USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 676 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 THR OG1 : rot 160:sc= 0.00359 USER MOD Set 1.2: A 84 HIS : no HE2:sc= -6.16! C(o=-6.2!,f=-6.6!) USER MOD Set 2.1: A 67 SER OG : rot 180:sc= 0.0225 USER MOD Set 2.2: A 68 CYS SG : rot 52:sc= -0.357 USER MOD Set 2.3: A 74 THR OG1 : rot -93:sc= -1.09 USER MOD Set 3.1: A 38 SER OG : rot -84:sc= -1.8! USER MOD Set 3.2: A 40 CYS SG : rot -118:sc= -1.25! USER MOD Set 3.3: A 42 SER OG : rot 60:sc= 0.654 USER MOD Single : A 3 THR OG1 : rot -42:sc= -0.297 USER MOD Single : A 8 HIS : no HE2:sc= -20.2! C(o=-20!,f=-21!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.156 X(o=-0.16,f=-0.32) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN :FLIP amide:sc= -0.0523 F(o=-1.8,f=-0.052) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -155:sc= -0.115 (180deg=-1.03) USER MOD Single : A 36 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.337) USER MOD Single : A 37 HIS : no HD1:sc= -1.84 X(o=-1.8,f=-1.8!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS :FLIP no HD1:sc= -0.141 F(o=-0.73,f=-0.14) USER MOD Single : A 80 GLN : amide:sc= 0.29 K(o=0.29,f=-1.5!) USER MOD Single : A 83 TYR OH : rot 180:sc= -0.117 USER MOD Single : A 87 LYS NZ :NH3+ 174:sc= 0.155 (180deg=-0.00589) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 35 N THR A 3 -16.645 -3.598 0.336 1.00 0.00 N ATOM 36 CA THR A 3 -15.480 -2.826 0.863 1.00 0.00 C ATOM 37 C THR A 3 -14.180 -3.430 0.324 1.00 0.00 C ATOM 38 O THR A 3 -14.188 -4.184 -0.629 1.00 0.00 O ATOM 39 CB THR A 3 -15.558 -2.970 2.387 1.00 0.00 C ATOM 40 OG1 THR A 3 -15.165 -4.282 2.761 1.00 0.00 O ATOM 41 CG2 THR A 3 -16.991 -2.713 2.856 1.00 0.00 C ATOM 0 HA THR A 3 -15.499 -1.779 0.561 1.00 0.00 H new ATOM 0 HB THR A 3 -14.890 -2.244 2.852 1.00 0.00 H new ATOM 0 HG1 THR A 3 -15.562 -4.931 2.143 1.00 0.00 H new ATOM 0 HG21 THR A 3 -17.043 -2.816 3.940 1.00 0.00 H new ATOM 0 HG22 THR A 3 -17.291 -1.704 2.573 1.00 0.00 H new ATOM 0 HG23 THR A 3 -17.661 -3.435 2.390 1.00 0.00 H new ATOM 49 N ALA A 4 -13.060 -3.092 0.902 1.00 0.00 N ATOM 50 CA ALA A 4 -11.772 -3.637 0.389 1.00 0.00 C ATOM 51 C ALA A 4 -10.835 -3.995 1.547 1.00 0.00 C ATOM 52 O ALA A 4 -10.673 -3.235 2.481 1.00 0.00 O ATOM 53 CB ALA A 4 -11.175 -2.508 -0.452 1.00 0.00 C ATOM 0 H ALA A 4 -12.981 -2.465 1.703 1.00 0.00 H new ATOM 0 HA ALA A 4 -11.916 -4.550 -0.188 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -10.220 -2.830 -0.868 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -11.859 -2.258 -1.263 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -11.020 -1.630 0.175 1.00 0.00 H new ATOM 59 N ALA A 5 -10.098 -5.063 1.407 1.00 0.00 N ATOM 60 CA ALA A 5 -9.030 -5.370 2.403 1.00 0.00 C ATOM 61 C ALA A 5 -7.689 -4.870 1.862 1.00 0.00 C ATOM 62 O ALA A 5 -7.401 -5.026 0.694 1.00 0.00 O ATOM 63 CB ALA A 5 -9.030 -6.894 2.529 1.00 0.00 C ATOM 0 H ALA A 5 -10.189 -5.737 0.646 1.00 0.00 H new ATOM 0 HA ALA A 5 -9.195 -4.892 3.369 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.268 -7.200 3.246 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -10.008 -7.231 2.873 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.813 -7.339 1.558 1.00 0.00 H new ATOM 69 N ALA A 6 -6.980 -4.084 2.622 1.00 0.00 N ATOM 70 CA ALA A 6 -5.806 -3.379 2.024 1.00 0.00 C ATOM 71 C ALA A 6 -4.580 -3.413 2.947 1.00 0.00 C ATOM 72 O ALA A 6 -4.609 -2.909 4.052 1.00 0.00 O ATOM 73 CB ALA A 6 -6.281 -1.939 1.828 1.00 0.00 C ATOM 0 H ALA A 6 -7.154 -3.900 3.610 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.490 -3.855 1.096 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.477 -1.347 1.391 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.144 -1.928 1.162 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.562 -1.514 2.792 1.00 0.00 H new ATOM 79 N LEU A 7 -3.452 -3.787 2.401 1.00 0.00 N ATOM 80 CA LEU A 7 -2.162 -3.599 3.132 1.00 0.00 C ATOM 81 C LEU A 7 -1.414 -2.399 2.544 1.00 0.00 C ATOM 82 O LEU A 7 -1.528 -2.111 1.371 1.00 0.00 O ATOM 83 CB LEU A 7 -1.372 -4.887 2.897 1.00 0.00 C ATOM 84 CG LEU A 7 -2.151 -6.075 3.461 1.00 0.00 C ATOM 85 CD1 LEU A 7 -1.324 -7.352 3.297 1.00 0.00 C ATOM 86 CD2 LEU A 7 -2.439 -5.837 4.943 1.00 0.00 C ATOM 0 H LEU A 7 -3.368 -4.215 1.479 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.309 -3.408 4.195 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.195 -5.028 1.831 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.395 -4.819 3.376 1.00 0.00 H new ATOM 0 HG LEU A 7 -3.092 -6.183 2.922 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.879 -8.199 3.699 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.121 -7.520 2.239 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.382 -7.247 3.835 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.995 -6.684 5.346 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.499 -5.729 5.484 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.029 -4.928 5.057 1.00 0.00 H new ATOM 98 N HIS A 8 -0.722 -1.642 3.355 1.00 0.00 N ATOM 99 CA HIS A 8 -0.068 -0.411 2.824 1.00 0.00 C ATOM 100 C HIS A 8 1.360 -0.269 3.361 1.00 0.00 C ATOM 101 O HIS A 8 1.605 -0.416 4.542 1.00 0.00 O ATOM 102 CB HIS A 8 -0.935 0.742 3.331 1.00 0.00 C ATOM 103 CG HIS A 8 -2.383 0.440 3.067 1.00 0.00 C ATOM 104 ND1 HIS A 8 -3.134 1.157 2.149 1.00 0.00 N ATOM 105 CD2 HIS A 8 -3.235 -0.494 3.601 1.00 0.00 C ATOM 106 CE1 HIS A 8 -4.379 0.647 2.159 1.00 0.00 C ATOM 107 NE2 HIS A 8 -4.495 -0.361 3.026 1.00 0.00 N ATOM 0 H HIS A 8 -0.583 -1.820 4.350 1.00 0.00 H new ATOM 0 HA HIS A 8 0.009 -0.433 1.737 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -0.773 0.889 4.399 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -0.650 1.670 2.834 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -2.803 1.930 1.571 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -2.968 -1.222 4.353 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -5.187 1.009 1.540 1.00 0.00 H new ATOM 115 N ILE A 9 2.259 0.203 2.538 1.00 0.00 N ATOM 116 CA ILE A 9 3.613 0.569 3.048 1.00 0.00 C ATOM 117 C ILE A 9 3.977 1.984 2.594 1.00 0.00 C ATOM 118 O ILE A 9 3.846 2.328 1.436 1.00 0.00 O ATOM 119 CB ILE A 9 4.582 -0.438 2.434 1.00 0.00 C ATOM 120 CG1 ILE A 9 4.241 -1.851 2.909 1.00 0.00 C ATOM 121 CG2 ILE A 9 6.009 -0.083 2.857 1.00 0.00 C ATOM 122 CD1 ILE A 9 5.053 -2.863 2.098 1.00 0.00 C ATOM 0 H ILE A 9 2.115 0.350 1.539 1.00 0.00 H new ATOM 0 HA ILE A 9 3.649 0.548 4.137 1.00 0.00 H new ATOM 0 HB ILE A 9 4.500 -0.403 1.348 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.464 -1.955 3.971 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.175 -2.041 2.788 1.00 0.00 H new ATOM 0 HG21 ILE A 9 6.706 -0.799 2.422 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.253 0.920 2.507 1.00 0.00 H new ATOM 0 HG23 ILE A 9 6.085 -0.117 3.944 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.814 -3.873 2.432 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.807 -2.763 1.041 1.00 0.00 H new ATOM 0 HD13 ILE A 9 6.117 -2.675 2.242 1.00 0.00 H new ATOM 134 N LEU A 10 4.442 2.799 3.498 1.00 0.00 N ATOM 135 CA LEU A 10 4.831 4.188 3.129 1.00 0.00 C ATOM 136 C LEU A 10 6.357 4.300 3.037 1.00 0.00 C ATOM 137 O LEU A 10 7.065 4.064 3.996 1.00 0.00 O ATOM 138 CB LEU A 10 4.304 5.060 4.272 1.00 0.00 C ATOM 139 CG LEU A 10 4.106 6.500 3.785 1.00 0.00 C ATOM 140 CD1 LEU A 10 3.971 7.429 4.995 1.00 0.00 C ATOM 141 CD2 LEU A 10 5.307 6.937 2.942 1.00 0.00 C ATOM 0 H LEU A 10 4.570 2.562 4.482 1.00 0.00 H new ATOM 0 HA LEU A 10 4.427 4.488 2.162 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.360 4.659 4.641 1.00 0.00 H new ATOM 0 HB3 LEU A 10 5.005 5.043 5.106 1.00 0.00 H new ATOM 0 HG LEU A 10 3.204 6.552 3.176 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.830 8.454 4.653 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.112 7.125 5.593 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.875 7.370 5.602 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.158 7.961 2.600 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.213 6.884 3.545 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.406 6.277 2.080 1.00 0.00 H new ATOM 153 N VAL A 11 6.868 4.693 1.903 1.00 0.00 N ATOM 154 CA VAL A 11 8.348 4.860 1.768 1.00 0.00 C ATOM 155 C VAL A 11 8.702 6.345 1.643 1.00 0.00 C ATOM 156 O VAL A 11 8.078 7.082 0.905 1.00 0.00 O ATOM 157 CB VAL A 11 8.740 4.110 0.489 1.00 0.00 C ATOM 158 CG1 VAL A 11 10.238 3.804 0.526 1.00 0.00 C ATOM 159 CG2 VAL A 11 7.957 2.797 0.393 1.00 0.00 C ATOM 0 H VAL A 11 6.329 4.906 1.064 1.00 0.00 H new ATOM 0 HA VAL A 11 8.878 4.471 2.638 1.00 0.00 H new ATOM 0 HB VAL A 11 8.508 4.729 -0.378 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.523 3.271 -0.381 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.798 4.737 0.590 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.462 3.186 1.396 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.241 2.270 -0.518 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.184 2.174 1.258 1.00 0.00 H new ATOM 0 HG23 VAL A 11 6.889 3.011 0.370 1.00 0.00 H new ATOM 169 N LYS A 12 9.680 6.796 2.382 1.00 0.00 N ATOM 170 CA LYS A 12 10.054 8.239 2.334 1.00 0.00 C ATOM 171 C LYS A 12 10.670 8.593 0.975 1.00 0.00 C ATOM 172 O LYS A 12 10.465 9.671 0.455 1.00 0.00 O ATOM 173 CB LYS A 12 11.089 8.414 3.447 1.00 0.00 C ATOM 174 CG LYS A 12 10.408 8.281 4.810 1.00 0.00 C ATOM 175 CD LYS A 12 11.450 8.457 5.918 1.00 0.00 C ATOM 176 CE LYS A 12 10.769 8.323 7.284 1.00 0.00 C ATOM 177 NZ LYS A 12 11.429 9.339 8.158 1.00 0.00 N ATOM 0 H LYS A 12 10.237 6.226 3.018 1.00 0.00 H new ATOM 0 HA LYS A 12 9.189 8.889 2.466 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.874 7.665 3.347 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.567 9.390 3.362 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.623 9.030 4.911 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.930 7.305 4.897 1.00 0.00 H new ATOM 0 HD2 LYS A 12 12.235 7.708 5.816 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.927 9.433 5.832 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.697 8.507 7.208 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.892 7.318 7.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.011 9.302 9.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.447 9.136 8.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.289 10.287 7.755 1.00 0.00 H new ATOM 191 N GLU A 13 11.486 7.727 0.436 1.00 0.00 N ATOM 192 CA GLU A 13 12.183 8.056 -0.843 1.00 0.00 C ATOM 193 C GLU A 13 11.824 7.049 -1.937 1.00 0.00 C ATOM 194 O GLU A 13 11.712 5.864 -1.696 1.00 0.00 O ATOM 195 CB GLU A 13 13.673 7.981 -0.515 1.00 0.00 C ATOM 196 CG GLU A 13 14.048 9.163 0.376 1.00 0.00 C ATOM 197 CD GLU A 13 15.505 9.029 0.824 1.00 0.00 C ATOM 198 OE1 GLU A 13 16.166 8.114 0.360 1.00 0.00 O ATOM 199 OE2 GLU A 13 15.935 9.845 1.623 1.00 0.00 O ATOM 0 H GLU A 13 11.700 6.808 0.824 1.00 0.00 H new ATOM 0 HA GLU A 13 11.893 9.037 -1.219 1.00 0.00 H new ATOM 0 HB2 GLU A 13 13.900 7.042 -0.010 1.00 0.00 H new ATOM 0 HB3 GLU A 13 14.261 8.000 -1.432 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.909 10.098 -0.166 1.00 0.00 H new ATOM 0 HG3 GLU A 13 13.392 9.198 1.246 1.00 0.00 H new ATOM 206 N GLU A 14 11.672 7.515 -3.146 1.00 0.00 N ATOM 207 CA GLU A 14 11.354 6.589 -4.270 1.00 0.00 C ATOM 208 C GLU A 14 12.464 5.548 -4.426 1.00 0.00 C ATOM 209 O GLU A 14 12.206 4.373 -4.600 1.00 0.00 O ATOM 210 CB GLU A 14 11.284 7.481 -5.510 1.00 0.00 C ATOM 211 CG GLU A 14 10.921 6.630 -6.728 1.00 0.00 C ATOM 212 CD GLU A 14 10.851 7.521 -7.969 1.00 0.00 C ATOM 213 OE1 GLU A 14 10.981 8.724 -7.819 1.00 0.00 O ATOM 214 OE2 GLU A 14 10.671 6.983 -9.050 1.00 0.00 O ATOM 0 H GLU A 14 11.754 8.498 -3.405 1.00 0.00 H new ATOM 0 HA GLU A 14 10.425 6.044 -4.105 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.541 8.265 -5.366 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.242 7.975 -5.670 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.664 5.846 -6.872 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.963 6.136 -6.567 1.00 0.00 H new ATOM 221 N LYS A 15 13.699 5.965 -4.340 1.00 0.00 N ATOM 222 CA LYS A 15 14.821 4.992 -4.458 1.00 0.00 C ATOM 223 C LYS A 15 14.675 3.906 -3.392 1.00 0.00 C ATOM 224 O LYS A 15 14.880 2.737 -3.651 1.00 0.00 O ATOM 225 CB LYS A 15 16.089 5.812 -4.216 1.00 0.00 C ATOM 226 CG LYS A 15 16.320 6.763 -5.392 1.00 0.00 C ATOM 227 CD LYS A 15 17.590 7.580 -5.144 1.00 0.00 C ATOM 228 CE LYS A 15 17.823 8.532 -6.319 1.00 0.00 C ATOM 229 NZ LYS A 15 19.266 8.899 -6.230 1.00 0.00 N ATOM 0 H LYS A 15 13.978 6.935 -4.193 1.00 0.00 H new ATOM 0 HA LYS A 15 14.841 4.495 -5.428 1.00 0.00 H new ATOM 0 HB2 LYS A 15 15.996 6.379 -3.290 1.00 0.00 H new ATOM 0 HB3 LYS A 15 16.946 5.149 -4.098 1.00 0.00 H new ATOM 0 HG2 LYS A 15 16.414 6.197 -6.319 1.00 0.00 H new ATOM 0 HG3 LYS A 15 15.464 7.428 -5.510 1.00 0.00 H new ATOM 0 HD2 LYS A 15 17.496 8.146 -4.217 1.00 0.00 H new ATOM 0 HD3 LYS A 15 18.446 6.915 -5.026 1.00 0.00 H new ATOM 0 HE2 LYS A 15 17.595 8.050 -7.270 1.00 0.00 H new ATOM 0 HE3 LYS A 15 17.185 9.413 -6.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 19.507 9.552 -7.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 19.451 9.361 -5.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 19.848 8.041 -6.308 1.00 0.00 H new ATOM 243 N LEU A 16 14.283 4.277 -2.202 1.00 0.00 N ATOM 244 CA LEU A 16 14.081 3.252 -1.141 1.00 0.00 C ATOM 245 C LEU A 16 12.881 2.370 -1.497 1.00 0.00 C ATOM 246 O LEU A 16 12.931 1.162 -1.381 1.00 0.00 O ATOM 247 CB LEU A 16 13.806 4.049 0.135 1.00 0.00 C ATOM 248 CG LEU A 16 14.075 3.167 1.357 1.00 0.00 C ATOM 249 CD1 LEU A 16 14.252 4.051 2.592 1.00 0.00 C ATOM 250 CD2 LEU A 16 12.899 2.213 1.573 1.00 0.00 C ATOM 0 H LEU A 16 14.095 5.240 -1.921 1.00 0.00 H new ATOM 0 HA LEU A 16 14.942 2.593 -1.026 1.00 0.00 H new ATOM 0 HB2 LEU A 16 14.440 4.935 0.166 1.00 0.00 H new ATOM 0 HB3 LEU A 16 12.773 4.396 0.144 1.00 0.00 H new ATOM 0 HG LEU A 16 14.982 2.586 1.192 1.00 0.00 H new ATOM 0 HD11 LEU A 16 14.444 3.425 3.463 1.00 0.00 H new ATOM 0 HD12 LEU A 16 15.094 4.726 2.438 1.00 0.00 H new ATOM 0 HD13 LEU A 16 13.345 4.633 2.756 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.094 1.587 2.444 1.00 0.00 H new ATOM 0 HD22 LEU A 16 11.988 2.789 1.737 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.776 1.582 0.693 1.00 0.00 H new ATOM 262 N ALA A 17 11.834 2.958 -2.013 1.00 0.00 N ATOM 263 CA ALA A 17 10.671 2.145 -2.473 1.00 0.00 C ATOM 264 C ALA A 17 11.112 1.170 -3.567 1.00 0.00 C ATOM 265 O ALA A 17 10.807 -0.005 -3.525 1.00 0.00 O ATOM 266 CB ALA A 17 9.671 3.160 -3.028 1.00 0.00 C ATOM 0 H ALA A 17 11.734 3.966 -2.136 1.00 0.00 H new ATOM 0 HA ALA A 17 10.239 1.548 -1.670 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.784 2.638 -3.388 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.387 3.858 -2.241 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.128 3.708 -3.852 1.00 0.00 H new ATOM 272 N LEU A 18 11.898 1.634 -4.501 1.00 0.00 N ATOM 273 CA LEU A 18 12.439 0.716 -5.543 1.00 0.00 C ATOM 274 C LEU A 18 13.269 -0.385 -4.880 1.00 0.00 C ATOM 275 O LEU A 18 13.102 -1.557 -5.158 1.00 0.00 O ATOM 276 CB LEU A 18 13.322 1.598 -6.429 1.00 0.00 C ATOM 277 CG LEU A 18 12.531 2.047 -7.661 1.00 0.00 C ATOM 278 CD1 LEU A 18 12.116 3.511 -7.502 1.00 0.00 C ATOM 279 CD2 LEU A 18 13.404 1.898 -8.910 1.00 0.00 C ATOM 0 H LEU A 18 12.188 2.608 -4.587 1.00 0.00 H new ATOM 0 HA LEU A 18 11.654 0.225 -6.118 1.00 0.00 H new ATOM 0 HB2 LEU A 18 13.664 2.467 -5.868 1.00 0.00 H new ATOM 0 HB3 LEU A 18 14.211 1.047 -6.736 1.00 0.00 H new ATOM 0 HG LEU A 18 11.640 1.428 -7.762 1.00 0.00 H new ATOM 0 HD11 LEU A 18 11.553 3.827 -8.380 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.493 3.618 -6.614 1.00 0.00 H new ATOM 0 HD13 LEU A 18 13.006 4.132 -7.398 1.00 0.00 H new ATOM 0 HD21 LEU A 18 12.841 2.217 -9.787 1.00 0.00 H new ATOM 0 HD22 LEU A 18 14.296 2.516 -8.806 1.00 0.00 H new ATOM 0 HD23 LEU A 18 13.697 0.855 -9.027 1.00 0.00 H new ATOM 291 N ASP A 19 14.080 -0.024 -3.925 1.00 0.00 N ATOM 292 CA ASP A 19 14.825 -1.052 -3.147 1.00 0.00 C ATOM 293 C ASP A 19 13.834 -1.986 -2.451 1.00 0.00 C ATOM 294 O ASP A 19 13.987 -3.192 -2.449 1.00 0.00 O ATOM 295 CB ASP A 19 15.613 -0.255 -2.111 1.00 0.00 C ATOM 296 CG ASP A 19 16.464 -1.206 -1.268 1.00 0.00 C ATOM 297 OD1 ASP A 19 16.159 -2.387 -1.252 1.00 0.00 O ATOM 298 OD2 ASP A 19 17.407 -0.736 -0.653 1.00 0.00 O ATOM 0 H ASP A 19 14.259 0.942 -3.649 1.00 0.00 H new ATOM 0 HA ASP A 19 15.472 -1.668 -3.772 1.00 0.00 H new ATOM 0 HB2 ASP A 19 16.251 0.476 -2.608 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.930 0.302 -1.470 1.00 0.00 H new ATOM 303 N LEU A 20 12.787 -1.428 -1.912 1.00 0.00 N ATOM 304 CA LEU A 20 11.732 -2.253 -1.271 1.00 0.00 C ATOM 305 C LEU A 20 11.077 -3.161 -2.313 1.00 0.00 C ATOM 306 O LEU A 20 10.849 -4.332 -2.083 1.00 0.00 O ATOM 307 CB LEU A 20 10.753 -1.205 -0.723 1.00 0.00 C ATOM 308 CG LEU A 20 9.324 -1.757 -0.665 1.00 0.00 C ATOM 309 CD1 LEU A 20 9.214 -2.787 0.459 1.00 0.00 C ATOM 310 CD2 LEU A 20 8.353 -0.605 -0.397 1.00 0.00 C ATOM 0 H LEU A 20 12.617 -0.422 -1.889 1.00 0.00 H new ATOM 0 HA LEU A 20 12.099 -2.919 -0.490 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.067 -0.897 0.274 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.777 -0.316 -1.354 1.00 0.00 H new ATOM 0 HG LEU A 20 9.079 -2.234 -1.614 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.197 -3.177 0.497 1.00 0.00 H new ATOM 0 HD12 LEU A 20 9.910 -3.605 0.272 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.457 -2.314 1.411 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.334 -0.990 -0.354 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.602 -0.133 0.553 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.430 0.130 -1.199 1.00 0.00 H new ATOM 322 N LEU A 21 10.757 -2.614 -3.447 1.00 0.00 N ATOM 323 CA LEU A 21 10.096 -3.423 -4.509 1.00 0.00 C ATOM 324 C LEU A 21 10.991 -4.593 -4.922 1.00 0.00 C ATOM 325 O LEU A 21 10.535 -5.706 -5.097 1.00 0.00 O ATOM 326 CB LEU A 21 9.887 -2.454 -5.672 1.00 0.00 C ATOM 327 CG LEU A 21 8.423 -1.997 -5.699 1.00 0.00 C ATOM 328 CD1 LEU A 21 8.190 -0.914 -4.639 1.00 0.00 C ATOM 329 CD2 LEU A 21 8.096 -1.434 -7.084 1.00 0.00 C ATOM 0 H LEU A 21 10.924 -1.637 -3.688 1.00 0.00 H new ATOM 0 HA LEU A 21 9.155 -3.858 -4.173 1.00 0.00 H new ATOM 0 HB2 LEU A 21 10.546 -1.593 -5.565 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.146 -2.938 -6.614 1.00 0.00 H new ATOM 0 HG LEU A 21 7.777 -2.848 -5.484 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.148 -0.596 -4.666 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.421 -1.315 -3.652 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.835 -0.060 -4.844 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.056 -1.108 -7.108 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.747 -0.586 -7.295 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.251 -2.207 -7.837 1.00 0.00 H new ATOM 341 N GLU A 22 12.255 -4.338 -5.116 1.00 0.00 N ATOM 342 CA GLU A 22 13.178 -5.423 -5.561 1.00 0.00 C ATOM 343 C GLU A 22 13.212 -6.552 -4.528 1.00 0.00 C ATOM 344 O GLU A 22 13.280 -7.717 -4.870 1.00 0.00 O ATOM 345 CB GLU A 22 14.548 -4.753 -5.666 1.00 0.00 C ATOM 346 CG GLU A 22 15.559 -5.742 -6.251 1.00 0.00 C ATOM 347 CD GLU A 22 15.242 -5.980 -7.729 1.00 0.00 C ATOM 348 OE1 GLU A 22 14.255 -5.437 -8.197 1.00 0.00 O ATOM 349 OE2 GLU A 22 15.989 -6.702 -8.366 1.00 0.00 O ATOM 0 H GLU A 22 12.690 -3.425 -4.986 1.00 0.00 H new ATOM 0 HA GLU A 22 12.865 -5.869 -6.505 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.483 -3.867 -6.298 1.00 0.00 H new ATOM 0 HB3 GLU A 22 14.878 -4.420 -4.682 1.00 0.00 H new ATOM 0 HG2 GLU A 22 16.571 -5.351 -6.143 1.00 0.00 H new ATOM 0 HG3 GLU A 22 15.521 -6.684 -5.704 1.00 0.00 H new ATOM 356 N GLN A 23 13.213 -6.215 -3.268 1.00 0.00 N ATOM 357 CA GLN A 23 13.301 -7.265 -2.213 1.00 0.00 C ATOM 358 C GLN A 23 12.110 -8.219 -2.319 1.00 0.00 C ATOM 359 O GLN A 23 12.242 -9.415 -2.153 1.00 0.00 O ATOM 360 CB GLN A 23 13.249 -6.497 -0.893 1.00 0.00 C ATOM 361 CG GLN A 23 14.543 -5.701 -0.714 1.00 0.00 C ATOM 362 CD GLN A 23 15.718 -6.664 -0.534 1.00 0.00 C ATOM 363 OE1 GLN A 23 15.668 -7.556 0.291 1.00 0.00 O ATOM 364 NE2 GLN A 23 16.780 -6.523 -1.278 1.00 0.00 N ATOM 0 H GLN A 23 13.157 -5.257 -2.922 1.00 0.00 H new ATOM 0 HA GLN A 23 14.204 -7.869 -2.303 1.00 0.00 H new ATOM 0 HB2 GLN A 23 12.392 -5.824 -0.885 1.00 0.00 H new ATOM 0 HB3 GLN A 23 13.118 -7.190 -0.062 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.712 -5.063 -1.582 1.00 0.00 H new ATOM 0 HG3 GLN A 23 14.461 -5.045 0.153 1.00 0.00 H new ATOM 0 HE21 GLN A 23 16.822 -5.775 -1.970 1.00 0.00 H new ATOM 0 HE22 GLN A 23 17.568 -7.161 -1.168 1.00 0.00 H new ATOM 373 N ILE A 24 10.943 -7.693 -2.565 1.00 0.00 N ATOM 374 CA ILE A 24 9.735 -8.563 -2.648 1.00 0.00 C ATOM 375 C ILE A 24 9.811 -9.484 -3.869 1.00 0.00 C ATOM 376 O ILE A 24 9.419 -10.633 -3.815 1.00 0.00 O ATOM 377 CB ILE A 24 8.561 -7.592 -2.783 1.00 0.00 C ATOM 378 CG1 ILE A 24 8.363 -6.849 -1.462 1.00 0.00 C ATOM 379 CG2 ILE A 24 7.283 -8.363 -3.125 1.00 0.00 C ATOM 380 CD1 ILE A 24 7.734 -5.482 -1.735 1.00 0.00 C ATOM 0 H ILE A 24 10.772 -6.698 -2.712 1.00 0.00 H new ATOM 0 HA ILE A 24 9.638 -9.211 -1.777 1.00 0.00 H new ATOM 0 HB ILE A 24 8.776 -6.880 -3.579 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.723 -7.430 -0.798 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.320 -6.726 -0.955 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.451 -7.665 -3.220 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.420 -8.894 -4.067 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.067 -9.079 -2.332 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.593 -4.952 -0.793 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.391 -4.902 -2.383 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.769 -5.617 -2.224 1.00 0.00 H new ATOM 392 N LYS A 25 10.223 -8.970 -4.994 1.00 0.00 N ATOM 393 CA LYS A 25 10.213 -9.805 -6.230 1.00 0.00 C ATOM 394 C LYS A 25 11.106 -11.035 -6.050 1.00 0.00 C ATOM 395 O LYS A 25 10.691 -12.152 -6.291 1.00 0.00 O ATOM 396 CB LYS A 25 10.752 -8.892 -7.333 1.00 0.00 C ATOM 397 CG LYS A 25 9.715 -7.808 -7.640 1.00 0.00 C ATOM 398 CD LYS A 25 10.244 -6.889 -8.744 1.00 0.00 C ATOM 399 CE LYS A 25 9.204 -5.807 -9.046 1.00 0.00 C ATOM 400 NZ LYS A 25 9.854 -4.925 -10.056 1.00 0.00 N ATOM 0 H LYS A 25 10.564 -8.016 -5.112 1.00 0.00 H new ATOM 0 HA LYS A 25 9.217 -10.178 -6.468 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.690 -8.436 -7.018 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.965 -9.473 -8.230 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.777 -8.266 -7.953 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.503 -7.229 -6.741 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.182 -6.430 -8.432 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.455 -7.467 -9.644 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.283 -6.241 -9.435 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.940 -5.251 -8.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.203 -4.156 -10.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.725 -4.521 -9.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.088 -5.481 -10.903 1.00 0.00 H new ATOM 414 N ASN A 26 12.304 -10.853 -5.565 1.00 0.00 N ATOM 415 CA ASN A 26 13.178 -12.031 -5.299 1.00 0.00 C ATOM 416 C ASN A 26 12.515 -12.967 -4.293 1.00 0.00 C ATOM 417 O ASN A 26 12.331 -14.141 -4.543 1.00 0.00 O ATOM 418 CB ASN A 26 14.460 -11.456 -4.699 1.00 0.00 C ATOM 419 CG ASN A 26 15.530 -12.552 -4.581 1.00 0.00 C ATOM 420 OD1 ASN A 26 15.306 -13.745 -5.072 1.00 0.00 O flip ATOM 421 ND2 ASN A 26 16.586 -12.320 -4.028 1.00 0.00 N flip ATOM 0 H ASN A 26 12.714 -9.946 -5.343 1.00 0.00 H new ATOM 0 HA ASN A 26 13.367 -12.605 -6.206 1.00 0.00 H new ATOM 0 HB2 ASN A 26 14.830 -10.643 -5.324 1.00 0.00 H new ATOM 0 HB3 ASN A 26 14.252 -11.033 -3.716 1.00 0.00 H new ATOM 0 HD21 ASN A 26 16.767 -11.393 -3.643 1.00 0.00 H new ATOM 0 HD22 ASN A 26 17.292 -13.052 -3.948 1.00 0.00 H new ATOM 428 N GLY A 27 12.294 -12.481 -3.105 1.00 0.00 N ATOM 429 CA GLY A 27 11.805 -13.367 -2.017 1.00 0.00 C ATOM 430 C GLY A 27 10.323 -13.099 -1.741 1.00 0.00 C ATOM 431 O GLY A 27 9.588 -13.997 -1.381 1.00 0.00 O ATOM 0 H GLY A 27 12.432 -11.505 -2.841 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.947 -14.411 -2.297 1.00 0.00 H new ATOM 0 HA3 GLY A 27 12.387 -13.198 -1.111 1.00 0.00 H new ATOM 435 N ALA A 28 9.921 -11.847 -1.779 1.00 0.00 N ATOM 436 CA ALA A 28 8.524 -11.464 -1.385 1.00 0.00 C ATOM 437 C ALA A 28 8.431 -11.360 0.127 1.00 0.00 C ATOM 438 O ALA A 28 9.438 -11.443 0.790 1.00 0.00 O ATOM 439 CB ALA A 28 7.586 -12.548 -1.926 1.00 0.00 C ATOM 0 H ALA A 28 10.509 -11.066 -2.070 1.00 0.00 H new ATOM 0 HA ALA A 28 8.245 -10.494 -1.797 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.557 -12.305 -1.659 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.677 -12.600 -3.011 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.855 -13.511 -1.493 1.00 0.00 H new ATOM 445 N ASP A 29 7.227 -11.091 0.620 1.00 0.00 N ATOM 446 CA ASP A 29 6.927 -10.841 2.087 1.00 0.00 C ATOM 447 C ASP A 29 6.449 -9.402 2.275 1.00 0.00 C ATOM 448 O ASP A 29 7.128 -8.585 2.864 1.00 0.00 O ATOM 449 CB ASP A 29 8.202 -11.043 2.904 1.00 0.00 C ATOM 450 CG ASP A 29 8.574 -12.529 2.927 1.00 0.00 C ATOM 451 OD1 ASP A 29 7.700 -13.342 2.672 1.00 0.00 O ATOM 452 OD2 ASP A 29 9.726 -12.827 3.196 1.00 0.00 O ATOM 0 H ASP A 29 6.397 -11.032 0.030 1.00 0.00 H new ATOM 0 HA ASP A 29 6.154 -11.534 2.419 1.00 0.00 H new ATOM 0 HB2 ASP A 29 9.017 -10.461 2.473 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.054 -10.680 3.921 1.00 0.00 H new ATOM 457 N PHE A 30 5.259 -9.103 1.838 1.00 0.00 N ATOM 458 CA PHE A 30 4.710 -7.736 2.055 1.00 0.00 C ATOM 459 C PHE A 30 4.549 -7.459 3.553 1.00 0.00 C ATOM 460 O PHE A 30 4.785 -6.364 4.016 1.00 0.00 O ATOM 461 CB PHE A 30 3.353 -7.730 1.347 1.00 0.00 C ATOM 462 CG PHE A 30 3.528 -7.232 -0.069 1.00 0.00 C ATOM 463 CD1 PHE A 30 3.559 -5.854 -0.324 1.00 0.00 C ATOM 464 CD2 PHE A 30 3.666 -8.143 -1.129 1.00 0.00 C ATOM 465 CE1 PHE A 30 3.726 -5.385 -1.634 1.00 0.00 C ATOM 466 CE2 PHE A 30 3.834 -7.673 -2.440 1.00 0.00 C ATOM 467 CZ PHE A 30 3.863 -6.294 -2.692 1.00 0.00 C ATOM 0 H PHE A 30 4.643 -9.745 1.340 1.00 0.00 H new ATOM 0 HA PHE A 30 5.369 -6.961 1.664 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.929 -8.734 1.341 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.653 -7.091 1.885 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.454 -5.153 0.490 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.643 -9.205 -0.935 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.749 -4.323 -1.828 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.941 -8.373 -3.255 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.991 -5.932 -3.702 1.00 0.00 H new ATOM 477 N GLY A 31 4.113 -8.432 4.305 1.00 0.00 N ATOM 478 CA GLY A 31 3.895 -8.202 5.762 1.00 0.00 C ATOM 479 C GLY A 31 5.213 -7.802 6.436 1.00 0.00 C ATOM 480 O GLY A 31 5.288 -6.804 7.127 1.00 0.00 O ATOM 0 H GLY A 31 3.899 -9.373 3.976 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.151 -7.419 5.907 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.500 -9.106 6.226 1.00 0.00 H new ATOM 484 N LYS A 32 6.234 -8.607 6.306 1.00 0.00 N ATOM 485 CA LYS A 32 7.511 -8.305 7.018 1.00 0.00 C ATOM 486 C LYS A 32 8.158 -7.032 6.464 1.00 0.00 C ATOM 487 O LYS A 32 8.690 -6.225 7.201 1.00 0.00 O ATOM 488 CB LYS A 32 8.413 -9.513 6.758 1.00 0.00 C ATOM 489 CG LYS A 32 7.878 -10.728 7.518 1.00 0.00 C ATOM 490 CD LYS A 32 8.783 -11.933 7.253 1.00 0.00 C ATOM 491 CE LYS A 32 8.272 -13.139 8.045 1.00 0.00 C ATOM 492 NZ LYS A 32 7.701 -14.059 7.022 1.00 0.00 N ATOM 0 H LYS A 32 6.240 -9.456 5.741 1.00 0.00 H new ATOM 0 HA LYS A 32 7.346 -8.135 8.082 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.451 -9.728 5.690 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.432 -9.293 7.075 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.841 -10.515 8.586 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.859 -10.949 7.202 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.797 -12.163 6.188 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.808 -11.702 7.543 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.079 -13.618 8.599 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.518 -12.842 8.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.330 -14.911 7.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.930 -13.579 6.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.444 -14.331 6.346 1.00 0.00 H new ATOM 506 N LEU A 33 8.132 -6.849 5.174 1.00 0.00 N ATOM 507 CA LEU A 33 8.765 -5.636 4.584 1.00 0.00 C ATOM 508 C LEU A 33 8.001 -4.380 5.012 1.00 0.00 C ATOM 509 O LEU A 33 8.587 -3.370 5.350 1.00 0.00 O ATOM 510 CB LEU A 33 8.674 -5.845 3.074 1.00 0.00 C ATOM 511 CG LEU A 33 9.626 -6.971 2.665 1.00 0.00 C ATOM 512 CD1 LEU A 33 9.201 -7.527 1.306 1.00 0.00 C ATOM 513 CD2 LEU A 33 11.050 -6.421 2.565 1.00 0.00 C ATOM 0 H LEU A 33 7.701 -7.485 4.503 1.00 0.00 H new ATOM 0 HA LEU A 33 9.795 -5.499 4.912 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.652 -6.095 2.790 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.934 -4.925 2.551 1.00 0.00 H new ATOM 0 HG LEU A 33 9.593 -7.765 3.411 1.00 0.00 H new ATOM 0 HD11 LEU A 33 9.878 -8.329 1.013 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.185 -7.916 1.374 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.236 -6.732 0.561 1.00 0.00 H new ATOM 0 HD21 LEU A 33 11.730 -7.222 2.274 1.00 0.00 H new ATOM 0 HD22 LEU A 33 11.082 -5.628 1.818 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.354 -6.021 3.532 1.00 0.00 H new ATOM 525 N ALA A 34 6.699 -4.447 5.047 1.00 0.00 N ATOM 526 CA ALA A 34 5.903 -3.275 5.506 1.00 0.00 C ATOM 527 C ALA A 34 6.283 -2.914 6.943 1.00 0.00 C ATOM 528 O ALA A 34 6.479 -1.761 7.269 1.00 0.00 O ATOM 529 CB ALA A 34 4.448 -3.741 5.441 1.00 0.00 C ATOM 0 H ALA A 34 6.151 -5.264 4.777 1.00 0.00 H new ATOM 0 HA ALA A 34 6.078 -2.389 4.896 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.792 -2.933 5.765 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.201 -4.021 4.417 1.00 0.00 H new ATOM 0 HB3 ALA A 34 4.312 -4.602 6.095 1.00 0.00 H new ATOM 535 N LYS A 35 6.369 -3.886 7.808 1.00 0.00 N ATOM 536 CA LYS A 35 6.710 -3.587 9.229 1.00 0.00 C ATOM 537 C LYS A 35 8.081 -2.909 9.319 1.00 0.00 C ATOM 538 O LYS A 35 8.261 -1.948 10.040 1.00 0.00 O ATOM 539 CB LYS A 35 6.749 -4.950 9.921 1.00 0.00 C ATOM 540 CG LYS A 35 5.336 -5.528 9.997 1.00 0.00 C ATOM 541 CD LYS A 35 4.478 -4.662 10.923 1.00 0.00 C ATOM 542 CE LYS A 35 3.082 -5.275 11.043 1.00 0.00 C ATOM 543 NZ LYS A 35 2.497 -5.160 9.677 1.00 0.00 N ATOM 0 H LYS A 35 6.219 -4.872 7.594 1.00 0.00 H new ATOM 0 HA LYS A 35 5.989 -2.911 9.689 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.401 -5.629 9.372 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.165 -4.848 10.923 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.893 -5.564 9.002 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.370 -6.552 10.368 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.942 -4.592 11.907 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.409 -3.648 10.530 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.133 -6.315 11.365 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.478 -4.743 11.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.459 -5.148 9.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.826 -4.280 9.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.797 -5.972 9.101 1.00 0.00 H new ATOM 557 N LYS A 36 9.069 -3.461 8.670 1.00 0.00 N ATOM 558 CA LYS A 36 10.450 -2.913 8.809 1.00 0.00 C ATOM 559 C LYS A 36 10.531 -1.485 8.257 1.00 0.00 C ATOM 560 O LYS A 36 11.147 -0.619 8.847 1.00 0.00 O ATOM 561 CB LYS A 36 11.330 -3.861 7.994 1.00 0.00 C ATOM 562 CG LYS A 36 12.804 -3.549 8.260 1.00 0.00 C ATOM 563 CD LYS A 36 13.679 -4.573 7.533 1.00 0.00 C ATOM 564 CE LYS A 36 15.110 -4.497 8.072 1.00 0.00 C ATOM 565 NZ LYS A 36 15.634 -3.190 7.587 1.00 0.00 N ATOM 0 H LYS A 36 8.981 -4.266 8.050 1.00 0.00 H new ATOM 0 HA LYS A 36 10.764 -2.854 9.851 1.00 0.00 H new ATOM 0 HB2 LYS A 36 11.113 -4.895 8.261 1.00 0.00 H new ATOM 0 HB3 LYS A 36 11.111 -3.754 6.932 1.00 0.00 H new ATOM 0 HG2 LYS A 36 13.042 -2.542 7.917 1.00 0.00 H new ATOM 0 HG3 LYS A 36 13.006 -3.577 9.331 1.00 0.00 H new ATOM 0 HD2 LYS A 36 13.278 -5.576 7.676 1.00 0.00 H new ATOM 0 HD3 LYS A 36 13.672 -4.377 6.461 1.00 0.00 H new ATOM 0 HE2 LYS A 36 15.125 -4.549 9.161 1.00 0.00 H new ATOM 0 HE3 LYS A 36 15.715 -5.326 7.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 16.667 -3.164 7.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 15.398 -3.073 6.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 15.203 -2.418 8.135 1.00 0.00 H new ATOM 579 N HIS A 37 9.989 -1.248 7.091 1.00 0.00 N ATOM 580 CA HIS A 37 10.124 0.103 6.468 1.00 0.00 C ATOM 581 C HIS A 37 9.227 1.131 7.166 1.00 0.00 C ATOM 582 O HIS A 37 9.600 2.276 7.332 1.00 0.00 O ATOM 583 CB HIS A 37 9.688 -0.081 5.015 1.00 0.00 C ATOM 584 CG HIS A 37 10.818 -0.677 4.222 1.00 0.00 C ATOM 585 ND1 HIS A 37 11.992 0.017 3.977 1.00 0.00 N ATOM 586 CD2 HIS A 37 10.967 -1.896 3.609 1.00 0.00 C ATOM 587 CE1 HIS A 37 12.789 -0.781 3.244 1.00 0.00 C ATOM 588 NE2 HIS A 37 12.213 -1.960 2.991 1.00 0.00 N ATOM 0 H HIS A 37 9.461 -1.928 6.545 1.00 0.00 H new ATOM 0 HA HIS A 37 11.144 0.479 6.551 1.00 0.00 H new ATOM 0 HB2 HIS A 37 8.814 -0.730 4.966 1.00 0.00 H new ATOM 0 HB3 HIS A 37 9.397 0.878 4.588 1.00 0.00 H new ATOM 0 HD2 HIS A 37 10.230 -2.685 3.606 1.00 0.00 H new ATOM 0 HE1 HIS A 37 13.775 -0.503 2.902 1.00 0.00 H new ATOM 0 HE2 HIS A 37 12.602 -2.739 2.460 1.00 0.00 H new ATOM 596 N SER A 38 8.002 0.779 7.436 1.00 0.00 N ATOM 597 CA SER A 38 7.040 1.792 7.957 1.00 0.00 C ATOM 598 C SER A 38 7.539 2.383 9.280 1.00 0.00 C ATOM 599 O SER A 38 7.566 3.584 9.455 1.00 0.00 O ATOM 600 CB SER A 38 5.736 1.026 8.165 1.00 0.00 C ATOM 601 OG SER A 38 4.663 1.948 8.275 1.00 0.00 O ATOM 0 H SER A 38 7.625 -0.162 7.320 1.00 0.00 H new ATOM 0 HA SER A 38 6.917 2.631 7.272 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.563 0.347 7.330 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.799 0.415 9.065 1.00 0.00 H new ATOM 0 HG SER A 38 4.603 2.271 9.198 1.00 0.00 H new ATOM 607 N ILE A 39 7.948 1.546 10.201 1.00 0.00 N ATOM 608 CA ILE A 39 8.465 2.052 11.511 1.00 0.00 C ATOM 609 C ILE A 39 7.653 3.262 11.987 1.00 0.00 C ATOM 610 O ILE A 39 8.183 4.182 12.579 1.00 0.00 O ATOM 611 CB ILE A 39 9.921 2.448 11.240 1.00 0.00 C ATOM 612 CG1 ILE A 39 10.622 2.747 12.566 1.00 0.00 C ATOM 613 CG2 ILE A 39 9.968 3.691 10.347 1.00 0.00 C ATOM 614 CD1 ILE A 39 12.126 2.898 12.326 1.00 0.00 C ATOM 0 H ILE A 39 7.946 0.531 10.102 1.00 0.00 H new ATOM 0 HA ILE A 39 8.386 1.301 12.297 1.00 0.00 H new ATOM 0 HB ILE A 39 10.427 1.626 10.734 1.00 0.00 H new ATOM 0 HG12 ILE A 39 10.220 3.660 13.004 1.00 0.00 H new ATOM 0 HG13 ILE A 39 10.436 1.943 13.278 1.00 0.00 H new ATOM 0 HG21 ILE A 39 11.006 3.965 10.160 1.00 0.00 H new ATOM 0 HG22 ILE A 39 9.472 3.478 9.400 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.459 4.516 10.845 1.00 0.00 H new ATOM 0 HD11 ILE A 39 12.626 3.111 13.271 1.00 0.00 H new ATOM 0 HD12 ILE A 39 12.522 1.973 11.907 1.00 0.00 H new ATOM 0 HD13 ILE A 39 12.303 3.717 11.629 1.00 0.00 H new ATOM 626 N CYS A 40 6.386 3.302 11.672 1.00 0.00 N ATOM 627 CA CYS A 40 5.567 4.495 12.039 1.00 0.00 C ATOM 628 C CYS A 40 4.293 4.062 12.774 1.00 0.00 C ATOM 629 O CYS A 40 3.907 2.913 12.721 1.00 0.00 O ATOM 630 CB CYS A 40 5.221 5.154 10.701 1.00 0.00 C ATOM 631 SG CYS A 40 4.026 4.130 9.808 1.00 0.00 S ATOM 0 H CYS A 40 5.884 2.564 11.179 1.00 0.00 H new ATOM 0 HA CYS A 40 6.097 5.174 12.707 1.00 0.00 H new ATOM 0 HB2 CYS A 40 4.808 6.148 10.870 1.00 0.00 H new ATOM 0 HB3 CYS A 40 6.124 5.282 10.103 1.00 0.00 H new ATOM 0 HG CYS A 40 4.552 3.723 8.691 1.00 0.00 H new ATOM 637 N PRO A 41 3.669 5.013 13.419 1.00 0.00 N ATOM 638 CA PRO A 41 2.409 4.740 14.149 1.00 0.00 C ATOM 639 C PRO A 41 1.413 4.007 13.243 1.00 0.00 C ATOM 640 O PRO A 41 0.641 3.185 13.694 1.00 0.00 O ATOM 641 CB PRO A 41 1.880 6.126 14.530 1.00 0.00 C ATOM 642 CG PRO A 41 2.802 7.125 13.892 1.00 0.00 C ATOM 643 CD PRO A 41 4.076 6.412 13.530 1.00 0.00 C ATOM 0 HA PRO A 41 2.560 4.102 15.020 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.858 6.261 14.177 1.00 0.00 H new ATOM 0 HB3 PRO A 41 1.863 6.250 15.613 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.341 7.557 13.004 1.00 0.00 H new ATOM 0 HG3 PRO A 41 3.006 7.948 14.577 1.00 0.00 H new ATOM 0 HD2 PRO A 41 4.491 6.784 12.593 1.00 0.00 H new ATOM 0 HD3 PRO A 41 4.842 6.547 14.294 1.00 0.00 H new ATOM 651 N SER A 42 1.485 4.230 11.959 1.00 0.00 N ATOM 652 CA SER A 42 0.612 3.469 11.022 1.00 0.00 C ATOM 653 C SER A 42 1.413 2.338 10.377 1.00 0.00 C ATOM 654 O SER A 42 0.989 1.731 9.418 1.00 0.00 O ATOM 655 CB SER A 42 0.166 4.482 9.966 1.00 0.00 C ATOM 656 OG SER A 42 1.059 5.586 9.960 1.00 0.00 O ATOM 0 H SER A 42 2.110 4.906 11.519 1.00 0.00 H new ATOM 0 HA SER A 42 -0.242 3.017 11.526 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.145 4.012 8.983 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.848 4.822 10.178 1.00 0.00 H new ATOM 0 HG SER A 42 1.965 5.273 9.758 1.00 0.00 H new ATOM 662 N GLY A 43 2.522 1.985 10.960 1.00 0.00 N ATOM 663 CA GLY A 43 3.290 0.819 10.446 1.00 0.00 C ATOM 664 C GLY A 43 2.637 -0.464 10.951 1.00 0.00 C ATOM 665 O GLY A 43 2.191 -1.292 10.182 1.00 0.00 O ATOM 0 H GLY A 43 2.930 2.453 11.769 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.307 0.830 9.356 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.326 0.872 10.782 1.00 0.00 H new ATOM 669 N LYS A 44 2.526 -0.607 12.241 1.00 0.00 N ATOM 670 CA LYS A 44 1.843 -1.805 12.801 1.00 0.00 C ATOM 671 C LYS A 44 0.396 -1.863 12.306 1.00 0.00 C ATOM 672 O LYS A 44 -0.133 -2.926 12.045 1.00 0.00 O ATOM 673 CB LYS A 44 1.893 -1.627 14.318 1.00 0.00 C ATOM 674 CG LYS A 44 1.259 -2.846 14.992 1.00 0.00 C ATOM 675 CD LYS A 44 1.305 -2.673 16.511 1.00 0.00 C ATOM 676 CE LYS A 44 0.808 -3.953 17.187 1.00 0.00 C ATOM 677 NZ LYS A 44 1.026 -3.725 18.644 1.00 0.00 N ATOM 0 H LYS A 44 2.879 0.054 12.933 1.00 0.00 H new ATOM 0 HA LYS A 44 2.321 -2.735 12.493 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.925 -1.511 14.648 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.362 -0.720 14.607 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.227 -2.962 14.660 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.791 -3.752 14.703 1.00 0.00 H new ATOM 0 HD2 LYS A 44 2.323 -2.452 16.832 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.686 -1.827 16.810 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.245 -4.133 16.968 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.360 -4.825 16.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 0.709 -4.560 19.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.038 -3.563 18.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 0.483 -2.892 18.950 1.00 0.00 H new ATOM 691 N ARG A 45 -0.270 -0.740 12.228 1.00 0.00 N ATOM 692 CA ARG A 45 -1.699 -0.754 11.811 1.00 0.00 C ATOM 693 C ARG A 45 -1.830 -0.476 10.305 1.00 0.00 C ATOM 694 O ARG A 45 -2.602 -1.111 9.616 1.00 0.00 O ATOM 695 CB ARG A 45 -2.359 0.354 12.640 1.00 0.00 C ATOM 696 CG ARG A 45 -3.701 0.727 12.014 1.00 0.00 C ATOM 697 CD ARG A 45 -4.680 -0.439 12.175 1.00 0.00 C ATOM 698 NE ARG A 45 -5.939 0.023 11.525 1.00 0.00 N ATOM 699 CZ ARG A 45 -6.993 -0.750 11.513 1.00 0.00 C ATOM 700 NH1 ARG A 45 -6.955 -1.925 12.083 1.00 0.00 N ATOM 701 NH2 ARG A 45 -8.088 -0.345 10.931 1.00 0.00 N ATOM 0 H ARG A 45 0.114 0.182 12.435 1.00 0.00 H new ATOM 0 HA ARG A 45 -2.170 -1.722 11.980 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.505 0.017 13.666 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -1.709 1.228 12.681 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -4.102 1.621 12.492 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.569 0.962 10.958 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -4.299 -1.343 11.700 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -4.842 -0.676 13.226 1.00 0.00 H new ATOM 0 HE ARG A 45 -5.978 0.944 11.089 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -6.100 -2.243 12.540 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.780 -2.525 12.071 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.120 0.573 10.487 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -8.912 -0.946 10.920 1.00 0.00 H new ATOM 715 N GLY A 46 -1.084 0.464 9.789 1.00 0.00 N ATOM 716 CA GLY A 46 -1.176 0.773 8.331 1.00 0.00 C ATOM 717 C GLY A 46 -0.575 -0.383 7.527 1.00 0.00 C ATOM 718 O GLY A 46 -0.984 -0.656 6.416 1.00 0.00 O ATOM 0 H GLY A 46 -0.416 1.030 10.312 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.217 0.927 8.046 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -0.645 1.699 8.110 1.00 0.00 H new ATOM 722 N GLY A 47 0.324 -1.123 8.120 1.00 0.00 N ATOM 723 CA GLY A 47 0.870 -2.330 7.433 1.00 0.00 C ATOM 724 C GLY A 47 -0.185 -3.442 7.441 1.00 0.00 C ATOM 725 O GLY A 47 0.039 -4.529 6.945 1.00 0.00 O ATOM 0 H GLY A 47 0.704 -0.944 9.050 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.147 -2.084 6.408 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.776 -2.669 7.936 1.00 0.00 H new ATOM 729 N ASP A 48 -1.322 -3.186 8.031 1.00 0.00 N ATOM 730 CA ASP A 48 -2.385 -4.218 8.114 1.00 0.00 C ATOM 731 C ASP A 48 -3.660 -3.568 8.649 1.00 0.00 C ATOM 732 O ASP A 48 -4.069 -3.798 9.769 1.00 0.00 O ATOM 733 CB ASP A 48 -1.851 -5.250 9.102 1.00 0.00 C ATOM 734 CG ASP A 48 -1.741 -4.613 10.488 1.00 0.00 C ATOM 735 OD1 ASP A 48 -1.871 -3.402 10.571 1.00 0.00 O ATOM 736 OD2 ASP A 48 -1.531 -5.345 11.441 1.00 0.00 O ATOM 0 H ASP A 48 -1.558 -2.293 8.463 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.622 -4.672 7.152 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.515 -6.114 9.138 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.875 -5.611 8.777 1.00 0.00 H new ATOM 741 N LEU A 49 -4.235 -2.686 7.882 1.00 0.00 N ATOM 742 CA LEU A 49 -5.423 -1.930 8.369 1.00 0.00 C ATOM 743 C LEU A 49 -6.628 -2.865 8.475 1.00 0.00 C ATOM 744 O LEU A 49 -7.550 -2.623 9.228 1.00 0.00 O ATOM 745 CB LEU A 49 -5.664 -0.840 7.319 1.00 0.00 C ATOM 746 CG LEU A 49 -4.543 0.205 7.393 1.00 0.00 C ATOM 747 CD1 LEU A 49 -4.282 0.774 5.996 1.00 0.00 C ATOM 748 CD2 LEU A 49 -4.960 1.340 8.330 1.00 0.00 C ATOM 0 H LEU A 49 -3.933 -2.455 6.936 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.267 -1.502 9.359 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.698 -1.282 6.323 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.630 -0.364 7.489 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.636 -0.266 7.772 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.486 1.516 6.048 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.984 -0.031 5.325 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.191 1.243 5.618 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.162 2.081 8.381 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.868 1.809 7.951 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.147 0.939 9.326 1.00 0.00 H new ATOM 760 N GLY A 50 -6.646 -3.913 7.698 1.00 0.00 N ATOM 761 CA GLY A 50 -7.811 -4.836 7.726 1.00 0.00 C ATOM 762 C GLY A 50 -8.748 -4.490 6.571 1.00 0.00 C ATOM 763 O GLY A 50 -8.314 -4.098 5.503 1.00 0.00 O ATOM 0 H GLY A 50 -5.904 -4.168 7.046 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.475 -5.869 7.641 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.337 -4.749 8.677 1.00 0.00 H new ATOM 767 N GLU A 51 -10.027 -4.634 6.768 1.00 0.00 N ATOM 768 CA GLU A 51 -10.982 -4.316 5.673 1.00 0.00 C ATOM 769 C GLU A 51 -11.775 -3.050 6.008 1.00 0.00 C ATOM 770 O GLU A 51 -12.196 -2.846 7.130 1.00 0.00 O ATOM 771 CB GLU A 51 -11.907 -5.529 5.586 1.00 0.00 C ATOM 772 CG GLU A 51 -12.603 -5.531 4.225 1.00 0.00 C ATOM 773 CD GLU A 51 -13.533 -6.743 4.130 1.00 0.00 C ATOM 774 OE1 GLU A 51 -13.456 -7.593 5.002 1.00 0.00 O ATOM 775 OE2 GLU A 51 -14.305 -6.800 3.187 1.00 0.00 O ATOM 0 H GLU A 51 -10.452 -4.957 7.637 1.00 0.00 H new ATOM 0 HA GLU A 51 -10.475 -4.126 4.727 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.335 -6.448 5.717 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -12.646 -5.496 6.386 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -13.173 -4.611 4.094 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -11.863 -5.564 3.426 1.00 0.00 H new ATOM 782 N PHE A 52 -11.958 -2.190 5.047 1.00 0.00 N ATOM 783 CA PHE A 52 -12.699 -0.921 5.299 1.00 0.00 C ATOM 784 C PHE A 52 -13.454 -0.494 4.039 1.00 0.00 C ATOM 785 O PHE A 52 -13.136 -0.918 2.948 1.00 0.00 O ATOM 786 CB PHE A 52 -11.619 0.104 5.652 1.00 0.00 C ATOM 787 CG PHE A 52 -10.521 0.069 4.614 1.00 0.00 C ATOM 788 CD1 PHE A 52 -10.789 0.442 3.287 1.00 0.00 C ATOM 789 CD2 PHE A 52 -9.229 -0.337 4.978 1.00 0.00 C ATOM 790 CE1 PHE A 52 -9.766 0.407 2.329 1.00 0.00 C ATOM 791 CE2 PHE A 52 -8.208 -0.372 4.020 1.00 0.00 C ATOM 792 CZ PHE A 52 -8.476 0.000 2.696 1.00 0.00 C ATOM 0 H PHE A 52 -11.624 -2.311 4.091 1.00 0.00 H new ATOM 0 HA PHE A 52 -13.438 -1.023 6.093 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -12.054 1.102 5.701 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -11.207 -0.113 6.638 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -11.783 0.756 3.004 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -9.021 -0.623 5.998 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.972 0.694 1.308 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.214 -0.686 4.302 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.688 -0.027 1.958 1.00 0.00 H new ATOM 802 N ARG A 53 -14.407 0.386 4.171 1.00 0.00 N ATOM 803 CA ARG A 53 -15.122 0.882 2.959 1.00 0.00 C ATOM 804 C ARG A 53 -14.226 1.871 2.211 1.00 0.00 C ATOM 805 O ARG A 53 -13.359 2.492 2.792 1.00 0.00 O ATOM 806 CB ARG A 53 -16.376 1.590 3.476 1.00 0.00 C ATOM 807 CG ARG A 53 -17.257 0.599 4.239 1.00 0.00 C ATOM 808 CD ARG A 53 -18.505 1.322 4.749 1.00 0.00 C ATOM 809 NE ARG A 53 -19.235 0.311 5.564 1.00 0.00 N ATOM 810 CZ ARG A 53 -20.130 0.693 6.437 1.00 0.00 C ATOM 811 NH1 ARG A 53 -20.398 1.962 6.594 1.00 0.00 N ATOM 812 NH2 ARG A 53 -20.763 -0.196 7.154 1.00 0.00 N ATOM 0 H ARG A 53 -14.721 0.781 5.057 1.00 0.00 H new ATOM 0 HA ARG A 53 -15.377 0.075 2.272 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -16.094 2.417 4.128 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -16.933 2.017 2.642 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -17.542 -0.228 3.588 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -16.703 0.171 5.075 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -18.239 2.193 5.348 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -19.119 1.679 3.922 1.00 0.00 H new ATOM 0 HE ARG A 53 -19.036 -0.682 5.441 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -19.908 2.660 6.034 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -21.097 2.255 7.276 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -20.559 -1.188 7.033 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -21.461 0.102 7.835 1.00 0.00 H new ATOM 900 N PRO A 59 -6.686 9.015 0.236 1.00 0.00 N ATOM 901 CA PRO A 59 -7.333 9.134 -1.095 1.00 0.00 C ATOM 902 C PRO A 59 -6.580 8.288 -2.127 1.00 0.00 C ATOM 903 O PRO A 59 -7.158 7.471 -2.814 1.00 0.00 O ATOM 904 CB PRO A 59 -7.224 10.622 -1.432 1.00 0.00 C ATOM 905 CG PRO A 59 -6.193 11.171 -0.494 1.00 0.00 C ATOM 906 CD PRO A 59 -6.213 10.308 0.736 1.00 0.00 C ATOM 0 HA PRO A 59 -8.365 8.782 -1.098 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -6.927 10.768 -2.471 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -8.182 11.125 -1.300 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -5.206 11.160 -0.957 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -6.415 12.208 -0.241 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -5.224 10.227 1.186 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.878 10.712 1.499 1.00 0.00 H new ATOM 914 N ALA A 60 -5.292 8.482 -2.232 1.00 0.00 N ATOM 915 CA ALA A 60 -4.484 7.696 -3.212 1.00 0.00 C ATOM 916 C ALA A 60 -4.953 6.238 -3.252 1.00 0.00 C ATOM 917 O ALA A 60 -4.849 5.572 -4.262 1.00 0.00 O ATOM 918 CB ALA A 60 -3.047 7.782 -2.698 1.00 0.00 C ATOM 0 H ALA A 60 -4.762 9.155 -1.678 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.582 8.083 -4.226 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.388 7.227 -3.366 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.735 8.826 -2.664 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.992 7.354 -1.697 1.00 0.00 H new ATOM 924 N PHE A 61 -5.474 5.739 -2.165 1.00 0.00 N ATOM 925 CA PHE A 61 -5.953 4.327 -2.156 1.00 0.00 C ATOM 926 C PHE A 61 -7.050 4.135 -3.203 1.00 0.00 C ATOM 927 O PHE A 61 -7.026 3.197 -3.975 1.00 0.00 O ATOM 928 CB PHE A 61 -6.510 4.099 -0.752 1.00 0.00 C ATOM 929 CG PHE A 61 -7.184 2.751 -0.700 1.00 0.00 C ATOM 930 CD1 PHE A 61 -6.439 1.606 -0.388 1.00 0.00 C ATOM 931 CD2 PHE A 61 -8.557 2.645 -0.964 1.00 0.00 C ATOM 932 CE1 PHE A 61 -7.067 0.353 -0.339 1.00 0.00 C ATOM 933 CE2 PHE A 61 -9.185 1.392 -0.916 1.00 0.00 C ATOM 934 CZ PHE A 61 -8.441 0.247 -0.603 1.00 0.00 C ATOM 0 H PHE A 61 -5.589 6.244 -1.287 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.156 3.623 -2.395 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.707 4.146 -0.017 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -7.221 4.885 -0.498 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.381 1.688 -0.185 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -9.131 3.528 -1.204 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -6.493 -0.530 -0.098 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -10.242 1.310 -1.120 1.00 0.00 H new ATOM 0 HZ PHE A 61 -8.925 -0.718 -0.565 1.00 0.00 H new ATOM 944 N ASP A 62 -7.980 5.046 -3.277 1.00 0.00 N ATOM 945 CA ASP A 62 -9.035 4.944 -4.325 1.00 0.00 C ATOM 946 C ASP A 62 -8.390 4.962 -5.709 1.00 0.00 C ATOM 947 O ASP A 62 -8.791 4.246 -6.604 1.00 0.00 O ATOM 948 CB ASP A 62 -9.918 6.175 -4.129 1.00 0.00 C ATOM 949 CG ASP A 62 -11.042 6.161 -5.168 1.00 0.00 C ATOM 950 OD1 ASP A 62 -10.892 5.475 -6.165 1.00 0.00 O ATOM 951 OD2 ASP A 62 -12.033 6.838 -4.949 1.00 0.00 O ATOM 0 H ASP A 62 -8.056 5.854 -2.660 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.610 4.021 -4.247 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.337 6.180 -3.123 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.324 7.083 -4.231 1.00 0.00 H new ATOM 956 N LYS A 63 -7.394 5.780 -5.890 1.00 0.00 N ATOM 957 CA LYS A 63 -6.721 5.852 -7.216 1.00 0.00 C ATOM 958 C LYS A 63 -6.164 4.479 -7.606 1.00 0.00 C ATOM 959 O LYS A 63 -6.222 4.081 -8.752 1.00 0.00 O ATOM 960 CB LYS A 63 -5.591 6.865 -7.023 1.00 0.00 C ATOM 961 CG LYS A 63 -4.817 7.031 -8.332 1.00 0.00 C ATOM 962 CD LYS A 63 -3.691 8.048 -8.130 1.00 0.00 C ATOM 963 CE LYS A 63 -2.922 8.229 -9.439 1.00 0.00 C ATOM 964 NZ LYS A 63 -2.131 9.477 -9.247 1.00 0.00 N ATOM 0 H LYS A 63 -7.016 6.403 -5.177 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.402 6.148 -8.014 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.000 7.825 -6.707 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.920 6.529 -6.233 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -4.404 6.073 -8.648 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.487 7.366 -9.124 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.104 9.003 -7.804 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.016 7.708 -7.344 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.273 7.376 -9.638 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.601 8.317 -10.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.574 9.671 -10.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.776 10.272 -9.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.490 9.360 -8.437 1.00 0.00 H new ATOM 978 N VAL A 64 -5.574 3.776 -6.676 1.00 0.00 N ATOM 979 CA VAL A 64 -4.957 2.454 -7.027 1.00 0.00 C ATOM 980 C VAL A 64 -6.036 1.371 -7.160 1.00 0.00 C ATOM 981 O VAL A 64 -6.113 0.696 -8.167 1.00 0.00 O ATOM 982 CB VAL A 64 -3.948 2.111 -5.901 1.00 0.00 C ATOM 983 CG1 VAL A 64 -3.335 3.393 -5.326 1.00 0.00 C ATOM 984 CG2 VAL A 64 -4.629 1.322 -4.769 1.00 0.00 C ATOM 0 H VAL A 64 -5.491 4.052 -5.698 1.00 0.00 H new ATOM 0 HA VAL A 64 -4.447 2.505 -7.989 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.162 1.494 -6.337 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.629 3.136 -4.537 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.815 3.934 -6.117 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.125 4.022 -4.916 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.898 1.095 -3.993 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -5.436 1.919 -4.344 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -5.036 0.393 -5.167 1.00 0.00 H new ATOM 994 N VAL A 65 -6.953 1.287 -6.234 1.00 0.00 N ATOM 995 CA VAL A 65 -8.096 0.350 -6.434 1.00 0.00 C ATOM 996 C VAL A 65 -8.802 0.689 -7.756 1.00 0.00 C ATOM 997 O VAL A 65 -9.378 -0.161 -8.405 1.00 0.00 O ATOM 998 CB VAL A 65 -9.012 0.541 -5.209 1.00 0.00 C ATOM 999 CG1 VAL A 65 -10.108 1.578 -5.489 1.00 0.00 C ATOM 1000 CG2 VAL A 65 -9.666 -0.800 -4.864 1.00 0.00 C ATOM 0 H VAL A 65 -6.962 1.816 -5.362 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.788 -0.693 -6.507 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.406 0.900 -4.377 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.737 1.690 -4.606 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.649 2.536 -5.731 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.718 1.245 -6.329 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -10.316 -0.676 -3.998 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -10.255 -1.147 -5.713 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.893 -1.533 -4.635 1.00 0.00 H new ATOM 1010 N PHE A 66 -8.684 1.916 -8.190 1.00 0.00 N ATOM 1011 CA PHE A 66 -9.257 2.316 -9.509 1.00 0.00 C ATOM 1012 C PHE A 66 -8.177 2.232 -10.595 1.00 0.00 C ATOM 1013 O PHE A 66 -8.444 2.395 -11.769 1.00 0.00 O ATOM 1014 CB PHE A 66 -9.708 3.764 -9.306 1.00 0.00 C ATOM 1015 CG PHE A 66 -10.310 4.295 -10.584 1.00 0.00 C ATOM 1016 CD1 PHE A 66 -11.683 4.152 -10.828 1.00 0.00 C ATOM 1017 CD2 PHE A 66 -9.494 4.937 -11.526 1.00 0.00 C ATOM 1018 CE1 PHE A 66 -12.240 4.652 -12.015 1.00 0.00 C ATOM 1019 CE2 PHE A 66 -10.050 5.436 -12.712 1.00 0.00 C ATOM 1020 CZ PHE A 66 -11.423 5.293 -12.956 1.00 0.00 C ATOM 0 H PHE A 66 -8.211 2.664 -7.683 1.00 0.00 H new ATOM 0 HA PHE A 66 -10.077 1.672 -9.828 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -10.439 3.817 -8.499 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -8.860 4.381 -9.009 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -12.312 3.657 -10.103 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -8.436 5.047 -11.338 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -13.298 4.543 -12.203 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -9.421 5.930 -13.437 1.00 0.00 H new ATOM 0 HZ PHE A 66 -11.851 5.677 -13.870 1.00 0.00 H new ATOM 1030 N SER A 67 -6.963 1.946 -10.206 1.00 0.00 N ATOM 1031 CA SER A 67 -5.857 1.810 -11.192 1.00 0.00 C ATOM 1032 C SER A 67 -5.651 0.337 -11.553 1.00 0.00 C ATOM 1033 O SER A 67 -5.451 -0.009 -12.700 1.00 0.00 O ATOM 1034 CB SER A 67 -4.619 2.351 -10.478 1.00 0.00 C ATOM 1035 OG SER A 67 -3.524 2.371 -11.382 1.00 0.00 O ATOM 0 H SER A 67 -6.690 1.799 -9.234 1.00 0.00 H new ATOM 0 HA SER A 67 -6.066 2.346 -12.118 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.813 3.356 -10.102 1.00 0.00 H new ATOM 0 HB3 SER A 67 -4.382 1.728 -9.616 1.00 0.00 H new ATOM 0 HG SER A 67 -2.730 2.719 -10.926 1.00 0.00 H new ATOM 1041 N CYS A 68 -5.650 -0.526 -10.573 1.00 0.00 N ATOM 1042 CA CYS A 68 -5.398 -1.969 -10.850 1.00 0.00 C ATOM 1043 C CYS A 68 -6.450 -2.838 -10.158 1.00 0.00 C ATOM 1044 O CYS A 68 -6.978 -2.474 -9.126 1.00 0.00 O ATOM 1045 CB CYS A 68 -4.012 -2.247 -10.269 1.00 0.00 C ATOM 1046 SG CYS A 68 -2.823 -1.066 -10.954 1.00 0.00 S ATOM 0 H CYS A 68 -5.813 -0.294 -9.593 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.451 -2.197 -11.915 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.038 -2.164 -9.182 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -3.705 -3.266 -10.504 1.00 0.00 H new ATOM 0 HG CYS A 68 -3.274 0.143 -10.799 1.00 0.00 H new ATOM 1052 N PRO A 69 -6.690 -3.982 -10.738 1.00 0.00 N ATOM 1053 CA PRO A 69 -7.657 -4.939 -10.154 1.00 0.00 C ATOM 1054 C PRO A 69 -7.108 -5.522 -8.848 1.00 0.00 C ATOM 1055 O PRO A 69 -5.917 -5.526 -8.608 1.00 0.00 O ATOM 1056 CB PRO A 69 -7.804 -6.027 -11.214 1.00 0.00 C ATOM 1057 CG PRO A 69 -6.648 -5.861 -12.156 1.00 0.00 C ATOM 1058 CD PRO A 69 -6.089 -4.472 -11.980 1.00 0.00 C ATOM 0 HA PRO A 69 -8.611 -4.473 -9.907 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -7.794 -7.017 -10.758 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -8.752 -5.929 -11.742 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -5.881 -6.608 -11.951 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -6.973 -6.012 -13.186 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -5.001 -4.489 -11.913 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -6.347 -3.832 -12.824 1.00 0.00 H new ATOM 1066 N VAL A 70 -7.975 -5.977 -7.987 1.00 0.00 N ATOM 1067 CA VAL A 70 -7.524 -6.516 -6.673 1.00 0.00 C ATOM 1068 C VAL A 70 -6.605 -7.728 -6.873 1.00 0.00 C ATOM 1069 O VAL A 70 -6.438 -8.220 -7.970 1.00 0.00 O ATOM 1070 CB VAL A 70 -8.813 -6.926 -5.965 1.00 0.00 C ATOM 1071 CG1 VAL A 70 -9.536 -7.988 -6.795 1.00 0.00 C ATOM 1072 CG2 VAL A 70 -8.487 -7.492 -4.581 1.00 0.00 C ATOM 0 H VAL A 70 -8.984 -5.999 -8.138 1.00 0.00 H new ATOM 0 HA VAL A 70 -6.951 -5.787 -6.100 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.455 -6.052 -5.853 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -10.456 -8.281 -6.289 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.775 -7.581 -7.778 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.892 -8.860 -6.910 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -9.410 -7.783 -4.080 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.842 -8.364 -4.687 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.977 -6.733 -3.988 1.00 0.00 H new ATOM 1082 N LEU A 71 -5.972 -8.172 -5.819 1.00 0.00 N ATOM 1083 CA LEU A 71 -5.018 -9.316 -5.925 1.00 0.00 C ATOM 1084 C LEU A 71 -3.888 -8.976 -6.901 1.00 0.00 C ATOM 1085 O LEU A 71 -3.092 -9.820 -7.260 1.00 0.00 O ATOM 1086 CB LEU A 71 -5.843 -10.499 -6.439 1.00 0.00 C ATOM 1087 CG LEU A 71 -6.713 -11.041 -5.305 1.00 0.00 C ATOM 1088 CD1 LEU A 71 -8.150 -10.553 -5.494 1.00 0.00 C ATOM 1089 CD2 LEU A 71 -6.691 -12.571 -5.328 1.00 0.00 C ATOM 0 H LEU A 71 -6.076 -7.787 -4.880 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.551 -9.545 -4.967 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.469 -10.185 -7.274 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.183 -11.282 -6.812 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.326 -10.687 -4.349 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.774 -10.937 -4.687 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.169 -9.463 -5.480 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.533 -10.910 -6.450 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.312 -12.956 -4.519 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.078 -12.926 -6.283 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.667 -12.922 -5.198 1.00 0.00 H new ATOM 1101 N GLU A 72 -3.731 -7.721 -7.218 1.00 0.00 N ATOM 1102 CA GLU A 72 -2.559 -7.301 -8.037 1.00 0.00 C ATOM 1103 C GLU A 72 -1.970 -6.012 -7.461 1.00 0.00 C ATOM 1104 O GLU A 72 -2.366 -4.926 -7.834 1.00 0.00 O ATOM 1105 CB GLU A 72 -3.107 -7.067 -9.446 1.00 0.00 C ATOM 1106 CG GLU A 72 -1.969 -7.221 -10.460 1.00 0.00 C ATOM 1107 CD GLU A 72 -2.330 -6.486 -11.752 1.00 0.00 C ATOM 1108 OE1 GLU A 72 -3.365 -5.842 -11.777 1.00 0.00 O ATOM 1109 OE2 GLU A 72 -1.562 -6.579 -12.697 1.00 0.00 O ATOM 0 H GLU A 72 -4.363 -6.968 -6.946 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.765 -8.047 -8.042 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.903 -7.780 -9.663 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -3.543 -6.071 -9.519 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.044 -6.819 -10.047 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.793 -8.277 -10.667 1.00 0.00 H new ATOM 1116 N PRO A 73 -1.117 -6.184 -6.490 1.00 0.00 N ATOM 1117 CA PRO A 73 -0.555 -5.031 -5.753 1.00 0.00 C ATOM 1118 C PRO A 73 -0.155 -3.913 -6.720 1.00 0.00 C ATOM 1119 O PRO A 73 0.271 -4.161 -7.831 1.00 0.00 O ATOM 1120 CB PRO A 73 0.667 -5.618 -5.057 1.00 0.00 C ATOM 1121 CG PRO A 73 0.357 -7.074 -4.893 1.00 0.00 C ATOM 1122 CD PRO A 73 -0.595 -7.464 -5.997 1.00 0.00 C ATOM 0 HA PRO A 73 -1.262 -4.581 -5.056 1.00 0.00 H new ATOM 0 HB2 PRO A 73 1.569 -5.471 -5.652 1.00 0.00 H new ATOM 0 HB3 PRO A 73 0.840 -5.140 -4.093 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.269 -7.668 -4.946 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.090 -7.263 -3.917 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -0.085 -8.017 -6.786 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.395 -8.104 -5.625 1.00 0.00 H new ATOM 1130 N THR A 74 -0.311 -2.685 -6.309 1.00 0.00 N ATOM 1131 CA THR A 74 0.036 -1.546 -7.207 1.00 0.00 C ATOM 1132 C THR A 74 0.879 -0.517 -6.449 1.00 0.00 C ATOM 1133 O THR A 74 0.641 -0.238 -5.290 1.00 0.00 O ATOM 1134 CB THR A 74 -1.310 -0.945 -7.614 1.00 0.00 C ATOM 1135 OG1 THR A 74 -2.047 -1.902 -8.362 1.00 0.00 O ATOM 1136 CG2 THR A 74 -1.078 0.303 -8.467 1.00 0.00 C ATOM 0 H THR A 74 -0.664 -2.420 -5.389 1.00 0.00 H new ATOM 0 HA THR A 74 0.621 -1.860 -8.072 1.00 0.00 H new ATOM 0 HB THR A 74 -1.871 -0.671 -6.720 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.871 -1.776 -9.318 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.038 0.730 -8.756 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.513 1.037 -7.892 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.517 0.033 -9.362 1.00 0.00 H new ATOM 1144 N GLY A 75 1.875 0.030 -7.087 1.00 0.00 N ATOM 1145 CA GLY A 75 2.749 1.019 -6.397 1.00 0.00 C ATOM 1146 C GLY A 75 4.200 0.805 -6.839 1.00 0.00 C ATOM 1147 O GLY A 75 4.467 -0.029 -7.680 1.00 0.00 O ATOM 0 H GLY A 75 2.122 -0.165 -8.057 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.430 2.033 -6.636 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.665 0.905 -5.316 1.00 0.00 H new ATOM 1151 N PRO A 76 5.104 1.553 -6.248 1.00 0.00 N ATOM 1152 CA PRO A 76 4.737 2.562 -5.224 1.00 0.00 C ATOM 1153 C PRO A 76 4.207 3.835 -5.895 1.00 0.00 C ATOM 1154 O PRO A 76 4.735 4.287 -6.891 1.00 0.00 O ATOM 1155 CB PRO A 76 6.051 2.822 -4.492 1.00 0.00 C ATOM 1156 CG PRO A 76 7.135 2.461 -5.464 1.00 0.00 C ATOM 1157 CD PRO A 76 6.549 1.517 -6.489 1.00 0.00 C ATOM 0 HA PRO A 76 3.946 2.230 -4.552 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.130 3.866 -4.187 1.00 0.00 H new ATOM 0 HB3 PRO A 76 6.121 2.220 -3.586 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.525 3.356 -5.949 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.970 1.990 -4.946 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.789 1.836 -7.503 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.945 0.508 -6.370 1.00 0.00 H new ATOM 1165 N LEU A 77 3.103 4.348 -5.420 1.00 0.00 N ATOM 1166 CA LEU A 77 2.464 5.512 -6.104 1.00 0.00 C ATOM 1167 C LEU A 77 2.873 6.829 -5.437 1.00 0.00 C ATOM 1168 O LEU A 77 3.233 6.864 -4.280 1.00 0.00 O ATOM 1169 CB LEU A 77 0.960 5.286 -5.948 1.00 0.00 C ATOM 1170 CG LEU A 77 0.204 6.434 -6.620 1.00 0.00 C ATOM 1171 CD1 LEU A 77 0.378 6.341 -8.138 1.00 0.00 C ATOM 1172 CD2 LEU A 77 -1.284 6.341 -6.269 1.00 0.00 C ATOM 0 H LEU A 77 2.616 4.012 -4.589 1.00 0.00 H new ATOM 0 HA LEU A 77 2.767 5.583 -7.149 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.675 4.335 -6.398 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.696 5.231 -4.892 1.00 0.00 H new ATOM 0 HG LEU A 77 0.601 7.386 -6.267 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.161 7.159 -8.617 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.437 6.409 -8.388 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.018 5.389 -8.492 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.823 7.159 -6.748 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.682 5.389 -6.621 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.408 6.409 -5.188 1.00 0.00 H new ATOM 1184 N HIS A 78 2.793 7.913 -6.158 1.00 0.00 N ATOM 1185 CA HIS A 78 3.148 9.237 -5.570 1.00 0.00 C ATOM 1186 C HIS A 78 2.005 9.754 -4.688 1.00 0.00 C ATOM 1187 O HIS A 78 0.885 9.910 -5.135 1.00 0.00 O ATOM 1188 CB HIS A 78 3.352 10.154 -6.777 1.00 0.00 C ATOM 1189 CG HIS A 78 3.722 11.535 -6.310 1.00 0.00 C ATOM 1190 ND1 HIS A 78 3.001 12.509 -5.667 1.00 0.00 N flip ATOM 1191 CD2 HIS A 78 4.990 12.062 -6.494 1.00 0.00 C flip ATOM 1192 CE1 HIS A 78 3.804 13.625 -5.455 1.00 0.00 C flip ATOM 1193 NE2 HIS A 78 4.993 13.304 -5.973 1.00 0.00 N flip ATOM 0 H HIS A 78 2.496 7.940 -7.133 1.00 0.00 H new ATOM 0 HA HIS A 78 4.033 9.186 -4.936 1.00 0.00 H new ATOM 0 HB2 HIS A 78 4.137 9.755 -7.420 1.00 0.00 H new ATOM 0 HB3 HIS A 78 2.441 10.194 -7.373 1.00 0.00 H new ATOM 0 HD2 HIS A 78 5.824 11.567 -6.969 1.00 0.00 H new ATOM 0 HE1 HIS A 78 3.526 14.552 -4.975 1.00 0.00 H new ATOM 0 HE2 HIS A 78 5.803 13.923 -5.974 1.00 0.00 H new ATOM 1201 N THR A 79 2.295 10.087 -3.458 1.00 0.00 N ATOM 1202 CA THR A 79 1.244 10.671 -2.569 1.00 0.00 C ATOM 1203 C THR A 79 1.844 11.800 -1.725 1.00 0.00 C ATOM 1204 O THR A 79 3.046 11.909 -1.584 1.00 0.00 O ATOM 1205 CB THR A 79 0.779 9.520 -1.669 1.00 0.00 C ATOM 1206 OG1 THR A 79 -0.306 9.963 -0.866 1.00 0.00 O ATOM 1207 CG2 THR A 79 1.930 9.069 -0.768 1.00 0.00 C ATOM 0 H THR A 79 3.214 9.980 -3.029 1.00 0.00 H new ATOM 0 HA THR A 79 0.416 11.094 -3.138 1.00 0.00 H new ATOM 0 HB THR A 79 0.460 8.682 -2.288 1.00 0.00 H new ATOM 0 HG1 THR A 79 -0.808 9.188 -0.537 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.594 8.251 -0.131 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.763 8.730 -1.384 1.00 0.00 H new ATOM 0 HG23 THR A 79 2.254 9.904 -0.146 1.00 0.00 H new ATOM 1215 N GLN A 80 1.023 12.679 -1.221 1.00 0.00 N ATOM 1216 CA GLN A 80 1.556 13.848 -0.457 1.00 0.00 C ATOM 1217 C GLN A 80 2.340 13.383 0.776 1.00 0.00 C ATOM 1218 O GLN A 80 3.196 14.085 1.276 1.00 0.00 O ATOM 1219 CB GLN A 80 0.319 14.648 -0.044 1.00 0.00 C ATOM 1220 CG GLN A 80 -0.473 13.868 1.007 1.00 0.00 C ATOM 1221 CD GLN A 80 -1.655 14.715 1.484 1.00 0.00 C ATOM 1222 OE1 GLN A 80 -1.648 15.922 1.344 1.00 0.00 O ATOM 1223 NE2 GLN A 80 -2.680 14.131 2.042 1.00 0.00 N ATOM 0 H GLN A 80 0.007 12.641 -1.303 1.00 0.00 H new ATOM 0 HA GLN A 80 2.248 14.443 -1.053 1.00 0.00 H new ATOM 0 HB2 GLN A 80 0.618 15.617 0.357 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -0.307 14.843 -0.915 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -0.831 12.929 0.586 1.00 0.00 H new ATOM 0 HG3 GLN A 80 0.171 13.615 1.849 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -2.688 13.118 2.160 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -3.473 14.688 2.360 1.00 0.00 H new ATOM 1232 N PHE A 81 2.038 12.221 1.290 1.00 0.00 N ATOM 1233 CA PHE A 81 2.750 11.737 2.511 1.00 0.00 C ATOM 1234 C PHE A 81 4.111 11.134 2.140 1.00 0.00 C ATOM 1235 O PHE A 81 4.882 10.749 2.996 1.00 0.00 O ATOM 1236 CB PHE A 81 1.839 10.662 3.103 1.00 0.00 C ATOM 1237 CG PHE A 81 0.598 11.310 3.669 1.00 0.00 C ATOM 1238 CD1 PHE A 81 0.714 12.346 4.607 1.00 0.00 C ATOM 1239 CD2 PHE A 81 -0.669 10.877 3.256 1.00 0.00 C ATOM 1240 CE1 PHE A 81 -0.438 12.948 5.132 1.00 0.00 C ATOM 1241 CE2 PHE A 81 -1.821 11.478 3.780 1.00 0.00 C ATOM 1242 CZ PHE A 81 -1.706 12.514 4.719 1.00 0.00 C ATOM 0 H PHE A 81 1.331 11.586 0.919 1.00 0.00 H new ATOM 0 HA PHE A 81 2.944 12.546 3.215 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.566 9.938 2.335 1.00 0.00 H new ATOM 0 HB3 PHE A 81 2.365 10.114 3.885 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.691 12.680 4.925 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -0.758 10.079 2.533 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -0.349 13.746 5.854 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -2.797 11.144 3.461 1.00 0.00 H new ATOM 0 HZ PHE A 81 -2.594 12.977 5.124 1.00 0.00 H new ATOM 1252 N GLY A 82 4.360 10.944 0.874 1.00 0.00 N ATOM 1253 CA GLY A 82 5.608 10.242 0.456 1.00 0.00 C ATOM 1254 C GLY A 82 5.275 9.300 -0.701 1.00 0.00 C ATOM 1255 O GLY A 82 4.580 9.665 -1.627 1.00 0.00 O ATOM 0 H GLY A 82 3.754 11.244 0.110 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.364 10.965 0.149 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.024 9.681 1.293 1.00 0.00 H new ATOM 1259 N TYR A 83 5.655 8.057 -0.597 1.00 0.00 N ATOM 1260 CA TYR A 83 5.230 7.067 -1.626 1.00 0.00 C ATOM 1261 C TYR A 83 4.334 6.004 -0.985 1.00 0.00 C ATOM 1262 O TYR A 83 4.649 5.459 0.053 1.00 0.00 O ATOM 1263 CB TYR A 83 6.526 6.440 -2.141 1.00 0.00 C ATOM 1264 CG TYR A 83 7.305 7.469 -2.924 1.00 0.00 C ATOM 1265 CD1 TYR A 83 7.086 7.617 -4.301 1.00 0.00 C ATOM 1266 CD2 TYR A 83 8.247 8.277 -2.273 1.00 0.00 C ATOM 1267 CE1 TYR A 83 7.811 8.572 -5.027 1.00 0.00 C ATOM 1268 CE2 TYR A 83 8.972 9.233 -2.999 1.00 0.00 C ATOM 1269 CZ TYR A 83 8.753 9.380 -4.376 1.00 0.00 C ATOM 1270 OH TYR A 83 9.468 10.321 -5.090 1.00 0.00 O ATOM 0 H TYR A 83 6.239 7.685 0.152 1.00 0.00 H new ATOM 0 HA TYR A 83 4.658 7.526 -2.433 1.00 0.00 H new ATOM 0 HB2 TYR A 83 7.123 6.074 -1.306 1.00 0.00 H new ATOM 0 HB3 TYR A 83 6.301 5.580 -2.772 1.00 0.00 H new ATOM 0 HD1 TYR A 83 6.359 6.995 -4.802 1.00 0.00 H new ATOM 0 HD2 TYR A 83 8.415 8.163 -1.212 1.00 0.00 H new ATOM 0 HE1 TYR A 83 7.644 8.685 -6.088 1.00 0.00 H new ATOM 0 HE2 TYR A 83 9.698 9.855 -2.498 1.00 0.00 H new ATOM 0 HH TYR A 83 10.077 10.796 -4.487 1.00 0.00 H new ATOM 1280 N HIS A 84 3.243 5.673 -1.617 1.00 0.00 N ATOM 1281 CA HIS A 84 2.354 4.608 -1.063 1.00 0.00 C ATOM 1282 C HIS A 84 2.329 3.394 -1.990 1.00 0.00 C ATOM 1283 O HIS A 84 1.878 3.475 -3.115 1.00 0.00 O ATOM 1284 CB HIS A 84 0.953 5.225 -0.985 1.00 0.00 C ATOM 1285 CG HIS A 84 0.832 6.068 0.252 1.00 0.00 C ATOM 1286 ND1 HIS A 84 -0.226 6.943 0.444 1.00 0.00 N ATOM 1287 CD2 HIS A 84 1.618 6.178 1.372 1.00 0.00 C ATOM 1288 CE1 HIS A 84 -0.049 7.537 1.637 1.00 0.00 C ATOM 1289 NE2 HIS A 84 1.061 7.107 2.246 1.00 0.00 N ATOM 0 H HIS A 84 2.927 6.092 -2.492 1.00 0.00 H new ATOM 0 HA HIS A 84 2.707 4.271 -0.088 1.00 0.00 H new ATOM 0 HB2 HIS A 84 0.765 5.833 -1.870 1.00 0.00 H new ATOM 0 HB3 HIS A 84 0.200 4.437 -0.974 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -0.998 7.106 -0.202 1.00 0.00 H new ATOM 0 HD2 HIS A 84 2.530 5.627 1.548 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -0.722 8.272 2.053 1.00 0.00 H new ATOM 1297 N ILE A 85 2.628 2.236 -1.470 1.00 0.00 N ATOM 1298 CA ILE A 85 2.409 1.000 -2.273 1.00 0.00 C ATOM 1299 C ILE A 85 1.315 0.156 -1.613 1.00 0.00 C ATOM 1300 O ILE A 85 1.344 -0.085 -0.422 1.00 0.00 O ATOM 1301 CB ILE A 85 3.751 0.270 -2.266 1.00 0.00 C ATOM 1302 CG1 ILE A 85 3.742 -0.826 -3.335 1.00 0.00 C ATOM 1303 CG2 ILE A 85 3.981 -0.360 -0.897 1.00 0.00 C ATOM 1304 CD1 ILE A 85 5.167 -1.042 -3.849 1.00 0.00 C ATOM 0 H ILE A 85 3.010 2.092 -0.535 1.00 0.00 H new ATOM 0 HA ILE A 85 2.084 1.209 -3.292 1.00 0.00 H new ATOM 0 HB ILE A 85 4.550 0.980 -2.479 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.349 -1.753 -2.918 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.085 -0.543 -4.158 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.939 -0.881 -0.892 1.00 0.00 H new ATOM 0 HG22 ILE A 85 3.988 0.419 -0.135 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.181 -1.069 -0.684 1.00 0.00 H new ATOM 0 HD11 ILE A 85 5.165 -1.822 -4.611 1.00 0.00 H new ATOM 0 HD12 ILE A 85 5.543 -0.114 -4.281 1.00 0.00 H new ATOM 0 HD13 ILE A 85 5.810 -1.344 -3.022 1.00 0.00 H new ATOM 1316 N ILE A 86 0.266 -0.131 -2.335 1.00 0.00 N ATOM 1317 CA ILE A 86 -0.924 -0.766 -1.696 1.00 0.00 C ATOM 1318 C ILE A 86 -1.190 -2.154 -2.285 1.00 0.00 C ATOM 1319 O ILE A 86 -1.420 -2.299 -3.468 1.00 0.00 O ATOM 1320 CB ILE A 86 -2.089 0.171 -2.013 1.00 0.00 C ATOM 1321 CG1 ILE A 86 -1.807 1.557 -1.429 1.00 0.00 C ATOM 1322 CG2 ILE A 86 -3.375 -0.389 -1.405 1.00 0.00 C ATOM 1323 CD1 ILE A 86 -2.844 2.551 -1.956 1.00 0.00 C ATOM 0 H ILE A 86 0.181 0.046 -3.336 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.778 -0.905 -0.625 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.204 0.252 -3.094 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.844 1.519 -0.340 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.803 1.882 -1.703 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.206 0.280 -1.631 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.577 -1.374 -1.825 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.260 -0.472 -0.324 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.645 3.539 -1.541 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.785 2.596 -3.044 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.842 2.227 -1.659 1.00 0.00 H new ATOM 1335 N LYS A 87 -1.354 -3.135 -1.441 1.00 0.00 N ATOM 1336 CA LYS A 87 -1.834 -4.457 -1.929 1.00 0.00 C ATOM 1337 C LYS A 87 -3.353 -4.537 -1.764 1.00 0.00 C ATOM 1338 O LYS A 87 -3.885 -4.240 -0.712 1.00 0.00 O ATOM 1339 CB LYS A 87 -1.141 -5.493 -1.042 1.00 0.00 C ATOM 1340 CG LYS A 87 -1.573 -6.898 -1.470 1.00 0.00 C ATOM 1341 CD LYS A 87 -0.775 -7.940 -0.683 1.00 0.00 C ATOM 1342 CE LYS A 87 0.689 -7.900 -1.123 1.00 0.00 C ATOM 1343 NZ LYS A 87 0.831 -9.027 -2.088 1.00 0.00 N ATOM 0 H LYS A 87 -1.177 -3.078 -0.438 1.00 0.00 H new ATOM 0 HA LYS A 87 -1.608 -4.621 -2.983 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.059 -5.392 -1.124 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.399 -5.324 0.003 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.640 -7.032 -1.292 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.409 -7.030 -2.539 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -0.850 -7.740 0.386 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -1.189 -8.934 -0.851 1.00 0.00 H new ATOM 0 HE2 LYS A 87 0.935 -6.947 -1.590 1.00 0.00 H new ATOM 0 HE3 LYS A 87 1.360 -8.021 -0.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 1.780 -9.004 -2.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 0.696 -9.930 -1.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 0.115 -8.935 -2.837 1.00 0.00 H new ATOM 1357 N VAL A 88 -4.059 -4.832 -2.821 1.00 0.00 N ATOM 1358 CA VAL A 88 -5.549 -4.807 -2.754 1.00 0.00 C ATOM 1359 C VAL A 88 -6.100 -6.233 -2.705 1.00 0.00 C ATOM 1360 O VAL A 88 -5.714 -7.087 -3.479 1.00 0.00 O ATOM 1361 CB VAL A 88 -5.988 -4.102 -4.039 1.00 0.00 C ATOM 1362 CG1 VAL A 88 -7.515 -4.017 -4.080 1.00 0.00 C ATOM 1363 CG2 VAL A 88 -5.398 -2.691 -4.071 1.00 0.00 C ATOM 0 H VAL A 88 -3.669 -5.089 -3.728 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.916 -4.297 -1.863 1.00 0.00 H new ATOM 0 HB VAL A 88 -5.633 -4.665 -4.902 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.827 -3.515 -4.996 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.936 -5.022 -4.056 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -7.871 -3.454 -3.218 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.710 -2.187 -4.986 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -5.753 -2.128 -3.208 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.310 -2.751 -4.042 1.00 0.00 H new ATOM 1373 N LEU A 89 -6.999 -6.497 -1.797 1.00 0.00 N ATOM 1374 CA LEU A 89 -7.572 -7.847 -1.681 1.00 0.00 C ATOM 1375 C LEU A 89 -9.095 -7.723 -1.552 1.00 0.00 C ATOM 1376 O LEU A 89 -9.599 -6.745 -1.040 1.00 0.00 O ATOM 1377 CB LEU A 89 -6.972 -8.417 -0.395 1.00 0.00 C ATOM 1378 CG LEU A 89 -5.448 -8.284 -0.433 1.00 0.00 C ATOM 1379 CD1 LEU A 89 -4.863 -8.730 0.909 1.00 0.00 C ATOM 1380 CD2 LEU A 89 -4.883 -9.164 -1.552 1.00 0.00 C ATOM 0 H LEU A 89 -7.359 -5.818 -1.126 1.00 0.00 H new ATOM 0 HA LEU A 89 -7.357 -8.482 -2.540 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -7.371 -7.887 0.470 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.253 -9.464 -0.285 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.181 -7.244 -0.620 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.777 -8.635 0.882 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.262 -8.103 1.706 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.132 -9.770 1.096 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.798 -9.068 -1.577 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.151 -10.204 -1.367 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.298 -8.847 -2.509 1.00 0.00 H new ATOM 1392 N TYR A 90 -9.810 -8.730 -1.946 1.00 0.00 N ATOM 1393 CA TYR A 90 -11.299 -8.731 -1.783 1.00 0.00 C ATOM 1394 C TYR A 90 -11.946 -7.622 -2.622 1.00 0.00 C ATOM 1395 O TYR A 90 -12.784 -7.879 -3.463 1.00 0.00 O ATOM 1396 CB TYR A 90 -11.547 -8.499 -0.291 1.00 0.00 C ATOM 1397 CG TYR A 90 -11.830 -9.820 0.383 1.00 0.00 C ATOM 1398 CD1 TYR A 90 -13.030 -10.496 0.125 1.00 0.00 C ATOM 1399 CD2 TYR A 90 -10.890 -10.371 1.266 1.00 0.00 C ATOM 1400 CE1 TYR A 90 -13.292 -11.723 0.750 1.00 0.00 C ATOM 1401 CE2 TYR A 90 -11.152 -11.597 1.891 1.00 0.00 C ATOM 1402 CZ TYR A 90 -12.353 -12.274 1.633 1.00 0.00 C ATOM 1403 OH TYR A 90 -12.611 -13.481 2.249 1.00 0.00 O ATOM 0 H TYR A 90 -9.428 -9.570 -2.382 1.00 0.00 H new ATOM 0 HA TYR A 90 -11.738 -9.668 -2.125 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -10.677 -8.025 0.164 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -12.388 -7.820 -0.152 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -13.753 -10.072 -0.556 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -9.965 -9.850 1.464 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -14.217 -12.244 0.551 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -10.429 -12.021 2.572 1.00 0.00 H new ATOM 0 HH TYR A 90 -11.857 -13.720 2.828 1.00 0.00 H new ATOM 1413 N ARG A 91 -11.577 -6.392 -2.393 1.00 0.00 N ATOM 1414 CA ARG A 91 -12.187 -5.272 -3.170 1.00 0.00 C ATOM 1415 C ARG A 91 -13.702 -5.224 -2.945 1.00 0.00 C ATOM 1416 O ARG A 91 -14.261 -6.030 -2.227 1.00 0.00 O ATOM 1417 CB ARG A 91 -11.880 -5.602 -4.629 1.00 0.00 C ATOM 1418 CG ARG A 91 -11.934 -4.324 -5.469 1.00 0.00 C ATOM 1419 CD ARG A 91 -13.005 -4.472 -6.552 1.00 0.00 C ATOM 1420 NE ARG A 91 -12.254 -4.863 -7.778 1.00 0.00 N ATOM 1421 CZ ARG A 91 -12.896 -5.242 -8.852 1.00 0.00 C ATOM 1422 NH1 ARG A 91 -14.202 -5.257 -8.867 1.00 0.00 N ATOM 1423 NH2 ARG A 91 -12.229 -5.602 -9.914 1.00 0.00 N ATOM 0 H ARG A 91 -10.880 -6.112 -1.703 1.00 0.00 H new ATOM 0 HA ARG A 91 -11.793 -4.301 -2.870 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.894 -6.060 -4.709 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -12.600 -6.328 -5.007 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -12.160 -3.467 -4.834 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -10.963 -4.135 -5.926 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -13.741 -5.229 -6.280 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -13.548 -3.539 -6.701 1.00 0.00 H new ATOM 0 HE ARG A 91 -11.234 -4.835 -7.779 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -14.725 -4.972 -8.039 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -14.699 -5.553 -9.707 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -11.209 -5.587 -9.905 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -12.727 -5.898 -10.753 1.00 0.00 H new