USER MOD reduce.3.24.130724 H: found=0, std=0, add=1554, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1558 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: B 62 SER OG : rot 76:sc= 1.56 USER MOD Set 1.2: B 69 THR OG1 : rot -58:sc= 0.193 USER MOD Set 2.1: B 51 ASN : amide:sc= -0.403 K(o=-1.1,f=-3.4) USER MOD Set 2.2: B 52 SER OG : rot 180:sc= -0.735 USER MOD Set 3.1: A 88 CYS SG : rot -140:sc= 0.529 USER MOD Set 3.2: A 90 SER OG : rot -9:sc= -0.109 USER MOD Set 4.1: A 52 THR OG1 : rot 79:sc= 1.34 USER MOD Set 4.2: A 58 HIS : no HE2:sc= 1.17 K(o=2.5,f=-3.6!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 176:sc= 2.52 (180deg=2.25) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -40:sc= 0.497 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -140:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 168:sc= -0.0042 (180deg=-0.114) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 120:sc= -0.0154 USER MOD Single : A 50 GLN : amide:sc= -0.0363 K(o=-0.036,f=-1.1) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot -66:sc= 1.01 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0.0959 USER MOD Single : A 68 ASN : amide:sc= -0.174 K(o=-0.17,f=-0.79) USER MOD Single : A 80 CYS SG : rot -45:sc= -2.98! USER MOD Single : A 83 LYS NZ :NH3+ -170:sc= 1.25 (180deg=1.12) USER MOD Single : A 87 GLN : amide:sc= -0.037 K(o=-0.037,f=-1) USER MOD Single : A 94 TYR OH : rot -135:sc= 1.24 USER MOD Single : A 97 LYS NZ :NH3+ -171:sc= 0.919 (180deg=0.538) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0676) USER MOD Single : A 109 MET CE :methyl 177:sc= 0 (180deg=-0.00868) USER MOD Single : A 110 GLN : amide:sc= -0.272 X(o=-0.27,f=-0.68) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0129 USER MOD Single : A 116 GLN : amide:sc= -0.0659 X(o=-0.066,f=-0.23) USER MOD Single : A 120 HIS : no HD1:sc= -0.0685 X(o=-0.068,f=-0.42) USER MOD Single : A 121 CYS SG : rot 46:sc= 1.21 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= 1.67 K(o=1.7,f=-5.9!) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 ASN : amide:sc= 0.12 K(o=0.12,f=-2.6!) USER MOD Single : A 130 ASN : amide:sc= -1.69! K(o=-1.7!,f=-0.19) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0325) USER MOD Single : B 36 THR OG1 : rot 180:sc= 0 USER MOD Single : B 38 LYS NZ :NH3+ 167:sc= 2.19 (180deg=1.95) USER MOD Single : B 39 THR OG1 : rot -48:sc= 1.25 USER MOD Single : B 41 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.249) USER MOD Single : B 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 SER OG : rot 180:sc= 0 USER MOD Single : B 55 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : B 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 67 SER OG : rot 180:sc= 0 USER MOD Single : B 68 GLN : amide:sc= -0.303 K(o=-0.3,f=-2.1!) USER MOD Single : B 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 79 LYS NZ :NH3+ -113:sc= -6.37! (180deg=-11.1!) USER MOD Single : B 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 84 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : B 86 THR OG1 : rot 180:sc= 0 USER MOD Single : B 89 GLN : amide:sc= 0.132 X(o=0.13,f=-0.13) USER MOD Single : B 90 HIS : no HD1:sc= -0.377 X(o=-0.38,f=-0.0082) USER MOD Single : B 93 HIS : no HD1:sc= 0 X(o=0,f=-0.063) USER MOD Single : B 97 THR OG1 : rot 180:sc= 0.00606 USER MOD Single : B 99 HIS : no HD1:sc= -1.79 K(o=-0.34,f=-8.6!) USER MOD Single : B 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 21 -12.084 21.557 8.475 1.00 0.79 N ATOM 2 CA LYS A 21 -13.144 20.535 8.338 1.00 0.63 C ATOM 3 C LYS A 21 -12.589 19.298 7.650 1.00 0.53 C ATOM 4 O LYS A 21 -11.385 19.209 7.404 1.00 0.61 O ATOM 5 CB LYS A 21 -14.323 21.092 7.534 1.00 0.62 C ATOM 6 CG LYS A 21 -13.965 21.458 6.101 1.00 0.66 C ATOM 7 CD LYS A 21 -15.186 21.888 5.307 1.00 0.77 C ATOM 8 CE LYS A 21 -15.779 23.180 5.849 1.00 0.90 C ATOM 9 NZ LYS A 21 -16.536 23.916 4.807 1.00 1.10 N ATOM 0 HA LYS A 21 -13.495 20.264 9.334 1.00 0.63 H new ATOM 0 HB2 LYS A 21 -15.125 20.354 7.522 1.00 0.62 H new ATOM 0 HB3 LYS A 21 -14.711 21.976 8.040 1.00 0.62 H new ATOM 0 HG2 LYS A 21 -13.231 22.264 6.104 1.00 0.66 H new ATOM 0 HG3 LYS A 21 -13.497 20.603 5.613 1.00 0.66 H new ATOM 0 HD2 LYS A 21 -14.911 22.024 4.261 1.00 0.77 H new ATOM 0 HD3 LYS A 21 -15.938 21.100 5.340 1.00 0.77 H new ATOM 0 HE2 LYS A 21 -16.439 22.954 6.687 1.00 0.90 H new ATOM 0 HE3 LYS A 21 -14.980 23.814 6.234 1.00 0.90 H new ATOM 0 HZ1 LYS A 21 -16.925 24.791 5.213 1.00 1.10 H new ATOM 0 HZ2 LYS A 21 -15.900 24.153 4.019 1.00 1.10 H new ATOM 0 HZ3 LYS A 21 -17.314 23.321 4.457 1.00 1.10 H new ATOM 23 N TYR A 22 -13.462 18.346 7.342 1.00 0.49 N ATOM 24 CA TYR A 22 -13.049 17.123 6.675 1.00 0.49 C ATOM 25 C TYR A 22 -13.609 17.086 5.257 1.00 0.47 C ATOM 26 O TYR A 22 -14.594 17.761 4.952 1.00 0.57 O ATOM 27 CB TYR A 22 -13.514 15.890 7.459 1.00 0.56 C ATOM 28 CG TYR A 22 -13.366 16.023 8.961 1.00 0.55 C ATOM 29 CD1 TYR A 22 -12.144 16.351 9.532 1.00 0.56 C ATOM 30 CD2 TYR A 22 -14.452 15.830 9.805 1.00 0.61 C ATOM 31 CE1 TYR A 22 -12.010 16.481 10.899 1.00 0.60 C ATOM 32 CE2 TYR A 22 -14.323 15.957 11.173 1.00 0.67 C ATOM 33 CZ TYR A 22 -13.101 16.283 11.715 1.00 0.65 C ATOM 34 OH TYR A 22 -12.974 16.423 13.078 1.00 0.75 O ATOM 0 H TYR A 22 -14.460 18.400 7.545 1.00 0.49 H new ATOM 0 HA TYR A 22 -11.960 17.108 6.629 1.00 0.49 H new ATOM 0 HB2 TYR A 22 -14.560 15.695 7.223 1.00 0.56 H new ATOM 0 HB3 TYR A 22 -12.945 15.023 7.123 1.00 0.56 H new ATOM 0 HD1 TYR A 22 -11.285 16.507 8.896 1.00 0.56 H new ATOM 0 HD2 TYR A 22 -15.413 15.576 9.384 1.00 0.61 H new ATOM 0 HE1 TYR A 22 -11.052 16.737 11.328 1.00 0.60 H new ATOM 0 HE2 TYR A 22 -15.177 15.801 11.815 1.00 0.67 H new ATOM 0 HH TYR A 22 -13.838 16.250 13.507 1.00 0.75 H new ATOM 44 N LEU A 23 -12.970 16.309 4.397 1.00 0.41 N ATOM 45 CA LEU A 23 -13.400 16.178 3.013 1.00 0.43 C ATOM 46 C LEU A 23 -14.647 15.307 2.933 1.00 0.43 C ATOM 47 O LEU A 23 -15.627 15.667 2.282 1.00 0.52 O ATOM 48 CB LEU A 23 -12.274 15.575 2.164 1.00 0.45 C ATOM 49 CG LEU A 23 -10.965 16.372 2.163 1.00 0.54 C ATOM 50 CD1 LEU A 23 -9.856 15.586 1.481 1.00 0.64 C ATOM 51 CD2 LEU A 23 -11.160 17.718 1.481 1.00 0.70 C ATOM 0 H LEU A 23 -12.146 15.756 4.635 1.00 0.41 H new ATOM 0 HA LEU A 23 -13.639 17.167 2.623 1.00 0.43 H new ATOM 0 HB2 LEU A 23 -12.068 14.567 2.524 1.00 0.45 H new ATOM 0 HB3 LEU A 23 -12.625 15.481 1.136 1.00 0.45 H new ATOM 0 HG LEU A 23 -10.673 16.548 3.198 1.00 0.54 H new ATOM 0 HD11 LEU A 23 -8.936 16.171 1.492 1.00 0.64 H new ATOM 0 HD12 LEU A 23 -9.696 14.648 2.012 1.00 0.64 H new ATOM 0 HD13 LEU A 23 -10.140 15.376 0.450 1.00 0.64 H new ATOM 0 HD21 LEU A 23 -10.220 18.270 1.490 1.00 0.70 H new ATOM 0 HD22 LEU A 23 -11.479 17.561 0.451 1.00 0.70 H new ATOM 0 HD23 LEU A 23 -11.921 18.289 2.013 1.00 0.70 H new ATOM 63 N VAL A 24 -14.592 14.164 3.601 1.00 0.42 N ATOM 64 CA VAL A 24 -15.702 13.224 3.645 1.00 0.46 C ATOM 65 C VAL A 24 -15.730 12.556 5.012 1.00 0.43 C ATOM 66 O VAL A 24 -14.683 12.160 5.531 1.00 0.44 O ATOM 67 CB VAL A 24 -15.588 12.140 2.542 1.00 0.54 C ATOM 68 CG1 VAL A 24 -16.451 10.924 2.857 1.00 0.70 C ATOM 69 CG2 VAL A 24 -15.971 12.709 1.184 1.00 0.76 C ATOM 0 H VAL A 24 -13.774 13.862 4.129 1.00 0.42 H new ATOM 0 HA VAL A 24 -16.624 13.778 3.468 1.00 0.46 H new ATOM 0 HB VAL A 24 -14.547 11.819 2.512 1.00 0.54 H new ATOM 0 HG11 VAL A 24 -16.345 10.186 2.061 1.00 0.70 H new ATOM 0 HG12 VAL A 24 -16.132 10.486 3.803 1.00 0.70 H new ATOM 0 HG13 VAL A 24 -17.495 11.228 2.932 1.00 0.70 H new ATOM 0 HG21 VAL A 24 -15.884 11.931 0.426 1.00 0.76 H new ATOM 0 HG22 VAL A 24 -16.999 13.069 1.217 1.00 0.76 H new ATOM 0 HG23 VAL A 24 -15.305 13.535 0.935 1.00 0.76 H new ATOM 79 N GLU A 25 -16.908 12.463 5.599 1.00 0.45 N ATOM 80 CA GLU A 25 -17.066 11.851 6.906 1.00 0.45 C ATOM 81 C GLU A 25 -18.362 11.051 6.976 1.00 0.47 C ATOM 82 O GLU A 25 -19.422 11.532 6.573 1.00 0.55 O ATOM 83 CB GLU A 25 -17.056 12.926 7.993 1.00 0.49 C ATOM 84 CG GLU A 25 -17.914 14.141 7.660 1.00 0.56 C ATOM 85 CD GLU A 25 -18.337 14.906 8.894 1.00 0.69 C ATOM 86 OE1 GLU A 25 -19.399 14.572 9.468 1.00 0.96 O ATOM 87 OE2 GLU A 25 -17.618 15.844 9.295 1.00 0.95 O ATOM 0 H GLU A 25 -17.776 12.806 5.188 1.00 0.45 H new ATOM 0 HA GLU A 25 -16.231 11.169 7.069 1.00 0.45 H new ATOM 0 HB2 GLU A 25 -17.408 12.489 8.927 1.00 0.49 H new ATOM 0 HB3 GLU A 25 -16.029 13.252 8.160 1.00 0.49 H new ATOM 0 HG2 GLU A 25 -17.358 14.804 6.998 1.00 0.56 H new ATOM 0 HG3 GLU A 25 -18.801 13.817 7.115 1.00 0.56 H new ATOM 94 N PHE A 26 -18.277 9.831 7.482 1.00 0.43 N ATOM 95 CA PHE A 26 -19.452 8.984 7.611 1.00 0.46 C ATOM 96 C PHE A 26 -19.310 8.051 8.807 1.00 0.45 C ATOM 97 O PHE A 26 -18.215 7.887 9.350 1.00 0.44 O ATOM 98 CB PHE A 26 -19.707 8.181 6.325 1.00 0.47 C ATOM 99 CG PHE A 26 -18.509 7.438 5.801 1.00 0.46 C ATOM 100 CD1 PHE A 26 -18.176 6.190 6.299 1.00 0.48 C ATOM 101 CD2 PHE A 26 -17.723 7.983 4.798 1.00 0.51 C ATOM 102 CE1 PHE A 26 -17.084 5.503 5.810 1.00 0.49 C ATOM 103 CE2 PHE A 26 -16.630 7.302 4.306 1.00 0.55 C ATOM 104 CZ PHE A 26 -16.310 6.059 4.812 1.00 0.51 C ATOM 0 H PHE A 26 -17.409 9.406 7.809 1.00 0.43 H new ATOM 0 HA PHE A 26 -20.314 9.631 7.775 1.00 0.46 H new ATOM 0 HB2 PHE A 26 -20.508 7.466 6.512 1.00 0.47 H new ATOM 0 HB3 PHE A 26 -20.062 8.862 5.552 1.00 0.47 H new ATOM 0 HD1 PHE A 26 -18.778 5.749 7.080 1.00 0.48 H new ATOM 0 HD2 PHE A 26 -17.970 8.955 4.396 1.00 0.51 H new ATOM 0 HE1 PHE A 26 -16.835 4.530 6.208 1.00 0.49 H new ATOM 0 HE2 PHE A 26 -16.025 7.741 3.526 1.00 0.55 H new ATOM 0 HZ PHE A 26 -15.455 5.522 4.428 1.00 0.51 H new ATOM 114 N ARG A 27 -20.419 7.454 9.219 1.00 0.47 N ATOM 115 CA ARG A 27 -20.419 6.547 10.352 1.00 0.47 C ATOM 116 C ARG A 27 -20.111 5.124 9.901 1.00 0.45 C ATOM 117 O ARG A 27 -20.888 4.515 9.158 1.00 0.46 O ATOM 118 CB ARG A 27 -21.770 6.597 11.064 1.00 0.51 C ATOM 119 CG ARG A 27 -22.039 7.928 11.740 1.00 0.55 C ATOM 120 CD ARG A 27 -23.523 8.142 11.962 1.00 0.61 C ATOM 121 NE ARG A 27 -24.248 8.321 10.702 1.00 0.62 N ATOM 122 CZ ARG A 27 -25.392 8.994 10.590 1.00 0.73 C ATOM 123 NH1 ARG A 27 -25.950 9.546 11.656 1.00 0.84 N ATOM 124 NH2 ARG A 27 -25.983 9.099 9.410 1.00 0.77 N ATOM 0 H ARG A 27 -21.332 7.584 8.783 1.00 0.47 H new ATOM 0 HA ARG A 27 -19.641 6.862 11.048 1.00 0.47 H new ATOM 0 HB2 ARG A 27 -22.562 6.397 10.342 1.00 0.51 H new ATOM 0 HB3 ARG A 27 -21.810 5.803 11.810 1.00 0.51 H new ATOM 0 HG2 ARG A 27 -21.517 7.965 12.696 1.00 0.55 H new ATOM 0 HG3 ARG A 27 -21.640 8.737 11.128 1.00 0.55 H new ATOM 0 HD2 ARG A 27 -23.936 7.288 12.499 1.00 0.61 H new ATOM 0 HD3 ARG A 27 -23.672 9.018 12.593 1.00 0.61 H new ATOM 0 HE ARG A 27 -23.853 7.905 9.859 1.00 0.62 H new ATOM 0 HH11 ARG A 27 -25.504 9.457 12.569 1.00 0.84 H new ATOM 0 HH12 ARG A 27 -26.826 10.060 11.564 1.00 0.84 H new ATOM 0 HH21 ARG A 27 -25.562 8.665 8.588 1.00 0.77 H new ATOM 0 HH22 ARG A 27 -26.859 9.614 9.322 1.00 0.77 H new ATOM 138 N ALA A 28 -18.976 4.606 10.341 1.00 0.44 N ATOM 139 CA ALA A 28 -18.562 3.258 9.985 1.00 0.43 C ATOM 140 C ALA A 28 -17.714 2.662 11.092 1.00 0.42 C ATOM 141 O ALA A 28 -16.981 3.376 11.784 1.00 0.44 O ATOM 142 CB ALA A 28 -17.798 3.258 8.669 1.00 0.42 C ATOM 0 H ALA A 28 -18.322 5.101 10.948 1.00 0.44 H new ATOM 0 HA ALA A 28 -19.454 2.645 9.859 1.00 0.43 H new ATOM 0 HB1 ALA A 28 -17.498 2.239 8.422 1.00 0.42 H new ATOM 0 HB2 ALA A 28 -18.437 3.650 7.877 1.00 0.42 H new ATOM 0 HB3 ALA A 28 -16.911 3.885 8.763 1.00 0.42 H new ATOM 148 N GLY A 29 -17.814 1.357 11.258 1.00 0.43 N ATOM 149 CA GLY A 29 -17.055 0.685 12.283 1.00 0.43 C ATOM 150 C GLY A 29 -15.771 0.094 11.742 1.00 0.41 C ATOM 151 O GLY A 29 -15.703 -0.280 10.569 1.00 0.46 O ATOM 0 H GLY A 29 -18.411 0.748 10.698 1.00 0.43 H new ATOM 0 HA2 GLY A 29 -16.822 1.389 13.082 1.00 0.43 H new ATOM 0 HA3 GLY A 29 -17.661 -0.107 12.723 1.00 0.43 H new ATOM 155 N LYS A 30 -14.759 0.004 12.586 1.00 0.42 N ATOM 156 CA LYS A 30 -13.474 -0.540 12.175 1.00 0.42 C ATOM 157 C LYS A 30 -13.262 -1.927 12.769 1.00 0.41 C ATOM 158 O LYS A 30 -14.081 -2.415 13.552 1.00 0.45 O ATOM 159 CB LYS A 30 -12.335 0.388 12.600 1.00 0.48 C ATOM 160 CG LYS A 30 -12.199 0.535 14.104 1.00 0.54 C ATOM 161 CD LYS A 30 -10.817 1.033 14.495 1.00 0.67 C ATOM 162 CE LYS A 30 -10.740 1.324 15.983 1.00 0.70 C ATOM 163 NZ LYS A 30 -9.357 1.638 16.427 1.00 0.60 N ATOM 0 H LYS A 30 -14.801 0.300 13.561 1.00 0.42 H new ATOM 0 HA LYS A 30 -13.475 -0.621 11.088 1.00 0.42 H new ATOM 0 HB2 LYS A 30 -11.397 0.008 12.194 1.00 0.48 H new ATOM 0 HB3 LYS A 30 -12.496 1.372 12.160 1.00 0.48 H new ATOM 0 HG2 LYS A 30 -12.954 1.230 14.472 1.00 0.54 H new ATOM 0 HG3 LYS A 30 -12.389 -0.426 14.583 1.00 0.54 H new ATOM 0 HD2 LYS A 30 -10.069 0.286 14.229 1.00 0.67 H new ATOM 0 HD3 LYS A 30 -10.580 1.936 13.932 1.00 0.67 H new ATOM 0 HE2 LYS A 30 -11.394 2.163 16.221 1.00 0.70 H new ATOM 0 HE3 LYS A 30 -11.111 0.463 16.539 1.00 0.70 H new ATOM 0 HZ1 LYS A 30 -9.366 1.895 17.435 1.00 0.60 H new ATOM 0 HZ2 LYS A 30 -8.750 0.805 16.288 1.00 0.60 H new ATOM 0 HZ3 LYS A 30 -8.986 2.434 15.870 1.00 0.60 H new ATOM 177 N MET A 31 -12.162 -2.561 12.391 1.00 0.43 N ATOM 178 CA MET A 31 -11.833 -3.887 12.888 1.00 0.44 C ATOM 179 C MET A 31 -10.392 -3.907 13.378 1.00 0.46 C ATOM 180 O MET A 31 -9.583 -3.072 12.982 1.00 0.55 O ATOM 181 CB MET A 31 -12.039 -4.943 11.794 1.00 0.46 C ATOM 182 CG MET A 31 -13.417 -4.898 11.152 1.00 0.47 C ATOM 183 SD MET A 31 -13.846 -6.428 10.297 1.00 0.54 S ATOM 184 CE MET A 31 -15.460 -6.006 9.640 1.00 0.61 C ATOM 0 H MET A 31 -11.480 -2.175 11.738 1.00 0.43 H new ATOM 0 HA MET A 31 -12.497 -4.126 13.719 1.00 0.44 H new ATOM 0 HB2 MET A 31 -11.283 -4.805 11.021 1.00 0.46 H new ATOM 0 HB3 MET A 31 -11.880 -5.933 12.222 1.00 0.46 H new ATOM 0 HG2 MET A 31 -14.163 -4.696 11.920 1.00 0.47 H new ATOM 0 HG3 MET A 31 -13.455 -4.070 10.445 1.00 0.47 H new ATOM 0 HE1 MET A 31 -15.859 -6.854 9.083 1.00 0.61 H new ATOM 0 HE2 MET A 31 -16.134 -5.761 10.461 1.00 0.61 H new ATOM 0 HE3 MET A 31 -15.369 -5.146 8.976 1.00 0.61 H new ATOM 194 N SER A 32 -10.076 -4.858 14.239 1.00 0.49 N ATOM 195 CA SER A 32 -8.731 -4.975 14.784 1.00 0.52 C ATOM 196 C SER A 32 -8.233 -6.413 14.676 1.00 0.52 C ATOM 197 O SER A 32 -9.029 -7.354 14.707 1.00 0.54 O ATOM 198 CB SER A 32 -8.726 -4.510 16.242 1.00 0.59 C ATOM 199 OG SER A 32 -9.987 -4.741 16.850 1.00 0.93 O ATOM 0 H SER A 32 -10.732 -5.562 14.577 1.00 0.49 H new ATOM 0 HA SER A 32 -8.057 -4.341 14.208 1.00 0.52 H new ATOM 0 HB2 SER A 32 -7.949 -5.039 16.794 1.00 0.59 H new ATOM 0 HB3 SER A 32 -8.484 -3.448 16.289 1.00 0.59 H new ATOM 0 HG SER A 32 -9.961 -4.438 17.782 1.00 0.93 H new ATOM 205 N LEU A 33 -6.925 -6.582 14.544 1.00 0.54 N ATOM 206 CA LEU A 33 -6.339 -7.908 14.432 1.00 0.56 C ATOM 207 C LEU A 33 -5.990 -8.451 15.810 1.00 0.58 C ATOM 208 O LEU A 33 -4.894 -8.226 16.322 1.00 0.63 O ATOM 209 CB LEU A 33 -5.090 -7.874 13.545 1.00 0.58 C ATOM 210 CG LEU A 33 -4.450 -9.237 13.274 1.00 0.61 C ATOM 211 CD1 LEU A 33 -5.337 -10.073 12.368 1.00 0.62 C ATOM 212 CD2 LEU A 33 -3.069 -9.068 12.658 1.00 0.67 C ATOM 0 H LEU A 33 -6.251 -5.817 14.512 1.00 0.54 H new ATOM 0 HA LEU A 33 -7.073 -8.568 13.970 1.00 0.56 H new ATOM 0 HB2 LEU A 33 -5.353 -7.417 12.591 1.00 0.58 H new ATOM 0 HB3 LEU A 33 -4.348 -7.228 14.014 1.00 0.58 H new ATOM 0 HG LEU A 33 -4.341 -9.758 14.225 1.00 0.61 H new ATOM 0 HD11 LEU A 33 -4.865 -11.039 12.187 1.00 0.62 H new ATOM 0 HD12 LEU A 33 -6.304 -10.226 12.846 1.00 0.62 H new ATOM 0 HD13 LEU A 33 -5.479 -9.555 11.420 1.00 0.62 H new ATOM 0 HD21 LEU A 33 -2.631 -10.049 12.473 1.00 0.67 H new ATOM 0 HD22 LEU A 33 -3.154 -8.525 11.717 1.00 0.67 H new ATOM 0 HD23 LEU A 33 -2.431 -8.509 13.343 1.00 0.67 H new ATOM 224 N LYS A 34 -6.937 -9.151 16.414 1.00 0.59 N ATOM 225 CA LYS A 34 -6.728 -9.727 17.732 1.00 0.63 C ATOM 226 C LYS A 34 -5.993 -11.049 17.610 1.00 0.65 C ATOM 227 O LYS A 34 -6.598 -12.079 17.305 1.00 0.68 O ATOM 228 CB LYS A 34 -8.060 -9.932 18.455 1.00 0.66 C ATOM 229 CG LYS A 34 -8.721 -8.634 18.890 1.00 0.68 C ATOM 230 CD LYS A 34 -9.932 -8.894 19.775 1.00 0.76 C ATOM 231 CE LYS A 34 -10.654 -7.605 20.132 1.00 0.84 C ATOM 232 NZ LYS A 34 -11.780 -7.844 21.073 1.00 1.01 N ATOM 0 H LYS A 34 -7.857 -9.334 16.013 1.00 0.59 H new ATOM 0 HA LYS A 34 -6.124 -9.034 18.318 1.00 0.63 H new ATOM 0 HB2 LYS A 34 -8.740 -10.475 17.799 1.00 0.66 H new ATOM 0 HB3 LYS A 34 -7.896 -10.558 19.332 1.00 0.66 H new ATOM 0 HG2 LYS A 34 -8.000 -8.020 19.430 1.00 0.68 H new ATOM 0 HG3 LYS A 34 -9.027 -8.068 18.010 1.00 0.68 H new ATOM 0 HD2 LYS A 34 -10.620 -9.566 19.262 1.00 0.76 H new ATOM 0 HD3 LYS A 34 -9.614 -9.398 20.688 1.00 0.76 H new ATOM 0 HE2 LYS A 34 -9.948 -6.906 20.580 1.00 0.84 H new ATOM 0 HE3 LYS A 34 -11.033 -7.137 19.223 1.00 0.84 H new ATOM 0 HZ1 LYS A 34 -12.247 -6.941 21.292 1.00 1.01 H new ATOM 0 HZ2 LYS A 34 -12.466 -8.492 20.636 1.00 1.01 H new ATOM 0 HZ3 LYS A 34 -11.415 -8.267 21.950 1.00 1.01 H new ATOM 246 N GLY A 35 -4.685 -11.007 17.817 1.00 0.66 N ATOM 247 CA GLY A 35 -3.879 -12.204 17.729 1.00 0.70 C ATOM 248 C GLY A 35 -3.694 -12.660 16.297 1.00 0.70 C ATOM 249 O GLY A 35 -2.657 -12.415 15.683 1.00 0.75 O ATOM 0 H GLY A 35 -4.166 -10.159 18.046 1.00 0.66 H new ATOM 0 HA2 GLY A 35 -2.904 -12.018 18.179 1.00 0.70 H new ATOM 0 HA3 GLY A 35 -4.349 -13.001 18.305 1.00 0.70 H new ATOM 253 N THR A 36 -4.704 -13.326 15.770 1.00 0.68 N ATOM 254 CA THR A 36 -4.671 -13.811 14.404 1.00 0.70 C ATOM 255 C THR A 36 -6.075 -13.819 13.802 1.00 0.68 C ATOM 256 O THR A 36 -6.292 -14.310 12.695 1.00 0.72 O ATOM 257 CB THR A 36 -4.051 -15.227 14.334 1.00 0.75 C ATOM 258 OG1 THR A 36 -3.812 -15.595 12.971 1.00 0.82 O ATOM 259 CG2 THR A 36 -4.956 -16.263 14.991 1.00 0.77 C ATOM 0 H THR A 36 -5.564 -13.545 16.273 1.00 0.68 H new ATOM 0 HA THR A 36 -4.045 -13.134 13.823 1.00 0.70 H new ATOM 0 HB THR A 36 -3.106 -15.202 14.877 1.00 0.75 H new ATOM 0 HG1 THR A 36 -4.560 -15.292 12.415 1.00 0.82 H new ATOM 0 HG21 THR A 36 -4.491 -17.247 14.925 1.00 0.77 H new ATOM 0 HG22 THR A 36 -5.106 -16.003 16.039 1.00 0.77 H new ATOM 0 HG23 THR A 36 -5.919 -16.281 14.480 1.00 0.77 H new ATOM 267 N THR A 37 -7.025 -13.252 14.531 1.00 0.66 N ATOM 268 CA THR A 37 -8.400 -13.201 14.078 1.00 0.66 C ATOM 269 C THR A 37 -8.909 -11.763 14.042 1.00 0.61 C ATOM 270 O THR A 37 -8.894 -11.062 15.056 1.00 0.61 O ATOM 271 CB THR A 37 -9.307 -14.054 14.989 1.00 0.71 C ATOM 272 OG1 THR A 37 -8.751 -15.370 15.127 1.00 0.79 O ATOM 273 CG2 THR A 37 -10.719 -14.150 14.425 1.00 0.81 C ATOM 0 H THR A 37 -6.864 -12.821 15.441 1.00 0.66 H new ATOM 0 HA THR A 37 -8.432 -13.608 13.067 1.00 0.66 H new ATOM 0 HB THR A 37 -9.362 -13.572 15.965 1.00 0.71 H new ATOM 0 HG1 THR A 37 -9.328 -15.910 15.707 1.00 0.79 H new ATOM 0 HG21 THR A 37 -11.335 -14.757 15.088 1.00 0.81 H new ATOM 0 HG22 THR A 37 -11.148 -13.151 14.345 1.00 0.81 H new ATOM 0 HG23 THR A 37 -10.686 -14.611 13.438 1.00 0.81 H new ATOM 281 N VAL A 38 -9.341 -11.327 12.865 1.00 0.60 N ATOM 282 CA VAL A 38 -9.863 -9.981 12.691 1.00 0.57 C ATOM 283 C VAL A 38 -11.180 -9.830 13.444 1.00 0.57 C ATOM 284 O VAL A 38 -12.171 -10.488 13.125 1.00 0.64 O ATOM 285 CB VAL A 38 -10.084 -9.641 11.201 1.00 0.57 C ATOM 286 CG1 VAL A 38 -10.537 -8.200 11.043 1.00 0.59 C ATOM 287 CG2 VAL A 38 -8.817 -9.889 10.395 1.00 0.61 C ATOM 0 H VAL A 38 -9.339 -11.890 12.015 1.00 0.60 H new ATOM 0 HA VAL A 38 -9.123 -9.288 13.092 1.00 0.57 H new ATOM 0 HB VAL A 38 -10.867 -10.295 10.818 1.00 0.57 H new ATOM 0 HG11 VAL A 38 -10.687 -7.980 9.986 1.00 0.59 H new ATOM 0 HG12 VAL A 38 -11.473 -8.052 11.581 1.00 0.59 H new ATOM 0 HG13 VAL A 38 -9.776 -7.533 11.448 1.00 0.59 H new ATOM 0 HG21 VAL A 38 -8.997 -9.642 9.349 1.00 0.61 H new ATOM 0 HG22 VAL A 38 -8.012 -9.264 10.781 1.00 0.61 H new ATOM 0 HG23 VAL A 38 -8.533 -10.938 10.477 1.00 0.61 H new ATOM 297 N THR A 39 -11.177 -8.971 14.447 1.00 0.56 N ATOM 298 CA THR A 39 -12.353 -8.743 15.264 1.00 0.58 C ATOM 299 C THR A 39 -12.871 -7.313 15.097 1.00 0.55 C ATOM 300 O THR A 39 -12.136 -6.348 15.317 1.00 0.55 O ATOM 301 CB THR A 39 -12.036 -9.001 16.747 1.00 0.64 C ATOM 302 OG1 THR A 39 -11.309 -10.235 16.878 1.00 0.67 O ATOM 303 CG2 THR A 39 -13.318 -9.057 17.567 1.00 0.74 C ATOM 0 H THR A 39 -10.365 -8.416 14.716 1.00 0.56 H new ATOM 0 HA THR A 39 -13.125 -9.437 14.932 1.00 0.58 H new ATOM 0 HB THR A 39 -11.424 -8.181 17.124 1.00 0.64 H new ATOM 0 HG1 THR A 39 -11.627 -10.720 17.668 1.00 0.67 H new ATOM 0 HG21 THR A 39 -13.073 -9.240 18.613 1.00 0.74 H new ATOM 0 HG22 THR A 39 -13.848 -8.108 17.479 1.00 0.74 H new ATOM 0 HG23 THR A 39 -13.952 -9.862 17.196 1.00 0.74 H new ATOM 311 N PRO A 40 -14.132 -7.156 14.665 1.00 0.55 N ATOM 312 CA PRO A 40 -14.751 -5.843 14.493 1.00 0.54 C ATOM 313 C PRO A 40 -15.067 -5.187 15.834 1.00 0.56 C ATOM 314 O PRO A 40 -15.396 -5.868 16.808 1.00 0.63 O ATOM 315 CB PRO A 40 -16.054 -6.140 13.734 1.00 0.56 C ATOM 316 CG PRO A 40 -15.966 -7.567 13.309 1.00 0.65 C ATOM 317 CD PRO A 40 -15.050 -8.238 14.288 1.00 0.58 C ATOM 0 HA PRO A 40 -14.091 -5.152 13.968 1.00 0.54 H new ATOM 0 HB2 PRO A 40 -16.923 -5.976 14.371 1.00 0.56 H new ATOM 0 HB3 PRO A 40 -16.162 -5.482 12.872 1.00 0.56 H new ATOM 0 HG2 PRO A 40 -16.950 -8.036 13.312 1.00 0.65 H new ATOM 0 HG3 PRO A 40 -15.578 -7.648 12.294 1.00 0.65 H new ATOM 0 HD2 PRO A 40 -15.593 -8.627 15.149 1.00 0.58 H new ATOM 0 HD3 PRO A 40 -14.522 -9.079 13.838 1.00 0.58 H new ATOM 325 N ASP A 41 -14.959 -3.868 15.887 1.00 0.53 N ATOM 326 CA ASP A 41 -15.246 -3.129 17.108 1.00 0.56 C ATOM 327 C ASP A 41 -16.717 -2.729 17.118 1.00 0.58 C ATOM 328 O ASP A 41 -17.284 -2.408 16.070 1.00 0.66 O ATOM 329 CB ASP A 41 -14.349 -1.892 17.205 1.00 0.57 C ATOM 330 CG ASP A 41 -14.138 -1.427 18.632 1.00 0.61 C ATOM 331 OD1 ASP A 41 -15.138 -1.186 19.342 1.00 0.64 O ATOM 332 OD2 ASP A 41 -12.969 -1.297 19.050 1.00 0.68 O ATOM 0 H ASP A 41 -14.675 -3.287 15.099 1.00 0.53 H new ATOM 0 HA ASP A 41 -15.042 -3.761 17.972 1.00 0.56 H new ATOM 0 HB2 ASP A 41 -13.382 -2.114 16.754 1.00 0.57 H new ATOM 0 HB3 ASP A 41 -14.792 -1.082 16.626 1.00 0.57 H new ATOM 337 N LYS A 42 -17.337 -2.759 18.288 1.00 0.61 N ATOM 338 CA LYS A 42 -18.751 -2.420 18.411 1.00 0.64 C ATOM 339 C LYS A 42 -18.950 -0.932 18.688 1.00 0.64 C ATOM 340 O LYS A 42 -20.084 -0.444 18.723 1.00 0.76 O ATOM 341 CB LYS A 42 -19.407 -3.241 19.524 1.00 0.71 C ATOM 342 CG LYS A 42 -19.351 -4.745 19.299 1.00 0.72 C ATOM 343 CD LYS A 42 -20.218 -5.491 20.297 1.00 0.84 C ATOM 344 CE LYS A 42 -20.060 -6.999 20.155 1.00 0.90 C ATOM 345 NZ LYS A 42 -18.717 -7.466 20.593 1.00 1.08 N ATOM 0 H LYS A 42 -16.886 -3.014 19.166 1.00 0.61 H new ATOM 0 HA LYS A 42 -19.225 -2.658 17.459 1.00 0.64 H new ATOM 0 HB2 LYS A 42 -18.919 -3.007 20.470 1.00 0.71 H new ATOM 0 HB3 LYS A 42 -20.449 -2.937 19.620 1.00 0.71 H new ATOM 0 HG2 LYS A 42 -19.681 -4.975 18.286 1.00 0.72 H new ATOM 0 HG3 LYS A 42 -18.320 -5.088 19.384 1.00 0.72 H new ATOM 0 HD2 LYS A 42 -19.950 -5.190 21.310 1.00 0.84 H new ATOM 0 HD3 LYS A 42 -21.263 -5.218 20.149 1.00 0.84 H new ATOM 0 HE2 LYS A 42 -20.827 -7.500 20.745 1.00 0.90 H new ATOM 0 HE3 LYS A 42 -20.221 -7.283 19.115 1.00 0.90 H new ATOM 0 HZ1 LYS A 42 -18.719 -8.503 20.673 1.00 1.08 H new ATOM 0 HZ2 LYS A 42 -18.003 -7.174 19.895 1.00 1.08 H new ATOM 0 HZ3 LYS A 42 -18.488 -7.048 21.517 1.00 1.08 H new ATOM 359 N ARG A 43 -17.856 -0.213 18.889 1.00 0.58 N ATOM 360 CA ARG A 43 -17.926 1.216 19.164 1.00 0.58 C ATOM 361 C ARG A 43 -18.335 2.002 17.926 1.00 0.55 C ATOM 362 O ARG A 43 -18.051 1.598 16.794 1.00 0.55 O ATOM 363 CB ARG A 43 -16.580 1.727 19.670 1.00 0.58 C ATOM 364 CG ARG A 43 -16.294 1.362 21.112 1.00 0.60 C ATOM 365 CD ARG A 43 -14.902 1.805 21.520 1.00 0.60 C ATOM 366 NE ARG A 43 -13.875 1.173 20.694 1.00 0.57 N ATOM 367 CZ ARG A 43 -12.732 1.757 20.349 1.00 0.57 C ATOM 368 NH1 ARG A 43 -12.466 2.996 20.735 1.00 0.62 N ATOM 369 NH2 ARG A 43 -11.865 1.109 19.587 1.00 0.57 N ATOM 0 H ARG A 43 -16.910 -0.594 18.867 1.00 0.58 H new ATOM 0 HA ARG A 43 -18.684 1.365 19.933 1.00 0.58 H new ATOM 0 HB2 ARG A 43 -15.788 1.325 19.039 1.00 0.58 H new ATOM 0 HB3 ARG A 43 -16.551 2.812 19.566 1.00 0.58 H new ATOM 0 HG2 ARG A 43 -17.033 1.829 21.762 1.00 0.60 H new ATOM 0 HG3 ARG A 43 -16.390 0.284 21.244 1.00 0.60 H new ATOM 0 HD2 ARG A 43 -14.824 2.889 21.433 1.00 0.60 H new ATOM 0 HD3 ARG A 43 -14.732 1.556 22.567 1.00 0.60 H new ATOM 0 HE ARG A 43 -14.046 0.224 20.361 1.00 0.57 H new ATOM 0 HH11 ARG A 43 -13.141 3.510 21.302 1.00 0.62 H new ATOM 0 HH12 ARG A 43 -11.586 3.436 20.466 1.00 0.62 H new ATOM 0 HH21 ARG A 43 -12.075 0.164 19.266 1.00 0.57 H new ATOM 0 HH22 ARG A 43 -10.987 1.555 19.321 1.00 0.57 H new ATOM 383 N LYS A 44 -19.015 3.116 18.148 1.00 0.57 N ATOM 384 CA LYS A 44 -19.442 3.980 17.063 1.00 0.56 C ATOM 385 C LYS A 44 -18.313 4.946 16.726 1.00 0.53 C ATOM 386 O LYS A 44 -17.933 5.774 17.552 1.00 0.59 O ATOM 387 CB LYS A 44 -20.696 4.764 17.456 1.00 0.62 C ATOM 388 CG LYS A 44 -21.867 3.892 17.884 1.00 0.70 C ATOM 389 CD LYS A 44 -22.976 4.733 18.496 1.00 0.79 C ATOM 390 CE LYS A 44 -24.142 3.877 18.973 1.00 0.93 C ATOM 391 NZ LYS A 44 -25.227 4.702 19.574 1.00 1.07 N ATOM 0 H LYS A 44 -19.283 3.443 19.076 1.00 0.57 H new ATOM 0 HA LYS A 44 -19.682 3.368 16.193 1.00 0.56 H new ATOM 0 HB2 LYS A 44 -20.446 5.443 18.271 1.00 0.62 H new ATOM 0 HB3 LYS A 44 -21.005 5.380 16.612 1.00 0.62 H new ATOM 0 HG2 LYS A 44 -22.252 3.346 17.023 1.00 0.70 H new ATOM 0 HG3 LYS A 44 -21.528 3.150 18.606 1.00 0.70 H new ATOM 0 HD2 LYS A 44 -22.578 5.304 19.335 1.00 0.79 H new ATOM 0 HD3 LYS A 44 -23.332 5.454 17.761 1.00 0.79 H new ATOM 0 HE2 LYS A 44 -24.541 3.307 18.134 1.00 0.93 H new ATOM 0 HE3 LYS A 44 -23.786 3.155 19.708 1.00 0.93 H new ATOM 0 HZ1 LYS A 44 -26.002 4.082 19.886 1.00 1.07 H new ATOM 0 HZ2 LYS A 44 -24.853 5.226 20.390 1.00 1.07 H new ATOM 0 HZ3 LYS A 44 -25.585 5.374 18.866 1.00 1.07 H new ATOM 405 N GLY A 45 -17.766 4.828 15.528 1.00 0.52 N ATOM 406 CA GLY A 45 -16.681 5.697 15.136 1.00 0.51 C ATOM 407 C GLY A 45 -17.015 6.533 13.928 1.00 0.48 C ATOM 408 O GLY A 45 -17.959 6.235 13.194 1.00 0.50 O ATOM 0 H GLY A 45 -18.053 4.149 14.823 1.00 0.52 H new ATOM 0 HA2 GLY A 45 -16.427 6.353 15.968 1.00 0.51 H new ATOM 0 HA3 GLY A 45 -15.797 5.095 14.924 1.00 0.51 H new ATOM 412 N LEU A 46 -16.249 7.584 13.729 1.00 0.46 N ATOM 413 CA LEU A 46 -16.455 8.468 12.598 1.00 0.45 C ATOM 414 C LEU A 46 -15.263 8.388 11.659 1.00 0.41 C ATOM 415 O LEU A 46 -14.140 8.718 12.041 1.00 0.42 O ATOM 416 CB LEU A 46 -16.655 9.911 13.071 1.00 0.47 C ATOM 417 CG LEU A 46 -17.033 10.907 11.969 1.00 0.51 C ATOM 418 CD1 LEU A 46 -18.467 10.681 11.506 1.00 0.56 C ATOM 419 CD2 LEU A 46 -16.844 12.337 12.456 1.00 0.59 C ATOM 0 H LEU A 46 -15.474 7.849 14.337 1.00 0.46 H new ATOM 0 HA LEU A 46 -17.353 8.152 12.067 1.00 0.45 H new ATOM 0 HB2 LEU A 46 -17.434 9.923 13.834 1.00 0.47 H new ATOM 0 HB3 LEU A 46 -15.736 10.252 13.548 1.00 0.47 H new ATOM 0 HG LEU A 46 -16.372 10.743 11.118 1.00 0.51 H new ATOM 0 HD11 LEU A 46 -18.714 11.399 10.724 1.00 0.56 H new ATOM 0 HD12 LEU A 46 -18.568 9.669 11.115 1.00 0.56 H new ATOM 0 HD13 LEU A 46 -19.146 10.814 12.348 1.00 0.56 H new ATOM 0 HD21 LEU A 46 -17.117 13.031 11.661 1.00 0.59 H new ATOM 0 HD22 LEU A 46 -17.479 12.512 13.325 1.00 0.59 H new ATOM 0 HD23 LEU A 46 -15.801 12.493 12.731 1.00 0.59 H new ATOM 431 N VAL A 47 -15.509 7.924 10.441 1.00 0.40 N ATOM 432 CA VAL A 47 -14.460 7.812 9.442 1.00 0.39 C ATOM 433 C VAL A 47 -14.419 9.084 8.615 1.00 0.37 C ATOM 434 O VAL A 47 -15.347 9.372 7.854 1.00 0.40 O ATOM 435 CB VAL A 47 -14.681 6.598 8.514 1.00 0.41 C ATOM 436 CG1 VAL A 47 -13.559 6.489 7.491 1.00 0.57 C ATOM 437 CG2 VAL A 47 -14.786 5.317 9.323 1.00 0.43 C ATOM 0 H VAL A 47 -16.429 7.619 10.123 1.00 0.40 H new ATOM 0 HA VAL A 47 -13.512 7.666 9.960 1.00 0.39 H new ATOM 0 HB VAL A 47 -15.619 6.747 7.980 1.00 0.41 H new ATOM 0 HG11 VAL A 47 -13.735 5.627 6.848 1.00 0.57 H new ATOM 0 HG12 VAL A 47 -13.530 7.394 6.884 1.00 0.57 H new ATOM 0 HG13 VAL A 47 -12.607 6.368 8.007 1.00 0.57 H new ATOM 0 HG21 VAL A 47 -14.942 4.474 8.650 1.00 0.43 H new ATOM 0 HG22 VAL A 47 -13.865 5.166 9.887 1.00 0.43 H new ATOM 0 HG23 VAL A 47 -15.626 5.390 10.013 1.00 0.43 H new ATOM 447 N TYR A 48 -13.357 9.853 8.773 1.00 0.37 N ATOM 448 CA TYR A 48 -13.224 11.106 8.049 1.00 0.37 C ATOM 449 C TYR A 48 -11.840 11.258 7.443 1.00 0.34 C ATOM 450 O TYR A 48 -10.876 10.637 7.893 1.00 0.36 O ATOM 451 CB TYR A 48 -13.518 12.292 8.974 1.00 0.43 C ATOM 452 CG TYR A 48 -12.647 12.332 10.208 1.00 0.44 C ATOM 453 CD1 TYR A 48 -11.405 12.962 10.189 1.00 0.46 C ATOM 454 CD2 TYR A 48 -13.061 11.739 11.390 1.00 0.63 C ATOM 455 CE1 TYR A 48 -10.606 12.994 11.314 1.00 0.54 C ATOM 456 CE2 TYR A 48 -12.269 11.768 12.516 1.00 0.73 C ATOM 457 CZ TYR A 48 -11.045 12.395 12.476 1.00 0.64 C ATOM 458 OH TYR A 48 -10.255 12.421 13.602 1.00 0.78 O ATOM 0 H TYR A 48 -12.577 9.634 9.393 1.00 0.37 H new ATOM 0 HA TYR A 48 -13.950 11.092 7.236 1.00 0.37 H new ATOM 0 HB2 TYR A 48 -13.384 13.218 8.416 1.00 0.43 H new ATOM 0 HB3 TYR A 48 -14.564 12.252 9.279 1.00 0.43 H new ATOM 0 HD1 TYR A 48 -11.062 13.433 9.280 1.00 0.46 H new ATOM 0 HD2 TYR A 48 -14.021 11.246 11.429 1.00 0.63 H new ATOM 0 HE1 TYR A 48 -9.644 13.484 11.284 1.00 0.54 H new ATOM 0 HE2 TYR A 48 -12.608 11.300 13.428 1.00 0.73 H new ATOM 0 HH TYR A 48 -10.732 12.879 14.326 1.00 0.78 H new ATOM 468 N ILE A 49 -11.758 12.092 6.422 1.00 0.33 N ATOM 469 CA ILE A 49 -10.510 12.361 5.742 1.00 0.32 C ATOM 470 C ILE A 49 -10.234 13.858 5.770 1.00 0.30 C ATOM 471 O ILE A 49 -11.060 14.655 5.327 1.00 0.35 O ATOM 472 CB ILE A 49 -10.552 11.859 4.285 1.00 0.37 C ATOM 473 CG1 ILE A 49 -10.662 10.332 4.260 1.00 0.48 C ATOM 474 CG2 ILE A 49 -9.322 12.318 3.521 1.00 0.41 C ATOM 475 CD1 ILE A 49 -11.127 9.774 2.932 1.00 0.69 C ATOM 0 H ILE A 49 -12.557 12.601 6.043 1.00 0.33 H new ATOM 0 HA ILE A 49 -9.710 11.829 6.257 1.00 0.32 H new ATOM 0 HB ILE A 49 -11.430 12.283 3.797 1.00 0.37 H new ATOM 0 HG12 ILE A 49 -9.690 9.903 4.503 1.00 0.48 H new ATOM 0 HG13 ILE A 49 -11.355 10.014 5.039 1.00 0.48 H new ATOM 0 HG21 ILE A 49 -9.373 11.952 2.495 1.00 0.41 H new ATOM 0 HG22 ILE A 49 -9.282 13.407 3.516 1.00 0.41 H new ATOM 0 HG23 ILE A 49 -8.427 11.924 4.002 1.00 0.41 H new ATOM 0 HD11 ILE A 49 -11.180 8.687 2.993 1.00 0.69 H new ATOM 0 HD12 ILE A 49 -12.113 10.173 2.695 1.00 0.69 H new ATOM 0 HD13 ILE A 49 -10.423 10.060 2.151 1.00 0.69 H new ATOM 487 N GLN A 50 -9.086 14.237 6.305 1.00 0.30 N ATOM 488 CA GLN A 50 -8.717 15.642 6.405 1.00 0.33 C ATOM 489 C GLN A 50 -7.415 15.917 5.659 1.00 0.30 C ATOM 490 O GLN A 50 -6.645 15.004 5.383 1.00 0.36 O ATOM 491 CB GLN A 50 -8.571 16.044 7.877 1.00 0.42 C ATOM 492 CG GLN A 50 -8.477 17.548 8.093 1.00 0.51 C ATOM 493 CD GLN A 50 -8.007 17.913 9.487 1.00 0.66 C ATOM 494 OE1 GLN A 50 -7.262 17.166 10.120 1.00 0.82 O ATOM 495 NE2 GLN A 50 -8.431 19.070 9.970 1.00 0.86 N ATOM 0 H GLN A 50 -8.391 13.591 6.678 1.00 0.30 H new ATOM 0 HA GLN A 50 -9.508 16.236 5.947 1.00 0.33 H new ATOM 0 HB2 GLN A 50 -9.423 15.658 8.436 1.00 0.42 H new ATOM 0 HB3 GLN A 50 -7.679 15.570 8.287 1.00 0.42 H new ATOM 0 HG2 GLN A 50 -7.791 17.973 7.360 1.00 0.51 H new ATOM 0 HG3 GLN A 50 -9.454 17.998 7.914 1.00 0.51 H new ATOM 0 HE21 GLN A 50 -9.048 19.660 9.412 1.00 0.86 H new ATOM 0 HE22 GLN A 50 -8.140 19.372 10.900 1.00 0.86 H new ATOM 504 N GLN A 51 -7.185 17.179 5.327 1.00 0.37 N ATOM 505 CA GLN A 51 -5.976 17.579 4.633 1.00 0.37 C ATOM 506 C GLN A 51 -5.308 18.717 5.398 1.00 0.39 C ATOM 507 O GLN A 51 -5.921 19.762 5.634 1.00 0.51 O ATOM 508 CB GLN A 51 -6.303 18.015 3.206 1.00 0.44 C ATOM 509 CG GLN A 51 -5.124 17.929 2.253 1.00 0.52 C ATOM 510 CD GLN A 51 -5.513 18.250 0.820 1.00 0.72 C ATOM 511 OE1 GLN A 51 -6.435 19.029 0.573 1.00 0.91 O ATOM 512 NE2 GLN A 51 -4.820 17.645 -0.131 1.00 0.93 N ATOM 0 H GLN A 51 -7.826 17.946 5.530 1.00 0.37 H new ATOM 0 HA GLN A 51 -5.292 16.732 4.582 1.00 0.37 H new ATOM 0 HB2 GLN A 51 -7.113 17.395 2.823 1.00 0.44 H new ATOM 0 HB3 GLN A 51 -6.669 19.042 3.225 1.00 0.44 H new ATOM 0 HG2 GLN A 51 -4.346 18.619 2.579 1.00 0.52 H new ATOM 0 HG3 GLN A 51 -4.699 16.926 2.295 1.00 0.52 H new ATOM 0 HE21 GLN A 51 -4.064 17.007 0.117 1.00 0.93 H new ATOM 0 HE22 GLN A 51 -5.042 17.817 -1.112 1.00 0.93 H new ATOM 521 N THR A 52 -4.068 18.504 5.804 1.00 0.38 N ATOM 522 CA THR A 52 -3.332 19.504 6.558 1.00 0.45 C ATOM 523 C THR A 52 -2.596 20.475 5.634 1.00 0.36 C ATOM 524 O THR A 52 -2.752 20.431 4.411 1.00 0.33 O ATOM 525 CB THR A 52 -2.326 18.824 7.500 1.00 0.59 C ATOM 526 OG1 THR A 52 -2.182 17.446 7.132 1.00 0.65 O ATOM 527 CG2 THR A 52 -2.779 18.919 8.949 1.00 0.80 C ATOM 0 H THR A 52 -3.549 17.645 5.623 1.00 0.38 H new ATOM 0 HA THR A 52 -4.054 20.073 7.144 1.00 0.45 H new ATOM 0 HB THR A 52 -1.369 19.337 7.407 1.00 0.59 H new ATOM 0 HG1 THR A 52 -1.595 17.376 6.350 1.00 0.65 H new ATOM 0 HG21 THR A 52 -2.047 18.429 9.592 1.00 0.80 H new ATOM 0 HG22 THR A 52 -2.869 19.967 9.234 1.00 0.80 H new ATOM 0 HG23 THR A 52 -3.746 18.429 9.061 1.00 0.80 H new ATOM 535 N ASP A 53 -1.782 21.342 6.235 1.00 0.40 N ATOM 536 CA ASP A 53 -1.012 22.336 5.489 1.00 0.41 C ATOM 537 C ASP A 53 0.113 21.678 4.704 1.00 0.39 C ATOM 538 O ASP A 53 0.746 22.312 3.864 1.00 0.52 O ATOM 539 CB ASP A 53 -0.431 23.394 6.433 1.00 0.52 C ATOM 540 CG ASP A 53 0.589 22.831 7.403 1.00 0.62 C ATOM 541 OD1 ASP A 53 0.187 22.108 8.342 1.00 0.77 O ATOM 542 OD2 ASP A 53 1.794 23.119 7.240 1.00 0.74 O ATOM 0 H ASP A 53 -1.638 21.375 7.244 1.00 0.40 H new ATOM 0 HA ASP A 53 -1.692 22.821 4.788 1.00 0.41 H new ATOM 0 HB2 ASP A 53 0.035 24.182 5.842 1.00 0.52 H new ATOM 0 HB3 ASP A 53 -1.243 23.855 6.996 1.00 0.52 H new ATOM 547 N ASP A 54 0.351 20.405 4.984 1.00 0.42 N ATOM 548 CA ASP A 54 1.387 19.642 4.301 1.00 0.55 C ATOM 549 C ASP A 54 0.840 19.066 3.001 1.00 0.45 C ATOM 550 O ASP A 54 1.563 18.419 2.242 1.00 0.52 O ATOM 551 CB ASP A 54 1.913 18.513 5.202 1.00 0.73 C ATOM 552 CG ASP A 54 0.809 17.745 5.910 1.00 0.74 C ATOM 553 OD1 ASP A 54 -0.297 17.609 5.340 1.00 0.65 O ATOM 554 OD2 ASP A 54 1.038 17.289 7.052 1.00 1.10 O ATOM 0 H ASP A 54 -0.164 19.874 5.686 1.00 0.42 H new ATOM 0 HA ASP A 54 2.216 20.312 4.071 1.00 0.55 H new ATOM 0 HB2 ASP A 54 2.499 17.820 4.599 1.00 0.73 H new ATOM 0 HB3 ASP A 54 2.587 18.936 5.947 1.00 0.73 H new ATOM 559 N SER A 55 -0.452 19.309 2.766 1.00 0.36 N ATOM 560 CA SER A 55 -1.149 18.842 1.569 1.00 0.40 C ATOM 561 C SER A 55 -1.277 17.318 1.559 1.00 0.37 C ATOM 562 O SER A 55 -1.604 16.720 0.530 1.00 0.52 O ATOM 563 CB SER A 55 -0.427 19.318 0.303 1.00 0.57 C ATOM 564 OG SER A 55 -0.229 20.722 0.327 1.00 0.66 O ATOM 0 H SER A 55 -1.045 19.838 3.405 1.00 0.36 H new ATOM 0 HA SER A 55 -2.152 19.268 1.585 1.00 0.40 H new ATOM 0 HB2 SER A 55 0.535 18.813 0.217 1.00 0.57 H new ATOM 0 HB3 SER A 55 -1.010 19.045 -0.577 1.00 0.57 H new ATOM 0 HG SER A 55 0.235 21.001 -0.490 1.00 0.66 H new ATOM 570 N LEU A 56 -1.042 16.698 2.710 1.00 0.28 N ATOM 571 CA LEU A 56 -1.125 15.252 2.824 1.00 0.31 C ATOM 572 C LEU A 56 -2.509 14.831 3.291 1.00 0.27 C ATOM 573 O LEU A 56 -3.080 15.432 4.206 1.00 0.30 O ATOM 574 CB LEU A 56 -0.064 14.725 3.793 1.00 0.38 C ATOM 575 CG LEU A 56 1.374 15.162 3.500 1.00 0.40 C ATOM 576 CD1 LEU A 56 2.337 14.491 4.467 1.00 0.49 C ATOM 577 CD2 LEU A 56 1.749 14.839 2.064 1.00 0.48 C ATOM 0 H LEU A 56 -0.793 17.177 3.576 1.00 0.28 H new ATOM 0 HA LEU A 56 -0.942 14.824 1.838 1.00 0.31 H new ATOM 0 HB2 LEU A 56 -0.325 15.049 4.801 1.00 0.38 H new ATOM 0 HB3 LEU A 56 -0.102 13.636 3.788 1.00 0.38 H new ATOM 0 HG LEU A 56 1.442 16.241 3.636 1.00 0.40 H new ATOM 0 HD11 LEU A 56 3.355 14.811 4.247 1.00 0.49 H new ATOM 0 HD12 LEU A 56 2.081 14.772 5.489 1.00 0.49 H new ATOM 0 HD13 LEU A 56 2.265 13.409 4.359 1.00 0.49 H new ATOM 0 HD21 LEU A 56 2.774 15.157 1.875 1.00 0.48 H new ATOM 0 HD22 LEU A 56 1.666 13.765 1.899 1.00 0.48 H new ATOM 0 HD23 LEU A 56 1.076 15.363 1.385 1.00 0.48 H new ATOM 589 N ILE A 57 -3.046 13.803 2.648 1.00 0.27 N ATOM 590 CA ILE A 57 -4.360 13.283 2.984 1.00 0.26 C ATOM 591 C ILE A 57 -4.297 12.456 4.269 1.00 0.24 C ATOM 592 O ILE A 57 -3.557 11.477 4.352 1.00 0.29 O ATOM 593 CB ILE A 57 -4.923 12.424 1.831 1.00 0.30 C ATOM 594 CG1 ILE A 57 -5.155 13.288 0.583 1.00 0.45 C ATOM 595 CG2 ILE A 57 -6.210 11.736 2.254 1.00 0.35 C ATOM 596 CD1 ILE A 57 -6.218 14.355 0.760 1.00 0.57 C ATOM 0 H ILE A 57 -2.585 13.310 1.884 1.00 0.27 H new ATOM 0 HA ILE A 57 -5.027 14.131 3.142 1.00 0.26 H new ATOM 0 HB ILE A 57 -4.191 11.654 1.586 1.00 0.30 H new ATOM 0 HG12 ILE A 57 -4.216 13.768 0.306 1.00 0.45 H new ATOM 0 HG13 ILE A 57 -5.439 12.641 -0.247 1.00 0.45 H new ATOM 0 HG21 ILE A 57 -6.590 11.136 1.427 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -6.013 11.091 3.110 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -6.951 12.487 2.528 1.00 0.35 H new ATOM 0 HD11 ILE A 57 -6.322 14.922 -0.165 1.00 0.57 H new ATOM 0 HD12 ILE A 57 -7.170 13.883 1.006 1.00 0.57 H new ATOM 0 HD13 ILE A 57 -5.927 15.028 1.567 1.00 0.57 H new ATOM 608 N HIS A 58 -5.067 12.859 5.267 1.00 0.25 N ATOM 609 CA HIS A 58 -5.086 12.165 6.543 1.00 0.27 C ATOM 610 C HIS A 58 -6.358 11.349 6.711 1.00 0.27 C ATOM 611 O HIS A 58 -7.465 11.872 6.601 1.00 0.33 O ATOM 612 CB HIS A 58 -4.971 13.157 7.700 1.00 0.32 C ATOM 613 CG HIS A 58 -3.564 13.479 8.090 1.00 0.39 C ATOM 614 ND1 HIS A 58 -2.915 12.863 9.138 1.00 0.51 N ATOM 615 CD2 HIS A 58 -2.687 14.374 7.579 1.00 0.48 C ATOM 616 CE1 HIS A 58 -1.700 13.368 9.256 1.00 0.61 C ATOM 617 NE2 HIS A 58 -1.538 14.285 8.322 1.00 0.59 N ATOM 0 H HIS A 58 -5.689 13.666 5.217 1.00 0.25 H new ATOM 0 HA HIS A 58 -4.230 11.490 6.555 1.00 0.27 H new ATOM 0 HB2 HIS A 58 -5.481 14.080 7.425 1.00 0.32 H new ATOM 0 HB3 HIS A 58 -5.493 12.751 8.566 1.00 0.32 H new ATOM 0 HD1 HIS A 58 -3.310 12.132 9.730 1.00 0.51 H new ATOM 0 HD2 HIS A 58 -2.860 15.035 6.742 1.00 0.48 H new ATOM 0 HE1 HIS A 58 -0.964 13.079 9.992 1.00 0.61 H new ATOM 626 N PHE A 59 -6.182 10.067 6.964 1.00 0.27 N ATOM 627 CA PHE A 59 -7.291 9.157 7.187 1.00 0.28 C ATOM 628 C PHE A 59 -7.289 8.777 8.660 1.00 0.31 C ATOM 629 O PHE A 59 -6.449 7.985 9.099 1.00 0.36 O ATOM 630 CB PHE A 59 -7.144 7.914 6.306 1.00 0.31 C ATOM 631 CG PHE A 59 -8.340 7.000 6.317 1.00 0.45 C ATOM 632 CD1 PHE A 59 -8.502 6.058 7.321 1.00 0.63 C ATOM 633 CD2 PHE A 59 -9.296 7.079 5.318 1.00 0.69 C ATOM 634 CE1 PHE A 59 -9.593 5.213 7.329 1.00 0.84 C ATOM 635 CE2 PHE A 59 -10.392 6.237 5.323 1.00 0.92 C ATOM 636 CZ PHE A 59 -10.540 5.302 6.329 1.00 0.94 C ATOM 0 H PHE A 59 -5.265 9.625 7.021 1.00 0.27 H new ATOM 0 HA PHE A 59 -8.235 9.634 6.925 1.00 0.28 H new ATOM 0 HB2 PHE A 59 -6.953 8.231 5.281 1.00 0.31 H new ATOM 0 HB3 PHE A 59 -6.269 7.352 6.634 1.00 0.31 H new ATOM 0 HD1 PHE A 59 -7.765 5.984 8.107 1.00 0.63 H new ATOM 0 HD2 PHE A 59 -9.184 7.806 4.527 1.00 0.69 H new ATOM 0 HE1 PHE A 59 -9.706 4.483 8.117 1.00 0.84 H new ATOM 0 HE2 PHE A 59 -11.133 6.310 4.540 1.00 0.92 H new ATOM 0 HZ PHE A 59 -11.395 4.642 6.333 1.00 0.94 H new ATOM 646 N CYS A 60 -8.209 9.343 9.424 1.00 0.33 N ATOM 647 CA CYS A 60 -8.248 9.084 10.850 1.00 0.38 C ATOM 648 C CYS A 60 -9.595 8.550 11.317 1.00 0.38 C ATOM 649 O CYS A 60 -10.643 8.867 10.752 1.00 0.40 O ATOM 650 CB CYS A 60 -7.921 10.368 11.619 1.00 0.43 C ATOM 651 SG CYS A 60 -6.961 11.577 10.678 1.00 0.46 S ATOM 0 H CYS A 60 -8.931 9.978 9.083 1.00 0.33 H new ATOM 0 HA CYS A 60 -7.503 8.314 11.052 1.00 0.38 H new ATOM 0 HB2 CYS A 60 -8.853 10.833 11.940 1.00 0.43 H new ATOM 0 HB3 CYS A 60 -7.368 10.106 12.521 1.00 0.43 H new ATOM 0 HG CYS A 60 -5.775 11.100 10.441 1.00 0.46 H new ATOM 657 N TRP A 61 -9.539 7.732 12.360 1.00 0.39 N ATOM 658 CA TRP A 61 -10.720 7.153 12.973 1.00 0.39 C ATOM 659 C TRP A 61 -10.867 7.736 14.370 1.00 0.42 C ATOM 660 O TRP A 61 -9.976 7.584 15.211 1.00 0.45 O ATOM 661 CB TRP A 61 -10.601 5.628 13.042 1.00 0.40 C ATOM 662 CG TRP A 61 -11.888 4.930 13.393 1.00 0.41 C ATOM 663 CD1 TRP A 61 -12.850 4.506 12.524 1.00 0.43 C ATOM 664 CD2 TRP A 61 -12.345 4.577 14.703 1.00 0.43 C ATOM 665 NE1 TRP A 61 -13.880 3.914 13.213 1.00 0.45 N ATOM 666 CE2 TRP A 61 -13.595 3.946 14.554 1.00 0.45 C ATOM 667 CE3 TRP A 61 -11.825 4.738 15.994 1.00 0.46 C ATOM 668 CZ2 TRP A 61 -14.322 3.466 15.640 1.00 0.49 C ATOM 669 CZ3 TRP A 61 -12.549 4.263 17.070 1.00 0.51 C ATOM 670 CH2 TRP A 61 -13.788 3.638 16.889 1.00 0.52 C ATOM 0 H TRP A 61 -8.665 7.452 12.805 1.00 0.39 H new ATOM 0 HA TRP A 61 -11.600 7.389 12.374 1.00 0.39 H new ATOM 0 HB2 TRP A 61 -10.249 5.257 12.079 1.00 0.40 H new ATOM 0 HB3 TRP A 61 -9.844 5.366 13.781 1.00 0.40 H new ATOM 0 HD1 TRP A 61 -12.808 4.619 11.451 1.00 0.43 H new ATOM 0 HE1 TRP A 61 -14.721 3.515 12.795 1.00 0.45 H new ATOM 0 HE3 TRP A 61 -10.873 5.226 16.145 1.00 0.46 H new ATOM 0 HZ2 TRP A 61 -15.274 2.975 15.502 1.00 0.49 H new ATOM 0 HZ3 TRP A 61 -12.152 4.376 18.068 1.00 0.51 H new ATOM 0 HH2 TRP A 61 -14.334 3.284 17.751 1.00 0.52 H new ATOM 681 N LYS A 62 -11.971 8.421 14.612 1.00 0.46 N ATOM 682 CA LYS A 62 -12.200 9.051 15.903 1.00 0.50 C ATOM 683 C LYS A 62 -13.356 8.400 16.650 1.00 0.51 C ATOM 684 O LYS A 62 -14.426 8.166 16.080 1.00 0.51 O ATOM 685 CB LYS A 62 -12.482 10.543 15.698 1.00 0.57 C ATOM 686 CG LYS A 62 -12.650 11.341 16.981 1.00 0.63 C ATOM 687 CD LYS A 62 -12.769 12.829 16.682 1.00 0.75 C ATOM 688 CE LYS A 62 -13.304 13.605 17.878 1.00 0.93 C ATOM 689 NZ LYS A 62 -13.322 15.070 17.626 1.00 1.04 N ATOM 0 H LYS A 62 -12.722 8.556 13.935 1.00 0.46 H new ATOM 0 HA LYS A 62 -11.303 8.922 16.509 1.00 0.50 H new ATOM 0 HB2 LYS A 62 -11.666 10.977 15.121 1.00 0.57 H new ATOM 0 HB3 LYS A 62 -13.387 10.649 15.100 1.00 0.57 H new ATOM 0 HG2 LYS A 62 -13.539 11.000 17.512 1.00 0.63 H new ATOM 0 HG3 LYS A 62 -11.798 11.165 17.638 1.00 0.63 H new ATOM 0 HD2 LYS A 62 -11.792 13.223 16.401 1.00 0.75 H new ATOM 0 HD3 LYS A 62 -13.430 12.976 15.828 1.00 0.75 H new ATOM 0 HE2 LYS A 62 -14.313 13.264 18.110 1.00 0.93 H new ATOM 0 HE3 LYS A 62 -12.688 13.395 18.752 1.00 0.93 H new ATOM 0 HZ1 LYS A 62 -13.693 15.562 18.464 1.00 1.04 H new ATOM 0 HZ2 LYS A 62 -12.356 15.400 17.430 1.00 1.04 H new ATOM 0 HZ3 LYS A 62 -13.930 15.274 16.808 1.00 1.04 H new ATOM 703 N ASP A 63 -13.123 8.097 17.925 1.00 0.53 N ATOM 704 CA ASP A 63 -14.148 7.511 18.780 1.00 0.55 C ATOM 705 C ASP A 63 -15.201 8.576 19.052 1.00 0.57 C ATOM 706 O ASP A 63 -14.862 9.708 19.398 1.00 0.62 O ATOM 707 CB ASP A 63 -13.521 7.016 20.092 1.00 0.61 C ATOM 708 CG ASP A 63 -14.478 6.206 20.952 1.00 0.65 C ATOM 709 OD1 ASP A 63 -15.562 6.718 21.293 1.00 0.92 O ATOM 710 OD2 ASP A 63 -14.141 5.057 21.312 1.00 1.09 O ATOM 0 H ASP A 63 -12.228 8.249 18.389 1.00 0.53 H new ATOM 0 HA ASP A 63 -14.609 6.654 18.289 1.00 0.55 H new ATOM 0 HB2 ASP A 63 -12.647 6.406 19.861 1.00 0.61 H new ATOM 0 HB3 ASP A 63 -13.168 7.874 20.664 1.00 0.61 H new ATOM 715 N ARG A 64 -16.469 8.229 18.889 1.00 0.58 N ATOM 716 CA ARG A 64 -17.547 9.193 19.076 1.00 0.61 C ATOM 717 C ARG A 64 -17.866 9.471 20.545 1.00 0.66 C ATOM 718 O ARG A 64 -18.534 10.461 20.854 1.00 0.75 O ATOM 719 CB ARG A 64 -18.806 8.719 18.361 1.00 0.63 C ATOM 720 CG ARG A 64 -18.726 8.841 16.848 1.00 0.63 C ATOM 721 CD ARG A 64 -20.014 8.379 16.183 1.00 0.65 C ATOM 722 NE ARG A 64 -21.189 9.045 16.742 1.00 0.78 N ATOM 723 CZ ARG A 64 -22.443 8.624 16.565 1.00 0.91 C ATOM 724 NH1 ARG A 64 -22.689 7.530 15.849 1.00 0.99 N ATOM 725 NH2 ARG A 64 -23.445 9.289 17.125 1.00 1.14 N ATOM 0 H ARG A 64 -16.777 7.292 18.629 1.00 0.58 H new ATOM 0 HA ARG A 64 -17.196 10.131 18.645 1.00 0.61 H new ATOM 0 HB2 ARG A 64 -18.994 7.678 18.624 1.00 0.63 H new ATOM 0 HB3 ARG A 64 -19.658 9.297 18.720 1.00 0.63 H new ATOM 0 HG2 ARG A 64 -18.526 9.877 16.575 1.00 0.63 H new ATOM 0 HG3 ARG A 64 -17.891 8.247 16.478 1.00 0.63 H new ATOM 0 HD2 ARG A 64 -19.960 8.577 15.112 1.00 0.65 H new ATOM 0 HD3 ARG A 64 -20.117 7.301 16.303 1.00 0.65 H new ATOM 0 HE ARG A 64 -21.041 9.884 17.303 1.00 0.78 H new ATOM 0 HH11 ARG A 64 -21.917 7.009 15.432 1.00 0.99 H new ATOM 0 HH12 ARG A 64 -23.649 7.212 15.717 1.00 0.99 H new ATOM 0 HH21 ARG A 64 -23.255 10.118 17.688 1.00 1.14 H new ATOM 0 HH22 ARG A 64 -24.405 8.971 16.993 1.00 1.14 H new ATOM 739 N THR A 65 -17.395 8.622 21.444 1.00 0.68 N ATOM 740 CA THR A 65 -17.665 8.805 22.864 1.00 0.74 C ATOM 741 C THR A 65 -16.542 9.571 23.558 1.00 0.75 C ATOM 742 O THR A 65 -16.783 10.598 24.196 1.00 0.83 O ATOM 743 CB THR A 65 -17.885 7.455 23.571 1.00 0.76 C ATOM 744 OG1 THR A 65 -18.855 6.682 22.849 1.00 0.88 O ATOM 745 CG2 THR A 65 -18.362 7.659 25.002 1.00 0.93 C ATOM 0 H THR A 65 -16.828 7.804 21.220 1.00 0.68 H new ATOM 0 HA THR A 65 -18.580 9.393 22.935 1.00 0.74 H new ATOM 0 HB THR A 65 -16.933 6.924 23.596 1.00 0.76 H new ATOM 0 HG1 THR A 65 -18.991 5.823 23.301 1.00 0.88 H new ATOM 0 HG21 THR A 65 -18.510 6.690 25.478 1.00 0.93 H new ATOM 0 HG22 THR A 65 -17.615 8.226 25.557 1.00 0.93 H new ATOM 0 HG23 THR A 65 -19.304 8.208 24.997 1.00 0.93 H new ATOM 753 N SER A 66 -15.315 9.084 23.434 1.00 0.71 N ATOM 754 CA SER A 66 -14.180 9.737 24.067 1.00 0.75 C ATOM 755 C SER A 66 -13.707 10.935 23.245 1.00 0.73 C ATOM 756 O SER A 66 -13.240 11.934 23.797 1.00 0.79 O ATOM 757 CB SER A 66 -13.041 8.736 24.263 1.00 0.75 C ATOM 758 OG SER A 66 -13.049 7.755 23.241 1.00 0.75 O ATOM 0 H SER A 66 -15.082 8.244 22.904 1.00 0.71 H new ATOM 0 HA SER A 66 -14.496 10.106 25.043 1.00 0.75 H new ATOM 0 HB2 SER A 66 -12.086 9.261 24.261 1.00 0.75 H new ATOM 0 HB3 SER A 66 -13.138 8.254 25.236 1.00 0.75 H new ATOM 0 HG SER A 66 -12.311 7.126 23.385 1.00 0.75 H new ATOM 764 N GLY A 67 -13.848 10.836 21.926 1.00 0.67 N ATOM 765 CA GLY A 67 -13.429 11.914 21.054 1.00 0.67 C ATOM 766 C GLY A 67 -11.940 11.873 20.788 1.00 0.65 C ATOM 767 O GLY A 67 -11.320 12.902 20.510 1.00 0.70 O ATOM 0 H GLY A 67 -14.245 10.027 21.448 1.00 0.67 H new ATOM 0 HA2 GLY A 67 -13.969 11.849 20.110 1.00 0.67 H new ATOM 0 HA3 GLY A 67 -13.692 12.870 21.506 1.00 0.67 H new ATOM 771 N ASN A 68 -11.364 10.683 20.869 1.00 0.63 N ATOM 772 CA ASN A 68 -9.937 10.511 20.647 1.00 0.63 C ATOM 773 C ASN A 68 -9.675 9.876 19.291 1.00 0.58 C ATOM 774 O ASN A 68 -10.484 9.085 18.799 1.00 0.58 O ATOM 775 CB ASN A 68 -9.325 9.642 21.751 1.00 0.68 C ATOM 776 CG ASN A 68 -9.392 10.301 23.114 1.00 0.85 C ATOM 777 OD1 ASN A 68 -9.341 11.524 23.231 1.00 1.01 O ATOM 778 ND2 ASN A 68 -9.510 9.496 24.159 1.00 1.01 N ATOM 0 H ASN A 68 -11.864 9.821 21.087 1.00 0.63 H new ATOM 0 HA ASN A 68 -9.471 11.496 20.669 1.00 0.63 H new ATOM 0 HB2 ASN A 68 -9.847 8.686 21.787 1.00 0.68 H new ATOM 0 HB3 ASN A 68 -8.285 9.428 21.505 1.00 0.68 H new ATOM 0 HD21 ASN A 68 -9.562 9.886 25.100 1.00 1.01 H new ATOM 0 HD22 ASN A 68 -9.549 8.486 24.023 1.00 1.01 H new ATOM 785 N VAL A 69 -8.554 10.235 18.683 1.00 0.56 N ATOM 786 CA VAL A 69 -8.175 9.692 17.386 1.00 0.53 C ATOM 787 C VAL A 69 -7.303 8.455 17.579 1.00 0.51 C ATOM 788 O VAL A 69 -6.099 8.561 17.818 1.00 0.59 O ATOM 789 CB VAL A 69 -7.417 10.737 16.542 1.00 0.57 C ATOM 790 CG1 VAL A 69 -7.088 10.183 15.164 1.00 0.60 C ATOM 791 CG2 VAL A 69 -8.226 12.022 16.420 1.00 0.63 C ATOM 0 H VAL A 69 -7.887 10.904 19.069 1.00 0.56 H new ATOM 0 HA VAL A 69 -9.086 9.420 16.853 1.00 0.53 H new ATOM 0 HB VAL A 69 -6.481 10.967 17.051 1.00 0.57 H new ATOM 0 HG11 VAL A 69 -6.554 10.937 14.587 1.00 0.60 H new ATOM 0 HG12 VAL A 69 -6.463 9.296 15.268 1.00 0.60 H new ATOM 0 HG13 VAL A 69 -8.011 9.918 14.648 1.00 0.60 H new ATOM 0 HG21 VAL A 69 -7.672 12.745 15.821 1.00 0.63 H new ATOM 0 HG22 VAL A 69 -9.180 11.807 15.939 1.00 0.63 H new ATOM 0 HG23 VAL A 69 -8.405 12.435 17.413 1.00 0.63 H new ATOM 801 N GLU A 70 -7.916 7.287 17.477 1.00 0.49 N ATOM 802 CA GLU A 70 -7.207 6.031 17.666 1.00 0.51 C ATOM 803 C GLU A 70 -6.264 5.741 16.513 1.00 0.50 C ATOM 804 O GLU A 70 -5.109 5.367 16.720 1.00 0.62 O ATOM 805 CB GLU A 70 -8.193 4.877 17.800 1.00 0.55 C ATOM 806 CG GLU A 70 -9.236 5.087 18.878 1.00 0.81 C ATOM 807 CD GLU A 70 -9.707 3.781 19.471 1.00 0.68 C ATOM 808 OE1 GLU A 70 -9.937 2.822 18.708 1.00 0.69 O ATOM 809 OE2 GLU A 70 -9.852 3.709 20.706 1.00 0.71 O ATOM 0 H GLU A 70 -8.908 7.182 17.263 1.00 0.49 H new ATOM 0 HA GLU A 70 -6.622 6.128 18.580 1.00 0.51 H new ATOM 0 HB2 GLU A 70 -8.696 4.728 16.845 1.00 0.55 H new ATOM 0 HB3 GLU A 70 -7.641 3.962 18.015 1.00 0.55 H new ATOM 0 HG2 GLU A 70 -8.821 5.715 19.667 1.00 0.81 H new ATOM 0 HG3 GLU A 70 -10.088 5.623 18.459 1.00 0.81 H new ATOM 816 N ASP A 71 -6.754 5.917 15.299 1.00 0.47 N ATOM 817 CA ASP A 71 -5.954 5.645 14.112 1.00 0.46 C ATOM 818 C ASP A 71 -5.877 6.879 13.229 1.00 0.43 C ATOM 819 O ASP A 71 -6.869 7.583 13.057 1.00 0.46 O ATOM 820 CB ASP A 71 -6.557 4.472 13.326 1.00 0.51 C ATOM 821 CG ASP A 71 -6.711 3.217 14.169 1.00 0.57 C ATOM 822 OD1 ASP A 71 -5.727 2.453 14.304 1.00 0.73 O ATOM 823 OD2 ASP A 71 -7.817 2.985 14.707 1.00 0.61 O ATOM 0 H ASP A 71 -7.700 6.246 15.106 1.00 0.47 H new ATOM 0 HA ASP A 71 -4.945 5.379 14.427 1.00 0.46 H new ATOM 0 HB2 ASP A 71 -7.532 4.765 12.936 1.00 0.51 H new ATOM 0 HB3 ASP A 71 -5.923 4.252 12.467 1.00 0.51 H new ATOM 828 N ASP A 72 -4.695 7.142 12.688 1.00 0.43 N ATOM 829 CA ASP A 72 -4.470 8.289 11.810 1.00 0.42 C ATOM 830 C ASP A 72 -3.310 7.992 10.867 1.00 0.42 C ATOM 831 O ASP A 72 -2.157 7.906 11.300 1.00 0.52 O ATOM 832 CB ASP A 72 -4.183 9.554 12.633 1.00 0.48 C ATOM 833 CG ASP A 72 -3.524 10.667 11.827 1.00 0.59 C ATOM 834 OD1 ASP A 72 -4.037 11.018 10.742 1.00 0.99 O ATOM 835 OD2 ASP A 72 -2.492 11.211 12.288 1.00 1.05 O ATOM 0 H ASP A 72 -3.865 6.570 12.843 1.00 0.43 H new ATOM 0 HA ASP A 72 -5.371 8.466 11.223 1.00 0.42 H new ATOM 0 HB2 ASP A 72 -5.118 9.925 13.053 1.00 0.48 H new ATOM 0 HB3 ASP A 72 -3.538 9.293 13.472 1.00 0.48 H new ATOM 840 N LEU A 73 -3.618 7.813 9.592 1.00 0.36 N ATOM 841 CA LEU A 73 -2.603 7.505 8.595 1.00 0.38 C ATOM 842 C LEU A 73 -2.617 8.518 7.459 1.00 0.34 C ATOM 843 O LEU A 73 -3.558 9.300 7.314 1.00 0.42 O ATOM 844 CB LEU A 73 -2.820 6.098 8.032 1.00 0.44 C ATOM 845 CG LEU A 73 -2.631 4.958 9.035 1.00 0.66 C ATOM 846 CD1 LEU A 73 -3.067 3.635 8.425 1.00 0.93 C ATOM 847 CD2 LEU A 73 -1.180 4.883 9.487 1.00 0.92 C ATOM 0 H LEU A 73 -4.566 7.876 9.222 1.00 0.36 H new ATOM 0 HA LEU A 73 -1.631 7.553 9.087 1.00 0.38 H new ATOM 0 HB2 LEU A 73 -3.829 6.039 7.625 1.00 0.44 H new ATOM 0 HB3 LEU A 73 -2.132 5.947 7.200 1.00 0.44 H new ATOM 0 HG LEU A 73 -3.254 5.158 9.906 1.00 0.66 H new ATOM 0 HD11 LEU A 73 -2.926 2.835 9.152 1.00 0.93 H new ATOM 0 HD12 LEU A 73 -4.120 3.692 8.148 1.00 0.93 H new ATOM 0 HD13 LEU A 73 -2.469 3.429 7.538 1.00 0.93 H new ATOM 0 HD21 LEU A 73 -1.063 4.067 10.200 1.00 0.92 H new ATOM 0 HD22 LEU A 73 -0.539 4.705 8.624 1.00 0.92 H new ATOM 0 HD23 LEU A 73 -0.898 5.823 9.961 1.00 0.92 H new ATOM 859 N ILE A 74 -1.564 8.489 6.654 1.00 0.29 N ATOM 860 CA ILE A 74 -1.427 9.394 5.522 1.00 0.28 C ATOM 861 C ILE A 74 -1.651 8.639 4.213 1.00 0.30 C ATOM 862 O ILE A 74 -0.938 7.687 3.907 1.00 0.51 O ATOM 863 CB ILE A 74 -0.032 10.055 5.504 1.00 0.30 C ATOM 864 CG1 ILE A 74 0.430 10.372 6.931 1.00 0.43 C ATOM 865 CG2 ILE A 74 -0.060 11.323 4.664 1.00 0.33 C ATOM 866 CD1 ILE A 74 1.907 10.691 7.037 1.00 0.59 C ATOM 0 H ILE A 74 -0.784 7.841 6.766 1.00 0.29 H new ATOM 0 HA ILE A 74 -2.180 10.175 5.625 1.00 0.28 H new ATOM 0 HB ILE A 74 0.676 9.356 5.059 1.00 0.30 H new ATOM 0 HG12 ILE A 74 -0.143 11.218 7.309 1.00 0.43 H new ATOM 0 HG13 ILE A 74 0.204 9.521 7.574 1.00 0.43 H new ATOM 0 HG21 ILE A 74 0.930 11.779 4.660 1.00 0.33 H new ATOM 0 HG22 ILE A 74 -0.350 11.076 3.643 1.00 0.33 H new ATOM 0 HG23 ILE A 74 -0.780 12.024 5.087 1.00 0.33 H new ATOM 0 HD11 ILE A 74 2.159 10.905 8.076 1.00 0.59 H new ATOM 0 HD12 ILE A 74 2.489 9.837 6.690 1.00 0.59 H new ATOM 0 HD13 ILE A 74 2.136 11.561 6.422 1.00 0.59 H new ATOM 878 N ILE A 75 -2.631 9.069 3.443 1.00 0.24 N ATOM 879 CA ILE A 75 -2.956 8.410 2.182 1.00 0.23 C ATOM 880 C ILE A 75 -2.265 9.088 0.997 1.00 0.24 C ATOM 881 O ILE A 75 -2.053 10.301 1.004 1.00 0.26 O ATOM 882 CB ILE A 75 -4.482 8.389 1.942 1.00 0.27 C ATOM 883 CG1 ILE A 75 -5.219 7.879 3.186 1.00 0.28 C ATOM 884 CG2 ILE A 75 -4.815 7.521 0.737 1.00 0.32 C ATOM 885 CD1 ILE A 75 -4.834 6.472 3.600 1.00 0.31 C ATOM 0 H ILE A 75 -3.220 9.872 3.664 1.00 0.24 H new ATOM 0 HA ILE A 75 -2.591 7.386 2.258 1.00 0.23 H new ATOM 0 HB ILE A 75 -4.812 9.408 1.741 1.00 0.27 H new ATOM 0 HG12 ILE A 75 -5.021 8.557 4.016 1.00 0.28 H new ATOM 0 HG13 ILE A 75 -6.292 7.910 2.998 1.00 0.28 H new ATOM 0 HG21 ILE A 75 -5.894 7.515 0.580 1.00 0.32 H new ATOM 0 HG22 ILE A 75 -4.321 7.922 -0.148 1.00 0.32 H new ATOM 0 HG23 ILE A 75 -4.469 6.503 0.915 1.00 0.32 H new ATOM 0 HD11 ILE A 75 -5.399 6.186 4.487 1.00 0.31 H new ATOM 0 HD12 ILE A 75 -5.058 5.780 2.788 1.00 0.31 H new ATOM 0 HD13 ILE A 75 -3.768 6.437 3.823 1.00 0.31 H new ATOM 897 N PHE A 76 -1.908 8.289 -0.010 1.00 0.27 N ATOM 898 CA PHE A 76 -1.244 8.787 -1.213 1.00 0.31 C ATOM 899 C PHE A 76 -1.786 8.066 -2.446 1.00 0.32 C ATOM 900 O PHE A 76 -2.208 6.911 -2.351 1.00 0.35 O ATOM 901 CB PHE A 76 0.271 8.568 -1.129 1.00 0.34 C ATOM 902 CG PHE A 76 0.931 9.283 0.013 1.00 0.39 C ATOM 903 CD1 PHE A 76 1.365 10.589 -0.126 1.00 0.50 C ATOM 904 CD2 PHE A 76 1.120 8.643 1.227 1.00 0.40 C ATOM 905 CE1 PHE A 76 1.975 11.246 0.925 1.00 0.58 C ATOM 906 CE2 PHE A 76 1.729 9.293 2.280 1.00 0.50 C ATOM 907 CZ PHE A 76 2.158 10.596 2.130 1.00 0.58 C ATOM 0 H PHE A 76 -2.071 7.282 -0.014 1.00 0.27 H new ATOM 0 HA PHE A 76 -1.444 9.856 -1.292 1.00 0.31 H new ATOM 0 HB2 PHE A 76 0.468 7.500 -1.038 1.00 0.34 H new ATOM 0 HB3 PHE A 76 0.727 8.898 -2.062 1.00 0.34 H new ATOM 0 HD1 PHE A 76 1.225 11.101 -1.067 1.00 0.50 H new ATOM 0 HD2 PHE A 76 0.787 7.623 1.350 1.00 0.40 H new ATOM 0 HE1 PHE A 76 2.308 12.266 0.805 1.00 0.58 H new ATOM 0 HE2 PHE A 76 1.870 8.783 3.221 1.00 0.50 H new ATOM 0 HZ PHE A 76 2.636 11.106 2.953 1.00 0.58 H new ATOM 917 N PRO A 77 -1.789 8.731 -3.619 1.00 0.36 N ATOM 918 CA PRO A 77 -2.264 8.122 -4.867 1.00 0.38 C ATOM 919 C PRO A 77 -1.357 6.977 -5.320 1.00 0.33 C ATOM 920 O PRO A 77 -0.215 6.863 -4.859 1.00 0.33 O ATOM 921 CB PRO A 77 -2.226 9.276 -5.880 1.00 0.45 C ATOM 922 CG PRO A 77 -2.077 10.520 -5.072 1.00 0.55 C ATOM 923 CD PRO A 77 -1.353 10.122 -3.821 1.00 0.44 C ATOM 0 HA PRO A 77 -3.255 7.682 -4.756 1.00 0.38 H new ATOM 0 HB2 PRO A 77 -1.395 9.159 -6.575 1.00 0.45 H new ATOM 0 HB3 PRO A 77 -3.138 9.304 -6.476 1.00 0.45 H new ATOM 0 HG2 PRO A 77 -1.517 11.277 -5.622 1.00 0.55 H new ATOM 0 HG3 PRO A 77 -3.050 10.951 -4.838 1.00 0.55 H new ATOM 0 HD2 PRO A 77 -0.272 10.194 -3.939 1.00 0.44 H new ATOM 0 HD3 PRO A 77 -1.624 10.757 -2.978 1.00 0.44 H new ATOM 931 N ASP A 78 -1.873 6.141 -6.233 1.00 0.40 N ATOM 932 CA ASP A 78 -1.153 4.966 -6.776 1.00 0.46 C ATOM 933 C ASP A 78 -0.707 4.032 -5.652 1.00 0.45 C ATOM 934 O ASP A 78 0.172 3.188 -5.844 1.00 0.60 O ATOM 935 CB ASP A 78 0.079 5.329 -7.665 1.00 0.53 C ATOM 936 CG ASP A 78 0.306 6.812 -7.888 1.00 0.98 C ATOM 937 OD1 ASP A 78 -0.495 7.446 -8.609 1.00 1.34 O ATOM 938 OD2 ASP A 78 1.318 7.342 -7.371 1.00 1.36 O ATOM 0 H ASP A 78 -2.809 6.257 -6.622 1.00 0.40 H new ATOM 0 HA ASP A 78 -1.873 4.464 -7.422 1.00 0.46 H new ATOM 0 HB2 ASP A 78 0.973 4.907 -7.207 1.00 0.53 H new ATOM 0 HB3 ASP A 78 -0.040 4.847 -8.635 1.00 0.53 H new ATOM 943 N ASP A 79 -1.328 4.155 -4.482 1.00 0.53 N ATOM 944 CA ASP A 79 -0.946 3.325 -3.347 1.00 0.61 C ATOM 945 C ASP A 79 -2.138 2.900 -2.494 1.00 0.59 C ATOM 946 O ASP A 79 -1.961 2.255 -1.461 1.00 1.11 O ATOM 947 CB ASP A 79 0.054 4.074 -2.472 1.00 0.80 C ATOM 948 CG ASP A 79 1.131 3.168 -1.924 1.00 1.12 C ATOM 949 OD1 ASP A 79 1.954 2.670 -2.731 1.00 1.44 O ATOM 950 OD2 ASP A 79 1.174 2.961 -0.700 1.00 1.74 O ATOM 0 H ASP A 79 -2.087 4.811 -4.297 1.00 0.53 H new ATOM 0 HA ASP A 79 -0.497 2.420 -3.756 1.00 0.61 H new ATOM 0 HB2 ASP A 79 0.515 4.872 -3.054 1.00 0.80 H new ATOM 0 HB3 ASP A 79 -0.474 4.547 -1.645 1.00 0.80 H new ATOM 955 N CYS A 80 -3.351 3.235 -2.914 1.00 0.50 N ATOM 956 CA CYS A 80 -4.532 2.866 -2.136 1.00 0.46 C ATOM 957 C CYS A 80 -5.690 2.431 -3.026 1.00 0.43 C ATOM 958 O CYS A 80 -5.804 2.864 -4.175 1.00 0.60 O ATOM 959 CB CYS A 80 -4.961 4.027 -1.239 1.00 0.63 C ATOM 960 SG CYS A 80 -3.775 4.405 0.071 1.00 0.90 S ATOM 0 H CYS A 80 -3.544 3.752 -3.772 1.00 0.50 H new ATOM 0 HA CYS A 80 -4.259 2.013 -1.514 1.00 0.46 H new ATOM 0 HB2 CYS A 80 -5.106 4.915 -1.853 1.00 0.63 H new ATOM 0 HB3 CYS A 80 -5.925 3.790 -0.788 1.00 0.63 H new ATOM 0 HG CYS A 80 -3.382 3.300 0.632 1.00 0.90 H new ATOM 966 N GLU A 81 -6.534 1.557 -2.485 1.00 0.34 N ATOM 967 CA GLU A 81 -7.692 1.042 -3.198 1.00 0.39 C ATOM 968 C GLU A 81 -8.819 0.701 -2.223 1.00 0.36 C ATOM 969 O GLU A 81 -8.658 -0.150 -1.342 1.00 0.45 O ATOM 970 CB GLU A 81 -7.310 -0.207 -3.992 1.00 0.49 C ATOM 971 CG GLU A 81 -8.495 -0.919 -4.618 1.00 0.74 C ATOM 972 CD GLU A 81 -8.128 -2.275 -5.182 1.00 0.94 C ATOM 973 OE1 GLU A 81 -7.669 -3.143 -4.405 1.00 1.15 O ATOM 974 OE2 GLU A 81 -8.299 -2.481 -6.398 1.00 1.32 O ATOM 0 H GLU A 81 -6.432 1.188 -1.540 1.00 0.34 H new ATOM 0 HA GLU A 81 -8.040 1.815 -3.884 1.00 0.39 H new ATOM 0 HB2 GLU A 81 -6.609 0.074 -4.778 1.00 0.49 H new ATOM 0 HB3 GLU A 81 -6.788 -0.900 -3.332 1.00 0.49 H new ATOM 0 HG2 GLU A 81 -9.278 -1.041 -3.869 1.00 0.74 H new ATOM 0 HG3 GLU A 81 -8.908 -0.299 -5.413 1.00 0.74 H new ATOM 981 N PHE A 82 -9.947 1.372 -2.378 1.00 0.34 N ATOM 982 CA PHE A 82 -11.105 1.122 -1.535 1.00 0.32 C ATOM 983 C PHE A 82 -12.157 0.387 -2.350 1.00 0.33 C ATOM 984 O PHE A 82 -12.407 0.738 -3.507 1.00 0.42 O ATOM 985 CB PHE A 82 -11.668 2.439 -0.988 1.00 0.35 C ATOM 986 CG PHE A 82 -12.689 2.264 0.103 1.00 0.34 C ATOM 987 CD1 PHE A 82 -12.418 1.473 1.205 1.00 0.43 C ATOM 988 CD2 PHE A 82 -13.920 2.897 0.030 1.00 0.44 C ATOM 989 CE1 PHE A 82 -13.350 1.315 2.211 1.00 0.48 C ATOM 990 CE2 PHE A 82 -14.857 2.743 1.032 1.00 0.47 C ATOM 991 CZ PHE A 82 -14.572 1.951 2.124 1.00 0.43 C ATOM 0 H PHE A 82 -10.087 2.097 -3.082 1.00 0.34 H new ATOM 0 HA PHE A 82 -10.810 0.508 -0.684 1.00 0.32 H new ATOM 0 HB2 PHE A 82 -10.845 3.043 -0.607 1.00 0.35 H new ATOM 0 HB3 PHE A 82 -12.120 2.997 -1.808 1.00 0.35 H new ATOM 0 HD1 PHE A 82 -11.464 0.972 1.279 1.00 0.43 H new ATOM 0 HD2 PHE A 82 -14.149 3.519 -0.822 1.00 0.44 H new ATOM 0 HE1 PHE A 82 -13.123 0.694 3.065 1.00 0.48 H new ATOM 0 HE2 PHE A 82 -15.812 3.242 0.961 1.00 0.47 H new ATOM 0 HZ PHE A 82 -15.303 1.829 2.909 1.00 0.43 H new ATOM 1001 N LYS A 83 -12.747 -0.645 -1.767 1.00 0.34 N ATOM 1002 CA LYS A 83 -13.765 -1.422 -2.461 1.00 0.38 C ATOM 1003 C LYS A 83 -14.650 -2.170 -1.472 1.00 0.37 C ATOM 1004 O LYS A 83 -14.370 -2.202 -0.272 1.00 0.38 O ATOM 1005 CB LYS A 83 -13.115 -2.410 -3.435 1.00 0.46 C ATOM 1006 CG LYS A 83 -12.097 -3.333 -2.787 1.00 0.53 C ATOM 1007 CD LYS A 83 -11.466 -4.264 -3.810 1.00 0.69 C ATOM 1008 CE LYS A 83 -10.496 -5.238 -3.161 1.00 1.06 C ATOM 1009 NZ LYS A 83 -9.264 -4.566 -2.674 1.00 1.44 N ATOM 0 H LYS A 83 -12.541 -0.964 -0.820 1.00 0.34 H new ATOM 0 HA LYS A 83 -14.389 -0.729 -3.025 1.00 0.38 H new ATOM 0 HB2 LYS A 83 -13.895 -3.014 -3.899 1.00 0.46 H new ATOM 0 HB3 LYS A 83 -12.627 -1.851 -4.233 1.00 0.46 H new ATOM 0 HG2 LYS A 83 -11.320 -2.740 -2.304 1.00 0.53 H new ATOM 0 HG3 LYS A 83 -12.581 -3.921 -2.007 1.00 0.53 H new ATOM 0 HD2 LYS A 83 -12.248 -4.820 -4.327 1.00 0.69 H new ATOM 0 HD3 LYS A 83 -10.942 -3.676 -4.563 1.00 0.69 H new ATOM 0 HE2 LYS A 83 -10.989 -5.737 -2.327 1.00 1.06 H new ATOM 0 HE3 LYS A 83 -10.225 -6.011 -3.880 1.00 1.06 H new ATOM 0 HZ1 LYS A 83 -8.564 -5.283 -2.395 1.00 1.44 H new ATOM 0 HZ2 LYS A 83 -8.869 -3.973 -3.432 1.00 1.44 H new ATOM 0 HZ3 LYS A 83 -9.495 -3.970 -1.853 1.00 1.44 H new ATOM 1023 N ARG A 84 -15.710 -2.775 -1.986 1.00 0.42 N ATOM 1024 CA ARG A 84 -16.649 -3.523 -1.162 1.00 0.43 C ATOM 1025 C ARG A 84 -16.391 -5.017 -1.293 1.00 0.44 C ATOM 1026 O ARG A 84 -16.044 -5.497 -2.369 1.00 0.49 O ATOM 1027 CB ARG A 84 -18.089 -3.207 -1.582 1.00 0.47 C ATOM 1028 CG ARG A 84 -19.141 -3.830 -0.680 1.00 0.57 C ATOM 1029 CD ARG A 84 -20.549 -3.569 -1.196 1.00 0.61 C ATOM 1030 NE ARG A 84 -20.847 -4.329 -2.412 1.00 0.71 N ATOM 1031 CZ ARG A 84 -21.893 -5.143 -2.550 1.00 0.78 C ATOM 1032 NH1 ARG A 84 -22.757 -5.312 -1.550 1.00 0.88 N ATOM 1033 NH2 ARG A 84 -22.084 -5.784 -3.696 1.00 0.96 N ATOM 0 H ARG A 84 -15.943 -2.762 -2.979 1.00 0.42 H new ATOM 0 HA ARG A 84 -16.509 -3.229 -0.122 1.00 0.43 H new ATOM 0 HB2 ARG A 84 -18.226 -2.126 -1.591 1.00 0.47 H new ATOM 0 HB3 ARG A 84 -18.245 -3.557 -2.602 1.00 0.47 H new ATOM 0 HG2 ARG A 84 -18.972 -4.905 -0.611 1.00 0.57 H new ATOM 0 HG3 ARG A 84 -19.042 -3.427 0.328 1.00 0.57 H new ATOM 0 HD2 ARG A 84 -21.271 -3.829 -0.422 1.00 0.61 H new ATOM 0 HD3 ARG A 84 -20.668 -2.504 -1.398 1.00 0.61 H new ATOM 0 HE ARG A 84 -20.213 -4.229 -3.205 1.00 0.71 H new ATOM 0 HH11 ARG A 84 -22.621 -4.816 -0.669 1.00 0.88 H new ATOM 0 HH12 ARG A 84 -23.555 -5.937 -1.665 1.00 0.88 H new ATOM 0 HH21 ARG A 84 -21.431 -5.653 -4.469 1.00 0.96 H new ATOM 0 HH22 ARG A 84 -22.884 -6.408 -3.804 1.00 0.96 H new ATOM 1047 N VAL A 85 -16.548 -5.743 -0.192 1.00 0.45 N ATOM 1048 CA VAL A 85 -16.354 -7.187 -0.198 1.00 0.49 C ATOM 1049 C VAL A 85 -17.571 -7.863 -0.827 1.00 0.55 C ATOM 1050 O VAL A 85 -18.677 -7.781 -0.288 1.00 0.59 O ATOM 1051 CB VAL A 85 -16.140 -7.738 1.229 1.00 0.52 C ATOM 1052 CG1 VAL A 85 -15.847 -9.231 1.201 1.00 0.61 C ATOM 1053 CG2 VAL A 85 -15.014 -6.987 1.929 1.00 0.50 C ATOM 0 H VAL A 85 -16.809 -5.355 0.715 1.00 0.45 H new ATOM 0 HA VAL A 85 -15.459 -7.404 -0.782 1.00 0.49 H new ATOM 0 HB VAL A 85 -17.062 -7.585 1.790 1.00 0.52 H new ATOM 0 HG11 VAL A 85 -15.701 -9.592 2.219 1.00 0.61 H new ATOM 0 HG12 VAL A 85 -16.686 -9.758 0.746 1.00 0.61 H new ATOM 0 HG13 VAL A 85 -14.944 -9.414 0.618 1.00 0.61 H new ATOM 0 HG21 VAL A 85 -14.878 -7.389 2.933 1.00 0.50 H new ATOM 0 HG22 VAL A 85 -14.090 -7.105 1.362 1.00 0.50 H new ATOM 0 HG23 VAL A 85 -15.267 -5.929 1.993 1.00 0.50 H new ATOM 1063 N PRO A 86 -17.389 -8.518 -1.987 1.00 0.61 N ATOM 1064 CA PRO A 86 -18.483 -9.191 -2.692 1.00 0.69 C ATOM 1065 C PRO A 86 -19.026 -10.394 -1.927 1.00 0.68 C ATOM 1066 O PRO A 86 -20.239 -10.604 -1.865 1.00 0.77 O ATOM 1067 CB PRO A 86 -17.847 -9.634 -4.012 1.00 0.81 C ATOM 1068 CG PRO A 86 -16.384 -9.679 -3.754 1.00 0.80 C ATOM 1069 CD PRO A 86 -16.108 -8.637 -2.708 1.00 0.64 C ATOM 0 HA PRO A 86 -19.342 -8.532 -2.820 1.00 0.69 H new ATOM 0 HB2 PRO A 86 -18.221 -10.610 -4.319 1.00 0.81 H new ATOM 0 HB3 PRO A 86 -18.082 -8.935 -4.815 1.00 0.81 H new ATOM 0 HG2 PRO A 86 -16.080 -10.667 -3.408 1.00 0.80 H new ATOM 0 HG3 PRO A 86 -15.822 -9.474 -4.665 1.00 0.80 H new ATOM 0 HD2 PRO A 86 -15.301 -8.942 -2.042 1.00 0.64 H new ATOM 0 HD3 PRO A 86 -15.811 -7.689 -3.156 1.00 0.64 H new ATOM 1077 N GLN A 87 -18.131 -11.178 -1.343 1.00 0.67 N ATOM 1078 CA GLN A 87 -18.530 -12.354 -0.585 1.00 0.70 C ATOM 1079 C GLN A 87 -18.835 -11.962 0.859 1.00 0.70 C ATOM 1080 O GLN A 87 -17.995 -12.113 1.745 1.00 1.01 O ATOM 1081 CB GLN A 87 -17.433 -13.424 -0.625 1.00 0.78 C ATOM 1082 CG GLN A 87 -16.947 -13.773 -2.026 1.00 0.91 C ATOM 1083 CD GLN A 87 -18.077 -14.115 -2.976 1.00 1.00 C ATOM 1084 OE1 GLN A 87 -18.568 -13.257 -3.708 1.00 1.05 O ATOM 1085 NE2 GLN A 87 -18.491 -15.370 -2.977 1.00 1.21 N ATOM 0 H GLN A 87 -17.124 -11.021 -1.380 1.00 0.67 H new ATOM 0 HA GLN A 87 -19.429 -12.772 -1.038 1.00 0.70 H new ATOM 0 HB2 GLN A 87 -16.584 -13.079 -0.034 1.00 0.78 H new ATOM 0 HB3 GLN A 87 -17.807 -14.329 -0.147 1.00 0.78 H new ATOM 0 HG2 GLN A 87 -16.383 -12.932 -2.429 1.00 0.91 H new ATOM 0 HG3 GLN A 87 -16.261 -14.618 -1.967 1.00 0.91 H new ATOM 0 HE21 GLN A 87 -18.057 -16.051 -2.354 1.00 1.21 H new ATOM 0 HE22 GLN A 87 -19.245 -15.658 -3.601 1.00 1.21 H new ATOM 1094 N CYS A 88 -20.033 -11.439 1.080 1.00 0.73 N ATOM 1095 CA CYS A 88 -20.446 -11.006 2.409 1.00 0.71 C ATOM 1096 C CYS A 88 -21.965 -11.080 2.551 1.00 0.71 C ATOM 1097 O CYS A 88 -22.694 -10.641 1.660 1.00 0.74 O ATOM 1098 CB CYS A 88 -19.962 -9.573 2.661 1.00 0.73 C ATOM 1099 SG CYS A 88 -20.284 -8.960 4.330 1.00 1.44 S ATOM 0 H CYS A 88 -20.738 -11.304 0.355 1.00 0.73 H new ATOM 0 HA CYS A 88 -19.999 -11.671 3.148 1.00 0.71 H new ATOM 0 HB2 CYS A 88 -18.890 -9.526 2.470 1.00 0.73 H new ATOM 0 HB3 CYS A 88 -20.443 -8.908 1.944 1.00 0.73 H new ATOM 0 HG CYS A 88 -20.657 -7.716 4.271 1.00 1.44 H new ATOM 1105 N PRO A 89 -22.456 -11.651 3.668 1.00 0.75 N ATOM 1106 CA PRO A 89 -23.896 -11.773 3.933 1.00 0.79 C ATOM 1107 C PRO A 89 -24.610 -10.420 3.968 1.00 0.74 C ATOM 1108 O PRO A 89 -25.655 -10.248 3.343 1.00 0.79 O ATOM 1109 CB PRO A 89 -23.954 -12.436 5.314 1.00 0.88 C ATOM 1110 CG PRO A 89 -22.630 -13.085 5.510 1.00 0.92 C ATOM 1111 CD PRO A 89 -21.642 -12.251 4.747 1.00 0.81 C ATOM 0 HA PRO A 89 -24.398 -12.338 3.148 1.00 0.79 H new ATOM 0 HB2 PRO A 89 -24.147 -11.699 6.093 1.00 0.88 H new ATOM 0 HB3 PRO A 89 -24.759 -13.169 5.362 1.00 0.88 H new ATOM 0 HG2 PRO A 89 -22.370 -13.128 6.568 1.00 0.92 H new ATOM 0 HG3 PRO A 89 -22.640 -14.111 5.142 1.00 0.92 H new ATOM 0 HD2 PRO A 89 -21.188 -11.488 5.379 1.00 0.81 H new ATOM 0 HD3 PRO A 89 -20.829 -12.857 4.347 1.00 0.81 H new ATOM 1119 N SER A 90 -24.049 -9.468 4.701 1.00 0.71 N ATOM 1120 CA SER A 90 -24.649 -8.143 4.815 1.00 0.71 C ATOM 1121 C SER A 90 -24.440 -7.337 3.539 1.00 0.65 C ATOM 1122 O SER A 90 -25.343 -6.641 3.071 1.00 0.72 O ATOM 1123 CB SER A 90 -24.045 -7.393 6.004 1.00 0.75 C ATOM 1124 OG SER A 90 -22.629 -7.420 5.953 1.00 0.85 O ATOM 0 H SER A 90 -23.182 -9.586 5.225 1.00 0.71 H new ATOM 0 HA SER A 90 -25.720 -8.269 4.972 1.00 0.71 H new ATOM 0 HB2 SER A 90 -24.393 -6.360 6.002 1.00 0.75 H new ATOM 0 HB3 SER A 90 -24.388 -7.844 6.935 1.00 0.75 H new ATOM 0 HG SER A 90 -22.339 -8.035 5.248 1.00 0.85 H new ATOM 1130 N GLY A 91 -23.238 -7.433 2.982 1.00 0.60 N ATOM 1131 CA GLY A 91 -22.917 -6.704 1.775 1.00 0.60 C ATOM 1132 C GLY A 91 -22.643 -5.239 2.054 1.00 0.57 C ATOM 1133 O GLY A 91 -22.716 -4.400 1.155 1.00 0.64 O ATOM 0 H GLY A 91 -22.478 -8.006 3.349 1.00 0.60 H new ATOM 0 HA2 GLY A 91 -22.044 -7.153 1.302 1.00 0.60 H new ATOM 0 HA3 GLY A 91 -23.742 -6.791 1.068 1.00 0.60 H new ATOM 1137 N ARG A 92 -22.341 -4.928 3.310 1.00 0.52 N ATOM 1138 CA ARG A 92 -22.062 -3.556 3.718 1.00 0.51 C ATOM 1139 C ARG A 92 -20.650 -3.435 4.272 1.00 0.48 C ATOM 1140 O ARG A 92 -20.264 -2.392 4.808 1.00 0.48 O ATOM 1141 CB ARG A 92 -23.067 -3.098 4.774 1.00 0.54 C ATOM 1142 CG ARG A 92 -24.515 -3.262 4.350 1.00 0.58 C ATOM 1143 CD ARG A 92 -25.434 -2.388 5.181 1.00 0.61 C ATOM 1144 NE ARG A 92 -25.245 -0.966 4.892 1.00 0.59 N ATOM 1145 CZ ARG A 92 -25.688 0.015 5.676 1.00 0.59 C ATOM 1146 NH1 ARG A 92 -26.335 -0.268 6.801 1.00 0.62 N ATOM 1147 NH2 ARG A 92 -25.490 1.282 5.336 1.00 0.60 N ATOM 0 H ARG A 92 -22.283 -5.611 4.066 1.00 0.52 H new ATOM 0 HA ARG A 92 -22.152 -2.919 2.838 1.00 0.51 H new ATOM 0 HB2 ARG A 92 -22.900 -3.663 5.691 1.00 0.54 H new ATOM 0 HB3 ARG A 92 -22.883 -2.049 5.008 1.00 0.54 H new ATOM 0 HG2 ARG A 92 -24.619 -3.004 3.296 1.00 0.58 H new ATOM 0 HG3 ARG A 92 -24.811 -4.306 4.453 1.00 0.58 H new ATOM 0 HD2 ARG A 92 -26.471 -2.663 4.986 1.00 0.61 H new ATOM 0 HD3 ARG A 92 -25.249 -2.571 6.240 1.00 0.61 H new ATOM 0 HE ARG A 92 -24.745 -0.711 4.040 1.00 0.59 H new ATOM 0 HH11 ARG A 92 -26.494 -1.240 7.067 1.00 0.62 H new ATOM 0 HH12 ARG A 92 -26.673 0.486 7.399 1.00 0.62 H new ATOM 0 HH21 ARG A 92 -24.997 1.507 4.472 1.00 0.60 H new ATOM 0 HH22 ARG A 92 -25.831 2.031 5.939 1.00 0.60 H new ATOM 1161 N VAL A 93 -19.884 -4.507 4.147 1.00 0.47 N ATOM 1162 CA VAL A 93 -18.516 -4.521 4.631 1.00 0.45 C ATOM 1163 C VAL A 93 -17.568 -4.100 3.517 1.00 0.41 C ATOM 1164 O VAL A 93 -17.491 -4.750 2.471 1.00 0.43 O ATOM 1165 CB VAL A 93 -18.104 -5.915 5.160 1.00 0.48 C ATOM 1166 CG1 VAL A 93 -16.652 -5.917 5.620 1.00 0.47 C ATOM 1167 CG2 VAL A 93 -19.023 -6.344 6.294 1.00 0.56 C ATOM 0 H VAL A 93 -20.188 -5.379 3.714 1.00 0.47 H new ATOM 0 HA VAL A 93 -18.455 -3.816 5.460 1.00 0.45 H new ATOM 0 HB VAL A 93 -18.200 -6.630 4.343 1.00 0.48 H new ATOM 0 HG11 VAL A 93 -16.388 -6.909 5.987 1.00 0.47 H new ATOM 0 HG12 VAL A 93 -16.005 -5.656 4.783 1.00 0.47 H new ATOM 0 HG13 VAL A 93 -16.523 -5.188 6.420 1.00 0.47 H new ATOM 0 HG21 VAL A 93 -18.720 -7.327 6.656 1.00 0.56 H new ATOM 0 HG22 VAL A 93 -18.958 -5.622 7.108 1.00 0.56 H new ATOM 0 HG23 VAL A 93 -20.050 -6.391 5.932 1.00 0.56 H new ATOM 1177 N TYR A 94 -16.877 -2.998 3.734 1.00 0.39 N ATOM 1178 CA TYR A 94 -15.938 -2.484 2.756 1.00 0.37 C ATOM 1179 C TYR A 94 -14.517 -2.728 3.235 1.00 0.35 C ATOM 1180 O TYR A 94 -14.288 -2.923 4.429 1.00 0.37 O ATOM 1181 CB TYR A 94 -16.182 -0.993 2.517 1.00 0.38 C ATOM 1182 CG TYR A 94 -17.400 -0.707 1.661 1.00 0.41 C ATOM 1183 CD1 TYR A 94 -18.687 -0.926 2.142 1.00 0.44 C ATOM 1184 CD2 TYR A 94 -17.263 -0.218 0.369 1.00 0.42 C ATOM 1185 CE1 TYR A 94 -19.797 -0.670 1.358 1.00 0.47 C ATOM 1186 CE2 TYR A 94 -18.369 0.043 -0.418 1.00 0.46 C ATOM 1187 CZ TYR A 94 -19.632 -0.187 0.080 1.00 0.48 C ATOM 1188 OH TYR A 94 -20.734 0.066 -0.704 1.00 0.53 O ATOM 0 H TYR A 94 -16.949 -2.439 4.584 1.00 0.39 H new ATOM 0 HA TYR A 94 -16.083 -3.006 1.810 1.00 0.37 H new ATOM 0 HB2 TYR A 94 -16.299 -0.494 3.479 1.00 0.38 H new ATOM 0 HB3 TYR A 94 -15.303 -0.562 2.039 1.00 0.38 H new ATOM 0 HD1 TYR A 94 -18.821 -1.303 3.145 1.00 0.44 H new ATOM 0 HD2 TYR A 94 -16.275 -0.038 -0.028 1.00 0.42 H new ATOM 0 HE1 TYR A 94 -20.789 -0.848 1.747 1.00 0.47 H new ATOM 0 HE2 TYR A 94 -18.243 0.426 -1.420 1.00 0.46 H new ATOM 0 HH TYR A 94 -20.584 -0.292 -1.604 1.00 0.53 H new ATOM 1198 N VAL A 95 -13.568 -2.722 2.320 1.00 0.34 N ATOM 1199 CA VAL A 95 -12.186 -2.961 2.682 1.00 0.33 C ATOM 1200 C VAL A 95 -11.238 -1.981 1.999 1.00 0.31 C ATOM 1201 O VAL A 95 -11.244 -1.824 0.773 1.00 0.31 O ATOM 1202 CB VAL A 95 -11.760 -4.420 2.362 1.00 0.36 C ATOM 1203 CG1 VAL A 95 -12.069 -4.781 0.913 1.00 0.38 C ATOM 1204 CG2 VAL A 95 -10.280 -4.635 2.667 1.00 0.38 C ATOM 0 H VAL A 95 -13.727 -2.555 1.326 1.00 0.34 H new ATOM 0 HA VAL A 95 -12.117 -2.804 3.758 1.00 0.33 H new ATOM 0 HB VAL A 95 -12.341 -5.082 3.004 1.00 0.36 H new ATOM 0 HG11 VAL A 95 -11.759 -5.808 0.720 1.00 0.38 H new ATOM 0 HG12 VAL A 95 -13.140 -4.685 0.735 1.00 0.38 H new ATOM 0 HG13 VAL A 95 -11.529 -4.108 0.247 1.00 0.38 H new ATOM 0 HG21 VAL A 95 -10.006 -5.664 2.435 1.00 0.38 H new ATOM 0 HG22 VAL A 95 -9.681 -3.955 2.061 1.00 0.38 H new ATOM 0 HG23 VAL A 95 -10.094 -4.440 3.723 1.00 0.38 H new ATOM 1214 N LEU A 96 -10.445 -1.304 2.813 1.00 0.31 N ATOM 1215 CA LEU A 96 -9.459 -0.368 2.323 1.00 0.30 C ATOM 1216 C LEU A 96 -8.117 -1.077 2.277 1.00 0.30 C ATOM 1217 O LEU A 96 -7.533 -1.391 3.316 1.00 0.38 O ATOM 1218 CB LEU A 96 -9.380 0.871 3.223 1.00 0.34 C ATOM 1219 CG LEU A 96 -8.360 1.930 2.791 1.00 0.37 C ATOM 1220 CD1 LEU A 96 -8.826 2.640 1.531 1.00 0.43 C ATOM 1221 CD2 LEU A 96 -8.124 2.929 3.914 1.00 0.44 C ATOM 0 H LEU A 96 -10.470 -1.391 3.829 1.00 0.31 H new ATOM 0 HA LEU A 96 -9.740 -0.027 1.327 1.00 0.30 H new ATOM 0 HB2 LEU A 96 -10.366 1.335 3.263 1.00 0.34 H new ATOM 0 HB3 LEU A 96 -9.138 0.549 4.236 1.00 0.34 H new ATOM 0 HG LEU A 96 -7.417 1.430 2.571 1.00 0.37 H new ATOM 0 HD11 LEU A 96 -8.088 3.388 1.241 1.00 0.43 H new ATOM 0 HD12 LEU A 96 -8.943 1.914 0.726 1.00 0.43 H new ATOM 0 HD13 LEU A 96 -9.782 3.128 1.721 1.00 0.43 H new ATOM 0 HD21 LEU A 96 -7.397 3.674 3.591 1.00 0.44 H new ATOM 0 HD22 LEU A 96 -9.063 3.423 4.165 1.00 0.44 H new ATOM 0 HD23 LEU A 96 -7.743 2.407 4.791 1.00 0.44 H new ATOM 1233 N LYS A 97 -7.646 -1.359 1.078 1.00 0.29 N ATOM 1234 CA LYS A 97 -6.388 -2.062 0.915 1.00 0.33 C ATOM 1235 C LYS A 97 -5.333 -1.165 0.297 1.00 0.26 C ATOM 1236 O LYS A 97 -5.586 -0.473 -0.689 1.00 0.32 O ATOM 1237 CB LYS A 97 -6.583 -3.309 0.043 1.00 0.45 C ATOM 1238 CG LYS A 97 -5.288 -4.059 -0.242 1.00 0.51 C ATOM 1239 CD LYS A 97 -5.468 -5.093 -1.337 1.00 0.74 C ATOM 1240 CE LYS A 97 -4.129 -5.631 -1.822 1.00 0.80 C ATOM 1241 NZ LYS A 97 -3.252 -4.552 -2.352 1.00 0.89 N ATOM 0 H LYS A 97 -8.113 -1.113 0.205 1.00 0.29 H new ATOM 0 HA LYS A 97 -6.046 -2.364 1.905 1.00 0.33 H new ATOM 0 HB2 LYS A 97 -7.283 -3.983 0.538 1.00 0.45 H new ATOM 0 HB3 LYS A 97 -7.039 -3.014 -0.902 1.00 0.45 H new ATOM 0 HG2 LYS A 97 -4.514 -3.350 -0.535 1.00 0.51 H new ATOM 0 HG3 LYS A 97 -4.943 -4.549 0.668 1.00 0.51 H new ATOM 0 HD2 LYS A 97 -6.079 -5.916 -0.965 1.00 0.74 H new ATOM 0 HD3 LYS A 97 -6.007 -4.649 -2.174 1.00 0.74 H new ATOM 0 HE2 LYS A 97 -3.623 -6.138 -1.000 1.00 0.80 H new ATOM 0 HE3 LYS A 97 -4.298 -6.375 -2.600 1.00 0.80 H new ATOM 0 HZ1 LYS A 97 -2.419 -4.975 -2.809 1.00 0.89 H new ATOM 0 HZ2 LYS A 97 -3.779 -3.987 -3.048 1.00 0.89 H new ATOM 0 HZ3 LYS A 97 -2.944 -3.939 -1.570 1.00 0.89 H new ATOM 1255 N PHE A 98 -4.154 -1.174 0.890 1.00 0.29 N ATOM 1256 CA PHE A 98 -3.044 -0.389 0.383 1.00 0.30 C ATOM 1257 C PHE A 98 -2.349 -1.169 -0.724 1.00 0.33 C ATOM 1258 O PHE A 98 -2.478 -2.393 -0.801 1.00 0.45 O ATOM 1259 CB PHE A 98 -2.056 -0.063 1.503 1.00 0.39 C ATOM 1260 CG PHE A 98 -2.523 1.036 2.420 1.00 0.44 C ATOM 1261 CD1 PHE A 98 -3.516 0.801 3.362 1.00 0.61 C ATOM 1262 CD2 PHE A 98 -1.964 2.300 2.343 1.00 0.57 C ATOM 1263 CE1 PHE A 98 -3.939 1.808 4.208 1.00 0.76 C ATOM 1264 CE2 PHE A 98 -2.384 3.312 3.186 1.00 0.72 C ATOM 1265 CZ PHE A 98 -3.372 3.065 4.120 1.00 0.77 C ATOM 0 H PHE A 98 -3.940 -1.718 1.726 1.00 0.29 H new ATOM 0 HA PHE A 98 -3.423 0.553 -0.015 1.00 0.30 H new ATOM 0 HB2 PHE A 98 -1.877 -0.963 2.091 1.00 0.39 H new ATOM 0 HB3 PHE A 98 -1.102 0.225 1.062 1.00 0.39 H new ATOM 0 HD1 PHE A 98 -3.962 -0.180 3.434 1.00 0.61 H new ATOM 0 HD2 PHE A 98 -1.191 2.498 1.616 1.00 0.57 H new ATOM 0 HE1 PHE A 98 -4.712 1.613 4.937 1.00 0.76 H new ATOM 0 HE2 PHE A 98 -1.941 4.294 3.115 1.00 0.72 H new ATOM 0 HZ PHE A 98 -3.701 3.854 4.781 1.00 0.77 H new ATOM 1275 N LYS A 99 -1.628 -0.474 -1.584 1.00 0.40 N ATOM 1276 CA LYS A 99 -0.935 -1.127 -2.686 1.00 0.48 C ATOM 1277 C LYS A 99 0.568 -1.158 -2.435 1.00 0.54 C ATOM 1278 O LYS A 99 1.367 -1.199 -3.372 1.00 0.82 O ATOM 1279 CB LYS A 99 -1.242 -0.420 -4.010 1.00 0.54 C ATOM 1280 CG LYS A 99 -2.714 -0.439 -4.386 1.00 0.70 C ATOM 1281 CD LYS A 99 -2.950 0.163 -5.763 1.00 0.73 C ATOM 1282 CE LYS A 99 -4.412 0.062 -6.165 1.00 0.91 C ATOM 1283 NZ LYS A 99 -4.614 0.317 -7.615 1.00 1.11 N ATOM 0 H LYS A 99 -1.505 0.538 -1.544 1.00 0.40 H new ATOM 0 HA LYS A 99 -1.293 -2.154 -2.752 1.00 0.48 H new ATOM 0 HB2 LYS A 99 -0.906 0.615 -3.945 1.00 0.54 H new ATOM 0 HB3 LYS A 99 -0.667 -0.893 -4.806 1.00 0.54 H new ATOM 0 HG2 LYS A 99 -3.081 -1.465 -4.370 1.00 0.70 H new ATOM 0 HG3 LYS A 99 -3.287 0.116 -3.643 1.00 0.70 H new ATOM 0 HD2 LYS A 99 -2.642 1.208 -5.763 1.00 0.73 H new ATOM 0 HD3 LYS A 99 -2.332 -0.352 -6.498 1.00 0.73 H new ATOM 0 HE2 LYS A 99 -4.788 -0.931 -5.917 1.00 0.91 H new ATOM 0 HE3 LYS A 99 -4.996 0.778 -5.587 1.00 0.91 H new ATOM 0 HZ1 LYS A 99 -5.625 0.238 -7.844 1.00 1.11 H new ATOM 0 HZ2 LYS A 99 -4.280 1.274 -7.849 1.00 1.11 H new ATOM 0 HZ3 LYS A 99 -4.078 -0.382 -8.168 1.00 1.11 H new ATOM 1297 N ALA A 100 0.941 -1.137 -1.165 1.00 0.55 N ATOM 1298 CA ALA A 100 2.339 -1.175 -0.768 1.00 0.63 C ATOM 1299 C ALA A 100 2.508 -2.018 0.488 1.00 0.62 C ATOM 1300 O ALA A 100 2.188 -1.577 1.592 1.00 1.36 O ATOM 1301 CB ALA A 100 2.872 0.231 -0.544 1.00 0.89 C ATOM 0 H ALA A 100 0.286 -1.093 -0.384 1.00 0.55 H new ATOM 0 HA ALA A 100 2.914 -1.632 -1.573 1.00 0.63 H new ATOM 0 HB1 ALA A 100 3.920 0.180 -0.248 1.00 0.89 H new ATOM 0 HB2 ALA A 100 2.783 0.805 -1.466 1.00 0.89 H new ATOM 0 HB3 ALA A 100 2.296 0.718 0.243 1.00 0.89 H new ATOM 1307 N GLY A 101 2.989 -3.239 0.312 1.00 0.78 N ATOM 1308 CA GLY A 101 3.184 -4.124 1.439 1.00 0.83 C ATOM 1309 C GLY A 101 1.911 -4.855 1.808 1.00 0.73 C ATOM 1310 O GLY A 101 1.111 -5.202 0.934 1.00 1.06 O ATOM 0 H GLY A 101 3.248 -3.633 -0.593 1.00 0.78 H new ATOM 0 HA2 GLY A 101 3.963 -4.848 1.201 1.00 0.83 H new ATOM 0 HA3 GLY A 101 3.534 -3.549 2.296 1.00 0.83 H new ATOM 1314 N SER A 102 1.713 -5.081 3.093 1.00 0.51 N ATOM 1315 CA SER A 102 0.532 -5.780 3.568 1.00 0.48 C ATOM 1316 C SER A 102 -0.248 -4.905 4.546 1.00 0.52 C ATOM 1317 O SER A 102 0.183 -4.692 5.681 1.00 1.13 O ATOM 1318 CB SER A 102 0.933 -7.094 4.243 1.00 0.60 C ATOM 1319 OG SER A 102 2.028 -7.700 3.569 1.00 1.00 O ATOM 0 H SER A 102 2.356 -4.790 3.829 1.00 0.51 H new ATOM 0 HA SER A 102 -0.107 -6.002 2.713 1.00 0.48 H new ATOM 0 HB2 SER A 102 1.201 -6.906 5.283 1.00 0.60 H new ATOM 0 HB3 SER A 102 0.083 -7.777 4.251 1.00 0.60 H new ATOM 0 HG SER A 102 2.267 -8.537 4.020 1.00 1.00 H new ATOM 1325 N LYS A 103 -1.381 -4.382 4.094 1.00 0.42 N ATOM 1326 CA LYS A 103 -2.218 -3.533 4.932 1.00 0.42 C ATOM 1327 C LYS A 103 -3.662 -3.543 4.437 1.00 0.39 C ATOM 1328 O LYS A 103 -3.982 -2.942 3.410 1.00 0.44 O ATOM 1329 CB LYS A 103 -1.680 -2.099 4.942 1.00 0.52 C ATOM 1330 CG LYS A 103 -1.875 -1.379 6.267 1.00 0.60 C ATOM 1331 CD LYS A 103 -1.222 -0.006 6.254 1.00 0.79 C ATOM 1332 CE LYS A 103 -1.186 0.617 7.642 1.00 0.93 C ATOM 1333 NZ LYS A 103 -0.192 -0.047 8.527 1.00 1.17 N ATOM 0 H LYS A 103 -1.741 -4.531 3.151 1.00 0.42 H new ATOM 0 HA LYS A 103 -2.195 -3.928 5.948 1.00 0.42 H new ATOM 0 HB2 LYS A 103 -0.617 -2.118 4.703 1.00 0.52 H new ATOM 0 HB3 LYS A 103 -2.174 -1.530 4.154 1.00 0.52 H new ATOM 0 HG2 LYS A 103 -2.940 -1.275 6.473 1.00 0.60 H new ATOM 0 HG3 LYS A 103 -1.451 -1.977 7.074 1.00 0.60 H new ATOM 0 HD2 LYS A 103 -0.206 -0.090 5.867 1.00 0.79 H new ATOM 0 HD3 LYS A 103 -1.768 0.650 5.576 1.00 0.79 H new ATOM 0 HE2 LYS A 103 -0.945 1.677 7.557 1.00 0.93 H new ATOM 0 HE3 LYS A 103 -2.175 0.551 8.095 1.00 0.93 H new ATOM 0 HZ1 LYS A 103 -0.077 0.509 9.399 1.00 1.17 H new ATOM 0 HZ2 LYS A 103 -0.525 -1.003 8.767 1.00 1.17 H new ATOM 0 HZ3 LYS A 103 0.722 -0.112 8.035 1.00 1.17 H new ATOM 1347 N ARG A 104 -4.522 -4.256 5.157 1.00 0.37 N ATOM 1348 CA ARG A 104 -5.935 -4.351 4.803 1.00 0.38 C ATOM 1349 C ARG A 104 -6.808 -3.965 5.992 1.00 0.37 C ATOM 1350 O ARG A 104 -6.704 -4.559 7.067 1.00 0.51 O ATOM 1351 CB ARG A 104 -6.285 -5.773 4.357 1.00 0.47 C ATOM 1352 CG ARG A 104 -5.505 -6.246 3.143 1.00 0.63 C ATOM 1353 CD ARG A 104 -5.834 -7.689 2.805 1.00 0.86 C ATOM 1354 NE ARG A 104 -4.937 -8.224 1.786 1.00 1.11 N ATOM 1355 CZ ARG A 104 -5.243 -9.229 0.968 1.00 1.40 C ATOM 1356 NH1 ARG A 104 -6.429 -9.825 1.046 1.00 1.85 N ATOM 1357 NH2 ARG A 104 -4.358 -9.640 0.073 1.00 1.70 N ATOM 0 H ARG A 104 -4.264 -4.779 5.994 1.00 0.37 H new ATOM 0 HA ARG A 104 -6.123 -3.663 3.979 1.00 0.38 H new ATOM 0 HB2 ARG A 104 -6.101 -6.458 5.184 1.00 0.47 H new ATOM 0 HB3 ARG A 104 -7.351 -5.821 4.133 1.00 0.47 H new ATOM 0 HG2 ARG A 104 -5.735 -5.609 2.289 1.00 0.63 H new ATOM 0 HG3 ARG A 104 -4.436 -6.149 3.334 1.00 0.63 H new ATOM 0 HD2 ARG A 104 -5.765 -8.298 3.706 1.00 0.86 H new ATOM 0 HD3 ARG A 104 -6.864 -7.755 2.454 1.00 0.86 H new ATOM 0 HE ARG A 104 -4.014 -7.800 1.694 1.00 1.11 H new ATOM 0 HH11 ARG A 104 -7.112 -9.513 1.736 1.00 1.85 H new ATOM 0 HH12 ARG A 104 -6.656 -10.594 0.416 1.00 1.85 H new ATOM 0 HH21 ARG A 104 -3.446 -9.187 0.012 1.00 1.70 H new ATOM 0 HH22 ARG A 104 -4.588 -10.410 -0.556 1.00 1.70 H new ATOM 1371 N LEU A 105 -7.654 -2.964 5.804 1.00 0.33 N ATOM 1372 CA LEU A 105 -8.547 -2.509 6.863 1.00 0.34 C ATOM 1373 C LEU A 105 -10.004 -2.652 6.433 1.00 0.33 C ATOM 1374 O LEU A 105 -10.399 -2.147 5.387 1.00 0.39 O ATOM 1375 CB LEU A 105 -8.244 -1.054 7.227 1.00 0.37 C ATOM 1376 CG LEU A 105 -6.925 -0.830 7.969 1.00 0.50 C ATOM 1377 CD1 LEU A 105 -6.634 0.657 8.096 1.00 0.70 C ATOM 1378 CD2 LEU A 105 -6.964 -1.485 9.343 1.00 0.82 C ATOM 0 H LEU A 105 -7.742 -2.450 4.928 1.00 0.33 H new ATOM 0 HA LEU A 105 -8.382 -3.131 7.742 1.00 0.34 H new ATOM 0 HB2 LEU A 105 -8.233 -0.462 6.312 1.00 0.37 H new ATOM 0 HB3 LEU A 105 -9.058 -0.673 7.843 1.00 0.37 H new ATOM 0 HG LEU A 105 -6.124 -1.292 7.393 1.00 0.50 H new ATOM 0 HD11 LEU A 105 -5.692 0.799 8.626 1.00 0.70 H new ATOM 0 HD12 LEU A 105 -6.562 1.100 7.103 1.00 0.70 H new ATOM 0 HD13 LEU A 105 -7.439 1.139 8.650 1.00 0.70 H new ATOM 0 HD21 LEU A 105 -6.017 -1.314 9.854 1.00 0.82 H new ATOM 0 HD22 LEU A 105 -7.776 -1.054 9.929 1.00 0.82 H new ATOM 0 HD23 LEU A 105 -7.128 -2.557 9.231 1.00 0.82 H new ATOM 1390 N PHE A 106 -10.792 -3.345 7.240 1.00 0.34 N ATOM 1391 CA PHE A 106 -12.205 -3.554 6.937 1.00 0.34 C ATOM 1392 C PHE A 106 -13.068 -2.543 7.680 1.00 0.35 C ATOM 1393 O PHE A 106 -12.880 -2.318 8.876 1.00 0.37 O ATOM 1394 CB PHE A 106 -12.633 -4.972 7.318 1.00 0.38 C ATOM 1395 CG PHE A 106 -11.992 -6.054 6.496 1.00 0.40 C ATOM 1396 CD1 PHE A 106 -10.786 -6.611 6.882 1.00 0.46 C ATOM 1397 CD2 PHE A 106 -12.603 -6.520 5.345 1.00 0.44 C ATOM 1398 CE1 PHE A 106 -10.200 -7.614 6.133 1.00 0.52 C ATOM 1399 CE2 PHE A 106 -12.024 -7.524 4.592 1.00 0.50 C ATOM 1400 CZ PHE A 106 -10.821 -8.071 4.987 1.00 0.52 C ATOM 0 H PHE A 106 -10.480 -3.774 8.111 1.00 0.34 H new ATOM 0 HA PHE A 106 -12.343 -3.418 5.864 1.00 0.34 H new ATOM 0 HB2 PHE A 106 -12.395 -5.141 8.368 1.00 0.38 H new ATOM 0 HB3 PHE A 106 -13.716 -5.051 7.220 1.00 0.38 H new ATOM 0 HD1 PHE A 106 -10.297 -6.258 7.778 1.00 0.46 H new ATOM 0 HD2 PHE A 106 -13.544 -6.094 5.031 1.00 0.44 H new ATOM 0 HE1 PHE A 106 -9.257 -8.040 6.444 1.00 0.52 H new ATOM 0 HE2 PHE A 106 -12.512 -7.879 3.697 1.00 0.50 H new ATOM 0 HZ PHE A 106 -10.365 -8.855 4.401 1.00 0.52 H new ATOM 1410 N PHE A 107 -14.007 -1.936 6.971 1.00 0.35 N ATOM 1411 CA PHE A 107 -14.903 -0.952 7.562 1.00 0.37 C ATOM 1412 C PHE A 107 -16.345 -1.251 7.169 1.00 0.39 C ATOM 1413 O PHE A 107 -16.677 -1.293 5.982 1.00 0.48 O ATOM 1414 CB PHE A 107 -14.533 0.463 7.104 1.00 0.36 C ATOM 1415 CG PHE A 107 -13.177 0.930 7.562 1.00 0.35 C ATOM 1416 CD1 PHE A 107 -12.991 1.408 8.852 1.00 0.41 C ATOM 1417 CD2 PHE A 107 -12.089 0.895 6.703 1.00 0.38 C ATOM 1418 CE1 PHE A 107 -11.748 1.841 9.273 1.00 0.46 C ATOM 1419 CE2 PHE A 107 -10.845 1.327 7.120 1.00 0.43 C ATOM 1420 CZ PHE A 107 -10.673 1.800 8.406 1.00 0.46 C ATOM 0 H PHE A 107 -14.170 -2.109 5.979 1.00 0.35 H new ATOM 0 HA PHE A 107 -14.802 -1.010 8.646 1.00 0.37 H new ATOM 0 HB2 PHE A 107 -14.568 0.500 6.015 1.00 0.36 H new ATOM 0 HB3 PHE A 107 -15.287 1.159 7.471 1.00 0.36 H new ATOM 0 HD1 PHE A 107 -13.827 1.442 9.534 1.00 0.41 H new ATOM 0 HD2 PHE A 107 -12.216 0.526 5.696 1.00 0.38 H new ATOM 0 HE1 PHE A 107 -11.617 2.211 10.279 1.00 0.46 H new ATOM 0 HE2 PHE A 107 -10.007 1.295 6.440 1.00 0.43 H new ATOM 0 HZ PHE A 107 -9.701 2.137 8.733 1.00 0.46 H new ATOM 1430 N TRP A 108 -17.203 -1.462 8.153 1.00 0.41 N ATOM 1431 CA TRP A 108 -18.601 -1.750 7.877 1.00 0.43 C ATOM 1432 C TRP A 108 -19.444 -0.493 8.051 1.00 0.45 C ATOM 1433 O TRP A 108 -19.284 0.249 9.023 1.00 0.45 O ATOM 1434 CB TRP A 108 -19.123 -2.903 8.750 1.00 0.45 C ATOM 1435 CG TRP A 108 -19.045 -2.664 10.233 1.00 0.48 C ATOM 1436 CD1 TRP A 108 -17.926 -2.689 11.017 1.00 0.51 C ATOM 1437 CD2 TRP A 108 -20.143 -2.384 11.111 1.00 0.55 C ATOM 1438 NE1 TRP A 108 -18.260 -2.434 12.325 1.00 0.58 N ATOM 1439 CE2 TRP A 108 -19.614 -2.242 12.409 1.00 0.60 C ATOM 1440 CE3 TRP A 108 -21.520 -2.229 10.925 1.00 0.61 C ATOM 1441 CZ2 TRP A 108 -20.416 -1.965 13.513 1.00 0.70 C ATOM 1442 CZ3 TRP A 108 -22.314 -1.954 12.023 1.00 0.70 C ATOM 1443 CH2 TRP A 108 -21.759 -1.821 13.303 1.00 0.74 C ATOM 0 H TRP A 108 -16.959 -1.440 9.143 1.00 0.41 H new ATOM 0 HA TRP A 108 -18.683 -2.075 6.840 1.00 0.43 H new ATOM 0 HB2 TRP A 108 -20.161 -3.099 8.483 1.00 0.45 H new ATOM 0 HB3 TRP A 108 -18.557 -3.804 8.512 1.00 0.45 H new ATOM 0 HD1 TRP A 108 -16.925 -2.881 10.660 1.00 0.51 H new ATOM 0 HE1 TRP A 108 -17.606 -2.394 13.107 1.00 0.58 H new ATOM 0 HE3 TRP A 108 -21.956 -2.322 9.941 1.00 0.61 H new ATOM 0 HZ2 TRP A 108 -19.992 -1.867 14.501 1.00 0.70 H new ATOM 0 HZ3 TRP A 108 -23.380 -1.840 11.892 1.00 0.70 H new ATOM 0 HH2 TRP A 108 -22.405 -1.600 14.140 1.00 0.74 H new ATOM 1454 N MET A 109 -20.319 -0.248 7.085 1.00 0.46 N ATOM 1455 CA MET A 109 -21.182 0.928 7.099 1.00 0.48 C ATOM 1456 C MET A 109 -22.181 0.885 8.251 1.00 0.50 C ATOM 1457 O MET A 109 -22.951 -0.066 8.386 1.00 0.51 O ATOM 1458 CB MET A 109 -21.940 1.050 5.772 1.00 0.50 C ATOM 1459 CG MET A 109 -21.043 1.231 4.557 1.00 0.50 C ATOM 1460 SD MET A 109 -20.179 2.816 4.550 1.00 0.58 S ATOM 1461 CE MET A 109 -19.409 2.765 2.935 1.00 0.60 C ATOM 0 H MET A 109 -20.451 -0.853 6.275 1.00 0.46 H new ATOM 0 HA MET A 109 -20.539 1.798 7.237 1.00 0.48 H new ATOM 0 HB2 MET A 109 -22.549 0.157 5.631 1.00 0.50 H new ATOM 0 HB3 MET A 109 -22.625 1.896 5.834 1.00 0.50 H new ATOM 0 HG2 MET A 109 -20.311 0.424 4.529 1.00 0.50 H new ATOM 0 HG3 MET A 109 -21.645 1.147 3.652 1.00 0.50 H new ATOM 0 HE1 MET A 109 -18.879 3.700 2.755 1.00 0.60 H new ATOM 0 HE2 MET A 109 -18.704 1.935 2.894 1.00 0.60 H new ATOM 0 HE3 MET A 109 -20.175 2.629 2.171 1.00 0.60 H new ATOM 1471 N GLN A 110 -22.158 1.921 9.084 1.00 0.51 N ATOM 1472 CA GLN A 110 -23.075 2.012 10.214 1.00 0.53 C ATOM 1473 C GLN A 110 -24.288 2.856 9.833 1.00 0.56 C ATOM 1474 O GLN A 110 -25.268 2.929 10.578 1.00 0.61 O ATOM 1475 CB GLN A 110 -22.379 2.617 11.437 1.00 0.53 C ATOM 1476 CG GLN A 110 -21.423 1.657 12.130 1.00 0.51 C ATOM 1477 CD GLN A 110 -20.778 2.258 13.368 1.00 0.52 C ATOM 1478 OE1 GLN A 110 -20.560 3.465 13.444 1.00 0.55 O ATOM 1479 NE2 GLN A 110 -20.479 1.420 14.350 1.00 0.53 N ATOM 0 H GLN A 110 -21.515 2.708 8.998 1.00 0.51 H new ATOM 0 HA GLN A 110 -23.403 1.005 10.471 1.00 0.53 H new ATOM 0 HB2 GLN A 110 -21.828 3.506 11.129 1.00 0.53 H new ATOM 0 HB3 GLN A 110 -23.135 2.942 12.151 1.00 0.53 H new ATOM 0 HG2 GLN A 110 -21.963 0.753 12.410 1.00 0.51 H new ATOM 0 HG3 GLN A 110 -20.644 1.358 11.429 1.00 0.51 H new ATOM 0 HE21 GLN A 110 -20.676 0.424 14.248 1.00 0.53 H new ATOM 0 HE22 GLN A 110 -20.052 1.771 15.207 1.00 0.53 H new ATOM 1488 N GLU A 111 -24.205 3.481 8.661 1.00 0.57 N ATOM 1489 CA GLU A 111 -25.273 4.333 8.143 1.00 0.60 C ATOM 1490 C GLU A 111 -26.587 3.560 8.021 1.00 0.63 C ATOM 1491 O GLU A 111 -26.586 2.367 7.718 1.00 0.64 O ATOM 1492 CB GLU A 111 -24.866 4.906 6.784 1.00 0.61 C ATOM 1493 CG GLU A 111 -23.661 5.835 6.853 1.00 0.62 C ATOM 1494 CD GLU A 111 -23.976 7.136 7.562 1.00 0.65 C ATOM 1495 OE1 GLU A 111 -25.072 7.692 7.334 1.00 0.73 O ATOM 1496 OE2 GLU A 111 -23.127 7.621 8.342 1.00 0.67 O ATOM 0 H GLU A 111 -23.396 3.411 8.044 1.00 0.57 H new ATOM 0 HA GLU A 111 -25.431 5.151 8.846 1.00 0.60 H new ATOM 0 HB2 GLU A 111 -24.643 4.084 6.104 1.00 0.61 H new ATOM 0 HB3 GLU A 111 -25.710 5.450 6.360 1.00 0.61 H new ATOM 0 HG2 GLU A 111 -22.845 5.330 7.371 1.00 0.62 H new ATOM 0 HG3 GLU A 111 -23.313 6.050 5.843 1.00 0.62 H new ATOM 1503 N PRO A 112 -27.723 4.242 8.250 1.00 0.67 N ATOM 1504 CA PRO A 112 -29.059 3.628 8.188 1.00 0.71 C ATOM 1505 C PRO A 112 -29.414 3.032 6.822 1.00 0.71 C ATOM 1506 O PRO A 112 -29.667 1.831 6.710 1.00 0.79 O ATOM 1507 CB PRO A 112 -30.008 4.786 8.522 1.00 0.77 C ATOM 1508 CG PRO A 112 -29.219 6.031 8.321 1.00 0.82 C ATOM 1509 CD PRO A 112 -27.792 5.671 8.608 1.00 0.71 C ATOM 0 HA PRO A 112 -29.121 2.781 8.871 1.00 0.71 H new ATOM 0 HB2 PRO A 112 -30.885 4.771 7.875 1.00 0.77 H new ATOM 0 HB3 PRO A 112 -30.367 4.713 9.548 1.00 0.77 H new ATOM 0 HG2 PRO A 112 -29.330 6.402 7.302 1.00 0.82 H new ATOM 0 HG3 PRO A 112 -29.563 6.822 8.988 1.00 0.82 H new ATOM 0 HD2 PRO A 112 -27.100 6.268 8.015 1.00 0.71 H new ATOM 0 HD3 PRO A 112 -27.539 5.836 9.655 1.00 0.71 H new ATOM 1517 N LYS A 113 -29.433 3.867 5.786 1.00 0.72 N ATOM 1518 CA LYS A 113 -29.782 3.409 4.445 1.00 0.75 C ATOM 1519 C LYS A 113 -28.566 2.877 3.693 1.00 0.69 C ATOM 1520 O LYS A 113 -27.425 3.191 4.033 1.00 0.70 O ATOM 1521 CB LYS A 113 -30.430 4.542 3.646 1.00 0.86 C ATOM 1522 CG LYS A 113 -31.913 4.332 3.373 1.00 0.99 C ATOM 1523 CD LYS A 113 -32.771 4.796 4.536 1.00 1.05 C ATOM 1524 CE LYS A 113 -34.247 4.571 4.260 1.00 1.11 C ATOM 1525 NZ LYS A 113 -35.113 5.338 5.193 1.00 1.51 N ATOM 0 H LYS A 113 -29.212 4.861 5.849 1.00 0.72 H new ATOM 0 HA LYS A 113 -30.493 2.590 4.557 1.00 0.75 H new ATOM 0 HB2 LYS A 113 -30.299 5.478 4.189 1.00 0.86 H new ATOM 0 HB3 LYS A 113 -29.907 4.649 2.696 1.00 0.86 H new ATOM 0 HG2 LYS A 113 -32.197 4.875 2.472 1.00 0.99 H new ATOM 0 HG3 LYS A 113 -32.101 3.276 3.181 1.00 0.99 H new ATOM 0 HD2 LYS A 113 -32.482 4.259 5.440 1.00 1.05 H new ATOM 0 HD3 LYS A 113 -32.592 5.855 4.723 1.00 1.05 H new ATOM 0 HE2 LYS A 113 -34.472 4.863 3.234 1.00 1.11 H new ATOM 0 HE3 LYS A 113 -34.474 3.508 4.346 1.00 1.11 H new ATOM 0 HZ1 LYS A 113 -36.112 5.155 4.969 1.00 1.51 H new ATOM 0 HZ2 LYS A 113 -34.918 5.042 6.171 1.00 1.51 H new ATOM 0 HZ3 LYS A 113 -34.916 6.354 5.093 1.00 1.51 H new ATOM 1539 N THR A 114 -28.829 2.077 2.663 1.00 0.69 N ATOM 1540 CA THR A 114 -27.780 1.483 1.844 1.00 0.66 C ATOM 1541 C THR A 114 -27.631 2.221 0.511 1.00 0.67 C ATOM 1542 O THR A 114 -26.832 1.828 -0.342 1.00 0.69 O ATOM 1543 CB THR A 114 -28.095 -0.001 1.560 1.00 0.70 C ATOM 1544 OG1 THR A 114 -29.480 -0.146 1.202 1.00 0.90 O ATOM 1545 CG2 THR A 114 -27.792 -0.867 2.773 1.00 0.86 C ATOM 0 H THR A 114 -29.774 1.824 2.374 1.00 0.69 H new ATOM 0 HA THR A 114 -26.846 1.564 2.401 1.00 0.66 H new ATOM 0 HB THR A 114 -27.464 -0.329 0.734 1.00 0.70 H new ATOM 0 HG1 THR A 114 -29.674 -1.089 1.021 1.00 0.90 H new ATOM 0 HG21 THR A 114 -28.023 -1.907 2.544 1.00 0.86 H new ATOM 0 HG22 THR A 114 -26.736 -0.778 3.029 1.00 0.86 H new ATOM 0 HG23 THR A 114 -28.399 -0.537 3.616 1.00 0.86 H new ATOM 1553 N ASP A 115 -28.397 3.296 0.346 1.00 0.69 N ATOM 1554 CA ASP A 115 -28.377 4.082 -0.892 1.00 0.72 C ATOM 1555 C ASP A 115 -27.045 4.783 -1.097 1.00 0.68 C ATOM 1556 O ASP A 115 -26.488 4.768 -2.197 1.00 0.72 O ATOM 1557 CB ASP A 115 -29.484 5.139 -0.886 1.00 0.79 C ATOM 1558 CG ASP A 115 -30.873 4.549 -0.975 1.00 0.94 C ATOM 1559 OD1 ASP A 115 -31.247 4.054 -2.056 1.00 1.19 O ATOM 1560 OD2 ASP A 115 -31.602 4.580 0.041 1.00 1.14 O ATOM 0 H ASP A 115 -29.042 3.646 1.054 1.00 0.69 H new ATOM 0 HA ASP A 115 -28.537 3.377 -1.708 1.00 0.72 H new ATOM 0 HB2 ASP A 115 -29.406 5.732 0.025 1.00 0.79 H new ATOM 0 HB3 ASP A 115 -29.331 5.820 -1.723 1.00 0.79 H new ATOM 1565 N GLN A 116 -26.530 5.392 -0.037 1.00 0.66 N ATOM 1566 CA GLN A 116 -25.280 6.134 -0.127 1.00 0.64 C ATOM 1567 C GLN A 116 -24.080 5.269 0.239 1.00 0.60 C ATOM 1568 O GLN A 116 -22.973 5.780 0.397 1.00 0.59 O ATOM 1569 CB GLN A 116 -25.327 7.375 0.771 1.00 0.70 C ATOM 1570 CG GLN A 116 -26.514 8.282 0.498 1.00 0.77 C ATOM 1571 CD GLN A 116 -26.605 8.727 -0.949 1.00 0.83 C ATOM 1572 OE1 GLN A 116 -27.248 8.080 -1.774 1.00 0.90 O ATOM 1573 NE2 GLN A 116 -25.963 9.840 -1.264 1.00 0.92 N ATOM 0 H GLN A 116 -26.956 5.387 0.890 1.00 0.66 H new ATOM 0 HA GLN A 116 -25.161 6.446 -1.165 1.00 0.64 H new ATOM 0 HB2 GLN A 116 -25.356 7.057 1.813 1.00 0.70 H new ATOM 0 HB3 GLN A 116 -24.407 7.945 0.637 1.00 0.70 H new ATOM 0 HG2 GLN A 116 -27.432 7.760 0.769 1.00 0.77 H new ATOM 0 HG3 GLN A 116 -26.446 9.161 1.138 1.00 0.77 H new ATOM 0 HE21 GLN A 116 -25.441 10.347 -0.550 1.00 0.92 H new ATOM 0 HE22 GLN A 116 -25.990 10.191 -2.221 1.00 0.92 H new ATOM 1582 N ASP A 117 -24.294 3.962 0.366 1.00 0.59 N ATOM 1583 CA ASP A 117 -23.208 3.040 0.699 1.00 0.58 C ATOM 1584 C ASP A 117 -22.144 3.101 -0.384 1.00 0.55 C ATOM 1585 O ASP A 117 -20.981 3.431 -0.124 1.00 0.53 O ATOM 1586 CB ASP A 117 -23.728 1.603 0.838 1.00 0.60 C ATOM 1587 CG ASP A 117 -24.019 1.210 2.275 1.00 0.62 C ATOM 1588 OD1 ASP A 117 -24.216 2.114 3.120 1.00 0.67 O ATOM 1589 OD2 ASP A 117 -24.066 -0.006 2.570 1.00 0.64 O ATOM 0 H ASP A 117 -25.204 3.518 0.244 1.00 0.59 H new ATOM 0 HA ASP A 117 -22.779 3.339 1.655 1.00 0.58 H new ATOM 0 HB2 ASP A 117 -24.637 1.493 0.247 1.00 0.60 H new ATOM 0 HB3 ASP A 117 -22.992 0.915 0.422 1.00 0.60 H new ATOM 1594 N GLU A 118 -22.570 2.827 -1.608 1.00 0.56 N ATOM 1595 CA GLU A 118 -21.682 2.850 -2.758 1.00 0.56 C ATOM 1596 C GLU A 118 -21.236 4.274 -3.077 1.00 0.55 C ATOM 1597 O GLU A 118 -20.122 4.491 -3.554 1.00 0.55 O ATOM 1598 CB GLU A 118 -22.380 2.232 -3.965 1.00 0.59 C ATOM 1599 CG GLU A 118 -22.246 0.723 -4.021 1.00 0.62 C ATOM 1600 CD GLU A 118 -20.820 0.284 -4.249 1.00 0.64 C ATOM 1601 OE1 GLU A 118 -20.301 0.505 -5.367 1.00 0.85 O ATOM 1602 OE2 GLU A 118 -20.204 -0.279 -3.318 1.00 0.70 O ATOM 0 H GLU A 118 -23.535 2.584 -1.830 1.00 0.56 H new ATOM 0 HA GLU A 118 -20.794 2.264 -2.519 1.00 0.56 H new ATOM 0 HB2 GLU A 118 -23.437 2.496 -3.941 1.00 0.59 H new ATOM 0 HB3 GLU A 118 -21.965 2.662 -4.877 1.00 0.59 H new ATOM 0 HG2 GLU A 118 -22.612 0.293 -3.089 1.00 0.62 H new ATOM 0 HG3 GLU A 118 -22.876 0.334 -4.821 1.00 0.62 H new ATOM 1609 N GLU A 119 -22.110 5.239 -2.802 1.00 0.57 N ATOM 1610 CA GLU A 119 -21.807 6.645 -3.046 1.00 0.59 C ATOM 1611 C GLU A 119 -20.639 7.078 -2.167 1.00 0.56 C ATOM 1612 O GLU A 119 -19.734 7.781 -2.615 1.00 0.57 O ATOM 1613 CB GLU A 119 -23.038 7.514 -2.762 1.00 0.64 C ATOM 1614 CG GLU A 119 -22.831 8.995 -3.042 1.00 0.71 C ATOM 1615 CD GLU A 119 -22.561 9.289 -4.503 1.00 0.84 C ATOM 1616 OE1 GLU A 119 -23.192 8.651 -5.374 1.00 1.12 O ATOM 1617 OE2 GLU A 119 -21.725 10.169 -4.796 1.00 1.25 O ATOM 0 H GLU A 119 -23.036 5.071 -2.409 1.00 0.57 H new ATOM 0 HA GLU A 119 -21.532 6.772 -4.093 1.00 0.59 H new ATOM 0 HB2 GLU A 119 -23.871 7.154 -3.366 1.00 0.64 H new ATOM 0 HB3 GLU A 119 -23.324 7.389 -1.718 1.00 0.64 H new ATOM 0 HG2 GLU A 119 -23.716 9.546 -2.724 1.00 0.71 H new ATOM 0 HG3 GLU A 119 -21.996 9.359 -2.443 1.00 0.71 H new ATOM 1624 N HIS A 120 -20.657 6.630 -0.913 1.00 0.55 N ATOM 1625 CA HIS A 120 -19.593 6.952 0.027 1.00 0.54 C ATOM 1626 C HIS A 120 -18.274 6.363 -0.458 1.00 0.51 C ATOM 1627 O HIS A 120 -17.247 7.038 -0.460 1.00 0.52 O ATOM 1628 CB HIS A 120 -19.918 6.421 1.430 1.00 0.55 C ATOM 1629 CG HIS A 120 -20.807 7.326 2.229 1.00 0.59 C ATOM 1630 ND1 HIS A 120 -21.946 6.892 2.877 1.00 0.64 N ATOM 1631 CD2 HIS A 120 -20.712 8.650 2.491 1.00 0.71 C ATOM 1632 CE1 HIS A 120 -22.510 7.910 3.500 1.00 0.68 C ATOM 1633 NE2 HIS A 120 -21.780 8.986 3.281 1.00 0.74 N ATOM 0 H HIS A 120 -21.397 6.044 -0.528 1.00 0.55 H new ATOM 0 HA HIS A 120 -19.505 8.037 0.084 1.00 0.54 H new ATOM 0 HB2 HIS A 120 -20.397 5.446 1.337 1.00 0.55 H new ATOM 0 HB3 HIS A 120 -18.987 6.268 1.975 1.00 0.55 H new ATOM 0 HD2 HIS A 120 -19.938 9.318 2.142 1.00 0.71 H new ATOM 0 HE1 HIS A 120 -23.415 7.869 4.088 1.00 0.68 H new ATOM 0 HE2 HIS A 120 -21.979 9.919 3.642 1.00 0.74 H new ATOM 1642 N CYS A 121 -18.323 5.103 -0.888 1.00 0.49 N ATOM 1643 CA CYS A 121 -17.143 4.406 -1.389 1.00 0.48 C ATOM 1644 C CYS A 121 -16.547 5.138 -2.586 1.00 0.48 C ATOM 1645 O CYS A 121 -15.326 5.288 -2.691 1.00 0.47 O ATOM 1646 CB CYS A 121 -17.508 2.973 -1.785 1.00 0.49 C ATOM 1647 SG CYS A 121 -16.120 2.001 -2.423 1.00 0.48 S ATOM 0 H CYS A 121 -19.175 4.542 -0.899 1.00 0.49 H new ATOM 0 HA CYS A 121 -16.398 4.381 -0.594 1.00 0.48 H new ATOM 0 HB2 CYS A 121 -17.925 2.463 -0.916 1.00 0.49 H new ATOM 0 HB3 CYS A 121 -18.292 3.006 -2.542 1.00 0.49 H new ATOM 0 HG CYS A 121 -15.088 2.159 -1.649 1.00 0.48 H new ATOM 1653 N ARG A 122 -17.416 5.593 -3.478 1.00 0.51 N ATOM 1654 CA ARG A 122 -17.000 6.315 -4.668 1.00 0.54 C ATOM 1655 C ARG A 122 -16.195 7.555 -4.289 1.00 0.53 C ATOM 1656 O ARG A 122 -15.079 7.749 -4.775 1.00 0.54 O ATOM 1657 CB ARG A 122 -18.231 6.696 -5.497 1.00 0.59 C ATOM 1658 CG ARG A 122 -17.973 7.768 -6.543 1.00 0.85 C ATOM 1659 CD ARG A 122 -19.025 7.732 -7.641 1.00 0.89 C ATOM 1660 NE ARG A 122 -20.389 7.604 -7.110 1.00 1.09 N ATOM 1661 CZ ARG A 122 -21.242 6.628 -7.454 1.00 0.97 C ATOM 1662 NH1 ARG A 122 -20.881 5.687 -8.322 1.00 1.44 N ATOM 1663 NH2 ARG A 122 -22.460 6.594 -6.932 1.00 1.52 N ATOM 0 H ARG A 122 -18.425 5.472 -3.396 1.00 0.51 H new ATOM 0 HA ARG A 122 -16.358 5.671 -5.269 1.00 0.54 H new ATOM 0 HB2 ARG A 122 -18.610 5.803 -5.994 1.00 0.59 H new ATOM 0 HB3 ARG A 122 -19.015 7.043 -4.824 1.00 0.59 H new ATOM 0 HG2 ARG A 122 -17.972 8.749 -6.069 1.00 0.85 H new ATOM 0 HG3 ARG A 122 -16.984 7.624 -6.979 1.00 0.85 H new ATOM 0 HD2 ARG A 122 -18.955 8.642 -8.237 1.00 0.89 H new ATOM 0 HD3 ARG A 122 -18.819 6.896 -8.310 1.00 0.89 H new ATOM 0 HE ARG A 122 -20.707 8.302 -6.437 1.00 1.09 H new ATOM 0 HH11 ARG A 122 -19.948 5.703 -8.733 1.00 1.44 H new ATOM 0 HH12 ARG A 122 -21.538 4.949 -8.577 1.00 1.44 H new ATOM 0 HH21 ARG A 122 -22.750 7.311 -6.267 1.00 1.52 H new ATOM 0 HH22 ARG A 122 -23.107 5.851 -7.195 1.00 1.52 H new ATOM 1677 N LYS A 123 -16.748 8.355 -3.385 1.00 0.53 N ATOM 1678 CA LYS A 123 -16.095 9.581 -2.937 1.00 0.53 C ATOM 1679 C LYS A 123 -14.758 9.288 -2.263 1.00 0.51 C ATOM 1680 O LYS A 123 -13.800 10.044 -2.424 1.00 0.53 O ATOM 1681 CB LYS A 123 -17.005 10.347 -1.977 1.00 0.56 C ATOM 1682 CG LYS A 123 -18.291 10.848 -2.617 1.00 0.63 C ATOM 1683 CD LYS A 123 -19.022 11.821 -1.706 1.00 0.73 C ATOM 1684 CE LYS A 123 -20.328 12.287 -2.322 1.00 0.85 C ATOM 1685 NZ LYS A 123 -20.920 13.425 -1.572 1.00 1.12 N ATOM 0 H LYS A 123 -17.651 8.176 -2.946 1.00 0.53 H new ATOM 0 HA LYS A 123 -15.903 10.194 -3.818 1.00 0.53 H new ATOM 0 HB2 LYS A 123 -17.257 9.701 -1.136 1.00 0.56 H new ATOM 0 HB3 LYS A 123 -16.456 11.197 -1.572 1.00 0.56 H new ATOM 0 HG2 LYS A 123 -18.061 11.336 -3.564 1.00 0.63 H new ATOM 0 HG3 LYS A 123 -18.940 10.002 -2.844 1.00 0.63 H new ATOM 0 HD2 LYS A 123 -19.221 11.343 -0.747 1.00 0.73 H new ATOM 0 HD3 LYS A 123 -18.385 12.683 -1.507 1.00 0.73 H new ATOM 0 HE2 LYS A 123 -20.156 12.584 -3.356 1.00 0.85 H new ATOM 0 HE3 LYS A 123 -21.036 11.458 -2.342 1.00 0.85 H new ATOM 0 HZ1 LYS A 123 -21.811 13.713 -2.025 1.00 1.12 H new ATOM 0 HZ2 LYS A 123 -21.108 13.134 -0.591 1.00 1.12 H new ATOM 0 HZ3 LYS A 123 -20.256 14.225 -1.574 1.00 1.12 H new ATOM 1699 N VAL A 124 -14.694 8.200 -1.502 1.00 0.48 N ATOM 1700 CA VAL A 124 -13.464 7.819 -0.817 1.00 0.46 C ATOM 1701 C VAL A 124 -12.331 7.621 -1.822 1.00 0.45 C ATOM 1702 O VAL A 124 -11.264 8.217 -1.696 1.00 0.45 O ATOM 1703 CB VAL A 124 -13.640 6.534 0.017 1.00 0.45 C ATOM 1704 CG1 VAL A 124 -12.307 6.071 0.587 1.00 0.43 C ATOM 1705 CG2 VAL A 124 -14.639 6.754 1.140 1.00 0.50 C ATOM 0 H VAL A 124 -15.478 7.567 -1.344 1.00 0.48 H new ATOM 0 HA VAL A 124 -13.214 8.633 -0.136 1.00 0.46 H new ATOM 0 HB VAL A 124 -14.023 5.757 -0.644 1.00 0.45 H new ATOM 0 HG11 VAL A 124 -12.457 5.163 1.171 1.00 0.43 H new ATOM 0 HG12 VAL A 124 -11.614 5.867 -0.229 1.00 0.43 H new ATOM 0 HG13 VAL A 124 -11.895 6.851 1.227 1.00 0.43 H new ATOM 0 HG21 VAL A 124 -14.748 5.835 1.716 1.00 0.50 H new ATOM 0 HG22 VAL A 124 -14.283 7.551 1.793 1.00 0.50 H new ATOM 0 HG23 VAL A 124 -15.604 7.035 0.719 1.00 0.50 H new ATOM 1715 N ASN A 125 -12.583 6.810 -2.838 1.00 0.46 N ATOM 1716 CA ASN A 125 -11.582 6.538 -3.862 1.00 0.48 C ATOM 1717 C ASN A 125 -11.198 7.813 -4.605 1.00 0.49 C ATOM 1718 O ASN A 125 -10.023 8.041 -4.904 1.00 0.52 O ATOM 1719 CB ASN A 125 -12.108 5.501 -4.853 1.00 0.50 C ATOM 1720 CG ASN A 125 -11.843 4.081 -4.398 1.00 0.51 C ATOM 1721 OD1 ASN A 125 -10.767 3.765 -3.884 1.00 0.69 O ATOM 1722 ND2 ASN A 125 -12.827 3.217 -4.568 1.00 0.77 N ATOM 0 H ASN A 125 -13.471 6.328 -2.977 1.00 0.46 H new ATOM 0 HA ASN A 125 -10.693 6.146 -3.368 1.00 0.48 H new ATOM 0 HB2 ASN A 125 -13.180 5.642 -4.988 1.00 0.50 H new ATOM 0 HB3 ASN A 125 -11.641 5.661 -5.825 1.00 0.50 H new ATOM 0 HD21 ASN A 125 -12.712 2.248 -4.270 1.00 0.77 H new ATOM 0 HD22 ASN A 125 -13.702 3.518 -4.997 1.00 0.77 H new ATOM 1729 N GLU A 126 -12.192 8.650 -4.874 1.00 0.52 N ATOM 1730 CA GLU A 126 -11.974 9.902 -5.584 1.00 0.56 C ATOM 1731 C GLU A 126 -11.013 10.817 -4.830 1.00 0.55 C ATOM 1732 O GLU A 126 -9.977 11.199 -5.353 1.00 0.64 O ATOM 1733 CB GLU A 126 -13.296 10.633 -5.803 1.00 0.64 C ATOM 1734 CG GLU A 126 -14.254 9.908 -6.729 1.00 0.76 C ATOM 1735 CD GLU A 126 -15.524 10.695 -6.973 1.00 0.91 C ATOM 1736 OE1 GLU A 126 -16.253 10.982 -6.000 1.00 1.30 O ATOM 1737 OE2 GLU A 126 -15.789 11.048 -8.140 1.00 1.27 O ATOM 0 H GLU A 126 -13.163 8.482 -4.609 1.00 0.52 H new ATOM 0 HA GLU A 126 -11.530 9.651 -6.547 1.00 0.56 H new ATOM 0 HB2 GLU A 126 -13.781 10.782 -4.839 1.00 0.64 H new ATOM 0 HB3 GLU A 126 -13.089 11.622 -6.212 1.00 0.64 H new ATOM 0 HG2 GLU A 126 -13.760 9.716 -7.681 1.00 0.76 H new ATOM 0 HG3 GLU A 126 -14.507 8.938 -6.300 1.00 0.76 H new ATOM 1744 N TYR A 127 -11.350 11.125 -3.589 1.00 0.53 N ATOM 1745 CA TYR A 127 -10.541 12.026 -2.765 1.00 0.55 C ATOM 1746 C TYR A 127 -9.157 11.464 -2.433 1.00 0.52 C ATOM 1747 O TYR A 127 -8.228 12.225 -2.174 1.00 0.60 O ATOM 1748 CB TYR A 127 -11.272 12.337 -1.460 1.00 0.59 C ATOM 1749 CG TYR A 127 -12.346 13.400 -1.571 1.00 0.62 C ATOM 1750 CD1 TYR A 127 -12.034 14.745 -1.421 1.00 0.73 C ATOM 1751 CD2 TYR A 127 -13.673 13.060 -1.800 1.00 0.69 C ATOM 1752 CE1 TYR A 127 -13.012 15.718 -1.491 1.00 0.79 C ATOM 1753 CE2 TYR A 127 -14.658 14.028 -1.878 1.00 0.74 C ATOM 1754 CZ TYR A 127 -14.324 15.356 -1.720 1.00 0.74 C ATOM 1755 OH TYR A 127 -15.309 16.321 -1.780 1.00 0.84 O ATOM 0 H TYR A 127 -12.182 10.765 -3.122 1.00 0.53 H new ATOM 0 HA TYR A 127 -10.394 12.930 -3.356 1.00 0.55 H new ATOM 0 HB2 TYR A 127 -11.726 11.419 -1.087 1.00 0.59 H new ATOM 0 HB3 TYR A 127 -10.541 12.656 -0.717 1.00 0.59 H new ATOM 0 HD1 TYR A 127 -11.008 15.035 -1.247 1.00 0.73 H new ATOM 0 HD2 TYR A 127 -13.941 12.021 -1.919 1.00 0.69 H new ATOM 0 HE1 TYR A 127 -12.751 16.759 -1.367 1.00 0.79 H new ATOM 0 HE2 TYR A 127 -15.684 13.745 -2.062 1.00 0.74 H new ATOM 0 HH TYR A 127 -16.175 15.894 -1.949 1.00 0.84 H new ATOM 1765 N LEU A 128 -9.013 10.145 -2.440 1.00 0.49 N ATOM 1766 CA LEU A 128 -7.735 9.527 -2.085 1.00 0.49 C ATOM 1767 C LEU A 128 -6.750 9.457 -3.251 1.00 0.53 C ATOM 1768 O LEU A 128 -5.553 9.679 -3.065 1.00 0.69 O ATOM 1769 CB LEU A 128 -7.957 8.121 -1.515 1.00 0.46 C ATOM 1770 CG LEU A 128 -8.718 8.068 -0.185 1.00 0.42 C ATOM 1771 CD1 LEU A 128 -8.697 6.663 0.390 1.00 0.49 C ATOM 1772 CD2 LEU A 128 -8.133 9.055 0.813 1.00 0.44 C ATOM 0 H LEU A 128 -9.753 9.487 -2.684 1.00 0.49 H new ATOM 0 HA LEU A 128 -7.289 10.172 -1.328 1.00 0.49 H new ATOM 0 HB2 LEU A 128 -8.502 7.530 -2.251 1.00 0.46 H new ATOM 0 HB3 LEU A 128 -6.986 7.644 -1.379 1.00 0.46 H new ATOM 0 HG LEU A 128 -9.753 8.348 -0.379 1.00 0.42 H new ATOM 0 HD11 LEU A 128 -9.243 6.648 1.334 1.00 0.49 H new ATOM 0 HD12 LEU A 128 -9.168 5.975 -0.312 1.00 0.49 H new ATOM 0 HD13 LEU A 128 -7.665 6.356 0.562 1.00 0.49 H new ATOM 0 HD21 LEU A 128 -8.689 8.999 1.749 1.00 0.44 H new ATOM 0 HD22 LEU A 128 -7.087 8.809 0.997 1.00 0.44 H new ATOM 0 HD23 LEU A 128 -8.203 10.065 0.409 1.00 0.44 H new ATOM 1784 N ASN A 129 -7.236 9.156 -4.445 1.00 0.54 N ATOM 1785 CA ASN A 129 -6.343 9.035 -5.601 1.00 0.59 C ATOM 1786 C ASN A 129 -6.433 10.233 -6.540 1.00 0.65 C ATOM 1787 O ASN A 129 -5.549 10.438 -7.375 1.00 0.78 O ATOM 1788 CB ASN A 129 -6.640 7.751 -6.378 1.00 0.64 C ATOM 1789 CG ASN A 129 -6.026 6.518 -5.742 1.00 0.68 C ATOM 1790 OD1 ASN A 129 -4.831 6.254 -5.894 1.00 0.81 O ATOM 1791 ND2 ASN A 129 -6.838 5.746 -5.033 1.00 0.89 N ATOM 0 H ASN A 129 -8.223 8.993 -4.644 1.00 0.54 H new ATOM 0 HA ASN A 129 -5.327 9.001 -5.206 1.00 0.59 H new ATOM 0 HB2 ASN A 129 -7.719 7.617 -6.449 1.00 0.64 H new ATOM 0 HB3 ASN A 129 -6.264 7.854 -7.396 1.00 0.64 H new ATOM 0 HD21 ASN A 129 -6.480 4.900 -4.590 1.00 0.89 H new ATOM 0 HD22 ASN A 129 -7.821 5.998 -4.930 1.00 0.89 H new ATOM 1798 N ASN A 130 -7.483 11.024 -6.412 1.00 0.67 N ATOM 1799 CA ASN A 130 -7.666 12.184 -7.279 1.00 0.74 C ATOM 1800 C ASN A 130 -7.719 13.458 -6.447 1.00 0.80 C ATOM 1801 O ASN A 130 -8.729 14.193 -6.533 1.00 0.99 O ATOM 1802 CB ASN A 130 -8.953 12.048 -8.107 1.00 0.82 C ATOM 1803 CG ASN A 130 -9.087 10.694 -8.779 1.00 0.91 C ATOM 1804 OD1 ASN A 130 -8.708 10.517 -9.936 1.00 1.10 O ATOM 1805 ND2 ASN A 130 -9.629 9.727 -8.055 1.00 1.09 N ATOM 0 H ASN A 130 -8.221 10.889 -5.721 1.00 0.67 H new ATOM 0 HA ASN A 130 -6.818 12.237 -7.962 1.00 0.74 H new ATOM 0 HB2 ASN A 130 -9.814 12.212 -7.459 1.00 0.82 H new ATOM 0 HB3 ASN A 130 -8.973 12.828 -8.868 1.00 0.82 H new ATOM 0 HD21 ASN A 130 -9.745 8.795 -8.454 1.00 1.09 H new ATOM 0 HD22 ASN A 130 -9.931 9.914 -7.099 1.00 1.09 H new TER 1812 ASN A 130 ATOM 1813 N ALA B 26 36.882 -7.493 7.919 1.00 1.24 N ATOM 1814 CA ALA B 26 35.915 -7.018 8.935 1.00 1.15 C ATOM 1815 C ALA B 26 34.491 -7.092 8.394 1.00 1.06 C ATOM 1816 O ALA B 26 34.155 -6.424 7.417 1.00 1.08 O ATOM 1817 CB ALA B 26 36.254 -5.594 9.351 1.00 1.27 C ATOM 0 HA ALA B 26 35.981 -7.664 9.810 1.00 1.15 H new ATOM 0 HB1 ALA B 26 35.538 -5.253 10.098 1.00 1.27 H new ATOM 0 HB2 ALA B 26 37.259 -5.568 9.773 1.00 1.27 H new ATOM 0 HB3 ALA B 26 36.209 -4.940 8.480 1.00 1.27 H new ATOM 1825 N PRO B 27 33.638 -7.924 9.008 1.00 1.03 N ATOM 1826 CA PRO B 27 32.245 -8.081 8.581 1.00 0.98 C ATOM 1827 C PRO B 27 31.404 -6.832 8.846 1.00 0.96 C ATOM 1828 O PRO B 27 31.483 -6.225 9.914 1.00 1.05 O ATOM 1829 CB PRO B 27 31.743 -9.255 9.425 1.00 1.03 C ATOM 1830 CG PRO B 27 32.631 -9.286 10.619 1.00 1.15 C ATOM 1831 CD PRO B 27 33.967 -8.788 10.157 1.00 1.12 C ATOM 0 HA PRO B 27 32.168 -8.247 7.506 1.00 0.98 H new ATOM 0 HB2 PRO B 27 30.701 -9.116 9.713 1.00 1.03 H new ATOM 0 HB3 PRO B 27 31.798 -10.191 8.869 1.00 1.03 H new ATOM 0 HG2 PRO B 27 32.235 -8.656 11.416 1.00 1.15 H new ATOM 0 HG3 PRO B 27 32.709 -10.296 11.020 1.00 1.15 H new ATOM 0 HD2 PRO B 27 34.481 -8.233 10.942 1.00 1.12 H new ATOM 0 HD3 PRO B 27 34.622 -9.609 9.866 1.00 1.12 H new ATOM 1839 N ALA B 28 30.599 -6.454 7.865 1.00 0.95 N ATOM 1840 CA ALA B 28 29.745 -5.283 7.985 1.00 0.96 C ATOM 1841 C ALA B 28 28.289 -5.655 7.729 1.00 0.90 C ATOM 1842 O ALA B 28 27.555 -4.910 7.079 1.00 0.88 O ATOM 1843 CB ALA B 28 30.203 -4.204 7.020 1.00 1.04 C ATOM 0 H ALA B 28 30.519 -6.944 6.974 1.00 0.95 H new ATOM 0 HA ALA B 28 29.821 -4.895 9.001 1.00 0.96 H new ATOM 0 HB1 ALA B 28 29.557 -3.331 7.117 1.00 1.04 H new ATOM 0 HB2 ALA B 28 31.231 -3.923 7.250 1.00 1.04 H new ATOM 0 HB3 ALA B 28 30.150 -4.583 5.999 1.00 1.04 H new ATOM 1849 N GLU B 29 27.889 -6.812 8.259 1.00 0.93 N ATOM 1850 CA GLU B 29 26.527 -7.331 8.100 1.00 0.90 C ATOM 1851 C GLU B 29 26.141 -7.438 6.627 1.00 0.85 C ATOM 1852 O GLU B 29 25.512 -6.539 6.072 1.00 0.82 O ATOM 1853 CB GLU B 29 25.510 -6.466 8.857 1.00 0.91 C ATOM 1854 CG GLU B 29 25.356 -6.856 10.318 1.00 1.14 C ATOM 1855 CD GLU B 29 24.222 -6.124 11.008 1.00 1.10 C ATOM 1856 OE1 GLU B 29 23.063 -6.586 10.918 1.00 1.29 O ATOM 1857 OE2 GLU B 29 24.487 -5.097 11.670 1.00 1.30 O ATOM 0 H GLU B 29 28.498 -7.416 8.810 1.00 0.93 H new ATOM 0 HA GLU B 29 26.511 -8.333 8.529 1.00 0.90 H new ATOM 0 HB2 GLU B 29 25.817 -5.422 8.798 1.00 0.91 H new ATOM 0 HB3 GLU B 29 24.541 -6.542 8.364 1.00 0.91 H new ATOM 0 HG2 GLU B 29 25.183 -7.930 10.386 1.00 1.14 H new ATOM 0 HG3 GLU B 29 26.288 -6.650 10.844 1.00 1.14 H new ATOM 1864 N PRO B 30 26.499 -8.558 5.976 1.00 0.88 N ATOM 1865 CA PRO B 30 26.200 -8.792 4.559 1.00 0.88 C ATOM 1866 C PRO B 30 24.733 -9.161 4.324 1.00 0.82 C ATOM 1867 O PRO B 30 24.408 -9.951 3.438 1.00 0.85 O ATOM 1868 CB PRO B 30 27.115 -9.969 4.184 1.00 1.00 C ATOM 1869 CG PRO B 30 27.961 -10.248 5.382 1.00 1.07 C ATOM 1870 CD PRO B 30 27.222 -9.689 6.561 1.00 0.98 C ATOM 0 HA PRO B 30 26.368 -7.898 3.959 1.00 0.88 H new ATOM 0 HB2 PRO B 30 26.527 -10.846 3.912 1.00 1.00 H new ATOM 0 HB3 PRO B 30 27.734 -9.720 3.322 1.00 1.00 H new ATOM 0 HG2 PRO B 30 28.127 -11.319 5.500 1.00 1.07 H new ATOM 0 HG3 PRO B 30 28.942 -9.783 5.282 1.00 1.07 H new ATOM 0 HD2 PRO B 30 26.544 -10.421 6.999 1.00 0.98 H new ATOM 0 HD3 PRO B 30 27.901 -9.371 7.352 1.00 0.98 H new ATOM 1878 N LYS B 31 23.858 -8.581 5.128 1.00 0.78 N ATOM 1879 CA LYS B 31 22.432 -8.824 5.020 1.00 0.74 C ATOM 1880 C LYS B 31 21.810 -7.774 4.111 1.00 0.69 C ATOM 1881 O LYS B 31 21.263 -6.775 4.577 1.00 0.73 O ATOM 1882 CB LYS B 31 21.771 -8.792 6.402 1.00 0.76 C ATOM 1883 CG LYS B 31 22.384 -9.769 7.398 1.00 0.92 C ATOM 1884 CD LYS B 31 21.445 -10.927 7.711 1.00 1.11 C ATOM 1885 CE LYS B 31 21.213 -11.811 6.496 1.00 1.32 C ATOM 1886 NZ LYS B 31 20.443 -13.036 6.833 1.00 1.45 N ATOM 0 H LYS B 31 24.116 -7.931 5.871 1.00 0.78 H new ATOM 0 HA LYS B 31 22.271 -9.814 4.593 1.00 0.74 H new ATOM 0 HB2 LYS B 31 21.843 -7.782 6.806 1.00 0.76 H new ATOM 0 HB3 LYS B 31 20.710 -9.017 6.293 1.00 0.76 H new ATOM 0 HG2 LYS B 31 23.319 -10.159 6.995 1.00 0.92 H new ATOM 0 HG3 LYS B 31 22.629 -9.241 8.320 1.00 0.92 H new ATOM 0 HD2 LYS B 31 21.863 -11.525 8.521 1.00 1.11 H new ATOM 0 HD3 LYS B 31 20.491 -10.536 8.063 1.00 1.11 H new ATOM 0 HE2 LYS B 31 20.677 -11.245 5.734 1.00 1.32 H new ATOM 0 HE3 LYS B 31 22.174 -12.094 6.066 1.00 1.32 H new ATOM 0 HZ1 LYS B 31 20.309 -13.608 5.975 1.00 1.45 H new ATOM 0 HZ2 LYS B 31 20.965 -13.591 7.541 1.00 1.45 H new ATOM 0 HZ3 LYS B 31 19.515 -12.768 7.219 1.00 1.45 H new ATOM 1900 N ILE B 32 21.935 -7.989 2.813 1.00 0.68 N ATOM 1901 CA ILE B 32 21.403 -7.061 1.830 1.00 0.66 C ATOM 1902 C ILE B 32 19.950 -7.389 1.511 1.00 0.62 C ATOM 1903 O ILE B 32 19.636 -8.490 1.045 1.00 0.67 O ATOM 1904 CB ILE B 32 22.245 -7.082 0.538 1.00 0.71 C ATOM 1905 CG1 ILE B 32 23.658 -6.572 0.827 1.00 0.88 C ATOM 1906 CG2 ILE B 32 21.594 -6.244 -0.551 1.00 0.80 C ATOM 1907 CD1 ILE B 32 24.752 -7.487 0.329 1.00 1.20 C ATOM 0 H ILE B 32 22.403 -8.803 2.414 1.00 0.68 H new ATOM 0 HA ILE B 32 21.451 -6.060 2.258 1.00 0.66 H new ATOM 0 HB ILE B 32 22.303 -8.111 0.182 1.00 0.71 H new ATOM 0 HG12 ILE B 32 23.781 -5.591 0.368 1.00 0.88 H new ATOM 0 HG13 ILE B 32 23.772 -6.437 1.903 1.00 0.88 H new ATOM 0 HG21 ILE B 32 22.208 -6.276 -1.451 1.00 0.80 H new ATOM 0 HG22 ILE B 32 20.604 -6.642 -0.773 1.00 0.80 H new ATOM 0 HG23 ILE B 32 21.503 -5.213 -0.211 1.00 0.80 H new ATOM 0 HD11 ILE B 32 25.724 -7.057 0.571 1.00 1.20 H new ATOM 0 HD12 ILE B 32 24.657 -8.462 0.807 1.00 1.20 H new ATOM 0 HD13 ILE B 32 24.666 -7.603 -0.751 1.00 1.20 H new ATOM 1919 N ILE B 33 19.069 -6.438 1.782 1.00 0.58 N ATOM 1920 CA ILE B 33 17.643 -6.607 1.535 1.00 0.56 C ATOM 1921 C ILE B 33 17.245 -5.957 0.215 1.00 0.54 C ATOM 1922 O ILE B 33 18.053 -5.272 -0.425 1.00 0.60 O ATOM 1923 CB ILE B 33 16.791 -6.017 2.683 1.00 0.56 C ATOM 1924 CG1 ILE B 33 17.087 -4.523 2.857 1.00 0.59 C ATOM 1925 CG2 ILE B 33 17.057 -6.774 3.976 1.00 0.67 C ATOM 1926 CD1 ILE B 33 16.262 -3.856 3.936 1.00 0.67 C ATOM 0 H ILE B 33 19.319 -5.532 2.177 1.00 0.58 H new ATOM 0 HA ILE B 33 17.450 -7.678 1.482 1.00 0.56 H new ATOM 0 HB ILE B 33 15.737 -6.127 2.429 1.00 0.56 H new ATOM 0 HG12 ILE B 33 18.144 -4.397 3.091 1.00 0.59 H new ATOM 0 HG13 ILE B 33 16.908 -4.014 1.910 1.00 0.59 H new ATOM 0 HG21 ILE B 33 16.452 -6.350 4.777 1.00 0.67 H new ATOM 0 HG22 ILE B 33 16.798 -7.824 3.843 1.00 0.67 H new ATOM 0 HG23 ILE B 33 18.112 -6.691 4.236 1.00 0.67 H new ATOM 0 HD11 ILE B 33 16.529 -2.801 3.998 1.00 0.67 H new ATOM 0 HD12 ILE B 33 15.203 -3.949 3.694 1.00 0.67 H new ATOM 0 HD13 ILE B 33 16.459 -4.337 4.894 1.00 0.67 H new ATOM 1938 N LYS B 34 16.003 -6.166 -0.188 1.00 0.53 N ATOM 1939 CA LYS B 34 15.508 -5.620 -1.437 1.00 0.53 C ATOM 1940 C LYS B 34 14.454 -4.548 -1.194 1.00 0.48 C ATOM 1941 O LYS B 34 13.439 -4.793 -0.540 1.00 0.57 O ATOM 1942 CB LYS B 34 14.922 -6.736 -2.299 1.00 0.58 C ATOM 1943 CG LYS B 34 15.967 -7.698 -2.836 1.00 0.76 C ATOM 1944 CD LYS B 34 15.339 -8.777 -3.702 1.00 0.87 C ATOM 1945 CE LYS B 34 16.365 -9.420 -4.621 1.00 1.07 C ATOM 1946 NZ LYS B 34 17.478 -10.052 -3.862 1.00 1.31 N ATOM 0 H LYS B 34 15.318 -6.712 0.335 1.00 0.53 H new ATOM 0 HA LYS B 34 16.347 -5.159 -1.958 1.00 0.53 H new ATOM 0 HB2 LYS B 34 14.194 -7.294 -1.711 1.00 0.58 H new ATOM 0 HB3 LYS B 34 14.383 -6.293 -3.136 1.00 0.58 H new ATOM 0 HG2 LYS B 34 16.705 -7.147 -3.418 1.00 0.76 H new ATOM 0 HG3 LYS B 34 16.498 -8.161 -2.004 1.00 0.76 H new ATOM 0 HD2 LYS B 34 14.890 -9.540 -3.066 1.00 0.87 H new ATOM 0 HD3 LYS B 34 14.535 -8.345 -4.298 1.00 0.87 H new ATOM 0 HE2 LYS B 34 15.876 -10.172 -5.240 1.00 1.07 H new ATOM 0 HE3 LYS B 34 16.769 -8.666 -5.296 1.00 1.07 H new ATOM 0 HZ1 LYS B 34 18.081 -10.593 -4.515 1.00 1.31 H new ATOM 0 HZ2 LYS B 34 18.045 -9.314 -3.398 1.00 1.31 H new ATOM 0 HZ3 LYS B 34 17.087 -10.692 -3.141 1.00 1.31 H new ATOM 1960 N VAL B 35 14.698 -3.362 -1.724 1.00 0.44 N ATOM 1961 CA VAL B 35 13.763 -2.262 -1.573 1.00 0.41 C ATOM 1962 C VAL B 35 13.240 -1.820 -2.941 1.00 0.42 C ATOM 1963 O VAL B 35 13.992 -1.327 -3.783 1.00 0.45 O ATOM 1964 CB VAL B 35 14.403 -1.066 -0.820 1.00 0.40 C ATOM 1965 CG1 VAL B 35 15.757 -0.699 -1.412 1.00 0.42 C ATOM 1966 CG2 VAL B 35 13.469 0.140 -0.815 1.00 0.40 C ATOM 0 H VAL B 35 15.535 -3.137 -2.262 1.00 0.44 H new ATOM 0 HA VAL B 35 12.925 -2.616 -0.972 1.00 0.41 H new ATOM 0 HB VAL B 35 14.564 -1.375 0.213 1.00 0.40 H new ATOM 0 HG11 VAL B 35 16.179 0.142 -0.862 1.00 0.42 H new ATOM 0 HG12 VAL B 35 16.430 -1.554 -1.339 1.00 0.42 H new ATOM 0 HG13 VAL B 35 15.633 -0.423 -2.459 1.00 0.42 H new ATOM 0 HG21 VAL B 35 13.942 0.964 -0.281 1.00 0.40 H new ATOM 0 HG22 VAL B 35 13.262 0.444 -1.841 1.00 0.40 H new ATOM 0 HG23 VAL B 35 12.535 -0.125 -0.319 1.00 0.40 H new ATOM 1976 N THR B 36 11.955 -2.040 -3.172 1.00 0.41 N ATOM 1977 CA THR B 36 11.337 -1.667 -4.433 1.00 0.43 C ATOM 1978 C THR B 36 10.695 -0.291 -4.318 1.00 0.39 C ATOM 1979 O THR B 36 9.802 -0.077 -3.496 1.00 0.40 O ATOM 1980 CB THR B 36 10.285 -2.706 -4.850 1.00 0.48 C ATOM 1981 OG1 THR B 36 10.435 -3.888 -4.049 1.00 0.56 O ATOM 1982 CG2 THR B 36 10.436 -3.066 -6.317 1.00 0.57 C ATOM 0 H THR B 36 11.321 -2.475 -2.502 1.00 0.41 H new ATOM 0 HA THR B 36 12.113 -1.634 -5.198 1.00 0.43 H new ATOM 0 HB THR B 36 9.294 -2.278 -4.697 1.00 0.48 H new ATOM 0 HG1 THR B 36 9.763 -4.550 -4.314 1.00 0.56 H new ATOM 0 HG21 THR B 36 9.681 -3.803 -6.590 1.00 0.57 H new ATOM 0 HG22 THR B 36 10.307 -2.171 -6.926 1.00 0.57 H new ATOM 0 HG23 THR B 36 11.429 -3.482 -6.489 1.00 0.57 H new ATOM 1990 N VAL B 37 11.154 0.636 -5.143 1.00 0.41 N ATOM 1991 CA VAL B 37 10.651 2.001 -5.111 1.00 0.40 C ATOM 1992 C VAL B 37 9.628 2.254 -6.216 1.00 0.43 C ATOM 1993 O VAL B 37 9.918 2.084 -7.401 1.00 0.51 O ATOM 1994 CB VAL B 37 11.805 3.020 -5.247 1.00 0.46 C ATOM 1995 CG1 VAL B 37 11.298 4.447 -5.086 1.00 0.52 C ATOM 1996 CG2 VAL B 37 12.903 2.723 -4.235 1.00 0.46 C ATOM 0 H VAL B 37 11.875 0.468 -5.844 1.00 0.41 H new ATOM 0 HA VAL B 37 10.162 2.132 -4.146 1.00 0.40 H new ATOM 0 HB VAL B 37 12.223 2.924 -6.249 1.00 0.46 H new ATOM 0 HG11 VAL B 37 12.131 5.143 -5.186 1.00 0.52 H new ATOM 0 HG12 VAL B 37 10.555 4.658 -5.855 1.00 0.52 H new ATOM 0 HG13 VAL B 37 10.845 4.563 -4.101 1.00 0.52 H new ATOM 0 HG21 VAL B 37 13.707 3.451 -4.346 1.00 0.46 H new ATOM 0 HG22 VAL B 37 12.494 2.785 -3.226 1.00 0.46 H new ATOM 0 HG23 VAL B 37 13.295 1.721 -4.407 1.00 0.46 H new ATOM 2006 N LYS B 38 8.430 2.659 -5.813 1.00 0.41 N ATOM 2007 CA LYS B 38 7.360 2.972 -6.750 1.00 0.46 C ATOM 2008 C LYS B 38 7.461 4.438 -7.143 1.00 0.50 C ATOM 2009 O LYS B 38 7.297 5.331 -6.308 1.00 0.63 O ATOM 2010 CB LYS B 38 5.994 2.690 -6.123 1.00 0.51 C ATOM 2011 CG LYS B 38 5.815 1.250 -5.673 1.00 0.65 C ATOM 2012 CD LYS B 38 4.566 1.080 -4.822 1.00 0.80 C ATOM 2013 CE LYS B 38 3.306 1.413 -5.607 1.00 1.18 C ATOM 2014 NZ LYS B 38 2.075 1.100 -4.837 1.00 1.38 N ATOM 0 H LYS B 38 8.174 2.779 -4.833 1.00 0.41 H new ATOM 0 HA LYS B 38 7.463 2.344 -7.635 1.00 0.46 H new ATOM 0 HB2 LYS B 38 5.854 3.349 -5.266 1.00 0.51 H new ATOM 0 HB3 LYS B 38 5.215 2.935 -6.845 1.00 0.51 H new ATOM 0 HG2 LYS B 38 5.752 0.601 -6.546 1.00 0.65 H new ATOM 0 HG3 LYS B 38 6.689 0.935 -5.104 1.00 0.65 H new ATOM 0 HD2 LYS B 38 4.509 0.054 -4.459 1.00 0.80 H new ATOM 0 HD3 LYS B 38 4.631 1.725 -3.946 1.00 0.80 H new ATOM 0 HE2 LYS B 38 3.311 2.471 -5.870 1.00 1.18 H new ATOM 0 HE3 LYS B 38 3.302 0.852 -6.542 1.00 1.18 H new ATOM 0 HZ1 LYS B 38 1.254 1.537 -5.303 1.00 1.38 H new ATOM 0 HZ2 LYS B 38 1.943 0.069 -4.797 1.00 1.38 H new ATOM 0 HZ3 LYS B 38 2.165 1.475 -3.871 1.00 1.38 H new ATOM 2028 N THR B 39 7.724 4.678 -8.412 1.00 0.55 N ATOM 2029 CA THR B 39 7.894 6.026 -8.918 1.00 0.60 C ATOM 2030 C THR B 39 6.858 6.324 -9.993 1.00 0.65 C ATOM 2031 O THR B 39 6.248 5.396 -10.534 1.00 0.67 O ATOM 2032 CB THR B 39 9.309 6.204 -9.523 1.00 0.64 C ATOM 2033 OG1 THR B 39 9.516 5.260 -10.587 1.00 0.78 O ATOM 2034 CG2 THR B 39 10.387 6.015 -8.465 1.00 0.68 C ATOM 0 H THR B 39 7.826 3.949 -9.118 1.00 0.55 H new ATOM 0 HA THR B 39 7.765 6.716 -8.084 1.00 0.60 H new ATOM 0 HB THR B 39 9.378 7.219 -9.914 1.00 0.64 H new ATOM 0 HG1 THR B 39 9.252 4.365 -10.286 1.00 0.78 H new ATOM 0 HG21 THR B 39 11.369 6.146 -8.919 1.00 0.68 H new ATOM 0 HG22 THR B 39 10.252 6.751 -7.673 1.00 0.68 H new ATOM 0 HG23 THR B 39 10.312 5.012 -8.045 1.00 0.68 H new ATOM 2042 N PRO B 40 6.622 7.615 -10.300 1.00 0.71 N ATOM 2043 CA PRO B 40 5.683 8.020 -11.357 1.00 0.78 C ATOM 2044 C PRO B 40 6.259 7.707 -12.737 1.00 0.81 C ATOM 2045 O PRO B 40 6.324 8.572 -13.616 1.00 0.87 O ATOM 2046 CB PRO B 40 5.558 9.532 -11.158 1.00 0.83 C ATOM 2047 CG PRO B 40 6.828 9.937 -10.496 1.00 0.85 C ATOM 2048 CD PRO B 40 7.227 8.782 -9.626 1.00 0.73 C ATOM 0 HA PRO B 40 4.727 7.500 -11.301 1.00 0.78 H new ATOM 0 HB2 PRO B 40 5.427 10.046 -12.110 1.00 0.83 H new ATOM 0 HB3 PRO B 40 4.694 9.779 -10.541 1.00 0.83 H new ATOM 0 HG2 PRO B 40 7.600 10.155 -11.234 1.00 0.85 H new ATOM 0 HG3 PRO B 40 6.688 10.841 -9.904 1.00 0.85 H new ATOM 0 HD2 PRO B 40 8.311 8.688 -9.557 1.00 0.73 H new ATOM 0 HD3 PRO B 40 6.851 8.897 -8.609 1.00 0.73 H new ATOM 2056 N LYS B 41 6.664 6.456 -12.914 1.00 0.82 N ATOM 2057 CA LYS B 41 7.275 5.998 -14.154 1.00 0.87 C ATOM 2058 C LYS B 41 7.439 4.482 -14.143 1.00 0.84 C ATOM 2059 O LYS B 41 6.866 3.778 -14.976 1.00 0.92 O ATOM 2060 CB LYS B 41 8.644 6.669 -14.340 1.00 0.93 C ATOM 2061 CG LYS B 41 9.456 6.123 -15.510 1.00 1.13 C ATOM 2062 CD LYS B 41 10.739 6.911 -15.723 1.00 1.21 C ATOM 2063 CE LYS B 41 11.664 6.830 -14.518 1.00 1.44 C ATOM 2064 NZ LYS B 41 12.770 7.817 -14.603 1.00 1.37 N ATOM 0 H LYS B 41 6.578 5.731 -12.202 1.00 0.82 H new ATOM 0 HA LYS B 41 6.623 6.271 -14.984 1.00 0.87 H new ATOM 0 HB2 LYS B 41 8.495 7.739 -14.484 1.00 0.93 H new ATOM 0 HB3 LYS B 41 9.222 6.549 -13.424 1.00 0.93 H new ATOM 0 HG2 LYS B 41 9.698 5.076 -15.327 1.00 1.13 H new ATOM 0 HG3 LYS B 41 8.854 6.157 -16.418 1.00 1.13 H new ATOM 0 HD2 LYS B 41 11.256 6.530 -16.604 1.00 1.21 H new ATOM 0 HD3 LYS B 41 10.495 7.954 -15.923 1.00 1.21 H new ATOM 0 HE2 LYS B 41 11.091 7.004 -13.608 1.00 1.44 H new ATOM 0 HE3 LYS B 41 12.079 5.825 -14.446 1.00 1.44 H new ATOM 0 HZ1 LYS B 41 13.134 8.013 -13.649 1.00 1.37 H new ATOM 0 HZ2 LYS B 41 13.535 7.431 -15.193 1.00 1.37 H new ATOM 0 HZ3 LYS B 41 12.417 8.699 -15.027 1.00 1.37 H new ATOM 2078 N GLU B 42 8.213 3.984 -13.185 1.00 0.77 N ATOM 2079 CA GLU B 42 8.474 2.553 -13.070 1.00 0.75 C ATOM 2080 C GLU B 42 8.615 2.124 -11.612 1.00 0.70 C ATOM 2081 O GLU B 42 8.371 2.906 -10.688 1.00 0.73 O ATOM 2082 CB GLU B 42 9.754 2.195 -13.828 1.00 0.83 C ATOM 2083 CG GLU B 42 9.548 1.933 -15.313 1.00 1.03 C ATOM 2084 CD GLU B 42 10.849 1.665 -16.034 1.00 1.08 C ATOM 2085 OE1 GLU B 42 11.642 0.831 -15.545 1.00 1.28 O ATOM 2086 OE2 GLU B 42 11.100 2.306 -17.080 1.00 1.41 O ATOM 0 H GLU B 42 8.673 4.553 -12.474 1.00 0.77 H new ATOM 0 HA GLU B 42 7.624 2.025 -13.502 1.00 0.75 H new ATOM 0 HB2 GLU B 42 10.472 3.007 -13.710 1.00 0.83 H new ATOM 0 HB3 GLU B 42 10.197 1.309 -13.372 1.00 0.83 H new ATOM 0 HG2 GLU B 42 8.882 1.079 -15.440 1.00 1.03 H new ATOM 0 HG3 GLU B 42 9.054 2.793 -15.766 1.00 1.03 H new ATOM 2093 N LYS B 43 9.011 0.875 -11.426 1.00 0.68 N ATOM 2094 CA LYS B 43 9.211 0.308 -10.103 1.00 0.64 C ATOM 2095 C LYS B 43 10.613 -0.292 -10.015 1.00 0.63 C ATOM 2096 O LYS B 43 10.804 -1.495 -10.210 1.00 0.74 O ATOM 2097 CB LYS B 43 8.144 -0.756 -9.824 1.00 0.67 C ATOM 2098 CG LYS B 43 8.111 -1.239 -8.381 1.00 0.67 C ATOM 2099 CD LYS B 43 7.157 -2.413 -8.205 1.00 0.74 C ATOM 2100 CE LYS B 43 7.608 -3.635 -8.994 1.00 0.83 C ATOM 2101 NZ LYS B 43 6.852 -4.858 -8.614 1.00 0.98 N ATOM 0 H LYS B 43 9.203 0.226 -12.189 1.00 0.68 H new ATOM 0 HA LYS B 43 9.117 1.090 -9.350 1.00 0.64 H new ATOM 0 HB2 LYS B 43 7.166 -0.351 -10.083 1.00 0.67 H new ATOM 0 HB3 LYS B 43 8.318 -1.610 -10.478 1.00 0.67 H new ATOM 0 HG2 LYS B 43 9.114 -1.535 -8.073 1.00 0.67 H new ATOM 0 HG3 LYS B 43 7.806 -0.420 -7.729 1.00 0.67 H new ATOM 0 HD2 LYS B 43 7.088 -2.669 -7.148 1.00 0.74 H new ATOM 0 HD3 LYS B 43 6.158 -2.121 -8.528 1.00 0.74 H new ATOM 0 HE2 LYS B 43 7.478 -3.446 -10.060 1.00 0.83 H new ATOM 0 HE3 LYS B 43 8.672 -3.801 -8.827 1.00 0.83 H new ATOM 0 HZ1 LYS B 43 7.192 -5.665 -9.176 1.00 0.98 H new ATOM 0 HZ2 LYS B 43 6.996 -5.055 -7.603 1.00 0.98 H new ATOM 0 HZ3 LYS B 43 5.839 -4.711 -8.797 1.00 0.98 H new ATOM 2115 N GLU B 44 11.591 0.560 -9.742 1.00 0.59 N ATOM 2116 CA GLU B 44 12.984 0.131 -9.651 1.00 0.60 C ATOM 2117 C GLU B 44 13.285 -0.458 -8.275 1.00 0.56 C ATOM 2118 O GLU B 44 12.788 0.031 -7.258 1.00 0.60 O ATOM 2119 CB GLU B 44 13.922 1.312 -9.930 1.00 0.64 C ATOM 2120 CG GLU B 44 15.314 0.900 -10.385 1.00 0.81 C ATOM 2121 CD GLU B 44 15.305 0.210 -11.733 1.00 1.02 C ATOM 2122 OE1 GLU B 44 15.363 0.913 -12.768 1.00 1.21 O ATOM 2123 OE2 GLU B 44 15.235 -1.036 -11.768 1.00 1.24 O ATOM 0 H GLU B 44 11.447 1.557 -9.579 1.00 0.59 H new ATOM 0 HA GLU B 44 13.150 -0.643 -10.401 1.00 0.60 H new ATOM 0 HB2 GLU B 44 13.474 1.947 -10.694 1.00 0.64 H new ATOM 0 HB3 GLU B 44 14.010 1.915 -9.026 1.00 0.64 H new ATOM 0 HG2 GLU B 44 15.951 1.783 -10.437 1.00 0.81 H new ATOM 0 HG3 GLU B 44 15.753 0.233 -9.643 1.00 0.81 H new ATOM 2130 N GLU B 45 14.099 -1.504 -8.245 1.00 0.56 N ATOM 2131 CA GLU B 45 14.463 -2.151 -6.996 1.00 0.53 C ATOM 2132 C GLU B 45 15.945 -1.955 -6.711 1.00 0.55 C ATOM 2133 O GLU B 45 16.791 -2.168 -7.581 1.00 0.64 O ATOM 2134 CB GLU B 45 14.139 -3.641 -7.058 1.00 0.57 C ATOM 2135 CG GLU B 45 14.121 -4.314 -5.697 1.00 0.58 C ATOM 2136 CD GLU B 45 14.165 -5.818 -5.800 1.00 0.76 C ATOM 2137 OE1 GLU B 45 15.280 -6.374 -5.910 1.00 0.99 O ATOM 2138 OE2 GLU B 45 13.088 -6.453 -5.770 1.00 0.94 O ATOM 0 H GLU B 45 14.520 -1.922 -9.075 1.00 0.56 H new ATOM 0 HA GLU B 45 13.886 -1.697 -6.191 1.00 0.53 H new ATOM 0 HB2 GLU B 45 13.167 -3.774 -7.533 1.00 0.57 H new ATOM 0 HB3 GLU B 45 14.874 -4.139 -7.691 1.00 0.57 H new ATOM 0 HG2 GLU B 45 14.973 -3.967 -5.112 1.00 0.58 H new ATOM 0 HG3 GLU B 45 13.222 -4.015 -5.159 1.00 0.58 H new ATOM 2145 N PHE B 46 16.254 -1.548 -5.493 1.00 0.51 N ATOM 2146 CA PHE B 46 17.632 -1.322 -5.094 1.00 0.54 C ATOM 2147 C PHE B 46 18.059 -2.341 -4.047 1.00 0.54 C ATOM 2148 O PHE B 46 17.228 -3.058 -3.484 1.00 0.54 O ATOM 2149 CB PHE B 46 17.807 0.098 -4.543 1.00 0.53 C ATOM 2150 CG PHE B 46 17.578 1.174 -5.562 1.00 0.58 C ATOM 2151 CD1 PHE B 46 18.591 1.550 -6.430 1.00 0.78 C ATOM 2152 CD2 PHE B 46 16.352 1.812 -5.655 1.00 0.72 C ATOM 2153 CE1 PHE B 46 18.385 2.542 -7.371 1.00 0.90 C ATOM 2154 CE2 PHE B 46 16.140 2.804 -6.592 1.00 0.85 C ATOM 2155 CZ PHE B 46 17.158 3.170 -7.452 1.00 0.87 C ATOM 0 H PHE B 46 15.567 -1.367 -4.761 1.00 0.51 H new ATOM 0 HA PHE B 46 18.264 -1.437 -5.975 1.00 0.54 H new ATOM 0 HB2 PHE B 46 17.116 0.243 -3.713 1.00 0.53 H new ATOM 0 HB3 PHE B 46 18.815 0.200 -4.140 1.00 0.53 H new ATOM 0 HD1 PHE B 46 19.553 1.062 -6.371 1.00 0.78 H new ATOM 0 HD2 PHE B 46 15.552 1.530 -4.986 1.00 0.72 H new ATOM 0 HE1 PHE B 46 19.183 2.825 -8.042 1.00 0.90 H new ATOM 0 HE2 PHE B 46 15.179 3.294 -6.653 1.00 0.85 H new ATOM 0 HZ PHE B 46 16.994 3.945 -8.186 1.00 0.87 H new ATOM 2165 N ALA B 47 19.356 -2.408 -3.805 1.00 0.57 N ATOM 2166 CA ALA B 47 19.908 -3.324 -2.822 1.00 0.60 C ATOM 2167 C ALA B 47 20.609 -2.544 -1.720 1.00 0.60 C ATOM 2168 O ALA B 47 21.529 -1.768 -1.989 1.00 0.66 O ATOM 2169 CB ALA B 47 20.872 -4.289 -3.486 1.00 0.69 C ATOM 0 H ALA B 47 20.052 -1.834 -4.280 1.00 0.57 H new ATOM 0 HA ALA B 47 19.095 -3.900 -2.379 1.00 0.60 H new ATOM 0 HB1 ALA B 47 21.278 -4.970 -2.738 1.00 0.69 H new ATOM 0 HB2 ALA B 47 20.346 -4.861 -4.250 1.00 0.69 H new ATOM 0 HB3 ALA B 47 21.686 -3.730 -3.948 1.00 0.69 H new ATOM 2175 N VAL B 48 20.176 -2.744 -0.482 1.00 0.57 N ATOM 2176 CA VAL B 48 20.764 -2.040 0.648 1.00 0.59 C ATOM 2177 C VAL B 48 21.059 -2.992 1.801 1.00 0.58 C ATOM 2178 O VAL B 48 20.301 -3.932 2.044 1.00 0.57 O ATOM 2179 CB VAL B 48 19.842 -0.912 1.165 1.00 0.59 C ATOM 2180 CG1 VAL B 48 19.939 0.318 0.276 1.00 0.66 C ATOM 2181 CG2 VAL B 48 18.398 -1.388 1.254 1.00 0.56 C ATOM 0 H VAL B 48 19.422 -3.386 -0.236 1.00 0.57 H new ATOM 0 HA VAL B 48 21.694 -1.603 0.285 1.00 0.59 H new ATOM 0 HB VAL B 48 20.177 -0.640 2.166 1.00 0.59 H new ATOM 0 HG11 VAL B 48 19.281 1.098 0.660 1.00 0.66 H new ATOM 0 HG12 VAL B 48 20.967 0.681 0.269 1.00 0.66 H new ATOM 0 HG13 VAL B 48 19.639 0.058 -0.739 1.00 0.66 H new ATOM 0 HG21 VAL B 48 17.769 -0.576 1.620 1.00 0.56 H new ATOM 0 HG22 VAL B 48 18.055 -1.696 0.266 1.00 0.56 H new ATOM 0 HG23 VAL B 48 18.335 -2.233 1.939 1.00 0.56 H new ATOM 2191 N PRO B 49 22.177 -2.776 2.505 1.00 0.62 N ATOM 2192 CA PRO B 49 22.554 -3.600 3.649 1.00 0.63 C ATOM 2193 C PRO B 49 21.755 -3.221 4.891 1.00 0.60 C ATOM 2194 O PRO B 49 21.438 -2.046 5.103 1.00 0.61 O ATOM 2195 CB PRO B 49 24.037 -3.284 3.831 1.00 0.69 C ATOM 2196 CG PRO B 49 24.208 -1.903 3.302 1.00 0.79 C ATOM 2197 CD PRO B 49 23.172 -1.719 2.228 1.00 0.67 C ATOM 0 HA PRO B 49 22.358 -4.661 3.493 1.00 0.63 H new ATOM 0 HB2 PRO B 49 24.327 -3.343 4.880 1.00 0.69 H new ATOM 0 HB3 PRO B 49 24.661 -3.994 3.288 1.00 0.69 H new ATOM 0 HG2 PRO B 49 24.078 -1.166 4.095 1.00 0.79 H new ATOM 0 HG3 PRO B 49 25.211 -1.765 2.899 1.00 0.79 H new ATOM 0 HD2 PRO B 49 22.723 -0.727 2.273 1.00 0.67 H new ATOM 0 HD3 PRO B 49 23.604 -1.829 1.233 1.00 0.67 H new ATOM 2205 N GLU B 50 21.442 -4.211 5.714 1.00 0.61 N ATOM 2206 CA GLU B 50 20.667 -3.993 6.931 1.00 0.61 C ATOM 2207 C GLU B 50 21.494 -3.321 8.034 1.00 0.67 C ATOM 2208 O GLU B 50 21.454 -3.735 9.191 1.00 1.01 O ATOM 2209 CB GLU B 50 20.106 -5.324 7.437 1.00 0.68 C ATOM 2210 CG GLU B 50 18.588 -5.355 7.515 1.00 0.86 C ATOM 2211 CD GLU B 50 18.071 -6.591 8.222 1.00 0.93 C ATOM 2212 OE1 GLU B 50 18.011 -6.585 9.471 1.00 1.12 O ATOM 2213 OE2 GLU B 50 17.720 -7.576 7.539 1.00 1.08 O ATOM 0 H GLU B 50 21.715 -5.182 5.561 1.00 0.61 H new ATOM 0 HA GLU B 50 19.849 -3.318 6.680 1.00 0.61 H new ATOM 0 HB2 GLU B 50 20.444 -6.125 6.779 1.00 0.68 H new ATOM 0 HB3 GLU B 50 20.516 -5.529 8.426 1.00 0.68 H new ATOM 0 HG2 GLU B 50 18.236 -4.466 8.038 1.00 0.86 H new ATOM 0 HG3 GLU B 50 18.174 -5.316 6.507 1.00 0.86 H new ATOM 2220 N ASN B 51 22.233 -2.277 7.676 1.00 0.67 N ATOM 2221 CA ASN B 51 23.049 -1.551 8.644 1.00 0.69 C ATOM 2222 C ASN B 51 23.212 -0.084 8.243 1.00 0.71 C ATOM 2223 O ASN B 51 23.923 0.670 8.900 1.00 0.96 O ATOM 2224 CB ASN B 51 24.423 -2.218 8.805 1.00 0.76 C ATOM 2225 CG ASN B 51 25.373 -1.953 7.646 1.00 0.86 C ATOM 2226 OD1 ASN B 51 24.953 -1.712 6.513 1.00 0.87 O ATOM 2227 ND2 ASN B 51 26.670 -2.001 7.925 1.00 1.20 N ATOM 0 H ASN B 51 22.284 -1.914 6.724 1.00 0.67 H new ATOM 0 HA ASN B 51 22.532 -1.583 9.603 1.00 0.69 H new ATOM 0 HB2 ASN B 51 24.883 -1.864 9.728 1.00 0.76 H new ATOM 0 HB3 ASN B 51 24.284 -3.294 8.910 1.00 0.76 H new ATOM 0 HD21 ASN B 51 27.356 -1.835 7.189 1.00 1.20 H new ATOM 0 HD22 ASN B 51 26.980 -2.204 8.875 1.00 1.20 H new ATOM 2234 N SER B 52 22.543 0.319 7.171 1.00 0.65 N ATOM 2235 CA SER B 52 22.622 1.696 6.701 1.00 0.67 C ATOM 2236 C SER B 52 21.288 2.413 6.906 1.00 0.63 C ATOM 2237 O SER B 52 20.227 1.793 6.819 1.00 0.68 O ATOM 2238 CB SER B 52 23.018 1.724 5.221 1.00 0.71 C ATOM 2239 OG SER B 52 24.176 0.934 4.986 1.00 0.86 O ATOM 0 H SER B 52 21.941 -0.286 6.612 1.00 0.65 H new ATOM 0 HA SER B 52 23.384 2.217 7.281 1.00 0.67 H new ATOM 0 HB2 SER B 52 22.192 1.354 4.613 1.00 0.71 H new ATOM 0 HB3 SER B 52 23.206 2.752 4.911 1.00 0.71 H new ATOM 0 HG SER B 52 24.407 0.967 4.034 1.00 0.86 H new ATOM 2245 N SER B 53 21.344 3.714 7.174 1.00 0.65 N ATOM 2246 CA SER B 53 20.138 4.499 7.398 1.00 0.64 C ATOM 2247 C SER B 53 19.585 5.054 6.082 1.00 0.57 C ATOM 2248 O SER B 53 20.147 4.820 5.007 1.00 0.58 O ATOM 2249 CB SER B 53 20.422 5.642 8.373 1.00 0.75 C ATOM 2250 OG SER B 53 21.332 5.241 9.385 1.00 0.89 O ATOM 0 H SER B 53 22.212 4.245 7.241 1.00 0.65 H new ATOM 0 HA SER B 53 19.385 3.840 7.831 1.00 0.64 H new ATOM 0 HB2 SER B 53 20.831 6.494 7.829 1.00 0.75 H new ATOM 0 HB3 SER B 53 19.490 5.974 8.830 1.00 0.75 H new ATOM 0 HG SER B 53 21.497 5.992 9.993 1.00 0.89 H new ATOM 2256 N VAL B 54 18.489 5.804 6.182 1.00 0.54 N ATOM 2257 CA VAL B 54 17.837 6.390 5.010 1.00 0.49 C ATOM 2258 C VAL B 54 18.726 7.432 4.327 1.00 0.48 C ATOM 2259 O VAL B 54 18.657 7.610 3.112 1.00 0.47 O ATOM 2260 CB VAL B 54 16.486 7.034 5.393 1.00 0.52 C ATOM 2261 CG1 VAL B 54 15.809 7.668 4.181 1.00 0.57 C ATOM 2262 CG2 VAL B 54 15.573 6.000 6.030 1.00 0.58 C ATOM 0 H VAL B 54 18.031 6.022 7.067 1.00 0.54 H new ATOM 0 HA VAL B 54 17.660 5.576 4.307 1.00 0.49 H new ATOM 0 HB VAL B 54 16.683 7.826 6.116 1.00 0.52 H new ATOM 0 HG11 VAL B 54 14.861 8.112 4.485 1.00 0.57 H new ATOM 0 HG12 VAL B 54 16.456 8.441 3.766 1.00 0.57 H new ATOM 0 HG13 VAL B 54 15.626 6.904 3.425 1.00 0.57 H new ATOM 0 HG21 VAL B 54 14.624 6.467 6.295 1.00 0.58 H new ATOM 0 HG22 VAL B 54 15.394 5.189 5.324 1.00 0.58 H new ATOM 0 HG23 VAL B 54 16.045 5.602 6.928 1.00 0.58 H new ATOM 2272 N GLN B 55 19.570 8.101 5.108 1.00 0.53 N ATOM 2273 CA GLN B 55 20.466 9.124 4.570 1.00 0.58 C ATOM 2274 C GLN B 55 21.346 8.549 3.459 1.00 0.58 C ATOM 2275 O GLN B 55 21.512 9.164 2.405 1.00 0.64 O ATOM 2276 CB GLN B 55 21.329 9.712 5.689 1.00 0.67 C ATOM 2277 CG GLN B 55 21.146 11.211 5.866 1.00 0.88 C ATOM 2278 CD GLN B 55 21.666 11.715 7.200 1.00 0.92 C ATOM 2279 OE1 GLN B 55 22.617 11.168 7.765 1.00 1.13 O ATOM 2280 NE2 GLN B 55 21.046 12.767 7.712 1.00 1.23 N ATOM 0 H GLN B 55 19.653 7.954 6.114 1.00 0.53 H new ATOM 0 HA GLN B 55 19.859 9.921 4.140 1.00 0.58 H new ATOM 0 HB2 GLN B 55 21.087 9.210 6.626 1.00 0.67 H new ATOM 0 HB3 GLN B 55 22.378 9.504 5.477 1.00 0.67 H new ATOM 0 HG2 GLN B 55 21.662 11.733 5.060 1.00 0.88 H new ATOM 0 HG3 GLN B 55 20.087 11.456 5.778 1.00 0.88 H new ATOM 0 HE21 GLN B 55 20.263 13.190 7.213 1.00 1.23 H new ATOM 0 HE22 GLN B 55 21.351 13.154 8.605 1.00 1.23 H new ATOM 2289 N GLN B 56 21.884 7.357 3.696 1.00 0.56 N ATOM 2290 CA GLN B 56 22.732 6.684 2.719 1.00 0.60 C ATOM 2291 C GLN B 56 21.924 6.331 1.470 1.00 0.55 C ATOM 2292 O GLN B 56 22.399 6.473 0.341 1.00 0.62 O ATOM 2293 CB GLN B 56 23.325 5.408 3.328 1.00 0.65 C ATOM 2294 CG GLN B 56 24.500 4.840 2.546 1.00 0.80 C ATOM 2295 CD GLN B 56 25.838 5.343 3.057 1.00 1.02 C ATOM 2296 OE1 GLN B 56 26.458 4.729 3.928 1.00 1.35 O ATOM 2297 NE2 GLN B 56 26.290 6.464 2.516 1.00 1.27 N ATOM 0 H GLN B 56 21.747 6.835 4.561 1.00 0.56 H new ATOM 0 HA GLN B 56 23.542 7.358 2.439 1.00 0.60 H new ATOM 0 HB2 GLN B 56 23.648 5.620 4.347 1.00 0.65 H new ATOM 0 HB3 GLN B 56 22.544 4.651 3.392 1.00 0.65 H new ATOM 0 HG2 GLN B 56 24.479 3.752 2.604 1.00 0.80 H new ATOM 0 HG3 GLN B 56 24.394 5.105 1.494 1.00 0.80 H new ATOM 0 HE21 GLN B 56 25.744 6.940 1.798 1.00 1.27 H new ATOM 0 HE22 GLN B 56 27.184 6.852 2.818 1.00 1.27 H new ATOM 2306 N PHE B 57 20.689 5.889 1.694 1.00 0.50 N ATOM 2307 CA PHE B 57 19.786 5.498 0.617 1.00 0.49 C ATOM 2308 C PHE B 57 19.419 6.699 -0.259 1.00 0.47 C ATOM 2309 O PHE B 57 19.461 6.620 -1.489 1.00 0.49 O ATOM 2310 CB PHE B 57 18.523 4.868 1.222 1.00 0.48 C ATOM 2311 CG PHE B 57 17.586 4.248 0.222 1.00 0.50 C ATOM 2312 CD1 PHE B 57 18.062 3.432 -0.792 1.00 0.56 C ATOM 2313 CD2 PHE B 57 16.222 4.475 0.312 1.00 0.53 C ATOM 2314 CE1 PHE B 57 17.196 2.857 -1.700 1.00 0.64 C ATOM 2315 CE2 PHE B 57 15.350 3.903 -0.595 1.00 0.59 C ATOM 2316 CZ PHE B 57 15.838 3.093 -1.602 1.00 0.64 C ATOM 0 H PHE B 57 20.287 5.792 2.627 1.00 0.50 H new ATOM 0 HA PHE B 57 20.289 4.769 -0.019 1.00 0.49 H new ATOM 0 HB2 PHE B 57 18.823 4.104 1.940 1.00 0.48 H new ATOM 0 HB3 PHE B 57 17.983 5.634 1.779 1.00 0.48 H new ATOM 0 HD1 PHE B 57 19.122 3.244 -0.873 1.00 0.56 H new ATOM 0 HD2 PHE B 57 15.836 5.106 1.099 1.00 0.53 H new ATOM 0 HE1 PHE B 57 17.579 2.223 -2.486 1.00 0.64 H new ATOM 0 HE2 PHE B 57 14.289 4.089 -0.517 1.00 0.59 H new ATOM 0 HZ PHE B 57 15.159 2.645 -2.312 1.00 0.64 H new ATOM 2326 N LYS B 58 19.085 7.810 0.388 1.00 0.47 N ATOM 2327 CA LYS B 58 18.702 9.041 -0.304 1.00 0.48 C ATOM 2328 C LYS B 58 19.794 9.514 -1.261 1.00 0.49 C ATOM 2329 O LYS B 58 19.523 9.841 -2.420 1.00 0.53 O ATOM 2330 CB LYS B 58 18.400 10.140 0.714 1.00 0.53 C ATOM 2331 CG LYS B 58 17.086 9.950 1.450 1.00 0.62 C ATOM 2332 CD LYS B 58 16.875 11.033 2.494 1.00 0.70 C ATOM 2333 CE LYS B 58 16.596 12.383 1.850 1.00 0.77 C ATOM 2334 NZ LYS B 58 16.559 13.478 2.853 1.00 1.01 N ATOM 0 H LYS B 58 19.071 7.886 1.405 1.00 0.47 H new ATOM 0 HA LYS B 58 17.809 8.826 -0.891 1.00 0.48 H new ATOM 0 HB2 LYS B 58 19.211 10.181 1.442 1.00 0.53 H new ATOM 0 HB3 LYS B 58 18.383 11.102 0.202 1.00 0.53 H new ATOM 0 HG2 LYS B 58 16.262 9.965 0.737 1.00 0.62 H new ATOM 0 HG3 LYS B 58 17.074 8.972 1.931 1.00 0.62 H new ATOM 0 HD2 LYS B 58 16.042 10.758 3.141 1.00 0.70 H new ATOM 0 HD3 LYS B 58 17.759 11.107 3.127 1.00 0.70 H new ATOM 0 HE2 LYS B 58 17.365 12.597 1.107 1.00 0.77 H new ATOM 0 HE3 LYS B 58 15.644 12.343 1.321 1.00 0.77 H new ATOM 0 HZ1 LYS B 58 16.366 14.381 2.374 1.00 1.01 H new ATOM 0 HZ2 LYS B 58 15.809 13.287 3.547 1.00 1.01 H new ATOM 0 HZ3 LYS B 58 17.476 13.533 3.341 1.00 1.01 H new ATOM 2348 N GLU B 59 21.031 9.535 -0.775 1.00 0.51 N ATOM 2349 CA GLU B 59 22.163 9.975 -1.583 1.00 0.56 C ATOM 2350 C GLU B 59 22.349 9.073 -2.799 1.00 0.57 C ATOM 2351 O GLU B 59 22.726 9.535 -3.878 1.00 0.65 O ATOM 2352 CB GLU B 59 23.438 9.989 -0.742 1.00 0.63 C ATOM 2353 CG GLU B 59 24.416 11.078 -1.144 1.00 1.06 C ATOM 2354 CD GLU B 59 24.331 12.286 -0.238 1.00 0.97 C ATOM 2355 OE1 GLU B 59 24.908 12.243 0.868 1.00 1.30 O ATOM 2356 OE2 GLU B 59 23.684 13.285 -0.619 1.00 1.14 O ATOM 0 H GLU B 59 21.275 9.253 0.174 1.00 0.51 H new ATOM 0 HA GLU B 59 21.956 10.986 -1.935 1.00 0.56 H new ATOM 0 HB2 GLU B 59 23.171 10.120 0.307 1.00 0.63 H new ATOM 0 HB3 GLU B 59 23.930 9.020 -0.826 1.00 0.63 H new ATOM 0 HG2 GLU B 59 25.430 10.679 -1.121 1.00 1.06 H new ATOM 0 HG3 GLU B 59 24.216 11.382 -2.172 1.00 1.06 H new ATOM 2363 N ALA B 60 22.066 7.789 -2.622 1.00 0.55 N ATOM 2364 CA ALA B 60 22.206 6.822 -3.701 1.00 0.57 C ATOM 2365 C ALA B 60 21.146 7.041 -4.776 1.00 0.56 C ATOM 2366 O ALA B 60 21.450 7.031 -5.972 1.00 0.59 O ATOM 2367 CB ALA B 60 22.134 5.406 -3.150 1.00 0.59 C ATOM 0 H ALA B 60 21.738 7.394 -1.741 1.00 0.55 H new ATOM 0 HA ALA B 60 23.182 6.965 -4.165 1.00 0.57 H new ATOM 0 HB1 ALA B 60 22.240 4.692 -3.967 1.00 0.59 H new ATOM 0 HB2 ALA B 60 22.938 5.255 -2.429 1.00 0.59 H new ATOM 0 HB3 ALA B 60 21.173 5.255 -2.659 1.00 0.59 H new ATOM 2373 N ILE B 61 19.906 7.258 -4.353 1.00 0.52 N ATOM 2374 CA ILE B 61 18.808 7.479 -5.289 1.00 0.52 C ATOM 2375 C ILE B 61 19.054 8.737 -6.112 1.00 0.55 C ATOM 2376 O ILE B 61 18.808 8.763 -7.319 1.00 0.59 O ATOM 2377 CB ILE B 61 17.446 7.617 -4.573 1.00 0.50 C ATOM 2378 CG1 ILE B 61 17.219 6.459 -3.601 1.00 0.51 C ATOM 2379 CG2 ILE B 61 16.316 7.677 -5.592 1.00 0.52 C ATOM 2380 CD1 ILE B 61 16.022 6.656 -2.697 1.00 0.56 C ATOM 0 H ILE B 61 19.635 7.286 -3.370 1.00 0.52 H new ATOM 0 HA ILE B 61 18.771 6.603 -5.936 1.00 0.52 H new ATOM 0 HB ILE B 61 17.456 8.545 -4.002 1.00 0.50 H new ATOM 0 HG12 ILE B 61 17.087 5.538 -4.169 1.00 0.51 H new ATOM 0 HG13 ILE B 61 18.111 6.330 -2.987 1.00 0.51 H new ATOM 0 HG21 ILE B 61 15.363 7.774 -5.073 1.00 0.52 H new ATOM 0 HG22 ILE B 61 16.462 8.536 -6.247 1.00 0.52 H new ATOM 0 HG23 ILE B 61 16.314 6.764 -6.187 1.00 0.52 H new ATOM 0 HD11 ILE B 61 15.921 5.797 -2.034 1.00 0.56 H new ATOM 0 HD12 ILE B 61 16.160 7.559 -2.102 1.00 0.56 H new ATOM 0 HD13 ILE B 61 15.121 6.755 -3.303 1.00 0.56 H new ATOM 2392 N SER B 62 19.570 9.766 -5.454 1.00 0.55 N ATOM 2393 CA SER B 62 19.850 11.037 -6.104 1.00 0.59 C ATOM 2394 C SER B 62 20.965 10.911 -7.146 1.00 0.63 C ATOM 2395 O SER B 62 21.078 11.743 -8.050 1.00 0.70 O ATOM 2396 CB SER B 62 20.237 12.079 -5.055 1.00 0.61 C ATOM 2397 OG SER B 62 19.270 12.145 -4.019 1.00 0.70 O ATOM 0 H SER B 62 19.805 9.743 -4.462 1.00 0.55 H new ATOM 0 HA SER B 62 18.945 11.352 -6.623 1.00 0.59 H new ATOM 0 HB2 SER B 62 21.210 11.830 -4.633 1.00 0.61 H new ATOM 0 HB3 SER B 62 20.335 13.056 -5.528 1.00 0.61 H new ATOM 0 HG SER B 62 19.374 11.373 -3.425 1.00 0.70 H new ATOM 2403 N LYS B 63 21.778 9.870 -7.026 1.00 0.63 N ATOM 2404 CA LYS B 63 22.882 9.656 -7.952 1.00 0.69 C ATOM 2405 C LYS B 63 22.475 8.727 -9.096 1.00 0.71 C ATOM 2406 O LYS B 63 22.785 8.985 -10.258 1.00 0.82 O ATOM 2407 CB LYS B 63 24.082 9.077 -7.203 1.00 0.72 C ATOM 2408 CG LYS B 63 25.416 9.365 -7.870 1.00 0.84 C ATOM 2409 CD LYS B 63 25.658 10.862 -8.011 1.00 1.00 C ATOM 2410 CE LYS B 63 27.048 11.251 -7.531 1.00 1.04 C ATOM 2411 NZ LYS B 63 28.122 10.646 -8.365 1.00 1.28 N ATOM 0 H LYS B 63 21.694 9.161 -6.297 1.00 0.63 H new ATOM 0 HA LYS B 63 23.156 10.618 -8.385 1.00 0.69 H new ATOM 0 HB2 LYS B 63 24.097 9.482 -6.191 1.00 0.72 H new ATOM 0 HB3 LYS B 63 23.956 7.998 -7.113 1.00 0.72 H new ATOM 0 HG2 LYS B 63 26.220 8.919 -7.285 1.00 0.84 H new ATOM 0 HG3 LYS B 63 25.440 8.897 -8.854 1.00 0.84 H new ATOM 0 HD2 LYS B 63 25.537 11.154 -9.054 1.00 1.00 H new ATOM 0 HD3 LYS B 63 24.908 11.408 -7.438 1.00 1.00 H new ATOM 0 HE2 LYS B 63 27.146 12.336 -7.548 1.00 1.04 H new ATOM 0 HE3 LYS B 63 27.174 10.936 -6.495 1.00 1.04 H new ATOM 0 HZ1 LYS B 63 29.051 10.939 -8.001 1.00 1.28 H new ATOM 0 HZ2 LYS B 63 28.047 9.609 -8.329 1.00 1.28 H new ATOM 0 HZ3 LYS B 63 28.020 10.967 -9.349 1.00 1.28 H new ATOM 2425 N ARG B 64 21.779 7.649 -8.760 1.00 0.67 N ATOM 2426 CA ARG B 64 21.343 6.682 -9.761 1.00 0.70 C ATOM 2427 C ARG B 64 20.130 7.193 -10.535 1.00 0.70 C ATOM 2428 O ARG B 64 20.195 7.385 -11.752 1.00 0.75 O ATOM 2429 CB ARG B 64 21.013 5.339 -9.098 1.00 0.70 C ATOM 2430 CG ARG B 64 22.156 4.752 -8.281 1.00 0.72 C ATOM 2431 CD ARG B 64 23.226 4.116 -9.161 1.00 0.81 C ATOM 2432 NE ARG B 64 24.119 5.108 -9.764 1.00 0.84 N ATOM 2433 CZ ARG B 64 25.187 5.625 -9.154 1.00 0.95 C ATOM 2434 NH1 ARG B 64 25.506 5.251 -7.920 1.00 1.05 N ATOM 2435 NH2 ARG B 64 25.937 6.520 -9.782 1.00 1.07 N ATOM 0 H ARG B 64 21.504 7.422 -7.804 1.00 0.67 H new ATOM 0 HA ARG B 64 22.162 6.541 -10.466 1.00 0.70 H new ATOM 0 HB2 ARG B 64 20.147 5.469 -8.450 1.00 0.70 H new ATOM 0 HB3 ARG B 64 20.729 4.625 -9.871 1.00 0.70 H new ATOM 0 HG2 ARG B 64 22.607 5.537 -7.674 1.00 0.72 H new ATOM 0 HG3 ARG B 64 21.762 4.004 -7.593 1.00 0.72 H new ATOM 0 HD2 ARG B 64 23.814 3.417 -8.565 1.00 0.81 H new ATOM 0 HD3 ARG B 64 22.746 3.537 -9.950 1.00 0.81 H new ATOM 0 HE ARG B 64 23.911 5.424 -10.711 1.00 0.84 H new ATOM 0 HH11 ARG B 64 24.933 4.563 -7.431 1.00 1.05 H new ATOM 0 HH12 ARG B 64 26.324 5.651 -7.461 1.00 1.05 H new ATOM 0 HH21 ARG B 64 25.697 6.812 -10.729 1.00 1.07 H new ATOM 0 HH22 ARG B 64 26.754 6.917 -9.318 1.00 1.07 H new ATOM 2449 N PHE B 65 19.031 7.423 -9.827 1.00 0.67 N ATOM 2450 CA PHE B 65 17.804 7.898 -10.451 1.00 0.68 C ATOM 2451 C PHE B 65 17.949 9.346 -10.888 1.00 0.70 C ATOM 2452 O PHE B 65 17.566 9.707 -11.998 1.00 0.75 O ATOM 2453 CB PHE B 65 16.633 7.772 -9.479 1.00 0.66 C ATOM 2454 CG PHE B 65 15.545 6.851 -9.953 1.00 0.68 C ATOM 2455 CD1 PHE B 65 14.938 7.048 -11.185 1.00 0.82 C ATOM 2456 CD2 PHE B 65 15.126 5.790 -9.167 1.00 0.88 C ATOM 2457 CE1 PHE B 65 13.936 6.202 -11.621 1.00 0.97 C ATOM 2458 CE2 PHE B 65 14.126 4.941 -9.600 1.00 1.02 C ATOM 2459 CZ PHE B 65 13.529 5.148 -10.827 1.00 1.00 C ATOM 0 H PHE B 65 18.965 7.288 -8.818 1.00 0.67 H new ATOM 0 HA PHE B 65 17.610 7.283 -11.330 1.00 0.68 H new ATOM 0 HB2 PHE B 65 17.007 7.414 -8.520 1.00 0.66 H new ATOM 0 HB3 PHE B 65 16.209 8.761 -9.306 1.00 0.66 H new ATOM 0 HD1 PHE B 65 15.252 7.871 -11.810 1.00 0.82 H new ATOM 0 HD2 PHE B 65 15.587 5.625 -8.204 1.00 0.88 H new ATOM 0 HE1 PHE B 65 13.471 6.365 -12.582 1.00 0.97 H new ATOM 0 HE2 PHE B 65 13.811 4.116 -8.979 1.00 1.02 H new ATOM 0 HZ PHE B 65 12.745 4.487 -11.166 1.00 1.00 H new ATOM 2469 N LYS B 66 18.500 10.164 -9.996 1.00 0.68 N ATOM 2470 CA LYS B 66 18.716 11.582 -10.265 1.00 0.71 C ATOM 2471 C LYS B 66 17.390 12.306 -10.525 1.00 0.70 C ATOM 2472 O LYS B 66 17.014 12.560 -11.670 1.00 0.83 O ATOM 2473 CB LYS B 66 19.668 11.765 -11.454 1.00 0.79 C ATOM 2474 CG LYS B 66 20.017 13.216 -11.757 1.00 0.93 C ATOM 2475 CD LYS B 66 20.626 13.366 -13.143 1.00 1.05 C ATOM 2476 CE LYS B 66 19.584 13.174 -14.239 1.00 1.07 C ATOM 2477 NZ LYS B 66 20.202 13.081 -15.590 1.00 1.27 N ATOM 0 H LYS B 66 18.808 9.865 -9.071 1.00 0.68 H new ATOM 0 HA LYS B 66 19.173 12.025 -9.380 1.00 0.71 H new ATOM 0 HB2 LYS B 66 20.588 11.215 -11.256 1.00 0.79 H new ATOM 0 HB3 LYS B 66 19.215 11.319 -12.340 1.00 0.79 H new ATOM 0 HG2 LYS B 66 19.119 13.830 -11.685 1.00 0.93 H new ATOM 0 HG3 LYS B 66 20.718 13.587 -11.009 1.00 0.93 H new ATOM 0 HD2 LYS B 66 21.076 14.354 -13.238 1.00 1.05 H new ATOM 0 HD3 LYS B 66 21.427 12.637 -13.270 1.00 1.05 H new ATOM 0 HE2 LYS B 66 19.012 12.268 -14.040 1.00 1.07 H new ATOM 0 HE3 LYS B 66 18.880 14.006 -14.219 1.00 1.07 H new ATOM 0 HZ1 LYS B 66 19.457 12.951 -16.304 1.00 1.27 H new ATOM 0 HZ2 LYS B 66 20.727 13.956 -15.793 1.00 1.27 H new ATOM 0 HZ3 LYS B 66 20.854 12.271 -15.618 1.00 1.27 H new ATOM 2491 N SER B 67 16.676 12.611 -9.456 1.00 0.66 N ATOM 2492 CA SER B 67 15.406 13.316 -9.559 1.00 0.68 C ATOM 2493 C SER B 67 15.341 14.443 -8.531 1.00 0.69 C ATOM 2494 O SER B 67 15.153 15.606 -8.885 1.00 0.90 O ATOM 2495 CB SER B 67 14.244 12.344 -9.356 1.00 0.68 C ATOM 2496 OG SER B 67 14.475 11.132 -10.053 1.00 1.34 O ATOM 0 H SER B 67 16.954 12.381 -8.502 1.00 0.66 H new ATOM 0 HA SER B 67 15.327 13.750 -10.556 1.00 0.68 H new ATOM 0 HB2 SER B 67 14.117 12.139 -8.293 1.00 0.68 H new ATOM 0 HB3 SER B 67 13.318 12.799 -9.706 1.00 0.68 H new ATOM 0 HG SER B 67 13.721 10.523 -9.909 1.00 1.34 H new ATOM 2502 N GLN B 68 15.503 14.086 -7.264 1.00 0.59 N ATOM 2503 CA GLN B 68 15.473 15.051 -6.170 1.00 0.59 C ATOM 2504 C GLN B 68 16.131 14.438 -4.939 1.00 0.54 C ATOM 2505 O GLN B 68 16.337 13.226 -4.889 1.00 0.52 O ATOM 2506 CB GLN B 68 14.034 15.471 -5.856 1.00 0.64 C ATOM 2507 CG GLN B 68 13.724 16.905 -6.258 1.00 0.79 C ATOM 2508 CD GLN B 68 12.298 17.093 -6.734 1.00 0.85 C ATOM 2509 OE1 GLN B 68 11.694 16.179 -7.294 1.00 1.14 O ATOM 2510 NE2 GLN B 68 11.754 18.281 -6.523 1.00 1.09 N ATOM 0 H GLN B 68 15.658 13.123 -6.965 1.00 0.59 H new ATOM 0 HA GLN B 68 16.024 15.943 -6.467 1.00 0.59 H new ATOM 0 HB2 GLN B 68 13.347 14.800 -6.371 1.00 0.64 H new ATOM 0 HB3 GLN B 68 13.854 15.354 -4.787 1.00 0.64 H new ATOM 0 HG2 GLN B 68 13.907 17.562 -5.408 1.00 0.79 H new ATOM 0 HG3 GLN B 68 14.408 17.210 -7.050 1.00 0.79 H new ATOM 0 HE21 GLN B 68 12.290 19.011 -6.055 1.00 1.09 H new ATOM 0 HE22 GLN B 68 10.799 18.466 -6.829 1.00 1.09 H new ATOM 2519 N THR B 69 16.459 15.260 -3.951 1.00 0.56 N ATOM 2520 CA THR B 69 17.109 14.761 -2.749 1.00 0.56 C ATOM 2521 C THR B 69 16.366 15.168 -1.477 1.00 0.54 C ATOM 2522 O THR B 69 15.767 14.325 -0.807 1.00 0.55 O ATOM 2523 CB THR B 69 18.571 15.241 -2.674 1.00 0.63 C ATOM 2524 OG1 THR B 69 19.206 15.034 -3.944 1.00 0.74 O ATOM 2525 CG2 THR B 69 19.339 14.488 -1.595 1.00 0.70 C ATOM 0 H THR B 69 16.287 16.265 -3.958 1.00 0.56 H new ATOM 0 HA THR B 69 17.090 13.673 -2.814 1.00 0.56 H new ATOM 0 HB THR B 69 18.574 16.302 -2.422 1.00 0.63 H new ATOM 0 HG1 THR B 69 19.157 14.085 -4.184 1.00 0.74 H new ATOM 0 HG21 THR B 69 20.368 14.846 -1.564 1.00 0.70 H new ATOM 0 HG22 THR B 69 18.866 14.656 -0.627 1.00 0.70 H new ATOM 0 HG23 THR B 69 19.333 13.422 -1.821 1.00 0.70 H new ATOM 2533 N ASP B 70 16.385 16.455 -1.158 1.00 0.56 N ATOM 2534 CA ASP B 70 15.732 16.952 0.049 1.00 0.58 C ATOM 2535 C ASP B 70 14.217 16.813 -0.032 1.00 0.55 C ATOM 2536 O ASP B 70 13.559 16.489 0.955 1.00 0.57 O ATOM 2537 CB ASP B 70 16.108 18.411 0.292 1.00 0.66 C ATOM 2538 CG ASP B 70 15.619 18.918 1.632 1.00 0.76 C ATOM 2539 OD1 ASP B 70 16.081 18.398 2.672 1.00 0.99 O ATOM 2540 OD2 ASP B 70 14.778 19.841 1.654 1.00 0.95 O ATOM 0 H ASP B 70 16.844 17.174 -1.716 1.00 0.56 H new ATOM 0 HA ASP B 70 16.080 16.345 0.884 1.00 0.58 H new ATOM 0 HB2 ASP B 70 17.192 18.518 0.240 1.00 0.66 H new ATOM 0 HB3 ASP B 70 15.688 19.029 -0.502 1.00 0.66 H new ATOM 2545 N GLN B 71 13.662 17.043 -1.214 1.00 0.56 N ATOM 2546 CA GLN B 71 12.220 16.946 -1.401 1.00 0.58 C ATOM 2547 C GLN B 71 11.804 15.524 -1.763 1.00 0.54 C ATOM 2548 O GLN B 71 10.631 15.257 -2.000 1.00 0.66 O ATOM 2549 CB GLN B 71 11.758 17.927 -2.477 1.00 0.65 C ATOM 2550 CG GLN B 71 11.973 19.383 -2.094 1.00 0.83 C ATOM 2551 CD GLN B 71 11.411 20.344 -3.119 1.00 0.92 C ATOM 2552 OE1 GLN B 71 10.255 20.758 -3.030 1.00 1.13 O ATOM 2553 NE2 GLN B 71 12.224 20.708 -4.097 1.00 1.18 N ATOM 0 H GLN B 71 14.184 17.296 -2.053 1.00 0.56 H new ATOM 0 HA GLN B 71 11.739 17.205 -0.458 1.00 0.58 H new ATOM 0 HB2 GLN B 71 12.294 17.719 -3.403 1.00 0.65 H new ATOM 0 HB3 GLN B 71 10.699 17.764 -2.678 1.00 0.65 H new ATOM 0 HG2 GLN B 71 11.505 19.574 -1.128 1.00 0.83 H new ATOM 0 HG3 GLN B 71 13.040 19.569 -1.974 1.00 0.83 H new ATOM 0 HE21 GLN B 71 13.175 20.341 -4.133 1.00 1.18 H new ATOM 0 HE22 GLN B 71 11.900 21.356 -4.815 1.00 1.18 H new ATOM 2562 N LEU B 72 12.765 14.615 -1.793 1.00 0.51 N ATOM 2563 CA LEU B 72 12.483 13.227 -2.122 1.00 0.49 C ATOM 2564 C LEU B 72 12.146 12.450 -0.853 1.00 0.43 C ATOM 2565 O LEU B 72 13.012 12.225 -0.005 1.00 0.51 O ATOM 2566 CB LEU B 72 13.683 12.595 -2.826 1.00 0.57 C ATOM 2567 CG LEU B 72 13.344 11.443 -3.769 1.00 0.72 C ATOM 2568 CD1 LEU B 72 12.829 11.975 -5.099 1.00 0.88 C ATOM 2569 CD2 LEU B 72 14.562 10.554 -3.976 1.00 1.00 C ATOM 0 H LEU B 72 13.746 14.813 -1.594 1.00 0.51 H new ATOM 0 HA LEU B 72 11.627 13.191 -2.796 1.00 0.49 H new ATOM 0 HB2 LEU B 72 14.201 13.368 -3.393 1.00 0.57 H new ATOM 0 HB3 LEU B 72 14.380 12.233 -2.070 1.00 0.57 H new ATOM 0 HG LEU B 72 12.555 10.843 -3.316 1.00 0.72 H new ATOM 0 HD11 LEU B 72 12.593 11.140 -5.758 1.00 0.88 H new ATOM 0 HD12 LEU B 72 11.931 12.569 -4.930 1.00 0.88 H new ATOM 0 HD13 LEU B 72 13.594 12.598 -5.563 1.00 0.88 H new ATOM 0 HD21 LEU B 72 14.306 9.737 -4.650 1.00 1.00 H new ATOM 0 HD22 LEU B 72 15.372 11.141 -4.409 1.00 1.00 H new ATOM 0 HD23 LEU B 72 14.882 10.146 -3.017 1.00 1.00 H new ATOM 2581 N VAL B 73 10.892 12.049 -0.717 1.00 0.37 N ATOM 2582 CA VAL B 73 10.456 11.315 0.462 1.00 0.35 C ATOM 2583 C VAL B 73 9.870 9.960 0.072 1.00 0.30 C ATOM 2584 O VAL B 73 9.166 9.846 -0.934 1.00 0.31 O ATOM 2585 CB VAL B 73 9.405 12.122 1.263 1.00 0.42 C ATOM 2586 CG1 VAL B 73 9.075 11.439 2.582 1.00 0.46 C ATOM 2587 CG2 VAL B 73 9.887 13.544 1.508 1.00 0.55 C ATOM 0 H VAL B 73 10.159 12.218 -1.406 1.00 0.37 H new ATOM 0 HA VAL B 73 11.332 11.157 1.091 1.00 0.35 H new ATOM 0 HB VAL B 73 8.494 12.163 0.666 1.00 0.42 H new ATOM 0 HG11 VAL B 73 8.334 12.029 3.122 1.00 0.46 H new ATOM 0 HG12 VAL B 73 8.674 10.444 2.386 1.00 0.46 H new ATOM 0 HG13 VAL B 73 9.980 11.354 3.184 1.00 0.46 H new ATOM 0 HG21 VAL B 73 9.132 14.092 2.072 1.00 0.55 H new ATOM 0 HG22 VAL B 73 10.818 13.520 2.075 1.00 0.55 H new ATOM 0 HG23 VAL B 73 10.057 14.040 0.553 1.00 0.55 H new ATOM 2597 N LEU B 74 10.179 8.937 0.860 1.00 0.30 N ATOM 2598 CA LEU B 74 9.670 7.597 0.611 1.00 0.29 C ATOM 2599 C LEU B 74 8.459 7.351 1.496 1.00 0.28 C ATOM 2600 O LEU B 74 8.378 7.886 2.597 1.00 0.36 O ATOM 2601 CB LEU B 74 10.746 6.538 0.890 1.00 0.33 C ATOM 2602 CG LEU B 74 11.751 6.281 -0.245 1.00 0.42 C ATOM 2603 CD1 LEU B 74 11.039 6.035 -1.564 1.00 0.57 C ATOM 2604 CD2 LEU B 74 12.724 7.439 -0.377 1.00 0.64 C ATOM 0 H LEU B 74 10.782 9.012 1.679 1.00 0.30 H new ATOM 0 HA LEU B 74 9.385 7.519 -0.438 1.00 0.29 H new ATOM 0 HB2 LEU B 74 11.301 6.838 1.779 1.00 0.33 H new ATOM 0 HB3 LEU B 74 10.249 5.598 1.128 1.00 0.33 H new ATOM 0 HG LEU B 74 12.314 5.383 0.009 1.00 0.42 H new ATOM 0 HD11 LEU B 74 11.776 5.856 -2.347 1.00 0.57 H new ATOM 0 HD12 LEU B 74 10.390 5.164 -1.470 1.00 0.57 H new ATOM 0 HD13 LEU B 74 10.439 6.908 -1.822 1.00 0.57 H new ATOM 0 HD21 LEU B 74 13.425 7.235 -1.186 1.00 0.64 H new ATOM 0 HD22 LEU B 74 12.173 8.354 -0.596 1.00 0.64 H new ATOM 0 HD23 LEU B 74 13.273 7.561 0.557 1.00 0.64 H new ATOM 2616 N ILE B 75 7.510 6.567 1.011 1.00 0.29 N ATOM 2617 CA ILE B 75 6.301 6.273 1.770 1.00 0.33 C ATOM 2618 C ILE B 75 6.118 4.771 1.943 1.00 0.31 C ATOM 2619 O ILE B 75 6.419 3.996 1.037 1.00 0.36 O ATOM 2620 CB ILE B 75 5.043 6.844 1.073 1.00 0.43 C ATOM 2621 CG1 ILE B 75 5.219 8.332 0.758 1.00 0.47 C ATOM 2622 CG2 ILE B 75 3.809 6.630 1.936 1.00 0.54 C ATOM 2623 CD1 ILE B 75 5.458 9.195 1.979 1.00 0.74 C ATOM 0 H ILE B 75 7.552 6.121 0.094 1.00 0.29 H new ATOM 0 HA ILE B 75 6.419 6.745 2.745 1.00 0.33 H new ATOM 0 HB ILE B 75 4.908 6.309 0.133 1.00 0.43 H new ATOM 0 HG12 ILE B 75 6.057 8.451 0.072 1.00 0.47 H new ATOM 0 HG13 ILE B 75 4.330 8.691 0.240 1.00 0.47 H new ATOM 0 HG21 ILE B 75 2.935 7.038 1.429 1.00 0.54 H new ATOM 0 HG22 ILE B 75 3.664 5.563 2.106 1.00 0.54 H new ATOM 0 HG23 ILE B 75 3.942 7.135 2.893 1.00 0.54 H new ATOM 0 HD11 ILE B 75 5.573 10.235 1.673 1.00 0.74 H new ATOM 0 HD12 ILE B 75 4.610 9.108 2.658 1.00 0.74 H new ATOM 0 HD13 ILE B 75 6.364 8.864 2.487 1.00 0.74 H new ATOM 2635 N PHE B 76 5.645 4.369 3.113 1.00 0.31 N ATOM 2636 CA PHE B 76 5.396 2.967 3.400 1.00 0.35 C ATOM 2637 C PHE B 76 3.971 2.788 3.927 1.00 0.31 C ATOM 2638 O PHE B 76 3.762 2.425 5.088 1.00 0.40 O ATOM 2639 CB PHE B 76 6.423 2.427 4.402 1.00 0.48 C ATOM 2640 CG PHE B 76 6.269 0.960 4.700 1.00 0.55 C ATOM 2641 CD1 PHE B 76 6.282 0.027 3.678 1.00 0.65 C ATOM 2642 CD2 PHE B 76 6.102 0.522 6.002 1.00 0.62 C ATOM 2643 CE1 PHE B 76 6.130 -1.318 3.950 1.00 0.77 C ATOM 2644 CE2 PHE B 76 5.952 -0.823 6.281 1.00 0.72 C ATOM 2645 CZ PHE B 76 5.965 -1.744 5.253 1.00 0.78 C ATOM 0 H PHE B 76 5.425 5.000 3.883 1.00 0.31 H new ATOM 0 HA PHE B 76 5.500 2.396 2.478 1.00 0.35 H new ATOM 0 HB2 PHE B 76 7.425 2.606 4.012 1.00 0.48 H new ATOM 0 HB3 PHE B 76 6.338 2.988 5.333 1.00 0.48 H new ATOM 0 HD1 PHE B 76 6.412 0.354 2.657 1.00 0.65 H new ATOM 0 HD2 PHE B 76 6.089 1.239 6.809 1.00 0.62 H new ATOM 0 HE1 PHE B 76 6.140 -2.037 3.144 1.00 0.77 H new ATOM 0 HE2 PHE B 76 5.825 -1.153 7.301 1.00 0.72 H new ATOM 0 HZ PHE B 76 5.846 -2.796 5.467 1.00 0.78 H new ATOM 2655 N ALA B 77 3.002 3.098 3.069 1.00 0.40 N ATOM 2656 CA ALA B 77 1.583 2.965 3.390 1.00 0.48 C ATOM 2657 C ALA B 77 1.190 3.758 4.636 1.00 0.41 C ATOM 2658 O ALA B 77 1.093 3.208 5.735 1.00 0.44 O ATOM 2659 CB ALA B 77 1.219 1.496 3.553 1.00 0.62 C ATOM 0 H ALA B 77 3.179 3.450 2.128 1.00 0.40 H new ATOM 0 HA ALA B 77 1.020 3.386 2.557 1.00 0.48 H new ATOM 0 HB1 ALA B 77 0.159 1.408 3.792 1.00 0.62 H new ATOM 0 HB2 ALA B 77 1.427 0.964 2.624 1.00 0.62 H new ATOM 0 HB3 ALA B 77 1.810 1.062 4.359 1.00 0.62 H new ATOM 2665 N GLY B 78 0.957 5.052 4.459 1.00 0.46 N ATOM 2666 CA GLY B 78 0.574 5.894 5.577 1.00 0.54 C ATOM 2667 C GLY B 78 1.735 6.281 6.472 1.00 0.50 C ATOM 2668 O GLY B 78 1.527 6.728 7.597 1.00 0.63 O ATOM 0 H GLY B 78 1.026 5.534 3.563 1.00 0.46 H new ATOM 0 HA2 GLY B 78 0.104 6.800 5.194 1.00 0.54 H new ATOM 0 HA3 GLY B 78 -0.175 5.373 6.173 1.00 0.54 H new ATOM 2672 N LYS B 79 2.953 6.127 5.976 1.00 0.42 N ATOM 2673 CA LYS B 79 4.139 6.461 6.754 1.00 0.43 C ATOM 2674 C LYS B 79 5.159 7.186 5.887 1.00 0.39 C ATOM 2675 O LYS B 79 5.480 6.728 4.790 1.00 0.43 O ATOM 2676 CB LYS B 79 4.764 5.190 7.340 1.00 0.50 C ATOM 2677 CG LYS B 79 4.294 4.859 8.747 1.00 0.72 C ATOM 2678 CD LYS B 79 2.804 5.116 8.912 1.00 1.16 C ATOM 2679 CE LYS B 79 2.340 4.828 10.328 1.00 1.57 C ATOM 2680 NZ LYS B 79 1.103 5.581 10.675 1.00 2.02 N ATOM 0 H LYS B 79 3.148 5.773 5.039 1.00 0.42 H new ATOM 0 HA LYS B 79 3.841 7.120 7.570 1.00 0.43 H new ATOM 0 HB2 LYS B 79 4.534 4.350 6.685 1.00 0.50 H new ATOM 0 HB3 LYS B 79 5.848 5.301 7.347 1.00 0.50 H new ATOM 0 HG2 LYS B 79 4.511 3.814 8.968 1.00 0.72 H new ATOM 0 HG3 LYS B 79 4.850 5.459 9.468 1.00 0.72 H new ATOM 0 HD2 LYS B 79 2.583 6.153 8.660 1.00 1.16 H new ATOM 0 HD3 LYS B 79 2.247 4.493 8.212 1.00 1.16 H new ATOM 0 HE2 LYS B 79 2.157 3.759 10.439 1.00 1.57 H new ATOM 0 HE3 LYS B 79 3.132 5.090 11.029 1.00 1.57 H new ATOM 0 HZ1 LYS B 79 1.320 6.285 11.409 1.00 2.02 H new ATOM 0 HZ2 LYS B 79 0.742 6.064 9.828 1.00 2.02 H new ATOM 0 HZ3 LYS B 79 0.383 4.920 11.030 1.00 2.02 H new ATOM 2694 N ILE B 80 5.654 8.322 6.373 1.00 0.37 N ATOM 2695 CA ILE B 80 6.648 9.095 5.636 1.00 0.39 C ATOM 2696 C ILE B 80 8.059 8.726 6.094 1.00 0.39 C ATOM 2697 O ILE B 80 8.406 8.885 7.266 1.00 0.61 O ATOM 2698 CB ILE B 80 6.440 10.625 5.786 1.00 0.52 C ATOM 2699 CG1 ILE B 80 6.221 11.014 7.250 1.00 0.67 C ATOM 2700 CG2 ILE B 80 5.264 11.083 4.936 1.00 0.97 C ATOM 2701 CD1 ILE B 80 6.286 12.505 7.497 1.00 1.18 C ATOM 0 H ILE B 80 5.384 8.725 7.270 1.00 0.37 H new ATOM 0 HA ILE B 80 6.522 8.844 4.583 1.00 0.39 H new ATOM 0 HB ILE B 80 7.344 11.124 5.438 1.00 0.52 H new ATOM 0 HG12 ILE B 80 5.249 10.643 7.574 1.00 0.67 H new ATOM 0 HG13 ILE B 80 6.973 10.519 7.865 1.00 0.67 H new ATOM 0 HG21 ILE B 80 5.129 12.159 5.051 1.00 0.97 H new ATOM 0 HG22 ILE B 80 5.460 10.851 3.889 1.00 0.97 H new ATOM 0 HG23 ILE B 80 4.359 10.568 5.259 1.00 0.97 H new ATOM 0 HD11 ILE B 80 6.122 12.706 8.556 1.00 1.18 H new ATOM 0 HD12 ILE B 80 7.267 12.880 7.204 1.00 1.18 H new ATOM 0 HD13 ILE B 80 5.516 13.005 6.909 1.00 1.18 H new ATOM 2713 N LEU B 81 8.858 8.219 5.169 1.00 0.30 N ATOM 2714 CA LEU B 81 10.227 7.820 5.467 1.00 0.34 C ATOM 2715 C LEU B 81 11.198 8.943 5.129 1.00 0.36 C ATOM 2716 O LEU B 81 11.243 9.433 3.997 1.00 0.46 O ATOM 2717 CB LEU B 81 10.607 6.556 4.687 1.00 0.44 C ATOM 2718 CG LEU B 81 10.017 5.247 5.221 1.00 0.57 C ATOM 2719 CD1 LEU B 81 8.541 5.143 4.887 1.00 1.01 C ATOM 2720 CD2 LEU B 81 10.772 4.057 4.655 1.00 0.78 C ATOM 0 H LEU B 81 8.581 8.073 4.198 1.00 0.30 H new ATOM 0 HA LEU B 81 10.289 7.607 6.534 1.00 0.34 H new ATOM 0 HB2 LEU B 81 10.290 6.681 3.651 1.00 0.44 H new ATOM 0 HB3 LEU B 81 11.693 6.468 4.680 1.00 0.44 H new ATOM 0 HG LEU B 81 10.122 5.244 6.306 1.00 0.57 H new ATOM 0 HD11 LEU B 81 8.145 4.205 5.277 1.00 1.01 H new ATOM 0 HD12 LEU B 81 8.006 5.978 5.339 1.00 1.01 H new ATOM 0 HD13 LEU B 81 8.410 5.171 3.805 1.00 1.01 H new ATOM 0 HD21 LEU B 81 10.341 3.134 5.044 1.00 0.78 H new ATOM 0 HD22 LEU B 81 10.697 4.062 3.568 1.00 0.78 H new ATOM 0 HD23 LEU B 81 11.820 4.119 4.947 1.00 0.78 H new ATOM 2732 N LYS B 82 11.977 9.337 6.117 1.00 0.39 N ATOM 2733 CA LYS B 82 12.943 10.403 5.954 1.00 0.47 C ATOM 2734 C LYS B 82 14.201 10.083 6.755 1.00 0.49 C ATOM 2735 O LYS B 82 14.439 8.932 7.111 1.00 0.63 O ATOM 2736 CB LYS B 82 12.335 11.732 6.417 1.00 0.54 C ATOM 2737 CG LYS B 82 12.654 12.902 5.500 1.00 0.94 C ATOM 2738 CD LYS B 82 12.071 14.205 6.025 1.00 1.01 C ATOM 2739 CE LYS B 82 10.559 14.251 5.868 1.00 1.22 C ATOM 2740 NZ LYS B 82 9.998 15.565 6.276 1.00 1.35 N ATOM 0 H LYS B 82 11.958 8.929 7.051 1.00 0.39 H new ATOM 0 HA LYS B 82 13.211 10.492 4.901 1.00 0.47 H new ATOM 0 HB2 LYS B 82 11.253 11.621 6.487 1.00 0.54 H new ATOM 0 HB3 LYS B 82 12.698 11.958 7.420 1.00 0.54 H new ATOM 0 HG2 LYS B 82 13.735 13.001 5.400 1.00 0.94 H new ATOM 0 HG3 LYS B 82 12.259 12.702 4.504 1.00 0.94 H new ATOM 0 HD2 LYS B 82 12.331 14.322 7.077 1.00 1.01 H new ATOM 0 HD3 LYS B 82 12.518 15.044 5.491 1.00 1.01 H new ATOM 0 HE2 LYS B 82 10.296 14.051 4.829 1.00 1.22 H new ATOM 0 HE3 LYS B 82 10.108 13.461 6.469 1.00 1.22 H new ATOM 0 HZ1 LYS B 82 8.965 15.555 6.154 1.00 1.35 H new ATOM 0 HZ2 LYS B 82 10.227 15.745 7.274 1.00 1.35 H new ATOM 0 HZ3 LYS B 82 10.409 16.316 5.686 1.00 1.35 H new ATOM 2754 N ASP B 83 14.995 11.101 7.051 1.00 0.60 N ATOM 2755 CA ASP B 83 16.224 10.919 7.815 1.00 0.68 C ATOM 2756 C ASP B 83 15.923 10.768 9.302 1.00 0.68 C ATOM 2757 O ASP B 83 16.824 10.547 10.112 1.00 0.89 O ATOM 2758 CB ASP B 83 17.161 12.105 7.601 1.00 0.88 C ATOM 2759 CG ASP B 83 16.559 13.414 8.077 1.00 1.20 C ATOM 2760 OD1 ASP B 83 15.658 13.942 7.391 1.00 1.56 O ATOM 2761 OD2 ASP B 83 16.984 13.925 9.135 1.00 1.52 O ATOM 0 H ASP B 83 14.811 12.065 6.774 1.00 0.60 H new ATOM 0 HA ASP B 83 16.708 10.008 7.462 1.00 0.68 H new ATOM 0 HB2 ASP B 83 18.096 11.925 8.131 1.00 0.88 H new ATOM 0 HB3 ASP B 83 17.405 12.185 6.542 1.00 0.88 H new ATOM 2766 N GLN B 84 14.651 10.877 9.649 1.00 0.60 N ATOM 2767 CA GLN B 84 14.220 10.767 11.032 1.00 0.67 C ATOM 2768 C GLN B 84 14.035 9.306 11.440 1.00 0.61 C ATOM 2769 O GLN B 84 14.194 8.957 12.611 1.00 0.81 O ATOM 2770 CB GLN B 84 12.913 11.533 11.235 1.00 0.77 C ATOM 2771 CG GLN B 84 13.037 13.031 11.003 1.00 0.93 C ATOM 2772 CD GLN B 84 11.747 13.774 11.296 1.00 1.13 C ATOM 2773 OE1 GLN B 84 10.962 13.364 12.151 1.00 1.32 O ATOM 2774 NE2 GLN B 84 11.519 14.869 10.589 1.00 1.28 N ATOM 0 H GLN B 84 13.894 11.043 8.986 1.00 0.60 H new ATOM 0 HA GLN B 84 14.996 11.200 11.663 1.00 0.67 H new ATOM 0 HB2 GLN B 84 12.159 11.131 10.559 1.00 0.77 H new ATOM 0 HB3 GLN B 84 12.555 11.360 12.250 1.00 0.77 H new ATOM 0 HG2 GLN B 84 13.832 13.428 11.634 1.00 0.93 H new ATOM 0 HG3 GLN B 84 13.330 13.212 9.969 1.00 0.93 H new ATOM 0 HE21 GLN B 84 12.196 15.175 9.890 1.00 1.28 H new ATOM 0 HE22 GLN B 84 10.667 15.407 10.743 1.00 1.28 H new ATOM 2783 N ASP B 85 13.705 8.460 10.474 1.00 0.52 N ATOM 2784 CA ASP B 85 13.492 7.042 10.737 1.00 0.51 C ATOM 2785 C ASP B 85 14.506 6.194 9.974 1.00 0.44 C ATOM 2786 O ASP B 85 15.394 6.724 9.303 1.00 0.48 O ATOM 2787 CB ASP B 85 12.061 6.629 10.373 1.00 0.61 C ATOM 2788 CG ASP B 85 11.707 6.890 8.921 1.00 0.68 C ATOM 2789 OD1 ASP B 85 11.766 8.064 8.488 1.00 0.76 O ATOM 2790 OD2 ASP B 85 11.331 5.927 8.220 1.00 0.86 O ATOM 0 H ASP B 85 13.579 8.731 9.499 1.00 0.52 H new ATOM 0 HA ASP B 85 13.635 6.870 11.804 1.00 0.51 H new ATOM 0 HB2 ASP B 85 11.933 5.568 10.585 1.00 0.61 H new ATOM 0 HB3 ASP B 85 11.362 7.169 11.012 1.00 0.61 H new ATOM 2795 N THR B 86 14.382 4.878 10.082 1.00 0.49 N ATOM 2796 CA THR B 86 15.307 3.971 9.418 1.00 0.47 C ATOM 2797 C THR B 86 14.571 2.981 8.515 1.00 0.42 C ATOM 2798 O THR B 86 13.629 2.309 8.945 1.00 0.41 O ATOM 2799 CB THR B 86 16.146 3.191 10.446 1.00 0.54 C ATOM 2800 OG1 THR B 86 16.310 3.975 11.635 1.00 0.67 O ATOM 2801 CG2 THR B 86 17.511 2.844 9.877 1.00 0.67 C ATOM 0 H THR B 86 13.651 4.416 10.622 1.00 0.49 H new ATOM 0 HA THR B 86 15.966 4.584 8.803 1.00 0.47 H new ATOM 0 HB THR B 86 15.621 2.266 10.685 1.00 0.54 H new ATOM 0 HG1 THR B 86 16.843 3.473 12.287 1.00 0.67 H new ATOM 0 HG21 THR B 86 18.086 2.293 10.621 1.00 0.67 H new ATOM 0 HG22 THR B 86 17.388 2.229 8.985 1.00 0.67 H new ATOM 0 HG23 THR B 86 18.040 3.761 9.615 1.00 0.67 H new ATOM 2809 N LEU B 87 15.018 2.897 7.264 1.00 0.43 N ATOM 2810 CA LEU B 87 14.423 1.999 6.279 1.00 0.42 C ATOM 2811 C LEU B 87 14.531 0.546 6.727 1.00 0.42 C ATOM 2812 O LEU B 87 13.551 -0.191 6.705 1.00 0.44 O ATOM 2813 CB LEU B 87 15.121 2.173 4.927 1.00 0.51 C ATOM 2814 CG LEU B 87 14.559 1.334 3.779 1.00 0.52 C ATOM 2815 CD1 LEU B 87 13.316 1.987 3.198 1.00 0.61 C ATOM 2816 CD2 LEU B 87 15.614 1.141 2.697 1.00 0.66 C ATOM 0 H LEU B 87 15.799 3.447 6.906 1.00 0.43 H new ATOM 0 HA LEU B 87 13.367 2.253 6.182 1.00 0.42 H new ATOM 0 HB2 LEU B 87 15.068 3.224 4.644 1.00 0.51 H new ATOM 0 HB3 LEU B 87 16.176 1.928 5.049 1.00 0.51 H new ATOM 0 HG LEU B 87 14.281 0.356 4.171 1.00 0.52 H new ATOM 0 HD11 LEU B 87 12.931 1.375 2.382 1.00 0.61 H new ATOM 0 HD12 LEU B 87 12.556 2.077 3.974 1.00 0.61 H new ATOM 0 HD13 LEU B 87 13.568 2.978 2.820 1.00 0.61 H new ATOM 0 HD21 LEU B 87 15.199 0.542 1.887 1.00 0.66 H new ATOM 0 HD22 LEU B 87 15.920 2.113 2.310 1.00 0.66 H new ATOM 0 HD23 LEU B 87 16.479 0.630 3.119 1.00 0.66 H new ATOM 2828 N ILE B 88 15.720 0.160 7.172 1.00 0.47 N ATOM 2829 CA ILE B 88 15.982 -1.212 7.613 1.00 0.53 C ATOM 2830 C ILE B 88 15.380 -1.516 8.990 1.00 0.54 C ATOM 2831 O ILE B 88 15.732 -2.515 9.618 1.00 0.66 O ATOM 2832 CB ILE B 88 17.500 -1.487 7.675 1.00 0.62 C ATOM 2833 CG1 ILE B 88 18.185 -0.489 8.615 1.00 0.65 C ATOM 2834 CG2 ILE B 88 18.110 -1.409 6.285 1.00 0.67 C ATOM 2835 CD1 ILE B 88 19.146 -1.132 9.590 1.00 0.91 C ATOM 0 H ILE B 88 16.527 0.780 7.239 1.00 0.47 H new ATOM 0 HA ILE B 88 15.506 -1.860 6.877 1.00 0.53 H new ATOM 0 HB ILE B 88 17.654 -2.493 8.065 1.00 0.62 H new ATOM 0 HG12 ILE B 88 18.725 0.247 8.019 1.00 0.65 H new ATOM 0 HG13 ILE B 88 17.422 0.052 9.174 1.00 0.65 H new ATOM 0 HG21 ILE B 88 19.180 -1.605 6.346 1.00 0.67 H new ATOM 0 HG22 ILE B 88 17.641 -2.152 5.640 1.00 0.67 H new ATOM 0 HG23 ILE B 88 17.946 -0.414 5.871 1.00 0.67 H new ATOM 0 HD11 ILE B 88 19.592 -0.364 10.222 1.00 0.91 H new ATOM 0 HD12 ILE B 88 18.608 -1.847 10.213 1.00 0.91 H new ATOM 0 HD13 ILE B 88 19.931 -1.649 9.039 1.00 0.91 H new ATOM 2847 N GLN B 89 14.477 -0.663 9.457 1.00 0.48 N ATOM 2848 CA GLN B 89 13.857 -0.863 10.757 1.00 0.53 C ATOM 2849 C GLN B 89 12.346 -1.063 10.629 1.00 0.52 C ATOM 2850 O GLN B 89 11.787 -2.001 11.199 1.00 0.71 O ATOM 2851 CB GLN B 89 14.157 0.322 11.678 1.00 0.57 C ATOM 2852 CG GLN B 89 13.638 0.149 13.098 1.00 0.69 C ATOM 2853 CD GLN B 89 14.173 -1.102 13.773 1.00 0.82 C ATOM 2854 OE1 GLN B 89 15.241 -1.084 14.388 1.00 0.96 O ATOM 2855 NE2 GLN B 89 13.430 -2.194 13.673 1.00 0.89 N ATOM 0 H GLN B 89 14.160 0.168 8.958 1.00 0.48 H new ATOM 0 HA GLN B 89 14.280 -1.768 11.193 1.00 0.53 H new ATOM 0 HB2 GLN B 89 15.235 0.478 11.713 1.00 0.57 H new ATOM 0 HB3 GLN B 89 13.718 1.223 11.249 1.00 0.57 H new ATOM 0 HG2 GLN B 89 13.914 1.022 13.690 1.00 0.69 H new ATOM 0 HG3 GLN B 89 12.549 0.109 13.079 1.00 0.69 H new ATOM 0 HE21 GLN B 89 12.552 -2.168 13.155 1.00 0.89 H new ATOM 0 HE22 GLN B 89 13.736 -3.061 14.114 1.00 0.89 H new ATOM 2864 N HIS B 90 11.684 -0.183 9.889 1.00 0.49 N ATOM 2865 CA HIS B 90 10.236 -0.286 9.724 1.00 0.51 C ATOM 2866 C HIS B 90 9.844 -0.333 8.251 1.00 0.50 C ATOM 2867 O HIS B 90 8.950 -1.084 7.870 1.00 0.75 O ATOM 2868 CB HIS B 90 9.533 0.890 10.418 1.00 0.59 C ATOM 2869 CG HIS B 90 8.034 0.821 10.362 1.00 0.72 C ATOM 2870 ND1 HIS B 90 7.252 1.823 9.832 1.00 0.96 N ATOM 2871 CD2 HIS B 90 7.175 -0.143 10.768 1.00 0.92 C ATOM 2872 CE1 HIS B 90 5.981 1.481 9.914 1.00 1.14 C ATOM 2873 NE2 HIS B 90 5.909 0.293 10.476 1.00 1.10 N ATOM 0 H HIS B 90 12.117 0.600 9.399 1.00 0.49 H new ATOM 0 HA HIS B 90 9.916 -1.219 10.189 1.00 0.51 H new ATOM 0 HB2 HIS B 90 9.847 0.924 11.461 1.00 0.59 H new ATOM 0 HB3 HIS B 90 9.862 1.821 9.956 1.00 0.59 H new ATOM 0 HD2 HIS B 90 7.438 -1.081 11.235 1.00 0.92 H new ATOM 0 HE1 HIS B 90 5.143 2.074 9.578 1.00 1.14 H new ATOM 0 HE2 HIS B 90 5.048 -0.221 10.664 1.00 1.10 H new ATOM 2882 N GLY B 91 10.511 0.476 7.441 1.00 0.45 N ATOM 2883 CA GLY B 91 10.217 0.529 6.021 1.00 0.46 C ATOM 2884 C GLY B 91 10.350 -0.814 5.331 1.00 0.45 C ATOM 2885 O GLY B 91 9.374 -1.349 4.811 1.00 0.64 O ATOM 0 H GLY B 91 11.257 1.102 7.744 1.00 0.45 H new ATOM 0 HA2 GLY B 91 9.203 0.903 5.881 1.00 0.46 H new ATOM 0 HA3 GLY B 91 10.889 1.243 5.544 1.00 0.46 H new ATOM 2889 N ILE B 92 11.554 -1.369 5.335 1.00 0.38 N ATOM 2890 CA ILE B 92 11.803 -2.649 4.689 1.00 0.39 C ATOM 2891 C ILE B 92 12.480 -3.624 5.648 1.00 0.41 C ATOM 2892 O ILE B 92 13.534 -3.327 6.208 1.00 0.46 O ATOM 2893 CB ILE B 92 12.701 -2.498 3.438 1.00 0.41 C ATOM 2894 CG1 ILE B 92 12.248 -1.320 2.565 1.00 0.40 C ATOM 2895 CG2 ILE B 92 12.709 -3.789 2.631 1.00 0.47 C ATOM 2896 CD1 ILE B 92 10.927 -1.541 1.859 1.00 0.43 C ATOM 0 H ILE B 92 12.373 -0.953 5.778 1.00 0.38 H new ATOM 0 HA ILE B 92 10.829 -3.035 4.388 1.00 0.39 H new ATOM 0 HB ILE B 92 13.716 -2.290 3.777 1.00 0.41 H new ATOM 0 HG12 ILE B 92 12.169 -0.430 3.189 1.00 0.40 H new ATOM 0 HG13 ILE B 92 13.017 -1.119 1.819 1.00 0.40 H new ATOM 0 HG21 ILE B 92 13.345 -3.666 1.754 1.00 0.47 H new ATOM 0 HG22 ILE B 92 13.094 -4.601 3.248 1.00 0.47 H new ATOM 0 HG23 ILE B 92 11.694 -4.025 2.312 1.00 0.47 H new ATOM 0 HD11 ILE B 92 10.681 -0.661 1.264 1.00 0.43 H new ATOM 0 HD12 ILE B 92 11.004 -2.411 1.206 1.00 0.43 H new ATOM 0 HD13 ILE B 92 10.144 -1.710 2.598 1.00 0.43 H new ATOM 2908 N HIS B 93 11.864 -4.780 5.847 1.00 0.46 N ATOM 2909 CA HIS B 93 12.436 -5.798 6.720 1.00 0.52 C ATOM 2910 C HIS B 93 13.153 -6.849 5.885 1.00 0.54 C ATOM 2911 O HIS B 93 14.077 -7.508 6.354 1.00 0.66 O ATOM 2912 CB HIS B 93 11.360 -6.463 7.576 1.00 0.58 C ATOM 2913 CG HIS B 93 11.165 -5.816 8.911 1.00 0.65 C ATOM 2914 ND1 HIS B 93 12.124 -5.824 9.902 1.00 1.25 N ATOM 2915 CD2 HIS B 93 10.109 -5.145 9.424 1.00 1.25 C ATOM 2916 CE1 HIS B 93 11.667 -5.187 10.960 1.00 1.14 C ATOM 2917 NE2 HIS B 93 10.447 -4.767 10.696 1.00 1.10 N ATOM 0 H HIS B 93 10.974 -5.037 5.420 1.00 0.46 H new ATOM 0 HA HIS B 93 13.147 -5.312 7.387 1.00 0.52 H new ATOM 0 HB2 HIS B 93 10.415 -6.446 7.033 1.00 0.58 H new ATOM 0 HB3 HIS B 93 11.623 -7.510 7.725 1.00 0.58 H new ATOM 0 HD2 HIS B 93 9.173 -4.945 8.924 1.00 1.25 H new ATOM 0 HE1 HIS B 93 12.201 -5.035 11.886 1.00 1.14 H new ATOM 0 HE2 HIS B 93 9.850 -4.244 11.336 1.00 1.10 H new ATOM 2926 N ASP B 94 12.718 -6.992 4.643 1.00 0.58 N ATOM 2927 CA ASP B 94 13.303 -7.960 3.721 1.00 0.63 C ATOM 2928 C ASP B 94 13.075 -7.507 2.287 1.00 0.78 C ATOM 2929 O ASP B 94 14.019 -7.325 1.520 1.00 1.65 O ATOM 2930 CB ASP B 94 12.683 -9.341 3.931 1.00 0.67 C ATOM 2931 CG ASP B 94 13.362 -10.421 3.112 1.00 0.79 C ATOM 2932 OD1 ASP B 94 14.347 -11.007 3.602 1.00 0.92 O ATOM 2933 OD2 ASP B 94 12.902 -10.705 1.983 1.00 1.08 O ATOM 0 H ASP B 94 11.954 -6.445 4.245 1.00 0.58 H new ATOM 0 HA ASP B 94 14.374 -8.024 3.915 1.00 0.63 H new ATOM 0 HB2 ASP B 94 12.740 -9.603 4.988 1.00 0.67 H new ATOM 0 HB3 ASP B 94 11.626 -9.303 3.669 1.00 0.67 H new ATOM 2938 N GLY B 95 11.810 -7.315 1.942 1.00 0.57 N ATOM 2939 CA GLY B 95 11.452 -6.875 0.609 1.00 0.52 C ATOM 2940 C GLY B 95 10.047 -6.319 0.561 1.00 0.46 C ATOM 2941 O GLY B 95 9.076 -7.066 0.678 1.00 0.53 O ATOM 0 H GLY B 95 11.018 -7.458 2.569 1.00 0.57 H new ATOM 0 HA2 GLY B 95 12.156 -6.113 0.276 1.00 0.52 H new ATOM 0 HA3 GLY B 95 11.536 -7.711 -0.085 1.00 0.52 H new ATOM 2945 N LEU B 96 9.932 -5.008 0.399 1.00 0.41 N ATOM 2946 CA LEU B 96 8.631 -4.354 0.348 1.00 0.40 C ATOM 2947 C LEU B 96 8.644 -3.218 -0.671 1.00 0.37 C ATOM 2948 O LEU B 96 9.697 -2.889 -1.225 1.00 0.41 O ATOM 2949 CB LEU B 96 8.243 -3.824 1.734 1.00 0.44 C ATOM 2950 CG LEU B 96 7.884 -4.896 2.767 1.00 0.53 C ATOM 2951 CD1 LEU B 96 8.131 -4.387 4.179 1.00 0.58 C ATOM 2952 CD2 LEU B 96 6.437 -5.327 2.602 1.00 0.70 C ATOM 0 H LEU B 96 10.726 -4.375 0.300 1.00 0.41 H new ATOM 0 HA LEU B 96 7.888 -5.089 0.038 1.00 0.40 H new ATOM 0 HB2 LEU B 96 9.071 -3.231 2.123 1.00 0.44 H new ATOM 0 HB3 LEU B 96 7.393 -3.151 1.623 1.00 0.44 H new ATOM 0 HG LEU B 96 8.525 -5.762 2.600 1.00 0.53 H new ATOM 0 HD11 LEU B 96 7.869 -5.164 4.897 1.00 0.58 H new ATOM 0 HD12 LEU B 96 9.183 -4.127 4.293 1.00 0.58 H new ATOM 0 HD13 LEU B 96 7.517 -3.504 4.360 1.00 0.58 H new ATOM 0 HD21 LEU B 96 6.198 -6.089 3.343 1.00 0.70 H new ATOM 0 HD22 LEU B 96 5.783 -4.466 2.742 1.00 0.70 H new ATOM 0 HD23 LEU B 96 6.291 -5.735 1.602 1.00 0.70 H new ATOM 2964 N THR B 97 7.482 -2.626 -0.915 1.00 0.39 N ATOM 2965 CA THR B 97 7.361 -1.540 -1.877 1.00 0.39 C ATOM 2966 C THR B 97 7.114 -0.198 -1.190 1.00 0.37 C ATOM 2967 O THR B 97 6.221 -0.075 -0.352 1.00 0.46 O ATOM 2968 CB THR B 97 6.211 -1.813 -2.864 1.00 0.46 C ATOM 2969 OG1 THR B 97 5.370 -2.867 -2.370 1.00 0.83 O ATOM 2970 CG2 THR B 97 6.749 -2.198 -4.227 1.00 0.78 C ATOM 0 H THR B 97 6.607 -2.882 -0.457 1.00 0.39 H new ATOM 0 HA THR B 97 8.307 -1.489 -2.415 1.00 0.39 H new ATOM 0 HB THR B 97 5.628 -0.897 -2.960 1.00 0.46 H new ATOM 0 HG1 THR B 97 4.642 -3.030 -3.006 1.00 0.83 H new ATOM 0 HG21 THR B 97 5.918 -2.386 -4.907 1.00 0.78 H new ATOM 0 HG22 THR B 97 7.362 -1.386 -4.619 1.00 0.78 H new ATOM 0 HG23 THR B 97 7.355 -3.099 -4.138 1.00 0.78 H new ATOM 2978 N VAL B 98 7.916 0.797 -1.551 1.00 0.33 N ATOM 2979 CA VAL B 98 7.782 2.138 -0.995 1.00 0.31 C ATOM 2980 C VAL B 98 7.382 3.118 -2.093 1.00 0.30 C ATOM 2981 O VAL B 98 7.661 2.887 -3.269 1.00 0.36 O ATOM 2982 CB VAL B 98 9.086 2.621 -0.318 1.00 0.31 C ATOM 2983 CG1 VAL B 98 9.282 1.929 1.020 1.00 0.37 C ATOM 2984 CG2 VAL B 98 10.286 2.388 -1.223 1.00 0.34 C ATOM 0 H VAL B 98 8.670 0.699 -2.231 1.00 0.33 H new ATOM 0 HA VAL B 98 7.007 2.098 -0.230 1.00 0.31 H new ATOM 0 HB VAL B 98 8.999 3.693 -0.141 1.00 0.31 H new ATOM 0 HG11 VAL B 98 10.205 2.282 1.481 1.00 0.37 H new ATOM 0 HG12 VAL B 98 8.440 2.156 1.674 1.00 0.37 H new ATOM 0 HG13 VAL B 98 9.342 0.851 0.867 1.00 0.37 H new ATOM 0 HG21 VAL B 98 11.191 2.736 -0.724 1.00 0.34 H new ATOM 0 HG22 VAL B 98 10.377 1.324 -1.439 1.00 0.34 H new ATOM 0 HG23 VAL B 98 10.151 2.937 -2.155 1.00 0.34 H new ATOM 2994 N HIS B 99 6.718 4.202 -1.719 1.00 0.29 N ATOM 2995 CA HIS B 99 6.275 5.198 -2.689 1.00 0.31 C ATOM 2996 C HIS B 99 7.203 6.402 -2.707 1.00 0.30 C ATOM 2997 O HIS B 99 7.727 6.797 -1.672 1.00 0.47 O ATOM 2998 CB HIS B 99 4.858 5.668 -2.368 1.00 0.38 C ATOM 2999 CG HIS B 99 3.981 5.782 -3.569 1.00 0.47 C ATOM 3000 ND1 HIS B 99 3.049 4.830 -3.899 1.00 0.68 N ATOM 3001 CD2 HIS B 99 3.886 6.743 -4.518 1.00 0.71 C ATOM 3002 CE1 HIS B 99 2.421 5.191 -4.995 1.00 0.81 C ATOM 3003 NE2 HIS B 99 2.907 6.348 -5.393 1.00 0.81 N ATOM 0 H HIS B 99 6.473 4.416 -0.752 1.00 0.29 H new ATOM 0 HA HIS B 99 6.291 4.724 -3.670 1.00 0.31 H new ATOM 0 HB2 HIS B 99 4.405 4.972 -1.662 1.00 0.38 H new ATOM 0 HB3 HIS B 99 4.909 6.637 -1.872 1.00 0.38 H new ATOM 0 HD2 HIS B 99 4.471 7.649 -4.575 1.00 0.71 H new ATOM 0 HE1 HIS B 99 1.638 4.633 -5.487 1.00 0.81 H new ATOM 0 HE2 HIS B 99 2.605 6.866 -6.218 1.00 0.81 H new ATOM 3012 N LEU B 100 7.398 6.978 -3.882 1.00 0.31 N ATOM 3013 CA LEU B 100 8.248 8.146 -4.033 1.00 0.32 C ATOM 3014 C LEU B 100 7.403 9.407 -4.170 1.00 0.32 C ATOM 3015 O LEU B 100 6.662 9.566 -5.143 1.00 0.40 O ATOM 3016 CB LEU B 100 9.149 7.988 -5.258 1.00 0.37 C ATOM 3017 CG LEU B 100 10.307 8.980 -5.338 1.00 0.50 C ATOM 3018 CD1 LEU B 100 11.472 8.497 -4.490 1.00 0.85 C ATOM 3019 CD2 LEU B 100 10.737 9.185 -6.784 1.00 0.91 C ATOM 0 H LEU B 100 6.975 6.652 -4.751 1.00 0.31 H new ATOM 0 HA LEU B 100 8.870 8.237 -3.143 1.00 0.32 H new ATOM 0 HB2 LEU B 100 9.555 6.977 -5.264 1.00 0.37 H new ATOM 0 HB3 LEU B 100 8.539 8.091 -6.155 1.00 0.37 H new ATOM 0 HG LEU B 100 9.972 9.940 -4.947 1.00 0.50 H new ATOM 0 HD11 LEU B 100 12.291 9.213 -4.556 1.00 0.85 H new ATOM 0 HD12 LEU B 100 11.153 8.405 -3.452 1.00 0.85 H new ATOM 0 HD13 LEU B 100 11.809 7.526 -4.854 1.00 0.85 H new ATOM 0 HD21 LEU B 100 11.563 9.895 -6.821 1.00 0.91 H new ATOM 0 HD22 LEU B 100 11.058 8.233 -7.207 1.00 0.91 H new ATOM 0 HD23 LEU B 100 9.898 9.574 -7.361 1.00 0.91 H new ATOM 3031 N VAL B 101 7.493 10.285 -3.181 1.00 0.30 N ATOM 3032 CA VAL B 101 6.748 11.536 -3.204 1.00 0.32 C ATOM 3033 C VAL B 101 7.706 12.723 -3.147 1.00 0.33 C ATOM 3034 O VAL B 101 8.915 12.540 -2.981 1.00 0.38 O ATOM 3035 CB VAL B 101 5.741 11.638 -2.038 1.00 0.39 C ATOM 3036 CG1 VAL B 101 4.732 10.503 -2.089 1.00 0.50 C ATOM 3037 CG2 VAL B 101 6.456 11.659 -0.699 1.00 0.52 C ATOM 0 H VAL B 101 8.074 10.154 -2.353 1.00 0.30 H new ATOM 0 HA VAL B 101 6.186 11.554 -4.138 1.00 0.32 H new ATOM 0 HB VAL B 101 5.201 12.578 -2.148 1.00 0.39 H new ATOM 0 HG11 VAL B 101 4.035 10.599 -1.257 1.00 0.50 H new ATOM 0 HG12 VAL B 101 4.183 10.546 -3.030 1.00 0.50 H new ATOM 0 HG13 VAL B 101 5.254 9.549 -2.017 1.00 0.50 H new ATOM 0 HG21 VAL B 101 5.723 11.731 0.104 1.00 0.52 H new ATOM 0 HG22 VAL B 101 7.034 10.743 -0.581 1.00 0.52 H new ATOM 0 HG23 VAL B 101 7.125 12.518 -0.657 1.00 0.52 H new ATOM 3047 N ILE B 102 7.171 13.935 -3.268 1.00 0.36 N ATOM 3048 CA ILE B 102 8.005 15.133 -3.246 1.00 0.41 C ATOM 3049 C ILE B 102 7.393 16.226 -2.375 1.00 0.51 C ATOM 3050 O ILE B 102 7.308 17.389 -2.779 1.00 0.79 O ATOM 3051 CB ILE B 102 8.270 15.695 -4.665 1.00 0.52 C ATOM 3052 CG1 ILE B 102 6.992 15.680 -5.523 1.00 0.71 C ATOM 3053 CG2 ILE B 102 9.400 14.925 -5.338 1.00 0.76 C ATOM 3054 CD1 ILE B 102 6.801 14.425 -6.356 1.00 1.32 C ATOM 0 H ILE B 102 6.173 14.113 -3.381 1.00 0.36 H new ATOM 0 HA ILE B 102 8.959 14.825 -2.817 1.00 0.41 H new ATOM 0 HB ILE B 102 8.578 16.736 -4.567 1.00 0.52 H new ATOM 0 HG12 ILE B 102 6.129 15.799 -4.867 1.00 0.71 H new ATOM 0 HG13 ILE B 102 7.008 16.543 -6.189 1.00 0.71 H new ATOM 0 HG21 ILE B 102 9.574 15.332 -6.334 1.00 0.76 H new ATOM 0 HG22 ILE B 102 10.309 15.019 -4.744 1.00 0.76 H new ATOM 0 HG23 ILE B 102 9.126 13.873 -5.418 1.00 0.76 H new ATOM 0 HD11 ILE B 102 5.876 14.504 -6.927 1.00 1.32 H new ATOM 0 HD12 ILE B 102 7.641 14.312 -7.041 1.00 1.32 H new ATOM 0 HD13 ILE B 102 6.749 13.557 -5.699 1.00 1.32 H new ATOM 3066 N LYS B 103 6.973 15.844 -1.178 1.00 0.59 N ATOM 3067 CA LYS B 103 6.382 16.777 -0.231 1.00 0.76 C ATOM 3068 C LYS B 103 7.022 16.594 1.141 1.00 0.91 C ATOM 3069 O LYS B 103 6.540 15.735 1.915 1.00 1.07 O ATOM 3070 CB LYS B 103 4.863 16.585 -0.133 1.00 0.86 C ATOM 3071 CG LYS B 103 4.096 17.100 -1.340 1.00 1.00 C ATOM 3072 CD LYS B 103 2.600 17.118 -1.071 1.00 1.15 C ATOM 3073 CE LYS B 103 1.822 17.636 -2.269 1.00 1.32 C ATOM 3074 NZ LYS B 103 1.673 16.605 -3.333 1.00 1.74 N ATOM 3075 OXT LYS B 103 8.015 17.296 1.432 1.00 1.20 O ATOM 0 H LYS B 103 7.032 14.884 -0.837 1.00 0.59 H new ATOM 0 HA LYS B 103 6.570 17.790 -0.588 1.00 0.76 H new ATOM 0 HB2 LYS B 103 4.649 15.524 -0.005 1.00 0.86 H new ATOM 0 HB3 LYS B 103 4.500 17.094 0.760 1.00 0.86 H new ATOM 0 HG2 LYS B 103 4.436 18.105 -1.589 1.00 1.00 H new ATOM 0 HG3 LYS B 103 4.306 16.470 -2.204 1.00 1.00 H new ATOM 0 HD2 LYS B 103 2.262 16.111 -0.825 1.00 1.15 H new ATOM 0 HD3 LYS B 103 2.393 17.745 -0.204 1.00 1.15 H new ATOM 0 HE2 LYS B 103 0.835 17.965 -1.944 1.00 1.32 H new ATOM 0 HE3 LYS B 103 2.330 18.509 -2.680 1.00 1.32 H new ATOM 0 HZ1 LYS B 103 1.136 17.003 -4.130 1.00 1.74 H new ATOM 0 HZ2 LYS B 103 2.614 16.308 -3.663 1.00 1.74 H new ATOM 0 HZ3 LYS B 103 1.165 15.782 -2.950 1.00 1.74 H new TER 3089 LYS B 103