471 3.558 1.00 0.00 O ATOM 1082 CB PRO A 72 -17.320 -1.007 3.684 1.00 0.00 C ATOM 1083 CG PRO A 72 -18.174 -0.592 2.536 1.00 0.00 C ATOM 1084 CD PRO A 72 -17.298 0.253 1.653 1.00 0.00 C ATOM 0 HA PRO A 72 -15.117 -0.888 3.787 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -17.664 -1.948 4.114 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -17.341 -0.265 4.482 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -18.551 -1.461 1.996 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -19.042 -0.029 2.879 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -17.559 0.140 0.601 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -17.390 1.313 1.892 1.00 0.00 H new ATOM 1092 N GLN A 73 -15.538 -2.841 1.397 1.00 0.00 N ATOM 1093 CA GLN A 73 -15.280 -4.184 0.892 1.00 0.00 C ATOM 1094 C GLN A 73 -13.914 -4.259 0.219 1.00 0.00 C ATOM 1095 O GLN A 73 -13.732 -4.985 -0.759 1.00 0.00 O ATOM 1096 CB GLN A 73 -16.372 -4.598 -0.096 1.00 0.00 C ATOM 1097 CG GLN A 73 -16.567 -3.611 -1.236 1.00 0.00 C ATOM 1098 CD GLN A 73 -17.411 -4.177 -2.361 1.00 0.00 C ATOM 1099 OE1 GLN A 73 -18.518 -3.705 -2.620 1.00 0.00 O ATOM 1100 NE2 GLN A 73 -16.891 -5.195 -3.036 1.00 0.00 N ATOM 0 H GLN A 73 -15.627 -2.128 0.673 1.00 0.00 H new ATOM 0 HA GLN A 73 -15.286 -4.871 1.738 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -16.124 -5.575 -0.511 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -17.313 -4.710 0.442 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -17.040 -2.707 -0.852 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -15.593 -3.319 -1.629 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -15.969 -5.554 -2.787 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -17.413 -5.618 -3.804 1.00 0.00 H new ATOM 1109 N ASP A 74 -12.957 -3.505 0.748 1.00 0.00 N ATOM 1110 CA ASP A 74 -11.606 -3.487 0.199 1.00 0.00 C ATOM 1111 C ASP A 74 -10.592 -3.965 1.234 1.00 0.00 C ATOM 1112 O ASP A 74 -9.495 -4.402 0.887 1.00 0.00 O ATOM 1113 CB ASP A 74 -11.244 -2.079 -0.276 1.00 0.00 C ATOM 1114 CG ASP A 74 -9.817 -1.987 -0.780 1.00 0.00 C ATOM 1115 OD1 ASP A 74 -8.894 -1.914 0.059 1.00 0.00 O ATOM 1116 OD2 ASP A 74 -9.623 -1.988 -2.014 1.00 0.00 O ATOM 0 H ASP A 74 -13.092 -2.898 1.557 1.00 0.00 H new ATOM 0 HA ASP A 74 -11.577 -4.167 -0.652 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.927 -1.780 -1.071 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -11.383 -1.375 0.545 1.00 0.00 H new ATOM 1121 N SER A 75 -10.967 -3.877 2.506 1.00 0.00 N ATOM 1122 CA SER A 75 -10.088 -4.296 3.592 1.00 0.00 C ATOM 1123 C SER A 75 -9.669 -5.752 3.421 1.00 0.00 C ATOM 1124 O SER A 75 -10.416 -6.669 3.761 1.00 0.00 O ATOM 1125 CB SER A 75 -10.785 -4.109 4.941 1.00 0.00 C ATOM 1126 OG SER A 75 -11.184 -2.761 5.127 1.00 0.00 O ATOM 0 H SER A 75 -11.873 -3.520 2.810 1.00 0.00 H new ATOM 0 HA SER A 75 -9.194 -3.673 3.563 1.00 0.00 H new ATOM 0 HB2 SER A 75 -11.657 -4.761 4.997 1.00 0.00 H new ATOM 0 HB3 SER A 75 -10.113 -4.407 5.746 1.00 0.00 H new ATOM 0 HG SER A 75 -10.527 -2.300 5.689 1.00 0.00 H new ATOM 1132 N GLY A 76 -8.467 -5.958 2.891 1.00 0.00 N ATOM 1133 CA GLY A 76 -7.968 -7.305 2.683 1.00 0.00 C ATOM 1134 C GLY A 76 -6.571 -7.498 3.239 1.00 0.00 C ATOM 1135 O GLY A 76 -6.296 -7.137 4.384 1.00 0.00 O ATOM 0 H GLY A 76 -7.830 -5.216 2.602 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.645 -8.017 3.155 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -7.965 -7.527 1.616 1.00 0.00 H new ATOM 1139 N ARG A 77 -5.687 -8.069 2.428 1.00 0.00 N ATOM 1140 CA ARG A 77 -4.312 -8.312 2.846 1.00 0.00 C ATOM 1141 C ARG A 77 -3.326 -7.754 1.824 1.00 0.00 C ATOM 1142 O ARG A 77 -3.077 -8.368 0.787 1.00 0.00 O ATOM 1143 CB ARG A 77 -4.071 -9.811 3.037 1.00 0.00 C ATOM 1144 CG ARG A 77 -2.650 -10.151 3.455 1.00 0.00 C ATOM 1145 CD ARG A 77 -2.376 -11.642 3.334 1.00 0.00 C ATOM 1146 NE ARG A 77 -1.895 -12.003 2.003 1.00 0.00 N ATOM 1147 CZ ARG A 77 -1.560 -13.240 1.653 1.00 0.00 C ATOM 1148 NH1 ARG A 77 -1.653 -14.229 2.531 1.00 0.00 N ATOM 1149 NH2 ARG A 77 -1.131 -13.489 0.422 1.00 0.00 N ATOM 0 H ARG A 77 -5.899 -8.372 1.477 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.153 -7.801 3.796 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -4.762 -10.188 3.790 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.301 -10.329 2.106 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -1.945 -9.599 2.834 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -2.486 -9.832 4.484 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -1.637 -11.937 4.079 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.288 -12.197 3.553 1.00 0.00 H new ATOM 0 HE ARG A 77 -1.812 -11.265 1.304 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -1.982 -14.041 3.478 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -1.395 -15.178 2.260 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -1.058 -12.730 -0.256 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -0.874 -14.439 0.154 1.00 0.00 H new ATOM 1163 N TYR A 78 -2.769 -6.586 2.125 1.00 0.00 N ATOM 1164 CA TYR A 78 -1.813 -5.943 1.231 1.00 0.00 C ATOM 1165 C TYR A 78 -0.389 -6.399 1.538 1.00 0.00 C ATOM 1166 O TYR A 78 -0.002 -6.524 2.699 1.00 0.00 O ATOM 1167 CB TYR A 78 -1.911 -4.422 1.355 1.00 0.00 C ATOM 1168 CG TYR A 78 -3.023 -3.817 0.527 1.00 0.00 C ATOM 1169 CD1 TYR A 78 -4.314 -3.716 1.030 1.00 0.00 C ATOM 1170 CD2 TYR A 78 -2.781 -3.347 -0.758 1.00 0.00 C ATOM 1171 CE1 TYR A 78 -5.332 -3.165 0.277 1.00 0.00 C ATOM 1172 CE2 TYR A 78 -3.794 -2.793 -1.518 1.00 0.00 C ATOM 1173 CZ TYR A 78 -5.068 -2.705 -0.996 1.00 0.00 C ATOM 1174 OH TYR A 78 -6.079 -2.155 -1.749 1.00 0.00 O ATOM 0 H TYR A 78 -2.963 -6.066 2.981 1.00 0.00 H new ATOM 0 HA TYR A 78 -2.056 -6.234 0.209 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.065 -4.160 2.402 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -0.962 -3.979 1.052 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -4.525 -4.074 2.027 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -1.785 -3.416 -1.170 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -6.330 -3.095 0.683 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -3.589 -2.431 -2.515 1.00 0.00 H new ATOM 0 HH TYR A 78 -6.893 -2.092 -1.207 1.00 0.00 H new ATOM 1184 N SER A 79 0.386 -6.644 0.486 1.00 0.00 N ATOM 1185 CA SER A 79 1.766 -7.089 0.641 1.00 0.00 C ATOM 1186 C SER A 79 2.664 -6.449 -0.414 1.00 0.00 C ATOM 1187 O SER A 79 2.220 -6.145 -1.521 1.00 0.00 O ATOM 1188 CB SER A 79 1.847 -8.613 0.540 1.00 0.00 C ATOM 1189 OG SER A 79 3.114 -9.086 0.966 1.00 0.00 O ATOM 0 H SER A 79 0.082 -6.542 -0.482 1.00 0.00 H new ATOM 0 HA SER A 79 2.114 -6.779 1.626 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.064 -9.063 1.150 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.667 -8.922 -0.490 1.00 0.00 H new ATOM 0 HG SER A 79 3.252 -8.850 1.907 1.00 0.00 H new ATOM 1195 N CYS A 80 3.929 -6.250 -0.061 1.00 0.00 N ATOM 1196 CA CYS A 80 4.892 -5.646 -0.976 1.00 0.00 C ATOM 1197 C CYS A 80 6.136 -6.517 -1.109 1.00 0.00 C ATOM 1198 O CYS A 80 6.892 -6.687 -0.152 1.00 0.00 O ATOM 1199 CB CYS A 80 5.281 -4.249 -0.490 1.00 0.00 C ATOM 1200 SG CYS A 80 6.860 -3.655 -1.141 1.00 0.00 S ATOM 0 H CYS A 80 4.312 -6.498 0.851 1.00 0.00 H new ATOM 0 HA CYS A 80 4.423 -5.564 -1.956 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.497 -3.546 -0.772 1.00 0.00 H new ATOM 0 HB3 CYS A 80 5.328 -4.255 0.599 1.00 0.00 H new ATOM 0 HG CYS A 80 7.102 -2.466 -0.675 1.00 0.00 H new ATOM 1206 N SER A 81 6.342 -7.068 -2.301 1.00 0.00 N ATOM 1207 CA SER A 81 7.493 -7.927 -2.557 1.00 0.00 C ATOM 1208 C SER A 81 8.724 -7.096 -2.904 1.00 0.00 C ATOM 1209 O SER A 81 8.675 -6.225 -3.773 1.00 0.00 O ATOM 1210 CB SER A 81 7.184 -8.902 -3.695 1.00 0.00 C ATOM 1211 OG SER A 81 8.368 -9.513 -4.178 1.00 0.00 O ATOM 0 H SER A 81 5.728 -6.935 -3.104 1.00 0.00 H new ATOM 0 HA SER A 81 7.703 -8.493 -1.649 1.00 0.00 H new ATOM 0 HB2 SER A 81 6.493 -9.668 -3.344 1.00 0.00 H new ATOM 0 HB3 SER A 81 6.687 -8.372 -4.507 1.00 0.00 H new ATOM 0 HG SER A 81 8.144 -10.133 -4.903 1.00 0.00 H new ATOM 1217 N PHE A 82 9.829 -7.371 -2.219 1.00 0.00 N ATOM 1218 CA PHE A 82 11.074 -6.649 -2.453 1.00 0.00 C ATOM 1219 C PHE A 82 12.279 -7.511 -2.086 1.00 0.00 C ATOM 1220 O PHE A 82 12.426 -7.938 -0.942 1.00 0.00 O ATOM 1221 CB PHE A 82 11.095 -5.351 -1.643 1.00 0.00 C ATOM 1222 CG PHE A 82 11.891 -4.254 -2.290 1.00 0.00 C ATOM 1223 CD1 PHE A 82 11.311 -3.425 -3.236 1.00 0.00 C ATOM 1224 CD2 PHE A 82 13.220 -4.053 -1.953 1.00 0.00 C ATOM 1225 CE1 PHE A 82 12.041 -2.414 -3.833 1.00 0.00 C ATOM 1226 CE2 PHE A 82 13.955 -3.044 -2.546 1.00 0.00 C ATOM 1227 CZ PHE A 82 13.365 -2.224 -3.488 1.00 0.00 C ATOM 0 H PHE A 82 9.888 -8.089 -1.497 1.00 0.00 H new ATOM 0 HA PHE A 82 11.132 -6.408 -3.514 1.00 0.00 H new ATOM 0 HB2 PHE A 82 10.071 -5.008 -1.495 1.00 0.00 H new ATOM 0 HB3 PHE A 82 11.508 -5.555 -0.655 1.00 0.00 H new ATOM 0 HD1 PHE A 82 10.277 -3.570 -3.510 1.00 0.00 H new ATOM 0 HD2 PHE A 82 13.687 -4.692 -1.218 1.00 0.00 H new ATOM 0 HE1 PHE A 82 11.577 -1.774 -4.568 1.00 0.00 H new ATOM 0 HE2 PHE A 82 14.990 -2.897 -2.273 1.00 0.00 H new ATOM 0 HZ PHE A 82 13.938 -1.436 -3.954 1.00 0.00 H new ATOM 1237 N GLY A 83 13.140 -7.762 -3.068 1.00 0.00 N ATOM 1238 CA GLY A 83 14.320 -8.572 -2.830 1.00 0.00 C ATOM 1239 C GLY A 83 13.989 -9.909 -2.198 1.00 0.00 C ATOM 1240 O GLY A 83 13.358 -10.760 -2.824 1.00 0.00 O ATOM 0 H GLY A 83 13.041 -7.419 -4.023 1.00 0.00 H new ATOM 0 HA2 GLY A 83 14.839 -8.739 -3.774 1.00 0.00 H new ATOM 0 HA3 GLY A 83 15.006 -8.027 -2.181 1.00 0.00 H new ATOM 1244 N ASP A 84 14.416 -10.095 -0.954 1.00 0.00 N ATOM 1245 CA ASP A 84 14.161 -11.339 -0.236 1.00 0.00 C ATOM 1246 C ASP A 84 13.334 -11.082 1.020 1.00 0.00 C ATOM 1247 O ASP A 84 13.531 -11.731 2.047 1.00 0.00 O ATOM 1248 CB ASP A 84 15.480 -12.017 0.137 1.00 0.00 C ATOM 1249 CG ASP A 84 16.397 -12.197 -1.057 1.00 0.00 C ATOM 1250 OD1 ASP A 84 15.897 -12.579 -2.136 1.00 0.00 O ATOM 1251 OD2 ASP A 84 17.614 -11.956 -0.913 1.00 0.00 O ATOM 0 H ASP A 84 14.940 -9.401 -0.422 1.00 0.00 H new ATOM 0 HA ASP A 84 13.595 -11.999 -0.893 1.00 0.00 H new ATOM 0 HB2 ASP A 84 15.989 -11.422 0.896 1.00 0.00 H new ATOM 0 HB3 ASP A 84 15.272 -12.990 0.581 1.00 0.00 H new ATOM 1256 N GLN A 85 12.411 -10.130 0.930 1.00 0.00 N ATOM 1257 CA GLN A 85 11.556 -9.787 2.060 1.00 0.00 C ATOM 1258 C GLN A 85 10.106 -9.625 1.617 1.00 0.00 C ATOM 1259 O GLN A 85 9.832 -9.240 0.479 1.00 0.00 O ATOM 1260 CB GLN A 85 12.045 -8.498 2.724 1.00 0.00 C ATOM 1261 CG GLN A 85 13.537 -8.493 3.017 1.00 0.00 C ATOM 1262 CD GLN A 85 13.867 -9.089 4.371 1.00 0.00 C ATOM 1263 OE1 GLN A 85 12.988 -9.586 5.075 1.00 0.00 O ATOM 1264 NE2 GLN A 85 15.141 -9.042 4.744 1.00 0.00 N ATOM 0 H GLN A 85 12.236 -9.583 0.087 1.00 0.00 H new ATOM 0 HA GLN A 85 11.607 -10.602 2.782 1.00 0.00 H new ATOM 0 HB2 GLN A 85 11.807 -7.653 2.078 1.00 0.00 H new ATOM 0 HB3 GLN A 85 11.500 -8.350 3.656 1.00 0.00 H new ATOM 0 HG2 GLN A 85 14.058 -9.054 2.241 1.00 0.00 H new ATOM 0 HG3 GLN A 85 13.908 -7.469 2.975 1.00 0.00 H new ATOM 0 HE21 GLN A 85 15.837 -8.621 4.129 1.00 0.00 H new ATOM 0 HE22 GLN A 85 15.423 -9.427 5.645 1.00 0.00 H new ATOM 1273 N THR A 86 9.178 -9.923 2.521 1.00 0.00 N ATOM 1274 CA THR A 86 7.756 -9.813 2.223 1.00 0.00 C ATOM 1275 C THR A 86 6.981 -9.289 3.427 1.00 0.00 C ATOM 1276 O THR A 86 6.937 -9.929 4.477 1.00 0.00 O ATOM 1277 CB THR A 86 7.164 -11.170 1.797 1.00 0.00 C ATOM 1278 OG1 THR A 86 7.962 -11.747 0.758 1.00 0.00 O ATOM 1279 CG2 THR A 86 5.732 -11.007 1.312 1.00 0.00 C ATOM 0 H THR A 86 9.387 -10.243 3.467 1.00 0.00 H new ATOM 0 HA THR A 86 7.660 -9.108 1.397 1.00 0.00 H new ATOM 0 HB THR A 86 7.164 -11.830 2.664 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.580 -12.610 0.493 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.335 -11.978 1.017 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.121 -10.594 2.115 1.00 0.00 H new ATOM 0 HG23 THR A 86 5.712 -10.332 0.457 1.00 0.00 H new ATOM 1287 N THR A 87 6.369 -8.119 3.267 1.00 0.00 N ATOM 1288 CA THR A 87 5.595 -7.509 4.341 1.00 0.00 C ATOM 1289 C THR A 87 4.100 -7.602 4.063 1.00 0.00 C ATOM 1290 O THR A 87 3.675 -7.649 2.909 1.00 0.00 O ATOM 1291 CB THR A 87 5.978 -6.029 4.538 1.00 0.00 C ATOM 1292 OG1 THR A 87 5.129 -5.431 5.524 1.00 0.00 O ATOM 1293 CG2 THR A 87 5.863 -5.262 3.230 1.00 0.00 C ATOM 0 H THR A 87 6.395 -7.576 2.404 1.00 0.00 H new ATOM 0 HA THR A 87 5.827 -8.062 5.251 1.00 0.00 H new ATOM 0 HB THR A 87 7.013 -5.986 4.876 1.00 0.00 H new ATOM 0 HG1 THR A 87 4.641 -4.681 5.124 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.138 -4.220 3.394 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.532 -5.702 2.490 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.836 -5.313 2.867 1.00 0.00 H new ATOM 1301 N SER A 88 3.305 -7.629 5.128 1.00 0.00 N ATOM 1302 CA SER A 88 1.855 -7.720 4.998 1.00 0.00 C ATOM 1303 C SER A 88 1.161 -6.828 6.023 1.00 0.00 C ATOM 1304 O SER A 88 1.588 -6.738 7.174 1.00 0.00 O ATOM 1305 CB SER A 88 1.397 -9.169 5.172 1.00 0.00 C ATOM 1306 OG SER A 88 1.862 -9.708 6.397 1.00 0.00 O ATOM 0 H SER A 88 3.640 -7.589 6.090 1.00 0.00 H new ATOM 0 HA SER A 88 1.581 -7.377 4.000 1.00 0.00 H new ATOM 0 HB2 SER A 88 0.308 -9.216 5.141 1.00 0.00 H new ATOM 0 HB3 SER A 88 1.766 -9.772 4.342 1.00 0.00 H new ATOM 0 HG SER A 88 1.554 -10.634 6.485 1.00 0.00 H new ATOM 1312 N ALA A 89 0.087 -6.172 5.596 1.00 0.00 N ATOM 1313 CA ALA A 89 -0.668 -5.289 6.476 1.00 0.00 C ATOM 1314 C ALA A 89 -2.166 -5.402 6.213 1.00 0.00 C ATOM 1315 O ALA A 89 -2.594 -6.088 5.284 1.00 0.00 O ATOM 1316 CB ALA A 89 -0.207 -3.850 6.303 1.00 0.00 C ATOM 0 H ALA A 89 -0.280 -6.235 4.646 1.00 0.00 H new ATOM 0 HA ALA A 89 -0.482 -5.597 7.505 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -0.780 -3.202 6.967 1.00 0.00 H new ATOM 0 HB2 ALA A 89 0.852 -3.775 6.548 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -0.363 -3.540 5.270 1.00 0.00 H new ATOM 1322 N THR A 90 -2.960 -4.723 7.036 1.00 0.00 N ATOM 1323 CA THR A 90 -4.410 -4.749 6.892 1.00 0.00 C ATOM 1324 C THR A 90 -4.996 -3.344 6.976 1.00 0.00 C ATOM 1325 O THR A 90 -4.543 -2.517 7.769 1.00 0.00 O ATOM 1326 CB THR A 90 -5.066 -5.631 7.972 1.00 0.00 C ATOM 1327 OG1 THR A 90 -4.473 -6.934 7.966 1.00 0.00 O ATOM 1328 CG2 THR A 90 -6.564 -5.749 7.738 1.00 0.00 C ATOM 0 H THR A 90 -2.623 -4.149 7.809 1.00 0.00 H new ATOM 0 HA THR A 90 -4.622 -5.171 5.910 1.00 0.00 H new ATOM 0 HB THR A 90 -4.902 -5.162 8.942 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.894 -7.488 8.656 1.00 0.00 H new ATOM 0 HG21 THR A 90 -7.005 -6.376 8.513 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.017 -4.758 7.772 1.00 0.00 H new ATOM 0 HG23 THR A 90 -6.745 -6.197 6.761 1.00 0.00 H new ATOM 1336 N LEU A 91 -6.005 -3.079 6.154 1.00 0.00 N ATOM 1337 CA LEU A 91 -6.654 -1.773 6.135 1.00 0.00 C ATOM 1338 C LEU A 91 -8.060 -1.855 6.720 1.00 0.00 C ATOM 1339 O LEU A 91 -8.726 -2.887 6.624 1.00 0.00 O ATOM 1340 CB LEU A 91 -6.715 -1.232 4.705 1.00 0.00 C ATOM 1341 CG LEU A 91 -7.358 0.144 4.535 1.00 0.00 C ATOM 1342 CD1 LEU A 91 -6.617 1.186 5.359 1.00 0.00 C ATOM 1343 CD2 LEU A 91 -7.385 0.543 3.067 1.00 0.00 C ATOM 0 H LEU A 91 -6.392 -3.751 5.492 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.064 -1.093 6.749 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.700 -1.188 4.311 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -7.264 -1.946 4.091 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.385 0.090 4.895 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.089 2.159 5.225 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.651 0.908 6.412 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.579 1.238 5.031 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -7.846 1.525 2.965 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -6.366 0.579 2.681 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -7.962 -0.189 2.502 1.00 0.00 H new ATOM 1355 N THR A 92 -8.509 -0.760 7.325 1.00 0.00 N ATOM 1356 CA THR A 92 -9.837 -0.707 7.924 1.00 0.00 C ATOM 1357 C THR A 92 -10.688 0.381 7.279 1.00 0.00 C ATOM 1358 O THR A 92 -10.270 1.534 7.181 1.00 0.00 O ATOM 1359 CB THR A 92 -9.759 -0.451 9.441 1.00 0.00 C ATOM 1360 OG1 THR A 92 -9.130 -1.560 10.093 1.00 0.00 O ATOM 1361 CG2 THR A 92 -11.146 -0.232 10.025 1.00 0.00 C ATOM 0 H THR A 92 -7.972 0.103 7.413 1.00 0.00 H new ATOM 0 HA THR A 92 -10.301 -1.678 7.750 1.00 0.00 H new ATOM 0 HB THR A 92 -9.167 0.450 9.605 1.00 0.00 H new ATOM 0 HG1 THR A 92 -9.083 -1.389 11.057 1.00 0.00 H new ATOM 0 HG21 THR A 92 -11.065 -0.053 11.097 1.00 0.00 H new ATOM 0 HG22 THR A 92 -11.610 0.631 9.547 1.00 0.00 H new ATOM 0 HG23 THR A 92 -11.758 -1.117 9.850 1.00 0.00 H new ATOM 1369 N VAL A 93 -11.886 0.007 6.842 1.00 0.00 N ATOM 1370 CA VAL A 93 -12.798 0.951 6.208 1.00 0.00 C ATOM 1371 C VAL A 93 -14.193 0.863 6.818 1.00 0.00 C ATOM 1372 O VAL A 93 -14.852 -0.175 6.739 1.00 0.00 O ATOM 1373 CB VAL A 93 -12.896 0.705 4.691 1.00 0.00 C ATOM 1374 CG1 VAL A 93 -13.825 1.721 4.044 1.00 0.00 C ATOM 1375 CG2 VAL A 93 -11.516 0.751 4.054 1.00 0.00 C ATOM 0 H VAL A 93 -12.248 -0.944 6.916 1.00 0.00 H new ATOM 0 HA VAL A 93 -12.392 1.948 6.381 1.00 0.00 H new ATOM 0 HB VAL A 93 -13.313 -0.289 4.528 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -13.882 1.531 2.972 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -14.820 1.634 4.481 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -13.440 2.726 4.215 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -11.604 0.575 2.982 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -11.069 1.730 4.226 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -10.885 -0.019 4.497 1.00 0.00 H new ATOM 1385 N THR A 94 -14.638 1.958 7.425 1.00 0.00 N ATOM 1386 CA THR A 94 -15.954 2.004 8.049 1.00 0.00 C ATOM 1387 C THR A 94 -17.031 2.369 7.034 1.00 0.00 C ATOM 1388 O THR A 94 -16.863 3.297 6.243 1.00 0.00 O ATOM 1389 CB THR A 94 -15.991 3.019 9.208 1.00 0.00 C ATOM 1390 OG1 THR A 94 -14.914 2.765 10.117 1.00 0.00 O ATOM 1391 CG2 THR A 94 -17.317 2.945 9.950 1.00 0.00 C ATOM 0 H THR A 94 -14.106 2.825 7.498 1.00 0.00 H new ATOM 0 HA THR A 94 -16.153 1.007 8.443 1.00 0.00 H new ATOM 0 HB THR A 94 -15.883 4.019 8.789 1.00 0.00 H new ATOM 0 HG1 THR A 94 -14.944 3.415 10.849 1.00 0.00 H new ATOM 0 HG21 THR A 94 -17.320 3.670 10.764 1.00 0.00 H new ATOM 0 HG22 THR A 94 -18.132 3.169 9.262 1.00 0.00 H new ATOM 0 HG23 THR A 94 -17.451 1.943 10.357 1.00 0.00 H new ATOM 1399 N ALA A 95 -18.138 1.634 7.063 1.00 0.00 N ATOM 1400 CA ALA A 95 -19.244 1.882 6.147 1.00 0.00 C ATOM 1401 C ALA A 95 -19.958 3.186 6.488 1.00 0.00 C ATOM 1402 O ALA A 95 -20.636 3.284 7.512 1.00 0.00 O ATOM 1403 CB ALA A 95 -20.224 0.719 6.174 1.00 0.00 C ATOM 0 H ALA A 95 -18.292 0.862 7.711 1.00 0.00 H new ATOM 0 HA ALA A 95 -18.835 1.974 5.141 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -21.045 0.919 5.485 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -19.712 -0.195 5.874 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -20.619 0.599 7.183 1.00 0.00 H new ATOM 1409 N LEU A 96 -19.801 4.184 5.626 1.00 0.00 N ATOM 1410 CA LEU A 96 -20.430 5.483 5.837 1.00 0.00 C ATOM 1411 C LEU A 96 -21.928 5.330 6.078 1.00 0.00 C ATOM 1412 O LEU A 96 -22.587 4.457 5.512 1.00 0.00 O ATOM 1413 CB LEU A 96 -20.186 6.392 4.631 1.00 0.00 C ATOM 1414 CG LEU A 96 -21.248 6.347 3.532 1.00 0.00 C ATOM 1415 CD1 LEU A 96 -22.472 7.152 3.939 1.00 0.00 C ATOM 1416 CD2 LEU A 96 -20.679 6.866 2.219 1.00 0.00 C ATOM 0 H LEU A 96 -19.244 4.119 4.774 1.00 0.00 H new ATOM 0 HA LEU A 96 -19.983 5.936 6.722 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -20.103 7.419 4.986 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -19.225 6.128 4.191 1.00 0.00 H new ATOM 0 HG LEU A 96 -21.552 5.310 3.389 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -23.217 7.108 3.144 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -22.893 6.736 4.854 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -22.185 8.189 4.110 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -21.449 6.827 1.448 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -20.347 7.896 2.348 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -19.833 6.247 1.919 1.00 0.00 H new ATOM 1428 N PRO A 97 -22.482 6.199 6.937 1.00 0.00 N ATOM 1429 CA PRO A 97 -23.909 6.182 7.271 1.00 0.00 C ATOM 1430 C PRO A 97 -24.782 6.629 6.103 1.00 0.00 C ATOM 1431 O PRO A 97 -25.139 7.802 5.996 1.00 0.00 O ATOM 1432 CB PRO A 97 -24.014 7.177 8.429 1.00 0.00 C ATOM 1433 CG PRO A 97 -22.858 8.098 8.244 1.00 0.00 C ATOM 1434 CD PRO A 97 -21.757 7.265 7.649 1.00 0.00 C ATOM 0 HA PRO A 97 -24.258 5.180 7.520 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -24.960 7.718 8.401 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -23.965 6.670 9.392 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -23.120 8.926 7.586 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -22.549 8.532 9.195 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -21.133 7.848 6.972 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -21.100 6.859 8.418 1.00 0.00 H new ATOM 1442 N SER A 98 -25.124 5.686 5.231 1.00 0.00 N ATOM 1443 CA SER A 98 -25.954 5.984 4.069 1.00 0.00 C ATOM 1444 C SER A 98 -27.419 5.670 4.354 1.00 0.00 C ATOM 1445 O SER A 98 -27.734 4.740 5.095 1.00 0.00 O ATOM 1446 CB SER A 98 -25.475 5.184 2.856 1.00 0.00 C ATOM 1447 OG SER A 98 -25.818 5.838 1.647 1.00 0.00 O ATOM 0 H SER A 98 -24.839 4.709 5.307 1.00 0.00 H new ATOM 0 HA SER A 98 -25.864 7.048 3.852 1.00 0.00 H new ATOM 0 HB2 SER A 98 -24.394 5.051 2.908 1.00 0.00 H new ATOM 0 HB3 SER A 98 -25.920 4.189 2.874 1.00 0.00 H new ATOM 0 HG SER A 98 -25.500 5.308 0.887 1.00 0.00 H new ATOM 1453 N GLY A 99 -28.313 6.454 3.757 1.00 0.00 N ATOM 1454 CA GLY A 99 -29.734 6.245 3.958 1.00 0.00 C ATOM 1455 C GLY A 99 -30.450 7.507 4.395 1.00 0.00 C ATOM 1456 O GLY A 99 -31.299 8.044 3.683 1.00 0.00 O ATOM 0 H GLY A 99 -28.077 7.230 3.138 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -30.179 5.881 3.032 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -29.881 5.469 4.709 1.00 0.00 H new ATOM 1460 N PRO A 100 -30.108 8.001 5.594 1.00 0.00 N ATOM 1461 CA PRO A 100 -30.713 9.214 6.153 1.00 0.00 C ATOM 1462 C PRO A 100 -30.287 10.472 5.404 1.00 0.00 C ATOM 1463 O PRO A 100 -29.100 10.689 5.160 1.00 0.00 O ATOM 1464 CB PRO A 100 -30.187 9.243 7.590 1.00 0.00 C ATOM 1465 CG PRO A 100 -28.909 8.478 7.541 1.00 0.00 C ATOM 1466 CD PRO A 100 -29.103 7.414 6.497 1.00 0.00 C ATOM 0 HA PRO A 100 -31.801 9.196 6.083 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -30.024 10.265 7.931 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -30.896 8.786 8.280 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -28.074 9.130 7.284 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -28.681 8.036 8.511 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -28.174 7.191 5.973 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -29.454 6.480 6.936 1.00 0.00 H new ATOM 1474 N SER A 101 -31.263 11.299 5.042 1.00 0.00 N ATOM 1475 CA SER A 101 -30.989 12.535 4.318 1.00 0.00 C ATOM 1476 C SER A 101 -30.760 13.692 5.286 1.00 0.00 C ATOM 1477 O SER A 101 -29.838 14.489 5.111 1.00 0.00 O ATOM 1478 CB SER A 101 -32.147 12.865 3.375 1.00 0.00 C ATOM 1479 OG SER A 101 -31.995 12.204 2.130 1.00 0.00 O ATOM 0 H SER A 101 -32.250 11.135 5.238 1.00 0.00 H new ATOM 0 HA SER A 101 -30.082 12.391 3.731 1.00 0.00 H new ATOM 0 HB2 SER A 101 -33.090 12.569 3.835 1.00 0.00 H new ATOM 0 HB3 SER A 101 -32.194 13.942 3.215 1.00 0.00 H new ATOM 0 HG SER A 101 -32.749 12.430 1.546 1.00 0.00 H new ATOM 1485 N SER A 102 -31.606 13.778 6.307 1.00 0.00 N ATOM 1486 CA SER A 102 -31.500 14.839 7.301 1.00 0.00 C ATOM 1487 C SER A 102 -30.997 14.289 8.632 1.00 0.00 C ATOM 1488 O SER A 102 -31.718 13.584 9.337 1.00 0.00 O ATOM 1489 CB SER A 102 -32.855 15.521 7.497 1.00 0.00 C ATOM 1490 OG SER A 102 -33.132 16.421 6.438 1.00 0.00 O ATOM 0 H SER A 102 -32.373 13.125 6.468 1.00 0.00 H new ATOM 0 HA SER A 102 -30.781 15.573 6.937 1.00 0.00 H new ATOM 0 HB2 SER A 102 -33.640 14.767 7.552 1.00 0.00 H new ATOM 0 HB3 SER A 102 -32.861 16.058 8.446 1.00 0.00 H new ATOM 0 HG SER A 102 -34.004 16.842 6.586 1.00 0.00 H new ATOM 1496 N GLY A 103 -29.753 14.616 8.969 1.00 0.00 N ATOM 1497 CA GLY A 103 -29.174 14.147 10.214 1.00 0.00 C ATOM 1498 C GLY A 103 -27.758 14.647 10.420 1.00 0.00 C ATOM 1499 O GLY A 103 -27.205 15.335 9.562 1.00 0.00 O ATOM 0 H GLY A 103 -29.136 15.197 8.402 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -29.796 14.475 11.047 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -29.176 13.057 10.224 1.00 0.00 H new TER 1503 GLY A 103