USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 643 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 3 GLN : amide:sc= 0.257 K(o=0.79,f=-2.8) USER MOD Set 1.2: A 36 LYS NZ :NH3+ -171:sc= 0.53 (180deg=-0.64) USER MOD Set 2.1: A 8 CYS SG : rot 29:sc= 0.0836 USER MOD Set 2.2: A 15 SER OG : rot 50:sc= 0.591 USER MOD Single : A 1 MET CE :methyl -157:sc= -0.124 (180deg=-0.381) USER MOD Single : A 1 MET N :NH3+ -128:sc= 0.843 (180deg=-0.101) USER MOD Single : A 2 LYS NZ :NH3+ -166:sc= 0.139 (180deg=0.0524) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -1.17 K(o=-1.2,f=-4.4!) USER MOD Single : A 20 ASN : amide:sc= -0.844 K(o=-0.84,f=-0.25) USER MOD Single : A 25 MET CE :methyl 168:sc=-0.00143 (180deg=-0.261) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.0342 X(o=-0.034,f=0.001) USER MOD Single : A 30 ASN : amide:sc= -0.61 X(o=-0.61,f=-1) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -4.29! C(o=-4.3!,f=-8.2!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.237 USER MOD Single : A 55 THR OG1 : rot 58:sc= 0.0121 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.0169 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 144:sc= -0.42 (180deg=-1.85!) USER MOD Single : A 69 ASN : amide:sc= 0.249 X(o=0.25,f=0) USER MOD Single : A 72 ASN : amide:sc= -0.489 K(o=-0.49,f=-1.6!) USER MOD Single : A 82 THR OG1 : rot 80:sc= 0.941 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.0453 X(o=-0.045,f=-0.045) USER MOD Single : A 85 GLN : amide:sc= -0.208 X(o=-0.21,f=-0.21) USER MOD Single : A 88 THR OG1 : rot 68:sc= 0.513 USER MOD Single : A 91 GLN : amide:sc= -3.26 X(o=-3.3,f=-3.2) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.932 0.465 0.282 1.00 2.33 N ATOM 2 CA MET A 1 2.830 -0.098 -1.059 1.00 54.21 C ATOM 3 C MET A 1 3.709 -1.336 -1.198 1.00 23.25 C ATOM 4 O MET A 1 4.730 -1.464 -0.521 1.00 30.41 O ATOM 5 CB MET A 1 3.229 0.945 -2.105 1.00 15.00 C ATOM 6 CG MET A 1 4.671 1.408 -1.982 1.00 10.43 C ATOM 7 SD MET A 1 4.854 2.824 -0.880 1.00 21.45 S ATOM 8 CE MET A 1 6.114 2.219 0.241 1.00 14.13 C ATOM 0 H1 MET A 1 1.979 0.591 0.679 1.00 2.33 H new ATOM 0 H2 MET A 1 3.478 -0.180 0.889 1.00 2.33 H new ATOM 0 H3 MET A 1 3.412 1.386 0.236 1.00 2.33 H new ATOM 0 HA MET A 1 1.793 -0.390 -1.225 1.00 54.21 H new ATOM 0 HB2 MET A 1 3.074 0.528 -3.100 1.00 15.00 H new ATOM 0 HB3 MET A 1 2.570 1.808 -2.015 1.00 15.00 H new ATOM 0 HG2 MET A 1 5.283 0.584 -1.614 1.00 10.43 H new ATOM 0 HG3 MET A 1 5.050 1.670 -2.970 1.00 10.43 H new ATOM 0 HE1 MET A 1 6.055 2.764 1.183 1.00 14.13 H new ATOM 0 HE2 MET A 1 5.957 1.156 0.426 1.00 14.13 H new ATOM 0 HE3 MET A 1 7.098 2.368 -0.203 1.00 14.13 H new ATOM 18 N LYS A 2 3.307 -2.247 -2.078 1.00 44.50 N ATOM 19 CA LYS A 2 4.059 -3.475 -2.307 1.00 1.25 C ATOM 20 C LYS A 2 4.938 -3.352 -3.547 1.00 4.11 C ATOM 21 O LYS A 2 4.659 -3.962 -4.579 1.00 3.24 O ATOM 22 CB LYS A 2 3.104 -4.660 -2.461 1.00 72.41 C ATOM 23 CG LYS A 2 2.475 -5.109 -1.153 1.00 72.24 C ATOM 24 CD LYS A 2 3.467 -5.868 -0.289 1.00 23.31 C ATOM 25 CE LYS A 2 3.462 -7.355 -0.609 1.00 65.22 C ATOM 26 NZ LYS A 2 2.463 -8.096 0.209 1.00 0.35 N ATOM 0 H LYS A 2 2.464 -2.158 -2.645 1.00 44.50 H new ATOM 0 HA LYS A 2 4.702 -3.644 -1.443 1.00 1.25 H new ATOM 0 HB2 LYS A 2 2.313 -4.390 -3.161 1.00 72.41 H new ATOM 0 HB3 LYS A 2 3.646 -5.498 -2.900 1.00 72.41 H new ATOM 0 HG2 LYS A 2 2.107 -4.240 -0.608 1.00 72.24 H new ATOM 0 HG3 LYS A 2 1.613 -5.743 -1.361 1.00 72.24 H new ATOM 0 HD2 LYS A 2 4.468 -5.465 -0.443 1.00 23.31 H new ATOM 0 HD3 LYS A 2 3.222 -5.720 0.763 1.00 23.31 H new ATOM 0 HE2 LYS A 2 3.242 -7.498 -1.667 1.00 65.22 H new ATOM 0 HE3 LYS A 2 4.455 -7.768 -0.431 1.00 65.22 H new ATOM 0 HZ1 LYS A 2 2.648 -9.117 0.141 1.00 0.35 H new ATOM 0 HZ2 LYS A 2 2.536 -7.796 1.202 1.00 0.35 H new ATOM 0 HZ3 LYS A 2 1.506 -7.893 -0.144 1.00 0.35 H new ATOM 40 N GLN A 3 6.001 -2.561 -3.437 1.00 71.04 N ATOM 41 CA GLN A 3 6.921 -2.360 -4.551 1.00 12.13 C ATOM 42 C GLN A 3 7.392 -3.696 -5.116 1.00 55.21 C ATOM 43 O GLN A 3 8.111 -4.443 -4.453 1.00 71.44 O ATOM 44 CB GLN A 3 8.125 -1.530 -4.101 1.00 72.15 C ATOM 45 CG GLN A 3 8.965 -1.003 -5.254 1.00 33.41 C ATOM 46 CD GLN A 3 9.877 0.134 -4.839 1.00 23.31 C ATOM 47 OE1 GLN A 3 9.560 1.306 -5.043 1.00 31.22 O ATOM 48 NE2 GLN A 3 11.019 -0.207 -4.252 1.00 50.05 N ATOM 0 H GLN A 3 6.246 -2.050 -2.589 1.00 71.04 H new ATOM 0 HA GLN A 3 6.390 -1.822 -5.336 1.00 12.13 H new ATOM 0 HB2 GLN A 3 7.773 -0.688 -3.504 1.00 72.15 H new ATOM 0 HB3 GLN A 3 8.754 -2.140 -3.453 1.00 72.15 H new ATOM 0 HG2 GLN A 3 9.566 -1.816 -5.662 1.00 33.41 H new ATOM 0 HG3 GLN A 3 8.306 -0.662 -6.053 1.00 33.41 H new ATOM 0 HE21 GLN A 3 11.242 -1.191 -4.103 1.00 50.05 H new ATOM 0 HE22 GLN A 3 11.673 0.515 -3.951 1.00 50.05 H new ATOM 57 N VAL A 4 6.980 -3.990 -6.345 1.00 64.44 N ATOM 58 CA VAL A 4 7.361 -5.236 -7.001 1.00 35.23 C ATOM 59 C VAL A 4 8.358 -4.983 -8.125 1.00 63.43 C ATOM 60 O VAL A 4 8.009 -4.423 -9.166 1.00 25.45 O ATOM 61 CB VAL A 4 6.132 -5.966 -7.574 1.00 74.51 C ATOM 62 CG1 VAL A 4 6.552 -7.247 -8.280 1.00 2.42 C ATOM 63 CG2 VAL A 4 5.125 -6.261 -6.472 1.00 64.30 C ATOM 0 H VAL A 4 6.383 -3.383 -6.906 1.00 64.44 H new ATOM 0 HA VAL A 4 7.827 -5.864 -6.242 1.00 35.23 H new ATOM 0 HB VAL A 4 5.654 -5.315 -8.307 1.00 74.51 H new ATOM 0 HG11 VAL A 4 5.670 -7.749 -8.678 1.00 2.42 H new ATOM 0 HG12 VAL A 4 7.232 -7.006 -9.097 1.00 2.42 H new ATOM 0 HG13 VAL A 4 7.055 -7.905 -7.571 1.00 2.42 H new ATOM 0 HG21 VAL A 4 4.263 -6.777 -6.895 1.00 64.30 H new ATOM 0 HG22 VAL A 4 5.589 -6.892 -5.714 1.00 64.30 H new ATOM 0 HG23 VAL A 4 4.800 -5.326 -6.016 1.00 64.30 H new ATOM 73 N LEU A 5 9.601 -5.400 -7.910 1.00 43.24 N ATOM 74 CA LEU A 5 10.652 -5.219 -8.907 1.00 33.34 C ATOM 75 C LEU A 5 10.522 -6.247 -10.026 1.00 44.25 C ATOM 76 O LEU A 5 9.712 -7.170 -9.946 1.00 22.34 O ATOM 77 CB LEU A 5 12.029 -5.333 -8.251 1.00 31.53 C ATOM 78 CG LEU A 5 12.533 -4.084 -7.527 1.00 65.35 C ATOM 79 CD1 LEU A 5 12.624 -2.910 -8.490 1.00 24.41 C ATOM 80 CD2 LEU A 5 11.627 -3.745 -6.353 1.00 53.15 C ATOM 0 H LEU A 5 9.906 -5.865 -7.055 1.00 43.24 H new ATOM 0 HA LEU A 5 10.543 -4.224 -9.338 1.00 33.34 H new ATOM 0 HB2 LEU A 5 12.002 -6.156 -7.537 1.00 31.53 H new ATOM 0 HB3 LEU A 5 12.754 -5.601 -9.019 1.00 31.53 H new ATOM 0 HG LEU A 5 13.531 -4.289 -7.141 1.00 65.35 H new ATOM 0 HD11 LEU A 5 12.984 -2.030 -7.958 1.00 24.41 H new ATOM 0 HD12 LEU A 5 13.315 -3.154 -9.297 1.00 24.41 H new ATOM 0 HD13 LEU A 5 11.638 -2.704 -8.906 1.00 24.41 H new ATOM 0 HD21 LEU A 5 12.001 -2.853 -5.850 1.00 53.15 H new ATOM 0 HD22 LEU A 5 10.616 -3.559 -6.715 1.00 53.15 H new ATOM 0 HD23 LEU A 5 11.614 -4.579 -5.651 1.00 53.15 H new ATOM 92 N VAL A 6 11.328 -6.081 -11.071 1.00 10.03 N ATOM 93 CA VAL A 6 11.306 -6.996 -12.206 1.00 3.31 C ATOM 94 C VAL A 6 12.677 -7.082 -12.868 1.00 54.15 C ATOM 95 O VAL A 6 13.104 -6.155 -13.556 1.00 60.33 O ATOM 96 CB VAL A 6 10.267 -6.562 -13.256 1.00 74.23 C ATOM 97 CG1 VAL A 6 10.290 -7.503 -14.451 1.00 71.30 C ATOM 98 CG2 VAL A 6 8.878 -6.506 -12.639 1.00 14.53 C ATOM 0 H VAL A 6 12.004 -5.322 -11.154 1.00 10.03 H new ATOM 0 HA VAL A 6 11.031 -7.977 -11.818 1.00 3.31 H new ATOM 0 HB VAL A 6 10.525 -5.562 -13.606 1.00 74.23 H new ATOM 0 HG11 VAL A 6 9.549 -7.180 -15.182 1.00 71.30 H new ATOM 0 HG12 VAL A 6 11.280 -7.488 -14.907 1.00 71.30 H new ATOM 0 HG13 VAL A 6 10.057 -8.516 -14.121 1.00 71.30 H new ATOM 0 HG21 VAL A 6 8.156 -6.198 -13.395 1.00 14.53 H new ATOM 0 HG22 VAL A 6 8.608 -7.492 -12.260 1.00 14.53 H new ATOM 0 HG23 VAL A 6 8.873 -5.788 -11.819 1.00 14.53 H new ATOM 108 N ALA A 7 13.361 -8.201 -12.657 1.00 32.33 N ATOM 109 CA ALA A 7 14.682 -8.410 -13.236 1.00 22.14 C ATOM 110 C ALA A 7 14.698 -9.638 -14.140 1.00 12.04 C ATOM 111 O ALA A 7 13.822 -10.499 -14.048 1.00 71.01 O ATOM 112 CB ALA A 7 15.724 -8.549 -12.136 1.00 3.23 C ATOM 0 H ALA A 7 13.022 -8.977 -12.089 1.00 32.33 H new ATOM 0 HA ALA A 7 14.926 -7.540 -13.845 1.00 22.14 H new ATOM 0 HB1 ALA A 7 16.706 -8.705 -12.583 1.00 3.23 H new ATOM 0 HB2 ALA A 7 15.739 -7.641 -11.533 1.00 3.23 H new ATOM 0 HB3 ALA A 7 15.474 -9.401 -11.504 1.00 3.23 H new ATOM 118 N CYS A 8 15.697 -9.712 -15.012 1.00 11.12 N ATOM 119 CA CYS A 8 15.825 -10.835 -15.934 1.00 42.41 C ATOM 120 C CYS A 8 17.261 -10.968 -16.432 1.00 32.02 C ATOM 121 O CYS A 8 17.869 -9.993 -16.872 1.00 23.55 O ATOM 122 CB CYS A 8 14.876 -10.658 -17.120 1.00 33.40 C ATOM 123 SG CYS A 8 15.132 -9.129 -18.050 1.00 12.13 S ATOM 0 H CYS A 8 16.430 -9.008 -15.100 1.00 11.12 H new ATOM 0 HA CYS A 8 15.559 -11.746 -15.398 1.00 42.41 H new ATOM 0 HB2 CYS A 8 14.994 -11.505 -17.795 1.00 33.40 H new ATOM 0 HB3 CYS A 8 13.849 -10.681 -16.756 1.00 33.40 H new ATOM 0 HG CYS A 8 16.380 -8.775 -17.968 1.00 12.13 H new ATOM 196 N SER A 15 12.054 -8.026 -20.841 1.00 61.03 N ATOM 197 CA SER A 15 10.908 -8.245 -19.967 1.00 71.20 C ATOM 198 C SER A 15 9.870 -7.141 -20.144 1.00 44.42 C ATOM 199 O SER A 15 9.888 -6.135 -19.433 1.00 33.52 O ATOM 200 CB SER A 15 11.358 -8.308 -18.506 1.00 44.33 C ATOM 201 OG SER A 15 12.073 -7.139 -18.143 1.00 23.54 O ATOM 0 HA SER A 15 10.451 -9.196 -20.240 1.00 71.20 H new ATOM 0 HB2 SER A 15 10.488 -8.422 -17.859 1.00 44.33 H new ATOM 0 HB3 SER A 15 11.987 -9.185 -18.353 1.00 44.33 H new ATOM 0 HG SER A 15 11.563 -6.347 -18.412 1.00 23.54 H new ATOM 207 N THR A 16 8.966 -7.334 -21.099 1.00 61.43 N ATOM 208 CA THR A 16 7.921 -6.356 -21.372 1.00 43.24 C ATOM 209 C THR A 16 6.536 -6.970 -21.207 1.00 71.04 C ATOM 210 O THR A 16 5.689 -6.433 -20.493 1.00 72.24 O ATOM 211 CB THR A 16 8.049 -5.780 -22.795 1.00 52.04 C ATOM 212 OG1 THR A 16 9.425 -5.524 -23.099 1.00 33.21 O ATOM 213 CG2 THR A 16 7.246 -4.495 -22.933 1.00 45.12 C ATOM 0 H THR A 16 8.937 -8.160 -21.697 1.00 61.43 H new ATOM 0 HA THR A 16 8.046 -5.550 -20.649 1.00 43.24 H new ATOM 0 HB THR A 16 7.653 -6.514 -23.497 1.00 52.04 H new ATOM 0 HG1 THR A 16 9.497 -5.160 -24.006 1.00 33.21 H new ATOM 0 HG21 THR A 16 7.352 -4.107 -23.946 1.00 45.12 H new ATOM 0 HG22 THR A 16 6.195 -4.699 -22.731 1.00 45.12 H new ATOM 0 HG23 THR A 16 7.616 -3.757 -22.221 1.00 45.12 H new ATOM 221 N VAL A 17 6.311 -8.099 -21.872 1.00 24.44 N ATOM 222 CA VAL A 17 5.028 -8.788 -21.797 1.00 25.12 C ATOM 223 C VAL A 17 4.606 -9.007 -20.348 1.00 52.25 C ATOM 224 O VAL A 17 3.433 -8.863 -20.004 1.00 75.13 O ATOM 225 CB VAL A 17 5.079 -10.149 -22.516 1.00 63.04 C ATOM 226 CG1 VAL A 17 3.748 -10.873 -22.384 1.00 24.55 C ATOM 227 CG2 VAL A 17 5.451 -9.964 -23.980 1.00 2.12 C ATOM 0 H VAL A 17 7.001 -8.556 -22.469 1.00 24.44 H new ATOM 0 HA VAL A 17 4.297 -8.150 -22.293 1.00 25.12 H new ATOM 0 HB VAL A 17 5.847 -10.761 -22.044 1.00 63.04 H new ATOM 0 HG11 VAL A 17 3.803 -11.833 -22.898 1.00 24.55 H new ATOM 0 HG12 VAL A 17 3.527 -11.039 -21.330 1.00 24.55 H new ATOM 0 HG13 VAL A 17 2.959 -10.268 -22.830 1.00 24.55 H new ATOM 0 HG21 VAL A 17 5.483 -10.936 -24.473 1.00 2.12 H new ATOM 0 HG22 VAL A 17 4.707 -9.334 -24.468 1.00 2.12 H new ATOM 0 HG23 VAL A 17 6.430 -9.490 -24.050 1.00 2.12 H new ATOM 237 N VAL A 18 5.570 -9.355 -19.502 1.00 61.14 N ATOM 238 CA VAL A 18 5.299 -9.592 -18.090 1.00 32.43 C ATOM 239 C VAL A 18 4.778 -8.331 -17.411 1.00 0.44 C ATOM 240 O VAL A 18 3.618 -8.265 -17.006 1.00 40.14 O ATOM 241 CB VAL A 18 6.560 -10.077 -17.350 1.00 34.33 C ATOM 242 CG1 VAL A 18 6.236 -10.401 -15.899 1.00 62.42 C ATOM 243 CG2 VAL A 18 7.158 -11.285 -18.054 1.00 24.51 C ATOM 0 H VAL A 18 6.546 -9.479 -19.771 1.00 61.14 H new ATOM 0 HA VAL A 18 4.536 -10.369 -18.040 1.00 32.43 H new ATOM 0 HB VAL A 18 7.299 -9.276 -17.362 1.00 34.33 H new ATOM 0 HG11 VAL A 18 7.139 -10.742 -15.392 1.00 62.42 H new ATOM 0 HG12 VAL A 18 5.857 -9.508 -15.403 1.00 62.42 H new ATOM 0 HG13 VAL A 18 5.480 -11.186 -15.861 1.00 62.42 H new ATOM 0 HG21 VAL A 18 8.048 -11.615 -17.518 1.00 24.51 H new ATOM 0 HG22 VAL A 18 6.427 -12.093 -18.075 1.00 24.51 H new ATOM 0 HG23 VAL A 18 7.428 -11.014 -19.075 1.00 24.51 H new ATOM 253 N ASN A 19 5.644 -7.330 -17.289 1.00 64.12 N ATOM 254 CA ASN A 19 5.272 -6.069 -16.659 1.00 10.24 C ATOM 255 C ASN A 19 3.990 -5.512 -17.271 1.00 21.42 C ATOM 256 O ASN A 19 3.112 -5.025 -16.560 1.00 73.34 O ATOM 257 CB ASN A 19 6.404 -5.049 -16.802 1.00 75.13 C ATOM 258 CG ASN A 19 5.944 -3.632 -16.519 1.00 2.05 C ATOM 259 OD1 ASN A 19 5.354 -3.356 -15.474 1.00 74.51 O ATOM 260 ND2 ASN A 19 6.214 -2.725 -17.450 1.00 42.01 N ATOM 0 H ASN A 19 6.609 -7.368 -17.618 1.00 64.12 H new ATOM 0 HA ASN A 19 5.095 -6.259 -15.600 1.00 10.24 H new ATOM 0 HB2 ASN A 19 7.212 -5.309 -16.119 1.00 75.13 H new ATOM 0 HB3 ASN A 19 6.811 -5.101 -17.812 1.00 75.13 H new ATOM 0 HD21 ASN A 19 5.930 -1.755 -17.314 1.00 42.01 H new ATOM 0 HD22 ASN A 19 6.705 -2.998 -18.301 1.00 42.01 H new ATOM 267 N ASN A 20 3.891 -5.589 -18.594 1.00 33.31 N ATOM 268 CA ASN A 20 2.716 -5.093 -19.302 1.00 63.43 C ATOM 269 C ASN A 20 1.473 -5.889 -18.917 1.00 54.22 C ATOM 270 O ASN A 20 0.364 -5.355 -18.897 1.00 31.32 O ATOM 271 CB ASN A 20 2.937 -5.171 -20.814 1.00 53.44 C ATOM 272 CG ASN A 20 3.714 -3.982 -21.347 1.00 22.33 C ATOM 273 OD1 ASN A 20 3.218 -3.226 -22.182 1.00 4.32 O ATOM 274 ND2 ASN A 20 4.940 -3.813 -20.865 1.00 31.45 N ATOM 0 H ASN A 20 4.609 -5.990 -19.197 1.00 33.31 H new ATOM 0 HA ASN A 20 2.562 -4.052 -19.016 1.00 63.43 H new ATOM 0 HB2 ASN A 20 3.474 -6.089 -21.053 1.00 53.44 H new ATOM 0 HB3 ASN A 20 1.972 -5.226 -21.317 1.00 53.44 H new ATOM 0 HD21 ASN A 20 5.511 -3.031 -21.186 1.00 31.45 H new ATOM 0 HD22 ASN A 20 5.310 -4.465 -20.174 1.00 31.45 H new ATOM 281 N ALA A 21 1.666 -7.168 -18.612 1.00 10.31 N ATOM 282 CA ALA A 21 0.561 -8.036 -18.225 1.00 21.13 C ATOM 283 C ALA A 21 0.191 -7.833 -16.760 1.00 33.15 C ATOM 284 O ALA A 21 -0.977 -7.939 -16.385 1.00 34.14 O ATOM 285 CB ALA A 21 0.919 -9.492 -18.484 1.00 35.21 C ATOM 0 H ALA A 21 2.577 -7.626 -18.625 1.00 10.31 H new ATOM 0 HA ALA A 21 -0.306 -7.773 -18.831 1.00 21.13 H new ATOM 0 HB1 ALA A 21 0.085 -10.129 -18.191 1.00 35.21 H new ATOM 0 HB2 ALA A 21 1.127 -9.632 -19.545 1.00 35.21 H new ATOM 0 HB3 ALA A 21 1.802 -9.759 -17.903 1.00 35.21 H new ATOM 291 N ILE A 22 1.192 -7.542 -15.936 1.00 12.31 N ATOM 292 CA ILE A 22 0.970 -7.324 -14.512 1.00 10.41 C ATOM 293 C ILE A 22 0.389 -5.938 -14.252 1.00 1.12 C ATOM 294 O ILE A 22 -0.471 -5.767 -13.389 1.00 33.31 O ATOM 295 CB ILE A 22 2.275 -7.480 -13.708 1.00 74.25 C ATOM 296 CG1 ILE A 22 2.839 -8.892 -13.881 1.00 10.13 C ATOM 297 CG2 ILE A 22 2.030 -7.177 -12.238 1.00 24.23 C ATOM 298 CD1 ILE A 22 1.878 -9.982 -13.460 1.00 64.12 C ATOM 0 H ILE A 22 2.165 -7.452 -16.230 1.00 12.31 H new ATOM 0 HA ILE A 22 0.258 -8.082 -14.184 1.00 10.41 H new ATOM 0 HB ILE A 22 3.007 -6.768 -14.088 1.00 74.25 H new ATOM 0 HG12 ILE A 22 3.109 -9.041 -14.926 1.00 10.13 H new ATOM 0 HG13 ILE A 22 3.756 -8.982 -13.299 1.00 10.13 H new ATOM 0 HG21 ILE A 22 2.961 -7.291 -11.683 1.00 24.23 H new ATOM 0 HG22 ILE A 22 1.668 -6.154 -12.133 1.00 24.23 H new ATOM 0 HG23 ILE A 22 1.285 -7.868 -11.843 1.00 24.23 H new ATOM 0 HD11 ILE A 22 2.344 -10.956 -13.610 1.00 64.12 H new ATOM 0 HD12 ILE A 22 1.626 -9.858 -12.407 1.00 64.12 H new ATOM 0 HD13 ILE A 22 0.970 -9.918 -14.060 1.00 64.12 H new ATOM 310 N GLU A 23 0.865 -4.952 -15.006 1.00 12.32 N ATOM 311 CA GLU A 23 0.391 -3.581 -14.857 1.00 3.42 C ATOM 312 C GLU A 23 -1.084 -3.471 -15.232 1.00 43.44 C ATOM 313 O GLU A 23 -1.832 -2.703 -14.629 1.00 52.31 O ATOM 314 CB GLU A 23 1.222 -2.633 -15.725 1.00 60.42 C ATOM 315 CG GLU A 23 1.032 -2.851 -17.217 1.00 22.31 C ATOM 316 CD GLU A 23 1.838 -1.878 -18.056 1.00 32.33 C ATOM 317 OE1 GLU A 23 1.325 -1.431 -19.103 1.00 65.51 O ATOM 318 OE2 GLU A 23 2.981 -1.564 -17.664 1.00 2.31 O ATOM 0 H GLU A 23 1.577 -5.077 -15.725 1.00 12.32 H new ATOM 0 HA GLU A 23 0.504 -3.297 -13.811 1.00 3.42 H new ATOM 0 HB2 GLU A 23 0.958 -1.604 -15.480 1.00 60.42 H new ATOM 0 HB3 GLU A 23 2.276 -2.759 -15.479 1.00 60.42 H new ATOM 0 HG2 GLU A 23 1.322 -3.871 -17.471 1.00 22.31 H new ATOM 0 HG3 GLU A 23 -0.025 -2.749 -17.464 1.00 22.31 H new ATOM 325 N GLU A 24 -1.493 -4.244 -16.234 1.00 3.34 N ATOM 326 CA GLU A 24 -2.877 -4.232 -16.690 1.00 53.15 C ATOM 327 C GLU A 24 -3.773 -5.010 -15.731 1.00 74.35 C ATOM 328 O GLU A 24 -4.931 -4.651 -15.517 1.00 5.33 O ATOM 329 CB GLU A 24 -2.979 -4.826 -18.097 1.00 22.43 C ATOM 330 CG GLU A 24 -2.523 -6.273 -18.180 1.00 61.41 C ATOM 331 CD GLU A 24 -2.715 -6.867 -19.562 1.00 43.24 C ATOM 332 OE1 GLU A 24 -1.804 -6.717 -20.403 1.00 45.33 O ATOM 333 OE2 GLU A 24 -3.775 -7.480 -19.803 1.00 70.53 O ATOM 0 H GLU A 24 -0.886 -4.885 -16.744 1.00 3.34 H new ATOM 0 HA GLU A 24 -3.215 -3.196 -16.715 1.00 53.15 H new ATOM 0 HB2 GLU A 24 -4.013 -4.759 -18.437 1.00 22.43 H new ATOM 0 HB3 GLU A 24 -2.379 -4.225 -18.781 1.00 22.43 H new ATOM 0 HG2 GLU A 24 -1.470 -6.334 -17.905 1.00 61.41 H new ATOM 0 HG3 GLU A 24 -3.077 -6.867 -17.453 1.00 61.41 H new ATOM 340 N MET A 25 -3.229 -6.079 -15.159 1.00 35.05 N ATOM 341 CA MET A 25 -3.979 -6.908 -14.222 1.00 70.30 C ATOM 342 C MET A 25 -4.134 -6.205 -12.877 1.00 60.41 C ATOM 343 O MET A 25 -5.237 -6.112 -12.339 1.00 25.14 O ATOM 344 CB MET A 25 -3.281 -8.256 -14.029 1.00 3.20 C ATOM 345 CG MET A 25 -3.568 -9.254 -15.139 1.00 44.53 C ATOM 346 SD MET A 25 -3.996 -10.888 -14.511 1.00 22.34 S ATOM 347 CE MET A 25 -3.293 -11.935 -15.783 1.00 32.01 C ATOM 0 H MET A 25 -2.273 -6.392 -15.327 1.00 35.05 H new ATOM 0 HA MET A 25 -4.972 -7.077 -14.640 1.00 70.30 H new ATOM 0 HB2 MET A 25 -2.205 -8.093 -13.968 1.00 3.20 H new ATOM 0 HB3 MET A 25 -3.593 -8.685 -13.077 1.00 3.20 H new ATOM 0 HG2 MET A 25 -4.386 -8.880 -15.755 1.00 44.53 H new ATOM 0 HG3 MET A 25 -2.693 -9.335 -15.784 1.00 44.53 H new ATOM 0 HE1 MET A 25 -3.285 -12.969 -15.439 1.00 32.01 H new ATOM 0 HE2 MET A 25 -3.893 -11.858 -16.690 1.00 32.01 H new ATOM 0 HE3 MET A 25 -2.273 -11.615 -15.995 1.00 32.01 H new ATOM 357 N ALA A 26 -3.022 -5.713 -12.340 1.00 74.12 N ATOM 358 CA ALA A 26 -3.036 -5.018 -11.059 1.00 41.54 C ATOM 359 C ALA A 26 -4.087 -3.913 -11.045 1.00 72.14 C ATOM 360 O ALA A 26 -4.692 -3.630 -10.011 1.00 74.41 O ATOM 361 CB ALA A 26 -1.660 -4.443 -10.756 1.00 40.14 C ATOM 0 H ALA A 26 -2.101 -5.783 -12.772 1.00 74.12 H new ATOM 0 HA ALA A 26 -3.295 -5.740 -10.285 1.00 41.54 H new ATOM 0 HB1 ALA A 26 -1.685 -3.927 -9.796 1.00 40.14 H new ATOM 0 HB2 ALA A 26 -0.929 -5.251 -10.715 1.00 40.14 H new ATOM 0 HB3 ALA A 26 -1.379 -3.739 -11.540 1.00 40.14 H new ATOM 367 N LYS A 27 -4.300 -3.291 -12.200 1.00 1.41 N ATOM 368 CA LYS A 27 -5.279 -2.217 -12.322 1.00 2.24 C ATOM 369 C LYS A 27 -6.699 -2.758 -12.193 1.00 70.14 C ATOM 370 O LYS A 27 -7.537 -2.170 -11.512 1.00 14.54 O ATOM 371 CB LYS A 27 -5.114 -1.499 -13.663 1.00 54.21 C ATOM 372 CG LYS A 27 -6.415 -0.947 -14.221 1.00 1.53 C ATOM 373 CD LYS A 27 -6.166 0.210 -15.174 1.00 51.12 C ATOM 374 CE LYS A 27 -6.098 1.537 -14.435 1.00 13.43 C ATOM 375 NZ LYS A 27 -6.275 2.695 -15.355 1.00 31.20 N ATOM 0 H LYS A 27 -3.807 -3.512 -13.065 1.00 1.41 H new ATOM 0 HA LYS A 27 -5.105 -1.507 -11.513 1.00 2.24 H new ATOM 0 HB2 LYS A 27 -4.404 -0.681 -13.543 1.00 54.21 H new ATOM 0 HB3 LYS A 27 -4.683 -2.192 -14.386 1.00 54.21 H new ATOM 0 HG2 LYS A 27 -6.954 -1.739 -14.741 1.00 1.53 H new ATOM 0 HG3 LYS A 27 -7.051 -0.614 -13.401 1.00 1.53 H new ATOM 0 HD2 LYS A 27 -5.233 0.044 -15.713 1.00 51.12 H new ATOM 0 HD3 LYS A 27 -6.962 0.247 -15.918 1.00 51.12 H new ATOM 0 HE2 LYS A 27 -6.869 1.564 -13.665 1.00 13.43 H new ATOM 0 HE3 LYS A 27 -5.137 1.621 -13.927 1.00 13.43 H new ATOM 0 HZ1 LYS A 27 -6.222 3.581 -14.812 1.00 31.20 H new ATOM 0 HZ2 LYS A 27 -5.524 2.685 -16.075 1.00 31.20 H new ATOM 0 HZ3 LYS A 27 -7.202 2.629 -15.821 1.00 31.20 H new ATOM 389 N GLU A 28 -6.961 -3.883 -12.852 1.00 43.21 N ATOM 390 CA GLU A 28 -8.280 -4.503 -12.810 1.00 41.40 C ATOM 391 C GLU A 28 -8.662 -4.872 -11.380 1.00 12.14 C ATOM 392 O GLU A 28 -9.828 -4.778 -10.993 1.00 25.14 O ATOM 393 CB GLU A 28 -8.310 -5.750 -13.696 1.00 14.11 C ATOM 394 CG GLU A 28 -9.699 -6.344 -13.863 1.00 42.00 C ATOM 395 CD GLU A 28 -10.613 -5.466 -14.696 1.00 24.20 C ATOM 396 OE1 GLU A 28 -10.353 -5.320 -15.909 1.00 22.45 O ATOM 397 OE2 GLU A 28 -11.588 -4.925 -14.134 1.00 72.13 O ATOM 0 H GLU A 28 -6.278 -4.383 -13.421 1.00 43.21 H new ATOM 0 HA GLU A 28 -9.005 -3.781 -13.186 1.00 41.40 H new ATOM 0 HB2 GLU A 28 -7.911 -5.497 -14.679 1.00 14.11 H new ATOM 0 HB3 GLU A 28 -7.650 -6.505 -13.269 1.00 14.11 H new ATOM 0 HG2 GLU A 28 -9.617 -7.324 -14.332 1.00 42.00 H new ATOM 0 HG3 GLU A 28 -10.145 -6.497 -12.880 1.00 42.00 H new ATOM 404 N HIS A 29 -7.672 -5.293 -10.599 1.00 13.34 N ATOM 405 CA HIS A 29 -7.904 -5.676 -9.211 1.00 21.54 C ATOM 406 C HIS A 29 -7.983 -4.446 -8.313 1.00 10.45 C ATOM 407 O HIS A 29 -8.655 -4.459 -7.282 1.00 71.53 O ATOM 408 CB HIS A 29 -6.792 -6.606 -8.724 1.00 71.52 C ATOM 409 CG HIS A 29 -6.845 -7.973 -9.334 1.00 64.24 C ATOM 410 ND1 HIS A 29 -7.676 -8.972 -8.873 1.00 61.01 N ATOM 411 CD2 HIS A 29 -6.164 -8.504 -10.377 1.00 23.11 C ATOM 412 CE1 HIS A 29 -7.503 -10.059 -9.604 1.00 42.42 C ATOM 413 NE2 HIS A 29 -6.591 -9.801 -10.524 1.00 44.11 N ATOM 0 H HIS A 29 -6.702 -5.377 -10.904 1.00 13.34 H new ATOM 0 HA HIS A 29 -8.857 -6.203 -9.160 1.00 21.54 H new ATOM 0 HB2 HIS A 29 -5.826 -6.154 -8.950 1.00 71.52 H new ATOM 0 HB3 HIS A 29 -6.855 -6.698 -7.640 1.00 71.52 H new ATOM 0 HD2 HIS A 29 -5.423 -8.001 -10.981 1.00 23.11 H new ATOM 0 HE1 HIS A 29 -8.019 -10.998 -9.472 1.00 42.42 H new ATOM 0 HE2 HIS A 29 -6.258 -10.458 -11.229 1.00 44.11 H new ATOM 421 N ASN A 30 -7.291 -3.383 -8.711 1.00 11.02 N ATOM 422 CA ASN A 30 -7.282 -2.144 -7.941 1.00 72.31 C ATOM 423 C ASN A 30 -6.608 -2.350 -6.588 1.00 14.33 C ATOM 424 O ASN A 30 -7.112 -1.901 -5.558 1.00 35.13 O ATOM 425 CB ASN A 30 -8.711 -1.634 -7.740 1.00 25.10 C ATOM 426 CG ASN A 30 -9.560 -1.787 -8.987 1.00 31.32 C ATOM 427 OD1 ASN A 30 -9.396 -1.049 -9.958 1.00 65.12 O ATOM 428 ND2 ASN A 30 -10.475 -2.749 -8.964 1.00 71.54 N ATOM 0 H ASN A 30 -6.729 -3.355 -9.562 1.00 11.02 H new ATOM 0 HA ASN A 30 -6.714 -1.401 -8.501 1.00 72.31 H new ATOM 0 HB2 ASN A 30 -9.176 -2.178 -6.918 1.00 25.10 H new ATOM 0 HB3 ASN A 30 -8.682 -0.584 -7.450 1.00 25.10 H new ATOM 0 HD21 ASN A 30 -11.077 -2.900 -9.773 1.00 71.54 H new ATOM 0 HD22 ASN A 30 -10.576 -3.337 -8.137 1.00 71.54 H new ATOM 435 N ILE A 31 -5.467 -3.030 -6.599 1.00 1.35 N ATOM 436 CA ILE A 31 -4.723 -3.293 -5.373 1.00 14.33 C ATOM 437 C ILE A 31 -3.576 -2.303 -5.203 1.00 0.15 C ATOM 438 O ILE A 31 -3.027 -1.797 -6.182 1.00 23.44 O ATOM 439 CB ILE A 31 -4.158 -4.725 -5.354 1.00 21.13 C ATOM 440 CG1 ILE A 31 -5.250 -5.733 -5.719 1.00 1.24 C ATOM 441 CG2 ILE A 31 -3.570 -5.044 -3.987 1.00 72.42 C ATOM 442 CD1 ILE A 31 -4.736 -7.145 -5.891 1.00 1.00 C ATOM 0 H ILE A 31 -5.037 -3.409 -7.443 1.00 1.35 H new ATOM 0 HA ILE A 31 -5.425 -3.177 -4.547 1.00 14.33 H new ATOM 0 HB ILE A 31 -3.362 -4.796 -6.096 1.00 21.13 H new ATOM 0 HG12 ILE A 31 -6.014 -5.725 -4.942 1.00 1.24 H new ATOM 0 HG13 ILE A 31 -5.732 -5.415 -6.644 1.00 1.24 H new ATOM 0 HG21 ILE A 31 -3.175 -6.060 -3.989 1.00 72.42 H new ATOM 0 HG22 ILE A 31 -2.766 -4.342 -3.764 1.00 72.42 H new ATOM 0 HG23 ILE A 31 -4.347 -4.959 -3.228 1.00 72.42 H new ATOM 0 HD11 ILE A 31 -5.564 -7.805 -6.149 1.00 1.00 H new ATOM 0 HD12 ILE A 31 -3.993 -7.167 -6.688 1.00 1.00 H new ATOM 0 HD13 ILE A 31 -4.280 -7.482 -4.960 1.00 1.00 H new ATOM 454 N LYS A 32 -3.217 -2.031 -3.952 1.00 61.15 N ATOM 455 CA LYS A 32 -2.132 -1.104 -3.652 1.00 33.22 C ATOM 456 C LYS A 32 -0.776 -1.747 -3.923 1.00 30.41 C ATOM 457 O LYS A 32 -0.016 -2.031 -2.997 1.00 2.40 O ATOM 458 CB LYS A 32 -2.211 -0.651 -2.192 1.00 71.02 C ATOM 459 CG LYS A 32 -3.592 -0.174 -1.777 1.00 31.30 C ATOM 460 CD LYS A 32 -4.030 1.037 -2.584 1.00 20.52 C ATOM 461 CE LYS A 32 -3.101 2.220 -2.361 1.00 53.30 C ATOM 462 NZ LYS A 32 -3.638 3.469 -2.969 1.00 75.13 N ATOM 0 H LYS A 32 -3.662 -2.440 -3.130 1.00 61.15 H new ATOM 0 HA LYS A 32 -2.239 -0.236 -4.302 1.00 33.22 H new ATOM 0 HB2 LYS A 32 -1.912 -1.478 -1.547 1.00 71.02 H new ATOM 0 HB3 LYS A 32 -1.494 0.154 -2.031 1.00 71.02 H new ATOM 0 HG2 LYS A 32 -4.312 -0.981 -1.911 1.00 31.30 H new ATOM 0 HG3 LYS A 32 -3.588 0.077 -0.716 1.00 31.30 H new ATOM 0 HD2 LYS A 32 -4.049 0.782 -3.644 1.00 20.52 H new ATOM 0 HD3 LYS A 32 -5.047 1.314 -2.305 1.00 20.52 H new ATOM 0 HE2 LYS A 32 -2.955 2.370 -1.291 1.00 53.30 H new ATOM 0 HE3 LYS A 32 -2.123 1.999 -2.788 1.00 53.30 H new ATOM 0 HZ1 LYS A 32 -2.976 4.252 -2.795 1.00 75.13 H new ATOM 0 HZ2 LYS A 32 -3.754 3.334 -3.994 1.00 75.13 H new ATOM 0 HZ3 LYS A 32 -4.560 3.694 -2.543 1.00 75.13 H new ATOM 476 N VAL A 33 -0.478 -1.974 -5.198 1.00 71.24 N ATOM 477 CA VAL A 33 0.788 -2.581 -5.591 1.00 71.54 C ATOM 478 C VAL A 33 1.369 -1.894 -6.822 1.00 13.32 C ATOM 479 O VAL A 33 0.694 -1.749 -7.841 1.00 53.41 O ATOM 480 CB VAL A 33 0.622 -4.084 -5.887 1.00 51.10 C ATOM 481 CG1 VAL A 33 -0.413 -4.302 -6.980 1.00 63.05 C ATOM 482 CG2 VAL A 33 1.957 -4.701 -6.274 1.00 62.04 C ATOM 0 H VAL A 33 -1.096 -1.747 -5.977 1.00 71.24 H new ATOM 0 HA VAL A 33 1.472 -2.456 -4.752 1.00 71.54 H new ATOM 0 HB VAL A 33 0.268 -4.578 -4.982 1.00 51.10 H new ATOM 0 HG11 VAL A 33 -0.517 -5.369 -7.175 1.00 63.05 H new ATOM 0 HG12 VAL A 33 -1.373 -3.897 -6.658 1.00 63.05 H new ATOM 0 HG13 VAL A 33 -0.093 -3.796 -7.891 1.00 63.05 H new ATOM 0 HG21 VAL A 33 1.821 -5.763 -6.480 1.00 62.04 H new ATOM 0 HG22 VAL A 33 2.342 -4.205 -7.165 1.00 62.04 H new ATOM 0 HG23 VAL A 33 2.666 -4.578 -5.455 1.00 62.04 H new ATOM 492 N ASP A 34 2.624 -1.473 -6.720 1.00 4.53 N ATOM 493 CA ASP A 34 3.298 -0.801 -7.825 1.00 51.11 C ATOM 494 C ASP A 34 4.269 -1.747 -8.525 1.00 55.13 C ATOM 495 O ASP A 34 4.644 -2.784 -7.977 1.00 53.15 O ATOM 496 CB ASP A 34 4.045 0.434 -7.320 1.00 41.42 C ATOM 497 CG ASP A 34 3.172 1.674 -7.306 1.00 71.41 C ATOM 498 OD1 ASP A 34 2.918 2.234 -8.393 1.00 64.34 O ATOM 499 OD2 ASP A 34 2.741 2.083 -6.208 1.00 22.11 O ATOM 0 H ASP A 34 3.196 -1.585 -5.883 1.00 4.53 H new ATOM 0 HA ASP A 34 2.541 -0.489 -8.544 1.00 51.11 H new ATOM 0 HB2 ASP A 34 4.417 0.244 -6.313 1.00 41.42 H new ATOM 0 HB3 ASP A 34 4.915 0.613 -7.952 1.00 41.42 H new ATOM 504 N ILE A 35 4.670 -1.383 -9.738 1.00 51.25 N ATOM 505 CA ILE A 35 5.596 -2.199 -10.513 1.00 25.10 C ATOM 506 C ILE A 35 6.853 -1.413 -10.873 1.00 33.21 C ATOM 507 O ILE A 35 6.811 -0.193 -11.031 1.00 5.11 O ATOM 508 CB ILE A 35 4.942 -2.720 -11.806 1.00 42.13 C ATOM 509 CG1 ILE A 35 3.577 -3.338 -11.500 1.00 33.44 C ATOM 510 CG2 ILE A 35 5.849 -3.735 -12.487 1.00 14.41 C ATOM 511 CD1 ILE A 35 2.830 -3.795 -12.733 1.00 75.00 C ATOM 0 H ILE A 35 4.368 -0.528 -10.205 1.00 51.25 H new ATOM 0 HA ILE A 35 5.868 -3.048 -9.886 1.00 25.10 H new ATOM 0 HB ILE A 35 4.795 -1.880 -12.485 1.00 42.13 H new ATOM 0 HG12 ILE A 35 3.714 -4.188 -10.832 1.00 33.44 H new ATOM 0 HG13 ILE A 35 2.968 -2.608 -10.966 1.00 33.44 H new ATOM 0 HG21 ILE A 35 5.373 -4.094 -13.399 1.00 14.41 H new ATOM 0 HG22 ILE A 35 6.800 -3.264 -12.735 1.00 14.41 H new ATOM 0 HG23 ILE A 35 6.024 -4.575 -11.815 1.00 14.41 H new ATOM 0 HD11 ILE A 35 1.871 -4.223 -12.440 1.00 75.00 H new ATOM 0 HD12 ILE A 35 2.661 -2.944 -13.393 1.00 75.00 H new ATOM 0 HD13 ILE A 35 3.418 -4.549 -13.256 1.00 75.00 H new ATOM 523 N LYS A 36 7.970 -2.121 -11.003 1.00 33.00 N ATOM 524 CA LYS A 36 9.239 -1.492 -11.348 1.00 0.23 C ATOM 525 C LYS A 36 10.126 -2.452 -12.134 1.00 41.54 C ATOM 526 O LYS A 36 10.119 -3.658 -11.891 1.00 13.34 O ATOM 527 CB LYS A 36 9.965 -1.032 -10.081 1.00 75.11 C ATOM 528 CG LYS A 36 10.596 0.344 -10.207 1.00 74.30 C ATOM 529 CD LYS A 36 11.685 0.555 -9.169 1.00 34.24 C ATOM 530 CE LYS A 36 11.099 0.751 -7.779 1.00 31.14 C ATOM 531 NZ LYS A 36 10.165 1.910 -7.729 1.00 30.23 N ATOM 0 H LYS A 36 8.022 -3.132 -10.874 1.00 33.00 H new ATOM 0 HA LYS A 36 9.028 -0.625 -11.974 1.00 0.23 H new ATOM 0 HB2 LYS A 36 9.259 -1.024 -9.250 1.00 75.11 H new ATOM 0 HB3 LYS A 36 10.741 -1.757 -9.833 1.00 75.11 H new ATOM 0 HG2 LYS A 36 11.016 0.463 -11.206 1.00 74.30 H new ATOM 0 HG3 LYS A 36 9.828 1.109 -10.091 1.00 74.30 H new ATOM 0 HD2 LYS A 36 12.356 -0.304 -9.164 1.00 34.24 H new ATOM 0 HD3 LYS A 36 12.283 1.425 -9.439 1.00 34.24 H new ATOM 0 HE2 LYS A 36 10.572 -0.154 -7.476 1.00 31.14 H new ATOM 0 HE3 LYS A 36 11.906 0.904 -7.063 1.00 31.14 H new ATOM 0 HZ1 LYS A 36 9.906 2.105 -6.741 1.00 30.23 H new ATOM 0 HZ2 LYS A 36 10.628 2.747 -8.137 1.00 30.23 H new ATOM 0 HZ3 LYS A 36 9.308 1.689 -8.274 1.00 30.23 H new ATOM 545 N GLN A 37 10.889 -1.907 -13.077 1.00 21.23 N ATOM 546 CA GLN A 37 11.782 -2.716 -13.898 1.00 20.33 C ATOM 547 C GLN A 37 13.239 -2.336 -13.655 1.00 31.34 C ATOM 548 O GLN A 37 13.633 -1.188 -13.859 1.00 41.31 O ATOM 549 CB GLN A 37 11.439 -2.549 -15.379 1.00 2.50 C ATOM 550 CG GLN A 37 9.948 -2.612 -15.669 1.00 43.33 C ATOM 551 CD GLN A 37 9.361 -3.985 -15.410 1.00 60.03 C ATOM 552 OE1 GLN A 37 8.699 -4.209 -14.397 1.00 15.53 O ATOM 553 NE2 GLN A 37 9.601 -4.914 -16.328 1.00 30.51 N ATOM 0 H GLN A 37 10.906 -0.910 -13.291 1.00 21.23 H new ATOM 0 HA GLN A 37 11.646 -3.760 -13.617 1.00 20.33 H new ATOM 0 HB2 GLN A 37 11.828 -1.593 -15.728 1.00 2.50 H new ATOM 0 HB3 GLN A 37 11.945 -3.327 -15.951 1.00 2.50 H new ATOM 0 HG2 GLN A 37 9.430 -1.877 -15.052 1.00 43.33 H new ATOM 0 HG3 GLN A 37 9.772 -2.336 -16.709 1.00 43.33 H new ATOM 0 HE21 GLN A 37 10.155 -4.685 -17.153 1.00 30.51 H new ATOM 0 HE22 GLN A 37 9.231 -5.857 -16.208 1.00 30.51 H new ATOM 562 N ILE A 38 14.033 -3.307 -13.217 1.00 64.32 N ATOM 563 CA ILE A 38 15.447 -3.074 -12.947 1.00 54.11 C ATOM 564 C ILE A 38 16.290 -4.279 -13.350 1.00 54.03 C ATOM 565 O ILE A 38 15.763 -5.297 -13.799 1.00 32.41 O ATOM 566 CB ILE A 38 15.692 -2.765 -11.458 1.00 72.13 C ATOM 567 CG1 ILE A 38 15.753 -4.062 -10.649 1.00 71.43 C ATOM 568 CG2 ILE A 38 14.602 -1.850 -10.921 1.00 32.03 C ATOM 569 CD1 ILE A 38 14.517 -4.923 -10.793 1.00 11.44 C ATOM 0 H ILE A 38 13.722 -4.262 -13.041 1.00 64.32 H new ATOM 0 HA ILE A 38 15.744 -2.211 -13.543 1.00 54.11 H new ATOM 0 HB ILE A 38 16.649 -2.253 -11.361 1.00 72.13 H new ATOM 0 HG12 ILE A 38 16.625 -4.636 -10.963 1.00 71.43 H new ATOM 0 HG13 ILE A 38 15.895 -3.818 -9.596 1.00 71.43 H new ATOM 0 HG21 ILE A 38 14.789 -1.641 -9.868 1.00 32.03 H new ATOM 0 HG22 ILE A 38 14.602 -0.916 -11.482 1.00 32.03 H new ATOM 0 HG23 ILE A 38 13.633 -2.337 -11.028 1.00 32.03 H new ATOM 0 HD11 ILE A 38 14.630 -5.825 -10.192 1.00 11.44 H new ATOM 0 HD12 ILE A 38 13.644 -4.367 -10.451 1.00 11.44 H new ATOM 0 HD13 ILE A 38 14.385 -5.198 -11.839 1.00 11.44 H new ATOM 581 N LYS A 39 17.602 -4.157 -13.186 1.00 65.21 N ATOM 582 CA LYS A 39 18.520 -5.237 -13.529 1.00 44.24 C ATOM 583 C LYS A 39 18.901 -6.042 -12.291 1.00 75.32 C ATOM 584 O LYS A 39 18.656 -5.615 -11.162 1.00 75.35 O ATOM 585 CB LYS A 39 19.780 -4.672 -14.190 1.00 61.10 C ATOM 586 CG LYS A 39 20.084 -5.287 -15.545 1.00 51.13 C ATOM 587 CD LYS A 39 21.241 -4.581 -16.231 1.00 44.21 C ATOM 588 CE LYS A 39 22.020 -5.530 -17.129 1.00 1.10 C ATOM 589 NZ LYS A 39 23.087 -6.251 -16.381 1.00 34.51 N ATOM 0 H LYS A 39 18.054 -3.320 -12.817 1.00 65.21 H new ATOM 0 HA LYS A 39 18.014 -5.900 -14.231 1.00 44.24 H new ATOM 0 HB2 LYS A 39 19.667 -3.594 -14.307 1.00 61.10 H new ATOM 0 HB3 LYS A 39 20.631 -4.833 -13.528 1.00 61.10 H new ATOM 0 HG2 LYS A 39 20.323 -6.343 -15.421 1.00 51.13 H new ATOM 0 HG3 LYS A 39 19.198 -5.233 -16.177 1.00 51.13 H new ATOM 0 HD2 LYS A 39 20.861 -3.748 -16.823 1.00 44.21 H new ATOM 0 HD3 LYS A 39 21.908 -4.160 -15.479 1.00 44.21 H new ATOM 0 HE2 LYS A 39 21.336 -6.253 -17.573 1.00 1.10 H new ATOM 0 HE3 LYS A 39 22.467 -4.969 -17.949 1.00 1.10 H new ATOM 0 HZ1 LYS A 39 23.595 -6.888 -17.028 1.00 34.51 H new ATOM 0 HZ2 LYS A 39 23.754 -5.563 -15.978 1.00 34.51 H new ATOM 0 HZ3 LYS A 39 22.658 -6.807 -15.614 1.00 34.51 H new ATOM 603 N ILE A 40 19.501 -7.207 -12.510 1.00 71.21 N ATOM 604 CA ILE A 40 19.917 -8.070 -11.411 1.00 72.04 C ATOM 605 C ILE A 40 20.852 -7.334 -10.458 1.00 64.12 C ATOM 606 O ILE A 40 20.907 -7.637 -9.266 1.00 23.41 O ATOM 607 CB ILE A 40 20.622 -9.338 -11.927 1.00 72.44 C ATOM 608 CG1 ILE A 40 19.597 -10.324 -12.493 1.00 51.40 C ATOM 609 CG2 ILE A 40 21.429 -9.987 -10.812 1.00 55.33 C ATOM 610 CD1 ILE A 40 19.015 -9.894 -13.821 1.00 54.33 C ATOM 0 H ILE A 40 19.710 -7.575 -13.438 1.00 71.21 H new ATOM 0 HA ILE A 40 19.012 -8.359 -10.877 1.00 72.04 H new ATOM 0 HB ILE A 40 21.306 -9.055 -12.727 1.00 72.44 H new ATOM 0 HG12 ILE A 40 20.070 -11.299 -12.611 1.00 51.40 H new ATOM 0 HG13 ILE A 40 18.788 -10.447 -11.773 1.00 51.40 H new ATOM 0 HG21 ILE A 40 21.921 -10.882 -11.193 1.00 55.33 H new ATOM 0 HG22 ILE A 40 22.181 -9.285 -10.451 1.00 55.33 H new ATOM 0 HG23 ILE A 40 20.764 -10.259 -9.993 1.00 55.33 H new ATOM 0 HD11 ILE A 40 18.297 -10.640 -14.162 1.00 54.33 H new ATOM 0 HD12 ILE A 40 18.513 -8.933 -13.704 1.00 54.33 H new ATOM 0 HD13 ILE A 40 19.815 -9.799 -14.555 1.00 54.33 H new ATOM 622 N THR A 41 21.587 -6.363 -10.991 1.00 40.42 N ATOM 623 CA THR A 41 22.520 -5.582 -10.189 1.00 1.02 C ATOM 624 C THR A 41 21.800 -4.468 -9.437 1.00 25.33 C ATOM 625 O THR A 41 22.246 -4.037 -8.374 1.00 34.34 O ATOM 626 CB THR A 41 23.630 -4.964 -11.060 1.00 53.31 C ATOM 627 OG1 THR A 41 24.475 -4.131 -10.259 1.00 12.52 O ATOM 628 CG2 THR A 41 23.033 -4.147 -12.196 1.00 44.52 C ATOM 0 H THR A 41 21.554 -6.099 -11.976 1.00 40.42 H new ATOM 0 HA THR A 41 22.971 -6.268 -9.472 1.00 1.02 H new ATOM 0 HB THR A 41 24.220 -5.775 -11.487 1.00 53.31 H new ATOM 0 HG1 THR A 41 25.179 -3.743 -10.820 1.00 12.52 H new ATOM 0 HG21 THR A 41 23.835 -3.720 -12.798 1.00 44.52 H new ATOM 0 HG22 THR A 41 22.414 -4.791 -12.821 1.00 44.52 H new ATOM 0 HG23 THR A 41 22.422 -3.344 -11.784 1.00 44.52 H new ATOM 636 N GLU A 42 20.686 -4.007 -9.996 1.00 32.44 N ATOM 637 CA GLU A 42 19.905 -2.943 -9.376 1.00 20.10 C ATOM 638 C GLU A 42 19.018 -3.496 -8.264 1.00 52.32 C ATOM 639 O GLU A 42 18.624 -2.771 -7.351 1.00 12.54 O ATOM 640 CB GLU A 42 19.045 -2.234 -10.425 1.00 24.24 C ATOM 641 CG GLU A 42 19.847 -1.383 -11.395 1.00 3.24 C ATOM 642 CD GLU A 42 18.999 -0.826 -12.521 1.00 53.12 C ATOM 643 OE1 GLU A 42 18.057 -0.059 -12.230 1.00 40.23 O ATOM 644 OE2 GLU A 42 19.276 -1.157 -13.693 1.00 12.01 O ATOM 0 H GLU A 42 20.304 -4.353 -10.876 1.00 32.44 H new ATOM 0 HA GLU A 42 20.599 -2.225 -8.940 1.00 20.10 H new ATOM 0 HB2 GLU A 42 18.484 -2.980 -10.988 1.00 24.24 H new ATOM 0 HB3 GLU A 42 18.316 -1.602 -9.918 1.00 24.24 H new ATOM 0 HG2 GLU A 42 20.310 -0.559 -10.852 1.00 3.24 H new ATOM 0 HG3 GLU A 42 20.655 -1.982 -11.816 1.00 3.24 H new ATOM 651 N VAL A 43 18.707 -4.785 -8.349 1.00 75.23 N ATOM 652 CA VAL A 43 17.867 -5.436 -7.351 1.00 75.42 C ATOM 653 C VAL A 43 18.582 -5.532 -6.009 1.00 24.54 C ATOM 654 O VAL A 43 17.949 -5.685 -4.965 1.00 50.40 O ATOM 655 CB VAL A 43 17.452 -6.850 -7.802 1.00 44.21 C ATOM 656 CG1 VAL A 43 18.586 -7.838 -7.571 1.00 52.43 C ATOM 657 CG2 VAL A 43 16.192 -7.293 -7.075 1.00 12.44 C ATOM 0 H VAL A 43 19.024 -5.399 -9.099 1.00 75.23 H new ATOM 0 HA VAL A 43 16.974 -4.821 -7.240 1.00 75.42 H new ATOM 0 HB VAL A 43 17.237 -6.823 -8.870 1.00 44.21 H new ATOM 0 HG11 VAL A 43 18.275 -8.831 -7.895 1.00 52.43 H new ATOM 0 HG12 VAL A 43 19.461 -7.527 -8.142 1.00 52.43 H new ATOM 0 HG13 VAL A 43 18.835 -7.864 -6.510 1.00 52.43 H new ATOM 0 HG21 VAL A 43 15.914 -8.294 -7.406 1.00 12.44 H new ATOM 0 HG22 VAL A 43 16.377 -7.304 -6.001 1.00 12.44 H new ATOM 0 HG23 VAL A 43 15.381 -6.599 -7.296 1.00 12.44 H new ATOM 667 N GLY A 44 19.909 -5.442 -6.043 1.00 55.02 N ATOM 668 CA GLY A 44 20.689 -5.520 -4.823 1.00 25.44 C ATOM 669 C GLY A 44 20.156 -4.611 -3.733 1.00 73.34 C ATOM 670 O GLY A 44 19.654 -5.067 -2.706 1.00 13.24 O ATOM 0 H GLY A 44 20.457 -5.316 -6.894 1.00 55.02 H new ATOM 0 HA2 GLY A 44 20.693 -6.549 -4.464 1.00 25.44 H new ATOM 0 HA3 GLY A 44 21.724 -5.254 -5.040 1.00 25.44 H new ATOM 674 N PRO A 45 20.263 -3.292 -3.953 1.00 22.44 N ATOM 675 CA PRO A 45 19.794 -2.289 -2.992 1.00 72.51 C ATOM 676 C PRO A 45 18.273 -2.248 -2.894 1.00 33.44 C ATOM 677 O PRO A 45 17.718 -1.757 -1.911 1.00 14.43 O ATOM 678 CB PRO A 45 20.328 -0.974 -3.563 1.00 43.23 C ATOM 679 CG PRO A 45 20.478 -1.228 -5.024 1.00 0.14 C ATOM 680 CD PRO A 45 20.851 -2.679 -5.155 1.00 53.34 C ATOM 0 HA PRO A 45 20.139 -2.501 -1.980 1.00 72.51 H new ATOM 0 HB2 PRO A 45 19.639 -0.151 -3.373 1.00 43.23 H new ATOM 0 HB3 PRO A 45 21.281 -0.703 -3.108 1.00 43.23 H new ATOM 0 HG2 PRO A 45 19.550 -1.014 -5.555 1.00 0.14 H new ATOM 0 HG3 PRO A 45 21.247 -0.587 -5.455 1.00 0.14 H new ATOM 0 HD2 PRO A 45 20.447 -3.117 -6.068 1.00 53.34 H new ATOM 0 HD3 PRO A 45 21.932 -2.815 -5.187 1.00 53.34 H new ATOM 688 N TYR A 46 17.604 -2.768 -3.917 1.00 21.10 N ATOM 689 CA TYR A 46 16.146 -2.789 -3.946 1.00 45.22 C ATOM 690 C TYR A 46 15.609 -4.104 -3.391 1.00 61.40 C ATOM 691 O TYR A 46 14.591 -4.617 -3.856 1.00 4.53 O ATOM 692 CB TYR A 46 15.641 -2.581 -5.375 1.00 21.01 C ATOM 693 CG TYR A 46 15.815 -1.166 -5.879 1.00 64.30 C ATOM 694 CD1 TYR A 46 15.453 -0.079 -5.094 1.00 14.40 C ATOM 695 CD2 TYR A 46 16.342 -0.917 -7.140 1.00 53.04 C ATOM 696 CE1 TYR A 46 15.609 1.216 -5.551 1.00 24.24 C ATOM 697 CE2 TYR A 46 16.503 0.374 -7.605 1.00 4.05 C ATOM 698 CZ TYR A 46 16.136 1.437 -6.806 1.00 74.12 C ATOM 699 OH TYR A 46 16.294 2.724 -7.266 1.00 12.45 O ATOM 0 H TYR A 46 18.048 -3.181 -4.737 1.00 21.10 H new ATOM 0 HA TYR A 46 15.783 -1.976 -3.317 1.00 45.22 H new ATOM 0 HB2 TYR A 46 16.170 -3.263 -6.041 1.00 21.01 H new ATOM 0 HB3 TYR A 46 14.585 -2.847 -5.420 1.00 21.01 H new ATOM 0 HD1 TYR A 46 15.043 -0.249 -4.110 1.00 14.40 H new ATOM 0 HD2 TYR A 46 16.631 -1.747 -7.768 1.00 53.04 H new ATOM 0 HE1 TYR A 46 15.320 2.050 -4.929 1.00 24.24 H new ATOM 0 HE2 TYR A 46 16.914 0.550 -8.588 1.00 4.05 H new ATOM 0 HH TYR A 46 16.679 2.704 -8.167 1.00 12.45 H new ATOM 709 N GLU A 47 16.301 -4.645 -2.393 1.00 45.21 N ATOM 710 CA GLU A 47 15.894 -5.901 -1.774 1.00 44.30 C ATOM 711 C GLU A 47 15.112 -5.645 -0.489 1.00 74.42 C ATOM 712 O GLU A 47 13.960 -6.059 -0.359 1.00 35.40 O ATOM 713 CB GLU A 47 17.119 -6.768 -1.474 1.00 50.23 C ATOM 714 CG GLU A 47 17.505 -7.692 -2.617 1.00 41.42 C ATOM 715 CD GLU A 47 19.006 -7.867 -2.744 1.00 30.12 C ATOM 716 OE1 GLU A 47 19.457 -8.369 -3.794 1.00 63.55 O ATOM 717 OE2 GLU A 47 19.729 -7.503 -1.793 1.00 52.11 O ATOM 0 H GLU A 47 17.146 -4.233 -1.996 1.00 45.21 H new ATOM 0 HA GLU A 47 15.247 -6.429 -2.474 1.00 44.30 H new ATOM 0 HB2 GLU A 47 17.964 -6.120 -1.240 1.00 50.23 H new ATOM 0 HB3 GLU A 47 16.921 -7.367 -0.585 1.00 50.23 H new ATOM 0 HG2 GLU A 47 17.041 -8.666 -2.464 1.00 41.42 H new ATOM 0 HG3 GLU A 47 17.109 -7.293 -3.551 1.00 41.42 H new ATOM 724 N ASP A 48 15.746 -4.962 0.457 1.00 52.42 N ATOM 725 CA ASP A 48 15.110 -4.650 1.732 1.00 72.14 C ATOM 726 C ASP A 48 13.944 -3.686 1.536 1.00 2.40 C ATOM 727 O ASP A 48 12.833 -3.933 2.006 1.00 22.04 O ATOM 728 CB ASP A 48 16.129 -4.048 2.701 1.00 72.35 C ATOM 729 CG ASP A 48 15.650 -4.082 4.139 1.00 40.34 C ATOM 730 OD1 ASP A 48 16.424 -4.527 5.012 1.00 61.21 O ATOM 731 OD2 ASP A 48 14.502 -3.662 4.391 1.00 14.31 O ATOM 0 H ASP A 48 16.700 -4.613 0.365 1.00 52.42 H new ATOM 0 HA ASP A 48 14.724 -5.578 2.154 1.00 72.14 H new ATOM 0 HB2 ASP A 48 17.069 -4.594 2.621 1.00 72.35 H new ATOM 0 HB3 ASP A 48 16.334 -3.017 2.414 1.00 72.35 H new ATOM 736 N THR A 49 14.205 -2.584 0.839 1.00 12.33 N ATOM 737 CA THR A 49 13.179 -1.581 0.583 1.00 12.34 C ATOM 738 C THR A 49 11.941 -2.209 -0.048 1.00 5.31 C ATOM 739 O THR A 49 10.829 -2.053 0.456 1.00 64.14 O ATOM 740 CB THR A 49 13.702 -0.465 -0.340 1.00 42.33 C ATOM 741 OG1 THR A 49 14.080 -1.014 -1.607 1.00 64.52 O ATOM 742 CG2 THR A 49 14.894 0.243 0.287 1.00 33.23 C ATOM 0 H THR A 49 15.118 -2.364 0.442 1.00 12.33 H new ATOM 0 HA THR A 49 12.912 -1.149 1.547 1.00 12.34 H new ATOM 0 HB THR A 49 12.902 0.262 -0.483 1.00 42.33 H new ATOM 0 HG1 THR A 49 14.410 -0.298 -2.189 1.00 64.52 H new ATOM 0 HG21 THR A 49 15.246 1.027 -0.384 1.00 33.23 H new ATOM 0 HG22 THR A 49 14.596 0.685 1.237 1.00 33.23 H new ATOM 0 HG23 THR A 49 15.696 -0.476 0.457 1.00 33.23 H new ATOM 750 N ALA A 50 12.142 -2.919 -1.153 1.00 25.21 N ATOM 751 CA ALA A 50 11.043 -3.573 -1.851 1.00 72.12 C ATOM 752 C ALA A 50 10.431 -4.679 -0.998 1.00 61.22 C ATOM 753 O ALA A 50 11.014 -5.100 0.001 1.00 64.10 O ATOM 754 CB ALA A 50 11.522 -4.134 -3.182 1.00 31.10 C ATOM 0 H ALA A 50 13.056 -3.056 -1.584 1.00 25.21 H new ATOM 0 HA ALA A 50 10.271 -2.827 -2.040 1.00 72.12 H new ATOM 0 HB1 ALA A 50 10.690 -4.620 -3.693 1.00 31.10 H new ATOM 0 HB2 ALA A 50 11.905 -3.323 -3.802 1.00 31.10 H new ATOM 0 HB3 ALA A 50 12.315 -4.861 -3.006 1.00 31.10 H new ATOM 760 N ASP A 51 9.253 -5.145 -1.398 1.00 62.31 N ATOM 761 CA ASP A 51 8.562 -6.203 -0.670 1.00 63.30 C ATOM 762 C ASP A 51 8.557 -7.501 -1.472 1.00 51.23 C ATOM 763 O ASP A 51 8.905 -8.564 -0.956 1.00 54.22 O ATOM 764 CB ASP A 51 7.128 -5.780 -0.352 1.00 15.21 C ATOM 765 CG ASP A 51 7.023 -5.027 0.960 1.00 23.41 C ATOM 766 OD1 ASP A 51 8.005 -4.354 1.337 1.00 53.53 O ATOM 767 OD2 ASP A 51 5.961 -5.113 1.611 1.00 73.11 O ATOM 0 H ASP A 51 8.757 -4.807 -2.222 1.00 62.31 H new ATOM 0 HA ASP A 51 9.097 -6.376 0.264 1.00 63.30 H new ATOM 0 HB2 ASP A 51 6.750 -5.152 -1.159 1.00 15.21 H new ATOM 0 HB3 ASP A 51 6.492 -6.664 -0.312 1.00 15.21 H new ATOM 772 N LEU A 52 8.159 -7.407 -2.736 1.00 43.03 N ATOM 773 CA LEU A 52 8.107 -8.574 -3.611 1.00 3.44 C ATOM 774 C LEU A 52 9.056 -8.410 -4.794 1.00 22.33 C ATOM 775 O LEU A 52 9.318 -7.294 -5.244 1.00 74.01 O ATOM 776 CB LEU A 52 6.680 -8.795 -4.114 1.00 31.22 C ATOM 777 CG LEU A 52 6.124 -10.211 -3.954 1.00 41.34 C ATOM 778 CD1 LEU A 52 6.902 -11.190 -4.820 1.00 30.14 C ATOM 779 CD2 LEU A 52 6.164 -10.638 -2.494 1.00 54.04 C ATOM 0 H LEU A 52 7.868 -6.535 -3.178 1.00 43.03 H new ATOM 0 HA LEU A 52 8.421 -9.444 -3.035 1.00 3.44 H new ATOM 0 HB2 LEU A 52 6.020 -8.105 -3.588 1.00 31.22 H new ATOM 0 HB3 LEU A 52 6.643 -8.529 -5.170 1.00 31.22 H new ATOM 0 HG LEU A 52 5.085 -10.213 -4.283 1.00 41.34 H new ATOM 0 HD11 LEU A 52 6.493 -12.192 -4.694 1.00 30.14 H new ATOM 0 HD12 LEU A 52 6.821 -10.894 -5.866 1.00 30.14 H new ATOM 0 HD13 LEU A 52 7.950 -11.186 -4.522 1.00 30.14 H new ATOM 0 HD21 LEU A 52 5.765 -11.648 -2.399 1.00 54.04 H new ATOM 0 HD22 LEU A 52 7.194 -10.620 -2.138 1.00 54.04 H new ATOM 0 HD23 LEU A 52 5.562 -9.952 -1.898 1.00 54.04 H new ATOM 791 N LEU A 53 9.567 -9.530 -5.294 1.00 44.41 N ATOM 792 CA LEU A 53 10.486 -9.511 -6.427 1.00 71.43 C ATOM 793 C LEU A 53 10.190 -10.660 -7.387 1.00 12.42 C ATOM 794 O LEU A 53 9.787 -11.745 -6.968 1.00 10.34 O ATOM 795 CB LEU A 53 11.933 -9.601 -5.938 1.00 55.30 C ATOM 796 CG LEU A 53 13.001 -9.738 -7.023 1.00 51.33 C ATOM 797 CD1 LEU A 53 13.218 -8.408 -7.729 1.00 63.32 C ATOM 798 CD2 LEU A 53 14.305 -10.246 -6.427 1.00 21.43 C ATOM 0 H LEU A 53 9.361 -10.462 -4.933 1.00 44.41 H new ATOM 0 HA LEU A 53 10.347 -8.570 -6.960 1.00 71.43 H new ATOM 0 HB2 LEU A 53 12.153 -8.710 -5.350 1.00 55.30 H new ATOM 0 HB3 LEU A 53 12.016 -10.455 -5.265 1.00 55.30 H new ATOM 0 HG LEU A 53 12.654 -10.464 -7.758 1.00 51.33 H new ATOM 0 HD11 LEU A 53 13.982 -8.525 -8.498 1.00 63.32 H new ATOM 0 HD12 LEU A 53 12.285 -8.084 -8.190 1.00 63.32 H new ATOM 0 HD13 LEU A 53 13.543 -7.661 -7.005 1.00 63.32 H new ATOM 0 HD21 LEU A 53 15.054 -10.337 -7.214 1.00 21.43 H new ATOM 0 HD22 LEU A 53 14.657 -9.544 -5.671 1.00 21.43 H new ATOM 0 HD23 LEU A 53 14.140 -11.221 -5.968 1.00 21.43 H new ATOM 810 N VAL A 54 10.394 -10.414 -8.677 1.00 42.50 N ATOM 811 CA VAL A 54 10.153 -11.428 -9.696 1.00 55.43 C ATOM 812 C VAL A 54 11.262 -11.431 -10.742 1.00 53.12 C ATOM 813 O VAL A 54 11.515 -10.420 -11.398 1.00 63.04 O ATOM 814 CB VAL A 54 8.800 -11.206 -10.399 1.00 40.21 C ATOM 815 CG1 VAL A 54 8.581 -12.254 -11.479 1.00 31.40 C ATOM 816 CG2 VAL A 54 7.665 -11.226 -9.387 1.00 14.31 C ATOM 0 H VAL A 54 10.726 -9.521 -9.041 1.00 42.50 H new ATOM 0 HA VAL A 54 10.136 -12.391 -9.186 1.00 55.43 H new ATOM 0 HB VAL A 54 8.814 -10.226 -10.876 1.00 40.21 H new ATOM 0 HG11 VAL A 54 7.620 -12.081 -11.964 1.00 31.40 H new ATOM 0 HG12 VAL A 54 9.379 -12.186 -12.219 1.00 31.40 H new ATOM 0 HG13 VAL A 54 8.587 -13.247 -11.029 1.00 31.40 H new ATOM 0 HG21 VAL A 54 6.717 -11.068 -9.901 1.00 14.31 H new ATOM 0 HG22 VAL A 54 7.646 -12.191 -8.880 1.00 14.31 H new ATOM 0 HG23 VAL A 54 7.817 -10.434 -8.654 1.00 14.31 H new ATOM 826 N THR A 55 11.921 -12.575 -10.894 1.00 24.21 N ATOM 827 CA THR A 55 13.004 -12.711 -11.860 1.00 4.24 C ATOM 828 C THR A 55 13.098 -14.139 -12.384 1.00 72.11 C ATOM 829 O THR A 55 12.800 -15.096 -11.668 1.00 1.20 O ATOM 830 CB THR A 55 14.359 -12.312 -11.244 1.00 61.51 C ATOM 831 OG1 THR A 55 15.413 -12.548 -12.185 1.00 32.44 O ATOM 832 CG2 THR A 55 14.626 -13.098 -9.969 1.00 12.53 C ATOM 0 H THR A 55 11.724 -13.421 -10.360 1.00 24.21 H new ATOM 0 HA THR A 55 12.776 -12.038 -12.687 1.00 4.24 H new ATOM 0 HB THR A 55 14.323 -11.251 -10.997 1.00 61.51 H new ATOM 0 HG1 THR A 55 15.235 -12.047 -13.008 1.00 32.44 H new ATOM 0 HG21 THR A 55 15.588 -12.799 -9.552 1.00 12.53 H new ATOM 0 HG22 THR A 55 13.838 -12.895 -9.244 1.00 12.53 H new ATOM 0 HG23 THR A 55 14.644 -14.164 -10.196 1.00 12.53 H new ATOM 840 N THR A 56 13.514 -14.278 -13.639 1.00 52.22 N ATOM 841 CA THR A 56 13.646 -15.590 -14.260 1.00 1.21 C ATOM 842 C THR A 56 15.090 -16.077 -14.213 1.00 73.13 C ATOM 843 O THR A 56 15.568 -16.721 -15.146 1.00 74.45 O ATOM 844 CB THR A 56 13.170 -15.569 -15.725 1.00 3.32 C ATOM 845 OG1 THR A 56 14.126 -14.883 -16.541 1.00 4.55 O ATOM 846 CG2 THR A 56 11.814 -14.890 -15.844 1.00 3.54 C ATOM 0 H THR A 56 13.765 -13.497 -14.245 1.00 52.22 H new ATOM 0 HA THR A 56 13.016 -16.274 -13.691 1.00 1.21 H new ATOM 0 HB THR A 56 13.074 -16.599 -16.067 1.00 3.32 H new ATOM 0 HG1 THR A 56 13.817 -14.876 -17.471 1.00 4.55 H new ATOM 0 HG21 THR A 56 11.499 -14.887 -16.887 1.00 3.54 H new ATOM 0 HG22 THR A 56 11.082 -15.432 -15.245 1.00 3.54 H new ATOM 0 HG23 THR A 56 11.888 -13.864 -15.485 1.00 3.54 H new ATOM 854 N ALA A 57 15.779 -15.766 -13.121 1.00 5.22 N ATOM 855 CA ALA A 57 17.168 -16.175 -12.952 1.00 3.22 C ATOM 856 C ALA A 57 17.330 -17.082 -11.737 1.00 15.24 C ATOM 857 O ALA A 57 16.345 -17.495 -11.124 1.00 44.01 O ATOM 858 CB ALA A 57 18.066 -14.953 -12.824 1.00 64.31 C ATOM 0 H ALA A 57 15.398 -15.232 -12.340 1.00 5.22 H new ATOM 0 HA ALA A 57 17.464 -16.740 -13.836 1.00 3.22 H new ATOM 0 HB1 ALA A 57 19.100 -15.273 -12.698 1.00 64.31 H new ATOM 0 HB2 ALA A 57 17.982 -14.344 -13.724 1.00 64.31 H new ATOM 0 HB3 ALA A 57 17.760 -14.366 -11.958 1.00 64.31 H new ATOM 954 N TYR A 63 18.130 -14.017 -0.983 1.00 54.44 N ATOM 955 CA TYR A 63 17.013 -13.080 -1.039 1.00 64.21 C ATOM 956 C TYR A 63 16.256 -13.056 0.285 1.00 74.42 C ATOM 957 O TYR A 63 16.119 -14.080 0.955 1.00 63.32 O ATOM 958 CB TYR A 63 16.063 -13.455 -2.177 1.00 54.32 C ATOM 959 CG TYR A 63 16.665 -13.278 -3.553 1.00 1.24 C ATOM 960 CD1 TYR A 63 16.617 -14.302 -4.490 1.00 72.15 C ATOM 961 CD2 TYR A 63 17.283 -12.087 -3.914 1.00 65.42 C ATOM 962 CE1 TYR A 63 17.166 -14.145 -5.748 1.00 65.42 C ATOM 963 CE2 TYR A 63 17.834 -11.921 -5.170 1.00 25.40 C ATOM 964 CZ TYR A 63 17.774 -12.953 -6.083 1.00 73.23 C ATOM 965 OH TYR A 63 18.323 -12.792 -7.335 1.00 33.32 O ATOM 0 HA TYR A 63 17.415 -12.084 -1.224 1.00 64.21 H new ATOM 0 HB2 TYR A 63 15.756 -14.494 -2.055 1.00 54.32 H new ATOM 0 HB3 TYR A 63 15.162 -12.846 -2.103 1.00 54.32 H new ATOM 0 HD1 TYR A 63 16.142 -15.237 -4.231 1.00 72.15 H new ATOM 0 HD2 TYR A 63 17.333 -11.278 -3.201 1.00 65.42 H new ATOM 0 HE1 TYR A 63 17.119 -14.951 -6.465 1.00 65.42 H new ATOM 0 HE2 TYR A 63 18.309 -10.988 -5.435 1.00 25.40 H new ATOM 0 HH TYR A 63 18.710 -11.895 -7.409 1.00 33.32 H new ATOM 975 N LYS A 64 15.763 -11.879 0.656 1.00 62.51 N ATOM 976 CA LYS A 64 15.017 -11.719 1.898 1.00 33.21 C ATOM 977 C LYS A 64 13.517 -11.658 1.628 1.00 72.14 C ATOM 978 O LYS A 64 12.794 -10.883 2.254 1.00 40.30 O ATOM 979 CB LYS A 64 15.466 -10.451 2.627 1.00 23.13 C ATOM 980 CG LYS A 64 16.852 -10.560 3.239 1.00 22.22 C ATOM 981 CD LYS A 64 16.816 -11.281 4.577 1.00 42.35 C ATOM 982 CE LYS A 64 16.445 -10.336 5.709 1.00 50.40 C ATOM 983 NZ LYS A 64 14.972 -10.272 5.918 1.00 31.21 N ATOM 0 H LYS A 64 15.867 -11.022 0.113 1.00 62.51 H new ATOM 0 HA LYS A 64 15.220 -12.585 2.528 1.00 33.21 H new ATOM 0 HB2 LYS A 64 15.452 -9.615 1.927 1.00 23.13 H new ATOM 0 HB3 LYS A 64 14.748 -10.221 3.414 1.00 23.13 H new ATOM 0 HG2 LYS A 64 17.512 -11.093 2.555 1.00 22.22 H new ATOM 0 HG3 LYS A 64 17.271 -9.563 3.373 1.00 22.22 H new ATOM 0 HD2 LYS A 64 16.095 -12.098 4.532 1.00 42.35 H new ATOM 0 HD3 LYS A 64 17.790 -11.726 4.778 1.00 42.35 H new ATOM 0 HE2 LYS A 64 16.928 -10.664 6.629 1.00 50.40 H new ATOM 0 HE3 LYS A 64 16.824 -9.338 5.488 1.00 50.40 H new ATOM 0 HZ1 LYS A 64 14.769 -10.176 6.933 1.00 31.21 H new ATOM 0 HZ2 LYS A 64 14.584 -9.453 5.408 1.00 31.21 H new ATOM 0 HZ3 LYS A 64 14.532 -11.143 5.558 1.00 31.21 H new ATOM 997 N PHE A 65 13.055 -12.481 0.692 1.00 31.11 N ATOM 998 CA PHE A 65 11.640 -12.521 0.339 1.00 5.33 C ATOM 999 C PHE A 65 11.347 -13.686 -0.602 1.00 0.44 C ATOM 1000 O PHE A 65 12.232 -14.207 -1.280 1.00 43.43 O ATOM 1001 CB PHE A 65 11.219 -11.203 -0.315 1.00 22.31 C ATOM 1002 CG PHE A 65 12.250 -10.643 -1.253 1.00 21.14 C ATOM 1003 CD1 PHE A 65 12.840 -9.415 -1.001 1.00 40.11 C ATOM 1004 CD2 PHE A 65 12.629 -11.345 -2.386 1.00 11.51 C ATOM 1005 CE1 PHE A 65 13.789 -8.897 -1.862 1.00 4.42 C ATOM 1006 CE2 PHE A 65 13.578 -10.832 -3.250 1.00 11.51 C ATOM 1007 CZ PHE A 65 14.158 -9.606 -2.988 1.00 51.42 C ATOM 0 H PHE A 65 13.640 -13.129 0.164 1.00 31.11 H new ATOM 0 HA PHE A 65 11.066 -12.664 1.255 1.00 5.33 H new ATOM 0 HB2 PHE A 65 10.289 -11.359 -0.861 1.00 22.31 H new ATOM 0 HB3 PHE A 65 11.012 -10.470 0.464 1.00 22.31 H new ATOM 0 HD1 PHE A 65 12.555 -8.856 -0.122 1.00 40.11 H new ATOM 0 HD2 PHE A 65 12.178 -12.303 -2.596 1.00 11.51 H new ATOM 0 HE1 PHE A 65 14.242 -7.939 -1.654 1.00 4.42 H new ATOM 0 HE2 PHE A 65 13.866 -11.389 -4.129 1.00 11.51 H new ATOM 0 HZ PHE A 65 14.899 -9.203 -3.663 1.00 51.42 H new ATOM 1017 N PRO A 66 10.074 -14.105 -0.644 1.00 33.23 N ATOM 1018 CA PRO A 66 9.633 -15.213 -1.497 1.00 50.40 C ATOM 1019 C PRO A 66 9.666 -14.852 -2.978 1.00 52.32 C ATOM 1020 O PRO A 66 8.647 -14.476 -3.559 1.00 3.45 O ATOM 1021 CB PRO A 66 8.194 -15.462 -1.039 1.00 72.22 C ATOM 1022 CG PRO A 66 7.745 -14.159 -0.474 1.00 31.13 C ATOM 1023 CD PRO A 66 8.966 -13.530 0.138 1.00 22.42 C ATOM 0 HA PRO A 66 10.281 -16.084 -1.402 1.00 50.40 H new ATOM 0 HB2 PRO A 66 7.562 -15.771 -1.871 1.00 72.22 H new ATOM 0 HB3 PRO A 66 8.148 -16.254 -0.292 1.00 72.22 H new ATOM 0 HG2 PRO A 66 7.325 -13.521 -1.251 1.00 31.13 H new ATOM 0 HG3 PRO A 66 6.965 -14.306 0.273 1.00 31.13 H new ATOM 0 HD2 PRO A 66 8.940 -12.443 0.060 1.00 22.42 H new ATOM 0 HD3 PRO A 66 9.054 -13.771 1.197 1.00 22.42 H new ATOM 1031 N VAL A 67 10.843 -14.969 -3.585 1.00 55.13 N ATOM 1032 CA VAL A 67 11.007 -14.656 -5.000 1.00 24.42 C ATOM 1033 C VAL A 67 10.073 -15.498 -5.861 1.00 74.12 C ATOM 1034 O VAL A 67 9.881 -16.687 -5.607 1.00 34.52 O ATOM 1035 CB VAL A 67 12.459 -14.887 -5.460 1.00 60.41 C ATOM 1036 CG1 VAL A 67 12.601 -14.594 -6.946 1.00 4.12 C ATOM 1037 CG2 VAL A 67 13.418 -14.033 -4.645 1.00 63.22 C ATOM 0 H VAL A 67 11.696 -15.278 -3.119 1.00 55.13 H new ATOM 0 HA VAL A 67 10.757 -13.602 -5.123 1.00 24.42 H new ATOM 0 HB VAL A 67 12.712 -15.934 -5.295 1.00 60.41 H new ATOM 0 HG11 VAL A 67 13.633 -14.763 -7.253 1.00 4.12 H new ATOM 0 HG12 VAL A 67 11.942 -15.253 -7.511 1.00 4.12 H new ATOM 0 HG13 VAL A 67 12.330 -13.556 -7.140 1.00 4.12 H new ATOM 0 HG21 VAL A 67 14.439 -14.209 -4.983 1.00 63.22 H new ATOM 0 HG22 VAL A 67 13.169 -12.980 -4.776 1.00 63.22 H new ATOM 0 HG23 VAL A 67 13.335 -14.297 -3.591 1.00 63.22 H new ATOM 1047 N ILE A 68 9.494 -14.873 -6.881 1.00 62.33 N ATOM 1048 CA ILE A 68 8.581 -15.566 -7.782 1.00 15.44 C ATOM 1049 C ILE A 68 9.146 -15.629 -9.196 1.00 71.34 C ATOM 1050 O ILE A 68 9.192 -14.623 -9.903 1.00 71.50 O ATOM 1051 CB ILE A 68 7.202 -14.879 -7.822 1.00 23.30 C ATOM 1052 CG1 ILE A 68 6.693 -14.626 -6.402 1.00 12.43 C ATOM 1053 CG2 ILE A 68 6.210 -15.729 -8.603 1.00 4.35 C ATOM 1054 CD1 ILE A 68 6.435 -15.893 -5.617 1.00 4.33 C ATOM 0 H ILE A 68 9.641 -13.889 -7.104 1.00 62.33 H new ATOM 0 HA ILE A 68 8.463 -16.578 -7.396 1.00 15.44 H new ATOM 0 HB ILE A 68 7.305 -13.919 -8.327 1.00 23.30 H new ATOM 0 HG12 ILE A 68 7.423 -14.019 -5.866 1.00 12.43 H new ATOM 0 HG13 ILE A 68 5.771 -14.046 -6.453 1.00 12.43 H new ATOM 0 HG21 ILE A 68 5.241 -15.231 -8.623 1.00 4.35 H new ATOM 0 HG22 ILE A 68 6.570 -15.863 -9.623 1.00 4.35 H new ATOM 0 HG23 ILE A 68 6.108 -16.702 -8.123 1.00 4.35 H new ATOM 0 HD11 ILE A 68 6.076 -15.637 -4.620 1.00 4.33 H new ATOM 0 HD12 ILE A 68 5.683 -16.492 -6.130 1.00 4.33 H new ATOM 0 HD13 ILE A 68 7.360 -16.464 -5.534 1.00 4.33 H new ATOM 1066 N ASN A 69 9.574 -16.820 -9.604 1.00 13.03 N ATOM 1067 CA ASN A 69 10.135 -17.016 -10.935 1.00 41.13 C ATOM 1068 C ASN A 69 9.092 -16.732 -12.012 1.00 63.54 C ATOM 1069 O ASN A 69 7.985 -17.268 -11.975 1.00 11.13 O ATOM 1070 CB ASN A 69 10.663 -18.444 -11.084 1.00 32.31 C ATOM 1071 CG ASN A 69 11.946 -18.670 -10.307 1.00 75.52 C ATOM 1072 OD1 ASN A 69 12.022 -19.558 -9.458 1.00 35.23 O ATOM 1073 ND2 ASN A 69 12.962 -17.866 -10.596 1.00 15.42 N ATOM 0 H ASN A 69 9.543 -17.663 -9.031 1.00 13.03 H new ATOM 0 HA ASN A 69 10.961 -16.316 -11.061 1.00 41.13 H new ATOM 0 HB2 ASN A 69 9.904 -19.147 -10.740 1.00 32.31 H new ATOM 0 HB3 ASN A 69 10.838 -18.656 -12.139 1.00 32.31 H new ATOM 0 HD21 ASN A 69 13.851 -17.971 -10.107 1.00 15.42 H new ATOM 0 HD22 ASN A 69 12.854 -17.143 -11.308 1.00 15.42 H new ATOM 1080 N ALA A 70 9.455 -15.887 -12.972 1.00 22.42 N ATOM 1081 CA ALA A 70 8.553 -15.535 -14.061 1.00 13.23 C ATOM 1082 C ALA A 70 8.802 -16.409 -15.285 1.00 51.11 C ATOM 1083 O ALA A 70 8.695 -15.947 -16.421 1.00 44.13 O ATOM 1084 CB ALA A 70 8.707 -14.064 -14.419 1.00 65.23 C ATOM 0 H ALA A 70 10.368 -15.434 -13.017 1.00 22.42 H new ATOM 0 HA ALA A 70 7.531 -15.711 -13.725 1.00 13.23 H new ATOM 0 HB1 ALA A 70 8.027 -13.815 -15.234 1.00 65.23 H new ATOM 0 HB2 ALA A 70 8.471 -13.451 -13.549 1.00 65.23 H new ATOM 0 HB3 ALA A 70 9.733 -13.871 -14.731 1.00 65.23 H new ATOM 1090 N ARG A 71 9.135 -17.673 -15.046 1.00 73.10 N ATOM 1091 CA ARG A 71 9.401 -18.611 -16.130 1.00 30.11 C ATOM 1092 C ARG A 71 8.123 -18.927 -16.902 1.00 22.23 C ATOM 1093 O ARG A 71 8.129 -18.996 -18.130 1.00 23.31 O ATOM 1094 CB ARG A 71 10.009 -19.902 -15.578 1.00 34.00 C ATOM 1095 CG ARG A 71 11.528 -19.903 -15.565 1.00 5.44 C ATOM 1096 CD ARG A 71 12.095 -20.742 -16.699 1.00 23.12 C ATOM 1097 NE ARG A 71 13.237 -20.096 -17.340 1.00 40.24 N ATOM 1098 CZ ARG A 71 13.122 -19.125 -18.240 1.00 22.11 C ATOM 1099 NH1 ARG A 71 11.923 -18.691 -18.602 1.00 10.53 N ATOM 1100 NH2 ARG A 71 14.209 -18.587 -18.779 1.00 55.41 N ATOM 0 H ARG A 71 9.227 -18.071 -14.111 1.00 73.10 H new ATOM 0 HA ARG A 71 10.112 -18.146 -16.813 1.00 30.11 H new ATOM 0 HB2 ARG A 71 9.645 -20.060 -14.563 1.00 34.00 H new ATOM 0 HB3 ARG A 71 9.659 -20.743 -16.176 1.00 34.00 H new ATOM 0 HG2 ARG A 71 11.894 -18.880 -15.650 1.00 5.44 H new ATOM 0 HG3 ARG A 71 11.884 -20.291 -14.611 1.00 5.44 H new ATOM 0 HD2 ARG A 71 12.399 -21.715 -16.313 1.00 23.12 H new ATOM 0 HD3 ARG A 71 11.317 -20.922 -17.441 1.00 23.12 H new ATOM 0 HE ARG A 71 14.174 -20.407 -17.083 1.00 40.24 H new ATOM 0 HH11 ARG A 71 11.086 -19.102 -18.190 1.00 10.53 H new ATOM 0 HH12 ARG A 71 11.838 -17.946 -19.293 1.00 10.53 H new ATOM 0 HH21 ARG A 71 15.133 -18.919 -18.502 1.00 55.41 H new ATOM 0 HH22 ARG A 71 14.120 -17.842 -19.470 1.00 55.41 H new ATOM 1114 N ASN A 72 7.029 -19.119 -16.172 1.00 1.53 N ATOM 1115 CA ASN A 72 5.744 -19.428 -16.788 1.00 31.45 C ATOM 1116 C ASN A 72 5.389 -18.397 -17.854 1.00 51.20 C ATOM 1117 O ASN A 72 4.787 -18.727 -18.876 1.00 52.41 O ATOM 1118 CB ASN A 72 4.644 -19.479 -15.725 1.00 5.23 C ATOM 1119 CG ASN A 72 3.820 -20.749 -15.806 1.00 13.23 C ATOM 1120 OD1 ASN A 72 4.308 -21.793 -16.237 1.00 64.11 O ATOM 1121 ND2 ASN A 72 2.561 -20.664 -15.390 1.00 62.22 N ATOM 0 H ASN A 72 7.007 -19.066 -15.154 1.00 1.53 H new ATOM 0 HA ASN A 72 5.824 -20.405 -17.266 1.00 31.45 H new ATOM 0 HB2 ASN A 72 5.095 -19.404 -14.736 1.00 5.23 H new ATOM 0 HB3 ASN A 72 3.989 -18.616 -15.843 1.00 5.23 H new ATOM 0 HD21 ASN A 72 1.957 -21.486 -15.421 1.00 62.22 H new ATOM 0 HD22 ASN A 72 2.198 -19.777 -15.040 1.00 62.22 H new ATOM 1128 N PHE A 73 5.767 -17.146 -17.609 1.00 34.51 N ATOM 1129 CA PHE A 73 5.488 -16.066 -18.548 1.00 1.25 C ATOM 1130 C PHE A 73 6.112 -16.355 -19.910 1.00 15.40 C ATOM 1131 O PHE A 73 5.635 -15.873 -20.938 1.00 50.55 O ATOM 1132 CB PHE A 73 6.019 -14.739 -18.002 1.00 42.51 C ATOM 1133 CG PHE A 73 5.124 -14.113 -16.971 1.00 30.01 C ATOM 1134 CD1 PHE A 73 4.885 -14.750 -15.764 1.00 11.21 C ATOM 1135 CD2 PHE A 73 4.521 -12.888 -17.209 1.00 60.40 C ATOM 1136 CE1 PHE A 73 4.062 -14.177 -14.813 1.00 10.24 C ATOM 1137 CE2 PHE A 73 3.698 -12.310 -16.261 1.00 74.44 C ATOM 1138 CZ PHE A 73 3.467 -12.956 -15.062 1.00 53.13 C ATOM 0 H PHE A 73 6.267 -16.856 -16.769 1.00 34.51 H new ATOM 0 HA PHE A 73 4.407 -15.994 -18.671 1.00 1.25 H new ATOM 0 HB2 PHE A 73 7.004 -14.903 -17.565 1.00 42.51 H new ATOM 0 HB3 PHE A 73 6.150 -14.041 -18.829 1.00 42.51 H new ATOM 0 HD1 PHE A 73 5.347 -15.705 -15.564 1.00 11.21 H new ATOM 0 HD2 PHE A 73 4.696 -12.380 -18.146 1.00 60.40 H new ATOM 0 HE1 PHE A 73 3.884 -14.684 -13.876 1.00 10.24 H new ATOM 0 HE2 PHE A 73 3.236 -11.354 -16.457 1.00 74.44 H new ATOM 0 HZ PHE A 73 2.822 -12.507 -14.321 1.00 53.13 H new ATOM 1148 N LEU A 74 7.180 -17.144 -19.909 1.00 41.24 N ATOM 1149 CA LEU A 74 7.871 -17.498 -21.145 1.00 13.52 C ATOM 1150 C LEU A 74 7.705 -18.982 -21.456 1.00 12.44 C ATOM 1151 O LEU A 74 8.609 -19.619 -21.995 1.00 64.54 O ATOM 1152 CB LEU A 74 9.357 -17.150 -21.039 1.00 54.11 C ATOM 1153 CG LEU A 74 9.954 -16.391 -22.225 1.00 24.44 C ATOM 1154 CD1 LEU A 74 10.999 -15.394 -21.748 1.00 64.42 C ATOM 1155 CD2 LEU A 74 10.559 -17.362 -23.229 1.00 2.15 C ATOM 0 H LEU A 74 7.587 -17.551 -19.067 1.00 41.24 H new ATOM 0 HA LEU A 74 7.427 -16.924 -21.958 1.00 13.52 H new ATOM 0 HB2 LEU A 74 9.507 -16.554 -20.139 1.00 54.11 H new ATOM 0 HB3 LEU A 74 9.918 -18.075 -20.906 1.00 54.11 H new ATOM 0 HG LEU A 74 9.154 -15.840 -22.720 1.00 24.44 H new ATOM 0 HD11 LEU A 74 11.413 -14.863 -22.605 1.00 64.42 H new ATOM 0 HD12 LEU A 74 10.536 -14.679 -21.067 1.00 64.42 H new ATOM 0 HD13 LEU A 74 11.798 -15.924 -21.229 1.00 64.42 H new ATOM 0 HD21 LEU A 74 10.979 -16.805 -24.066 1.00 2.15 H new ATOM 0 HD22 LEU A 74 11.347 -17.941 -22.746 1.00 2.15 H new ATOM 0 HD23 LEU A 74 9.785 -18.037 -23.594 1.00 2.15 H new ATOM 1207 N GLY A 78 1.154 -18.283 -18.618 1.00 51.50 N ATOM 1208 CA GLY A 78 0.494 -18.855 -17.459 1.00 43.10 C ATOM 1209 C GLY A 78 0.420 -17.885 -16.297 1.00 13.04 C ATOM 1210 O GLY A 78 0.646 -18.265 -15.147 1.00 43.24 O ATOM 0 HA2 GLY A 78 -0.514 -19.165 -17.735 1.00 43.10 H new ATOM 0 HA3 GLY A 78 1.028 -19.752 -17.146 1.00 43.10 H new ATOM 1214 N ILE A 79 0.103 -16.630 -16.595 1.00 52.40 N ATOM 1215 CA ILE A 79 0.000 -15.603 -15.566 1.00 12.15 C ATOM 1216 C ILE A 79 -1.213 -15.840 -14.672 1.00 53.44 C ATOM 1217 O ILE A 79 -1.176 -15.565 -13.474 1.00 13.43 O ATOM 1218 CB ILE A 79 -0.098 -14.195 -16.182 1.00 63.03 C ATOM 1219 CG1 ILE A 79 0.981 -14.007 -17.251 1.00 1.32 C ATOM 1220 CG2 ILE A 79 0.029 -13.133 -15.100 1.00 44.15 C ATOM 1221 CD1 ILE A 79 0.965 -12.636 -17.891 1.00 31.21 C ATOM 0 H ILE A 79 -0.087 -16.300 -17.541 1.00 52.40 H new ATOM 0 HA ILE A 79 0.908 -15.666 -14.967 1.00 12.15 H new ATOM 0 HB ILE A 79 -1.074 -14.088 -16.655 1.00 63.03 H new ATOM 0 HG12 ILE A 79 1.959 -14.178 -16.802 1.00 1.32 H new ATOM 0 HG13 ILE A 79 0.849 -14.762 -18.026 1.00 1.32 H new ATOM 0 HG21 ILE A 79 -0.042 -12.143 -15.551 1.00 44.15 H new ATOM 0 HG22 ILE A 79 -0.772 -13.258 -14.372 1.00 44.15 H new ATOM 0 HG23 ILE A 79 0.993 -13.236 -14.601 1.00 44.15 H new ATOM 0 HD11 ILE A 79 1.756 -12.574 -18.638 1.00 31.21 H new ATOM 0 HD12 ILE A 79 -0.000 -12.469 -18.369 1.00 31.21 H new ATOM 0 HD13 ILE A 79 1.128 -11.876 -17.127 1.00 31.21 H new ATOM 1233 N GLU A 80 -2.287 -16.353 -15.265 1.00 63.03 N ATOM 1234 CA GLU A 80 -3.511 -16.628 -14.522 1.00 41.23 C ATOM 1235 C GLU A 80 -3.217 -17.464 -13.280 1.00 73.32 C ATOM 1236 O GLU A 80 -3.849 -17.290 -12.239 1.00 0.42 O ATOM 1237 CB GLU A 80 -4.522 -17.354 -15.412 1.00 41.22 C ATOM 1238 CG GLU A 80 -5.214 -16.445 -16.414 1.00 43.02 C ATOM 1239 CD GLU A 80 -5.880 -17.215 -17.537 1.00 71.45 C ATOM 1240 OE1 GLU A 80 -6.306 -18.365 -17.298 1.00 42.45 O ATOM 1241 OE2 GLU A 80 -5.976 -16.668 -18.656 1.00 10.00 O ATOM 0 H GLU A 80 -2.334 -16.586 -16.257 1.00 63.03 H new ATOM 0 HA GLU A 80 -3.935 -15.675 -14.205 1.00 41.23 H new ATOM 0 HB2 GLU A 80 -4.012 -18.152 -15.951 1.00 41.22 H new ATOM 0 HB3 GLU A 80 -5.276 -17.826 -14.781 1.00 41.22 H new ATOM 0 HG2 GLU A 80 -5.962 -15.844 -15.897 1.00 43.02 H new ATOM 0 HG3 GLU A 80 -4.485 -15.753 -16.835 1.00 43.02 H new ATOM 1248 N GLU A 81 -2.255 -18.373 -13.400 1.00 24.31 N ATOM 1249 CA GLU A 81 -1.878 -19.238 -12.287 1.00 55.35 C ATOM 1250 C GLU A 81 -0.836 -18.562 -11.402 1.00 2.23 C ATOM 1251 O GLU A 81 -0.924 -18.605 -10.174 1.00 72.31 O ATOM 1252 CB GLU A 81 -1.335 -20.570 -12.809 1.00 3.53 C ATOM 1253 CG GLU A 81 -2.283 -21.286 -13.755 1.00 15.11 C ATOM 1254 CD GLU A 81 -3.472 -21.897 -13.038 1.00 4.02 C ATOM 1255 OE1 GLU A 81 -4.229 -22.651 -13.683 1.00 75.32 O ATOM 1256 OE2 GLU A 81 -3.644 -21.621 -11.832 1.00 62.13 O ATOM 0 H GLU A 81 -1.723 -18.530 -14.256 1.00 24.31 H new ATOM 0 HA GLU A 81 -2.769 -19.427 -11.689 1.00 55.35 H new ATOM 0 HB2 GLU A 81 -0.390 -20.391 -13.322 1.00 3.53 H new ATOM 0 HB3 GLU A 81 -1.120 -21.222 -11.962 1.00 3.53 H new ATOM 0 HG2 GLU A 81 -2.639 -20.583 -14.507 1.00 15.11 H new ATOM 0 HG3 GLU A 81 -1.740 -22.070 -14.283 1.00 15.11 H new ATOM 1263 N THR A 82 0.153 -17.937 -12.033 1.00 42.22 N ATOM 1264 CA THR A 82 1.214 -17.253 -11.304 1.00 61.23 C ATOM 1265 C THR A 82 0.647 -16.165 -10.401 1.00 12.55 C ATOM 1266 O THR A 82 0.834 -16.193 -9.184 1.00 11.11 O ATOM 1267 CB THR A 82 2.240 -16.624 -12.265 1.00 44.21 C ATOM 1268 OG1 THR A 82 2.413 -17.460 -13.414 1.00 74.35 O ATOM 1269 CG2 THR A 82 3.580 -16.424 -11.571 1.00 74.55 C ATOM 0 H THR A 82 0.241 -17.890 -13.048 1.00 42.22 H new ATOM 0 HA THR A 82 1.713 -18.005 -10.693 1.00 61.23 H new ATOM 0 HB THR A 82 1.862 -15.651 -12.578 1.00 44.21 H new ATOM 0 HG1 THR A 82 1.679 -17.306 -14.044 1.00 74.35 H new ATOM 0 HG21 THR A 82 4.289 -15.979 -12.269 1.00 74.55 H new ATOM 0 HG22 THR A 82 3.451 -15.763 -10.714 1.00 74.55 H new ATOM 0 HG23 THR A 82 3.961 -17.387 -11.232 1.00 74.55 H new ATOM 1277 N LYS A 83 -0.048 -15.205 -11.002 1.00 71.23 N ATOM 1278 CA LYS A 83 -0.645 -14.107 -10.252 1.00 53.20 C ATOM 1279 C LYS A 83 -1.487 -14.633 -9.094 1.00 75.33 C ATOM 1280 O LYS A 83 -1.542 -14.022 -8.027 1.00 71.35 O ATOM 1281 CB LYS A 83 -1.509 -13.243 -11.174 1.00 13.15 C ATOM 1282 CG LYS A 83 -1.638 -11.802 -10.712 1.00 3.41 C ATOM 1283 CD LYS A 83 -0.357 -11.022 -10.956 1.00 4.34 C ATOM 1284 CE LYS A 83 -0.538 -9.543 -10.652 1.00 11.54 C ATOM 1285 NZ LYS A 83 -0.310 -9.240 -9.211 1.00 60.24 N ATOM 0 H LYS A 83 -0.212 -15.166 -12.008 1.00 71.23 H new ATOM 0 HA LYS A 83 0.162 -13.498 -9.844 1.00 53.20 H new ATOM 0 HB2 LYS A 83 -1.082 -13.257 -12.177 1.00 13.15 H new ATOM 0 HB3 LYS A 83 -2.503 -13.684 -11.244 1.00 13.15 H new ATOM 0 HG2 LYS A 83 -2.463 -11.322 -11.239 1.00 3.41 H new ATOM 0 HG3 LYS A 83 -1.882 -11.780 -9.650 1.00 3.41 H new ATOM 0 HD2 LYS A 83 0.441 -11.427 -10.334 1.00 4.34 H new ATOM 0 HD3 LYS A 83 -0.046 -11.146 -11.993 1.00 4.34 H new ATOM 0 HE2 LYS A 83 0.154 -8.960 -11.259 1.00 11.54 H new ATOM 0 HE3 LYS A 83 -1.545 -9.235 -10.933 1.00 11.54 H new ATOM 0 HZ1 LYS A 83 -0.443 -8.222 -9.045 1.00 60.24 H new ATOM 0 HZ2 LYS A 83 -0.987 -9.776 -8.632 1.00 60.24 H new ATOM 0 HZ3 LYS A 83 0.660 -9.510 -8.949 1.00 60.24 H new ATOM 1299 N GLN A 84 -2.140 -15.770 -9.313 1.00 34.25 N ATOM 1300 CA GLN A 84 -2.979 -16.378 -8.286 1.00 62.21 C ATOM 1301 C GLN A 84 -2.161 -16.715 -7.044 1.00 4.42 C ATOM 1302 O GLN A 84 -2.649 -16.603 -5.920 1.00 23.24 O ATOM 1303 CB GLN A 84 -3.649 -17.642 -8.828 1.00 22.23 C ATOM 1304 CG GLN A 84 -5.089 -17.428 -9.266 1.00 5.42 C ATOM 1305 CD GLN A 84 -6.031 -17.227 -8.095 1.00 70.54 C ATOM 1306 OE1 GLN A 84 -6.562 -16.136 -7.891 1.00 12.41 O ATOM 1307 NE2 GLN A 84 -6.244 -18.284 -7.319 1.00 51.33 N ATOM 0 H GLN A 84 -2.105 -16.288 -10.191 1.00 34.25 H new ATOM 0 HA GLN A 84 -3.748 -15.658 -8.008 1.00 62.21 H new ATOM 0 HB2 GLN A 84 -3.072 -18.014 -9.675 1.00 22.23 H new ATOM 0 HB3 GLN A 84 -3.623 -18.415 -8.060 1.00 22.23 H new ATOM 0 HG2 GLN A 84 -5.140 -16.559 -9.922 1.00 5.42 H new ATOM 0 HG3 GLN A 84 -5.419 -18.287 -9.850 1.00 5.42 H new ATOM 0 HE21 GLN A 84 -5.782 -19.170 -7.526 1.00 51.33 H new ATOM 0 HE22 GLN A 84 -6.869 -18.210 -6.517 1.00 51.33 H new ATOM 1316 N GLN A 85 -0.915 -17.126 -7.255 1.00 62.54 N ATOM 1317 CA GLN A 85 -0.030 -17.480 -6.152 1.00 22.02 C ATOM 1318 C GLN A 85 0.504 -16.230 -5.460 1.00 43.03 C ATOM 1319 O GLN A 85 0.409 -16.095 -4.240 1.00 75.31 O ATOM 1320 CB GLN A 85 1.134 -18.334 -6.657 1.00 61.32 C ATOM 1321 CG GLN A 85 0.693 -19.597 -7.380 1.00 21.02 C ATOM 1322 CD GLN A 85 -0.427 -20.321 -6.659 1.00 55.53 C ATOM 1323 OE1 GLN A 85 -0.217 -20.922 -5.606 1.00 11.04 O ATOM 1324 NE2 GLN A 85 -1.628 -20.266 -7.225 1.00 4.10 N ATOM 0 H GLN A 85 -0.496 -17.222 -8.180 1.00 62.54 H new ATOM 0 HA GLN A 85 -0.606 -18.056 -5.428 1.00 22.02 H new ATOM 0 HB2 GLN A 85 1.748 -17.735 -7.330 1.00 61.32 H new ATOM 0 HB3 GLN A 85 1.764 -18.610 -5.812 1.00 61.32 H new ATOM 0 HG2 GLN A 85 0.365 -19.339 -8.387 1.00 21.02 H new ATOM 0 HG3 GLN A 85 1.546 -20.268 -7.485 1.00 21.02 H new ATOM 0 HE21 GLN A 85 -1.757 -19.756 -8.099 1.00 4.10 H new ATOM 0 HE22 GLN A 85 -2.421 -20.734 -6.786 1.00 4.10 H new ATOM 1333 N ILE A 86 1.067 -15.319 -6.247 1.00 74.14 N ATOM 1334 CA ILE A 86 1.615 -14.080 -5.710 1.00 61.03 C ATOM 1335 C ILE A 86 0.546 -13.279 -4.975 1.00 21.02 C ATOM 1336 O ILE A 86 0.762 -12.819 -3.853 1.00 14.23 O ATOM 1337 CB ILE A 86 2.222 -13.205 -6.822 1.00 43.53 C ATOM 1338 CG1 ILE A 86 3.317 -13.973 -7.566 1.00 2.44 C ATOM 1339 CG2 ILE A 86 2.777 -11.914 -6.237 1.00 72.32 C ATOM 1340 CD1 ILE A 86 2.983 -14.252 -9.014 1.00 54.52 C ATOM 0 H ILE A 86 1.155 -15.416 -7.259 1.00 74.14 H new ATOM 0 HA ILE A 86 2.401 -14.360 -5.009 1.00 61.03 H new ATOM 0 HB ILE A 86 1.436 -12.951 -7.533 1.00 43.53 H new ATOM 0 HG12 ILE A 86 4.245 -13.403 -7.519 1.00 2.44 H new ATOM 0 HG13 ILE A 86 3.498 -14.919 -7.055 1.00 2.44 H new ATOM 0 HG21 ILE A 86 3.203 -11.306 -7.035 1.00 72.32 H new ATOM 0 HG22 ILE A 86 1.974 -11.361 -5.749 1.00 72.32 H new ATOM 0 HG23 ILE A 86 3.552 -12.149 -5.507 1.00 72.32 H new ATOM 0 HD11 ILE A 86 3.804 -14.799 -9.478 1.00 54.52 H new ATOM 0 HD12 ILE A 86 2.072 -14.849 -9.069 1.00 54.52 H new ATOM 0 HD13 ILE A 86 2.832 -13.310 -9.541 1.00 54.52 H new ATOM 1352 N LEU A 87 -0.608 -13.117 -5.613 1.00 23.41 N ATOM 1353 CA LEU A 87 -1.713 -12.373 -5.019 1.00 20.32 C ATOM 1354 C LEU A 87 -2.056 -12.919 -3.636 1.00 44.31 C ATOM 1355 O LEU A 87 -2.435 -12.168 -2.737 1.00 10.05 O ATOM 1356 CB LEU A 87 -2.944 -12.439 -5.925 1.00 24.31 C ATOM 1357 CG LEU A 87 -4.204 -11.752 -5.397 1.00 25.41 C ATOM 1358 CD1 LEU A 87 -4.262 -10.308 -5.870 1.00 31.14 C ATOM 1359 CD2 LEU A 87 -5.448 -12.510 -5.836 1.00 60.11 C ATOM 0 H LEU A 87 -0.803 -13.491 -6.542 1.00 23.41 H new ATOM 0 HA LEU A 87 -1.403 -11.333 -4.913 1.00 20.32 H new ATOM 0 HB2 LEU A 87 -2.687 -11.994 -6.886 1.00 24.31 H new ATOM 0 HB3 LEU A 87 -3.177 -13.487 -6.112 1.00 24.31 H new ATOM 0 HG LEU A 87 -4.167 -11.754 -4.308 1.00 25.41 H new ATOM 0 HD11 LEU A 87 -5.165 -9.835 -5.485 1.00 31.14 H new ATOM 0 HD12 LEU A 87 -3.387 -9.770 -5.505 1.00 31.14 H new ATOM 0 HD13 LEU A 87 -4.276 -10.282 -6.960 1.00 31.14 H new ATOM 0 HD21 LEU A 87 -6.335 -12.007 -5.451 1.00 60.11 H new ATOM 0 HD22 LEU A 87 -5.491 -12.539 -6.925 1.00 60.11 H new ATOM 0 HD23 LEU A 87 -5.410 -13.527 -5.447 1.00 60.11 H new ATOM 1371 N THR A 88 -1.918 -14.231 -3.472 1.00 45.21 N ATOM 1372 CA THR A 88 -2.211 -14.877 -2.199 1.00 72.02 C ATOM 1373 C THR A 88 -1.518 -14.161 -1.046 1.00 44.11 C ATOM 1374 O THR A 88 -2.047 -14.095 0.063 1.00 43.32 O ATOM 1375 CB THR A 88 -1.777 -16.355 -2.206 1.00 50.12 C ATOM 1376 OG1 THR A 88 -2.313 -17.018 -3.357 1.00 13.43 O ATOM 1377 CG2 THR A 88 -2.245 -17.062 -0.943 1.00 61.33 C ATOM 0 H THR A 88 -1.605 -14.867 -4.205 1.00 45.21 H new ATOM 0 HA THR A 88 -3.291 -14.824 -2.059 1.00 72.02 H new ATOM 0 HB THR A 88 -0.688 -16.391 -2.241 1.00 50.12 H new ATOM 0 HG1 THR A 88 -1.885 -16.667 -4.166 1.00 13.43 H new ATOM 0 HG21 THR A 88 -1.927 -18.104 -0.970 1.00 61.33 H new ATOM 0 HG22 THR A 88 -1.812 -16.573 -0.071 1.00 61.33 H new ATOM 0 HG23 THR A 88 -3.332 -17.016 -0.882 1.00 61.33 H new ATOM 1385 N GLU A 89 -0.331 -13.626 -1.316 1.00 0.41 N ATOM 1386 CA GLU A 89 0.434 -12.914 -0.299 1.00 24.12 C ATOM 1387 C GLU A 89 0.382 -11.407 -0.534 1.00 23.22 C ATOM 1388 O GLU A 89 0.367 -10.620 0.413 1.00 3.23 O ATOM 1389 CB GLU A 89 1.888 -13.391 -0.296 1.00 63.04 C ATOM 1390 CG GLU A 89 2.033 -14.903 -0.345 1.00 1.20 C ATOM 1391 CD GLU A 89 3.306 -15.389 0.320 1.00 2.42 C ATOM 1392 OE1 GLU A 89 3.999 -16.239 -0.277 1.00 22.24 O ATOM 1393 OE2 GLU A 89 3.609 -14.919 1.437 1.00 45.13 O ATOM 0 H GLU A 89 0.121 -13.672 -2.229 1.00 0.41 H new ATOM 0 HA GLU A 89 -0.013 -13.128 0.672 1.00 24.12 H new ATOM 0 HB2 GLU A 89 2.406 -12.957 -1.151 1.00 63.04 H new ATOM 0 HB3 GLU A 89 2.383 -13.016 0.600 1.00 63.04 H new ATOM 0 HG2 GLU A 89 1.174 -15.363 0.144 1.00 1.20 H new ATOM 0 HG3 GLU A 89 2.022 -15.232 -1.384 1.00 1.20 H new ATOM 1400 N LEU A 90 0.355 -11.013 -1.802 1.00 44.11 N ATOM 1401 CA LEU A 90 0.306 -9.600 -2.163 1.00 74.42 C ATOM 1402 C LEU A 90 -0.820 -8.888 -1.421 1.00 13.13 C ATOM 1403 O LEU A 90 -0.576 -7.974 -0.634 1.00 2.21 O ATOM 1404 CB LEU A 90 0.114 -9.446 -3.673 1.00 32.30 C ATOM 1405 CG LEU A 90 0.809 -8.247 -4.319 1.00 31.31 C ATOM 1406 CD1 LEU A 90 2.312 -8.318 -4.097 1.00 72.31 C ATOM 1407 CD2 LEU A 90 0.490 -8.183 -5.805 1.00 51.05 C ATOM 0 H LEU A 90 0.366 -11.651 -2.597 1.00 44.11 H new ATOM 0 HA LEU A 90 1.253 -9.143 -1.875 1.00 74.42 H new ATOM 0 HB2 LEU A 90 0.472 -10.353 -4.159 1.00 32.30 H new ATOM 0 HB3 LEU A 90 -0.954 -9.375 -3.878 1.00 32.30 H new ATOM 0 HG LEU A 90 0.436 -7.338 -3.848 1.00 31.31 H new ATOM 0 HD11 LEU A 90 2.790 -7.457 -4.564 1.00 72.31 H new ATOM 0 HD12 LEU A 90 2.522 -8.314 -3.028 1.00 72.31 H new ATOM 0 HD13 LEU A 90 2.702 -9.234 -4.541 1.00 72.31 H new ATOM 0 HD21 LEU A 90 0.993 -7.324 -6.248 1.00 51.05 H new ATOM 0 HD22 LEU A 90 0.835 -9.096 -6.291 1.00 51.05 H new ATOM 0 HD23 LEU A 90 -0.587 -8.084 -5.942 1.00 51.05 H new ATOM 1419 N GLN A 91 -2.053 -9.315 -1.675 1.00 50.43 N ATOM 1420 CA GLN A 91 -3.216 -8.718 -1.029 1.00 51.14 C ATOM 1421 C GLN A 91 -3.653 -9.544 0.176 1.00 51.12 C ATOM 1422 O GLN A 91 -4.127 -9.002 1.174 1.00 35.25 O ATOM 1423 CB GLN A 91 -4.371 -8.595 -2.024 1.00 74.24 C ATOM 1424 CG GLN A 91 -4.942 -9.934 -2.462 1.00 34.40 C ATOM 1425 CD GLN A 91 -5.966 -10.480 -1.485 1.00 42.54 C ATOM 1426 OE1 GLN A 91 -6.774 -9.732 -0.934 1.00 33.21 O ATOM 1427 NE2 GLN A 91 -5.937 -11.789 -1.266 1.00 45.13 N ATOM 0 H GLN A 91 -2.272 -10.072 -2.323 1.00 50.43 H new ATOM 0 HA GLN A 91 -2.937 -7.723 -0.682 1.00 51.14 H new ATOM 0 HB2 GLN A 91 -5.166 -8.000 -1.574 1.00 74.24 H new ATOM 0 HB3 GLN A 91 -4.026 -8.052 -2.903 1.00 74.24 H new ATOM 0 HG2 GLN A 91 -5.404 -9.824 -3.443 1.00 34.40 H new ATOM 0 HG3 GLN A 91 -4.130 -10.653 -2.571 1.00 34.40 H new ATOM 0 HE21 GLN A 91 -5.250 -12.371 -1.745 1.00 45.13 H new ATOM 0 HE22 GLN A 91 -6.602 -12.213 -0.619 1.00 45.13 H new ATOM 1436 N LYS A 92 -3.490 -10.859 0.076 1.00 55.11 N ATOM 1437 CA LYS A 92 -3.867 -11.761 1.158 1.00 61.24 C ATOM 1438 C LYS A 92 -5.292 -11.484 1.626 1.00 21.40 C ATOM 1439 O LYS A 92 -5.508 -11.014 2.743 1.00 11.30 O ATOM 1440 CB LYS A 92 -2.896 -11.616 2.331 1.00 23.54 C ATOM 1441 CG LYS A 92 -2.793 -12.863 3.193 1.00 63.21 C ATOM 1442 CD LYS A 92 -1.752 -12.700 4.288 1.00 64.14 C ATOM 1443 CE LYS A 92 -1.329 -14.045 4.860 1.00 40.44 C ATOM 1444 NZ LYS A 92 -0.531 -13.890 6.107 1.00 30.35 N ATOM 0 H LYS A 92 -3.099 -11.324 -0.744 1.00 55.11 H new ATOM 0 HA LYS A 92 -3.820 -12.782 0.780 1.00 61.24 H new ATOM 0 HB2 LYS A 92 -1.907 -11.369 1.945 1.00 23.54 H new ATOM 0 HB3 LYS A 92 -3.214 -10.779 2.953 1.00 23.54 H new ATOM 0 HG2 LYS A 92 -3.763 -13.078 3.641 1.00 63.21 H new ATOM 0 HG3 LYS A 92 -2.534 -13.718 2.568 1.00 63.21 H new ATOM 0 HD2 LYS A 92 -0.880 -12.183 3.888 1.00 64.14 H new ATOM 0 HD3 LYS A 92 -2.155 -12.075 5.085 1.00 64.14 H new ATOM 0 HE2 LYS A 92 -2.214 -14.646 5.068 1.00 40.44 H new ATOM 0 HE3 LYS A 92 -0.742 -14.587 4.118 1.00 40.44 H new ATOM 0 HZ1 LYS A 92 -0.262 -14.828 6.466 1.00 30.35 H new ATOM 0 HZ2 LYS A 92 0.327 -13.338 5.904 1.00 30.35 H new ATOM 0 HZ3 LYS A 92 -1.100 -13.395 6.824 1.00 30.35 H new