USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 854 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 94 LYS NZ :NH3+ 128:sc=-0.00626 (180deg=-0.0986) USER MOD Set 1.2: A 98 TYR OH : rot 30:sc= 0.00115 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 100:sc= 1.15 USER MOD Single : A 30 ASN : amide:sc= -0.239 K(o=-0.24,f=-5.6!) USER MOD Single : A 32 LYS NZ :NH3+ -167:sc= -0.0269 (180deg=-0.222) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 175:sc= 1.32 (180deg=1.3) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -158:sc= -0.0991 (180deg=-0.447) USER MOD Single : A 46 ASN : amide:sc= -0.571 X(o=-0.57,f=-0.45) USER MOD Single : A 51 THR OG1 : rot 49:sc= 0.0743 USER MOD Single : A 59 LYS NZ :NH3+ -177:sc= 1.3 (180deg=1.27) USER MOD Single : A 60 LYS NZ :NH3+ 178:sc= 1.09 (180deg=1.09) USER MOD Single : A 63 LYS NZ :NH3+ 167:sc= -0.0476 (180deg=-0.241) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 154:sc= 1.04! (180deg=0.9) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 153:sc= 2.52 (180deg=1.39) USER MOD Single : A 85 LYS NZ :NH3+ -172:sc= 1.23 (180deg=1.09) USER MOD Single : A 88 SER OG : rot 180:sc= -0.526 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.278 K(o=-0.28,f=-2.2!) USER MOD Single : A 97 LYS NZ :NH3+ 162:sc= -0.0801 (180deg=-0.385) USER MOD Single : A 107 THR OG1 : rot 148:sc= 1.28 USER MOD Single : A 109 THR OG1 : rot 23:sc= 1.27 USER MOD Single : A 110 SER OG : rot 180:sc= -0.0827 USER MOD Single : A 115 LYS NZ :NH3+ -160:sc= 1.22 (180deg=1.14) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot -95:sc= 1.29 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 21 -7.872 -12.917 4.319 1.00 0.86 N ATOM 2 CA MET A 21 -7.645 -11.544 3.810 1.00 0.65 C ATOM 3 C MET A 21 -6.438 -11.504 2.876 1.00 0.55 C ATOM 4 O MET A 21 -5.371 -12.022 3.204 1.00 0.75 O ATOM 5 CB MET A 21 -7.420 -10.577 4.979 1.00 0.73 C ATOM 6 CG MET A 21 -6.265 -10.977 5.884 1.00 1.04 C ATOM 7 SD MET A 21 -5.983 -9.817 7.233 1.00 1.93 S ATOM 8 CE MET A 21 -4.557 -10.575 8.010 1.00 2.17 C ATOM 0 HA MET A 21 -8.530 -11.239 3.252 1.00 0.65 H new ATOM 0 HB2 MET A 21 -7.232 -9.579 4.583 1.00 0.73 H new ATOM 0 HB3 MET A 21 -8.332 -10.518 5.572 1.00 0.73 H new ATOM 0 HG2 MET A 21 -6.463 -11.965 6.299 1.00 1.04 H new ATOM 0 HG3 MET A 21 -5.356 -11.058 5.288 1.00 1.04 H new ATOM 0 HE1 MET A 21 -4.251 -9.979 8.869 1.00 2.17 H new ATOM 0 HE2 MET A 21 -4.814 -11.581 8.340 1.00 2.17 H new ATOM 0 HE3 MET A 21 -3.737 -10.627 7.294 1.00 2.17 H new ATOM 17 N THR A 22 -6.617 -10.911 1.704 1.00 0.43 N ATOM 18 CA THR A 22 -5.506 -10.660 0.803 1.00 0.41 C ATOM 19 C THR A 22 -4.786 -9.387 1.232 1.00 0.35 C ATOM 20 O THR A 22 -5.429 -8.406 1.609 1.00 0.38 O ATOM 21 CB THR A 22 -5.984 -10.514 -0.659 1.00 0.52 C ATOM 22 OG1 THR A 22 -6.673 -11.700 -1.070 1.00 0.82 O ATOM 23 CG2 THR A 22 -4.816 -10.256 -1.603 1.00 0.63 C ATOM 0 H THR A 22 -7.523 -10.595 1.357 1.00 0.43 H new ATOM 0 HA THR A 22 -4.828 -11.512 0.853 1.00 0.41 H new ATOM 0 HB THR A 22 -6.659 -9.659 -0.704 1.00 0.52 H new ATOM 0 HG1 THR A 22 -6.974 -11.599 -1.997 1.00 0.82 H new ATOM 0 HG21 THR A 22 -5.187 -10.158 -2.623 1.00 0.63 H new ATOM 0 HG22 THR A 22 -4.309 -9.336 -1.312 1.00 0.63 H new ATOM 0 HG23 THR A 22 -4.115 -11.089 -1.550 1.00 0.63 H new ATOM 31 N LEU A 23 -3.463 -9.411 1.203 1.00 0.32 N ATOM 32 CA LEU A 23 -2.686 -8.253 1.598 1.00 0.29 C ATOM 33 C LEU A 23 -2.153 -7.525 0.370 1.00 0.26 C ATOM 34 O LEU A 23 -1.329 -8.057 -0.381 1.00 0.30 O ATOM 35 CB LEU A 23 -1.540 -8.676 2.519 1.00 0.30 C ATOM 36 CG LEU A 23 -1.964 -9.390 3.807 1.00 0.36 C ATOM 37 CD1 LEU A 23 -0.746 -9.776 4.630 1.00 0.39 C ATOM 38 CD2 LEU A 23 -2.902 -8.515 4.624 1.00 0.39 C ATOM 0 H LEU A 23 -2.909 -10.217 0.911 1.00 0.32 H new ATOM 0 HA LEU A 23 -3.332 -7.567 2.145 1.00 0.29 H new ATOM 0 HB2 LEU A 23 -0.872 -9.333 1.962 1.00 0.30 H new ATOM 0 HB3 LEU A 23 -0.965 -7.790 2.787 1.00 0.30 H new ATOM 0 HG LEU A 23 -2.497 -10.300 3.532 1.00 0.36 H new ATOM 0 HD11 LEU A 23 -1.067 -10.282 5.540 1.00 0.39 H new ATOM 0 HD12 LEU A 23 -0.111 -10.444 4.049 1.00 0.39 H new ATOM 0 HD13 LEU A 23 -0.185 -8.879 4.892 1.00 0.39 H new ATOM 0 HD21 LEU A 23 -3.190 -9.041 5.534 1.00 0.39 H new ATOM 0 HD22 LEU A 23 -2.396 -7.586 4.887 1.00 0.39 H new ATOM 0 HD23 LEU A 23 -3.793 -8.290 4.037 1.00 0.39 H new ATOM 50 N PHE A 24 -2.649 -6.317 0.159 1.00 0.25 N ATOM 51 CA PHE A 24 -2.232 -5.501 -0.972 1.00 0.25 C ATOM 52 C PHE A 24 -1.231 -4.457 -0.506 1.00 0.26 C ATOM 53 O PHE A 24 -1.270 -4.027 0.646 1.00 0.30 O ATOM 54 CB PHE A 24 -3.433 -4.795 -1.609 1.00 0.28 C ATOM 55 CG PHE A 24 -4.535 -5.714 -2.049 1.00 0.34 C ATOM 56 CD1 PHE A 24 -4.642 -6.106 -3.373 1.00 1.24 C ATOM 57 CD2 PHE A 24 -5.467 -6.185 -1.138 1.00 1.25 C ATOM 58 CE1 PHE A 24 -5.658 -6.947 -3.778 1.00 1.25 C ATOM 59 CE2 PHE A 24 -6.484 -7.026 -1.540 1.00 1.30 C ATOM 60 CZ PHE A 24 -6.578 -7.409 -2.862 1.00 0.51 C ATOM 0 H PHE A 24 -3.346 -5.876 0.760 1.00 0.25 H new ATOM 0 HA PHE A 24 -1.774 -6.154 -1.715 1.00 0.25 H new ATOM 0 HB2 PHE A 24 -3.838 -4.079 -0.894 1.00 0.28 H new ATOM 0 HB3 PHE A 24 -3.087 -4.224 -2.471 1.00 0.28 H new ATOM 0 HD1 PHE A 24 -3.923 -5.750 -4.096 1.00 1.24 H new ATOM 0 HD2 PHE A 24 -5.396 -5.890 -0.101 1.00 1.25 H new ATOM 0 HE1 PHE A 24 -5.732 -7.243 -4.814 1.00 1.25 H new ATOM 0 HE2 PHE A 24 -7.206 -7.384 -0.821 1.00 1.30 H new ATOM 0 HZ PHE A 24 -7.371 -8.070 -3.179 1.00 0.51 H new ATOM 70 N VAL A 25 -0.342 -4.047 -1.391 1.00 0.29 N ATOM 71 CA VAL A 25 0.610 -3.006 -1.061 1.00 0.31 C ATOM 72 C VAL A 25 0.823 -2.065 -2.244 1.00 0.30 C ATOM 73 O VAL A 25 1.256 -2.466 -3.325 1.00 0.35 O ATOM 74 CB VAL A 25 1.955 -3.588 -0.550 1.00 0.38 C ATOM 75 CG1 VAL A 25 2.507 -4.637 -1.498 1.00 1.08 C ATOM 76 CG2 VAL A 25 2.975 -2.478 -0.327 1.00 0.98 C ATOM 0 H VAL A 25 -0.260 -4.417 -2.338 1.00 0.29 H new ATOM 0 HA VAL A 25 0.185 -2.426 -0.242 1.00 0.31 H new ATOM 0 HB VAL A 25 1.758 -4.076 0.405 1.00 0.38 H new ATOM 0 HG11 VAL A 25 3.449 -5.021 -1.107 1.00 1.08 H new ATOM 0 HG12 VAL A 25 1.792 -5.455 -1.592 1.00 1.08 H new ATOM 0 HG13 VAL A 25 2.677 -4.189 -2.477 1.00 1.08 H new ATOM 0 HG21 VAL A 25 3.910 -2.909 0.031 1.00 0.98 H new ATOM 0 HG22 VAL A 25 3.153 -1.954 -1.266 1.00 0.98 H new ATOM 0 HG23 VAL A 25 2.592 -1.776 0.414 1.00 0.98 H new ATOM 86 N LEU A 26 0.460 -0.815 -2.028 1.00 0.34 N ATOM 87 CA LEU A 26 0.626 0.236 -3.012 1.00 0.35 C ATOM 88 C LEU A 26 1.812 1.095 -2.608 1.00 0.34 C ATOM 89 O LEU A 26 2.163 1.147 -1.429 1.00 0.36 O ATOM 90 CB LEU A 26 -0.638 1.105 -3.106 1.00 0.40 C ATOM 91 CG LEU A 26 -1.861 0.467 -3.789 1.00 0.44 C ATOM 92 CD1 LEU A 26 -2.363 -0.751 -3.038 1.00 1.18 C ATOM 93 CD2 LEU A 26 -2.979 1.482 -3.912 1.00 1.09 C ATOM 0 H LEU A 26 0.037 -0.498 -1.155 1.00 0.34 H new ATOM 0 HA LEU A 26 0.799 -0.213 -3.990 1.00 0.35 H new ATOM 0 HB2 LEU A 26 -0.926 1.399 -2.097 1.00 0.40 H new ATOM 0 HB3 LEU A 26 -0.385 2.019 -3.644 1.00 0.40 H new ATOM 0 HG LEU A 26 -1.544 0.142 -4.780 1.00 0.44 H new ATOM 0 HD11 LEU A 26 -3.226 -1.168 -3.556 1.00 1.18 H new ATOM 0 HD12 LEU A 26 -1.573 -1.500 -2.990 1.00 1.18 H new ATOM 0 HD13 LEU A 26 -2.651 -0.462 -2.027 1.00 1.18 H new ATOM 0 HD21 LEU A 26 -3.839 1.019 -4.397 1.00 1.09 H new ATOM 0 HD22 LEU A 26 -3.266 1.830 -2.919 1.00 1.09 H new ATOM 0 HD23 LEU A 26 -2.638 2.328 -4.509 1.00 1.09 H new ATOM 105 N ILE A 27 2.424 1.766 -3.563 1.00 0.34 N ATOM 106 CA ILE A 27 3.624 2.532 -3.276 1.00 0.32 C ATOM 107 C ILE A 27 3.718 3.784 -4.146 1.00 0.30 C ATOM 108 O ILE A 27 3.934 3.701 -5.355 1.00 0.36 O ATOM 109 CB ILE A 27 4.888 1.654 -3.462 1.00 0.33 C ATOM 110 CG1 ILE A 27 6.164 2.494 -3.337 1.00 0.33 C ATOM 111 CG2 ILE A 27 4.845 0.919 -4.798 1.00 0.35 C ATOM 112 CD1 ILE A 27 7.439 1.689 -3.484 1.00 0.55 C ATOM 0 H ILE A 27 2.116 1.798 -4.535 1.00 0.34 H new ATOM 0 HA ILE A 27 3.565 2.853 -2.236 1.00 0.32 H new ATOM 0 HB ILE A 27 4.901 0.908 -2.667 1.00 0.33 H new ATOM 0 HG12 ILE A 27 6.149 3.277 -4.096 1.00 0.33 H new ATOM 0 HG13 ILE A 27 6.168 2.991 -2.367 1.00 0.33 H new ATOM 0 HG21 ILE A 27 5.742 0.309 -4.907 1.00 0.35 H new ATOM 0 HG22 ILE A 27 3.964 0.278 -4.832 1.00 0.35 H new ATOM 0 HG23 ILE A 27 4.798 1.644 -5.611 1.00 0.35 H new ATOM 0 HD11 ILE A 27 8.300 2.350 -3.384 1.00 0.55 H new ATOM 0 HD12 ILE A 27 7.477 0.923 -2.709 1.00 0.55 H new ATOM 0 HD13 ILE A 27 7.458 1.214 -4.465 1.00 0.55 H new ATOM 124 N LEU A 28 3.545 4.947 -3.527 1.00 0.30 N ATOM 125 CA LEU A 28 3.735 6.203 -4.231 1.00 0.36 C ATOM 126 C LEU A 28 5.136 6.722 -3.968 1.00 0.38 C ATOM 127 O LEU A 28 5.363 7.551 -3.084 1.00 0.41 O ATOM 128 CB LEU A 28 2.702 7.234 -3.774 1.00 0.46 C ATOM 129 CG LEU A 28 1.583 7.522 -4.770 1.00 0.62 C ATOM 130 CD1 LEU A 28 0.877 6.240 -5.170 1.00 1.24 C ATOM 131 CD2 LEU A 28 0.594 8.517 -4.187 1.00 1.18 C ATOM 0 H LEU A 28 3.276 5.043 -2.548 1.00 0.30 H new ATOM 0 HA LEU A 28 3.604 6.034 -5.300 1.00 0.36 H new ATOM 0 HB2 LEU A 28 2.256 6.888 -2.842 1.00 0.46 H new ATOM 0 HB3 LEU A 28 3.219 8.168 -3.553 1.00 0.46 H new ATOM 0 HG LEU A 28 2.026 7.960 -5.664 1.00 0.62 H new ATOM 0 HD11 LEU A 28 0.083 6.469 -5.881 1.00 1.24 H new ATOM 0 HD12 LEU A 28 1.592 5.560 -5.632 1.00 1.24 H new ATOM 0 HD13 LEU A 28 0.448 5.770 -4.285 1.00 1.24 H new ATOM 0 HD21 LEU A 28 -0.197 8.711 -4.911 1.00 1.18 H new ATOM 0 HD22 LEU A 28 0.159 8.106 -3.276 1.00 1.18 H new ATOM 0 HD23 LEU A 28 1.109 9.449 -3.955 1.00 1.18 H new ATOM 143 N SER A 29 6.068 6.193 -4.731 1.00 0.44 N ATOM 144 CA SER A 29 7.444 6.632 -4.701 1.00 0.56 C ATOM 145 C SER A 29 8.040 6.483 -6.089 1.00 0.68 C ATOM 146 O SER A 29 7.696 5.536 -6.804 1.00 1.05 O ATOM 147 CB SER A 29 8.240 5.803 -3.685 1.00 0.61 C ATOM 148 OG SER A 29 9.604 6.183 -3.659 1.00 1.27 O ATOM 0 H SER A 29 5.889 5.440 -5.395 1.00 0.44 H new ATOM 0 HA SER A 29 7.489 7.678 -4.398 1.00 0.56 H new ATOM 0 HB2 SER A 29 7.807 5.929 -2.693 1.00 0.61 H new ATOM 0 HB3 SER A 29 8.161 4.745 -3.935 1.00 0.61 H new ATOM 0 HG SER A 29 9.764 6.776 -2.895 1.00 1.27 H new ATOM 154 N ASN A 30 8.904 7.395 -6.498 1.00 0.60 N ATOM 155 CA ASN A 30 9.731 7.111 -7.652 1.00 0.67 C ATOM 156 C ASN A 30 11.194 7.126 -7.237 1.00 0.64 C ATOM 157 O ASN A 30 11.906 8.127 -7.354 1.00 0.68 O ATOM 158 CB ASN A 30 9.464 8.121 -8.785 1.00 0.79 C ATOM 159 CG ASN A 30 9.673 9.577 -8.379 1.00 1.85 C ATOM 160 OD1 ASN A 30 9.467 9.963 -7.226 1.00 2.75 O ATOM 161 ND2 ASN A 30 10.080 10.399 -9.329 1.00 2.45 N ATOM 0 H ASN A 30 9.048 8.307 -6.065 1.00 0.60 H new ATOM 0 HA ASN A 30 9.481 6.122 -8.036 1.00 0.67 H new ATOM 0 HB2 ASN A 30 10.119 7.891 -9.625 1.00 0.79 H new ATOM 0 HB3 ASN A 30 8.440 7.996 -9.136 1.00 0.79 H new ATOM 0 HD21 ASN A 30 10.233 11.385 -9.119 1.00 2.45 H new ATOM 0 HD22 ASN A 30 10.241 10.048 -10.273 1.00 2.45 H new ATOM 168 N ASP A 31 11.621 5.986 -6.730 1.00 0.63 N ATOM 169 CA ASP A 31 13.018 5.694 -6.471 1.00 0.67 C ATOM 170 C ASP A 31 13.390 4.442 -7.253 1.00 0.72 C ATOM 171 O ASP A 31 12.504 3.705 -7.676 1.00 0.81 O ATOM 172 CB ASP A 31 13.248 5.507 -4.972 1.00 0.72 C ATOM 173 CG ASP A 31 14.713 5.488 -4.591 1.00 0.92 C ATOM 174 OD1 ASP A 31 15.296 6.568 -4.370 1.00 1.45 O ATOM 175 OD2 ASP A 31 15.289 4.393 -4.497 1.00 1.57 O ATOM 0 H ASP A 31 10.994 5.221 -6.481 1.00 0.63 H new ATOM 0 HA ASP A 31 13.650 6.522 -6.792 1.00 0.67 H new ATOM 0 HB2 ASP A 31 12.749 6.311 -4.431 1.00 0.72 H new ATOM 0 HB3 ASP A 31 12.784 4.573 -4.654 1.00 0.72 H new ATOM 180 N LYS A 32 14.664 4.174 -7.446 1.00 0.78 N ATOM 181 CA LYS A 32 15.059 2.927 -8.086 1.00 0.82 C ATOM 182 C LYS A 32 15.272 1.827 -7.048 1.00 0.79 C ATOM 183 O LYS A 32 14.972 0.661 -7.298 1.00 0.81 O ATOM 184 CB LYS A 32 16.320 3.119 -8.930 1.00 0.99 C ATOM 185 CG LYS A 32 16.134 4.076 -10.097 1.00 1.10 C ATOM 186 CD LYS A 32 15.014 3.620 -11.022 1.00 1.61 C ATOM 187 CE LYS A 32 14.831 4.570 -12.194 1.00 2.22 C ATOM 188 NZ LYS A 32 14.485 5.945 -11.752 1.00 2.93 N ATOM 0 H LYS A 32 15.434 4.786 -7.177 1.00 0.78 H new ATOM 0 HA LYS A 32 14.250 2.621 -8.749 1.00 0.82 H new ATOM 0 HB2 LYS A 32 17.121 3.490 -8.291 1.00 0.99 H new ATOM 0 HB3 LYS A 32 16.641 2.150 -9.313 1.00 0.99 H new ATOM 0 HG2 LYS A 32 15.911 5.073 -9.718 1.00 1.10 H new ATOM 0 HG3 LYS A 32 17.064 4.150 -10.660 1.00 1.10 H new ATOM 0 HD2 LYS A 32 15.235 2.620 -11.395 1.00 1.61 H new ATOM 0 HD3 LYS A 32 14.083 3.552 -10.460 1.00 1.61 H new ATOM 0 HE2 LYS A 32 15.748 4.599 -12.783 1.00 2.22 H new ATOM 0 HE3 LYS A 32 14.045 4.191 -12.847 1.00 2.22 H new ATOM 0 HZ1 LYS A 32 14.156 6.500 -12.568 1.00 2.93 H new ATOM 0 HZ2 LYS A 32 13.731 5.900 -11.037 1.00 2.93 H new ATOM 0 HZ3 LYS A 32 15.325 6.399 -11.341 1.00 2.93 H new ATOM 202 N LYS A 33 15.759 2.202 -5.877 1.00 0.84 N ATOM 203 CA LYS A 33 16.070 1.232 -4.836 1.00 0.86 C ATOM 204 C LYS A 33 14.868 0.994 -3.932 1.00 0.74 C ATOM 205 O LYS A 33 14.568 -0.146 -3.584 1.00 0.70 O ATOM 206 CB LYS A 33 17.265 1.696 -4.000 1.00 1.02 C ATOM 207 CG LYS A 33 18.548 1.860 -4.799 1.00 1.56 C ATOM 208 CD LYS A 33 18.916 0.579 -5.527 1.00 2.24 C ATOM 209 CE LYS A 33 20.277 0.686 -6.190 1.00 2.94 C ATOM 210 NZ LYS A 33 20.592 -0.511 -7.017 1.00 3.44 N ATOM 0 H LYS A 33 15.948 3.171 -5.622 1.00 0.84 H new ATOM 0 HA LYS A 33 16.326 0.293 -5.327 1.00 0.86 H new ATOM 0 HB2 LYS A 33 17.018 2.647 -3.528 1.00 1.02 H new ATOM 0 HB3 LYS A 33 17.437 0.977 -3.199 1.00 1.02 H new ATOM 0 HG2 LYS A 33 18.428 2.668 -5.520 1.00 1.56 H new ATOM 0 HG3 LYS A 33 19.360 2.147 -4.131 1.00 1.56 H new ATOM 0 HD2 LYS A 33 18.918 -0.253 -4.823 1.00 2.24 H new ATOM 0 HD3 LYS A 33 18.160 0.357 -6.280 1.00 2.24 H new ATOM 0 HE2 LYS A 33 20.305 1.577 -6.817 1.00 2.94 H new ATOM 0 HE3 LYS A 33 21.044 0.810 -5.425 1.00 2.94 H new ATOM 0 HZ1 LYS A 33 21.530 -0.396 -7.451 1.00 3.44 H new ATOM 0 HZ2 LYS A 33 20.591 -1.359 -6.415 1.00 3.44 H new ATOM 0 HZ3 LYS A 33 19.876 -0.616 -7.764 1.00 3.44 H new ATOM 224 N LEU A 34 14.185 2.074 -3.562 1.00 0.72 N ATOM 225 CA LEU A 34 13.022 2.000 -2.675 1.00 0.64 C ATOM 226 C LEU A 34 11.969 1.061 -3.262 1.00 0.58 C ATOM 227 O LEU A 34 11.399 0.231 -2.552 1.00 0.62 O ATOM 228 CB LEU A 34 12.445 3.410 -2.457 1.00 0.63 C ATOM 229 CG LEU A 34 11.524 3.600 -1.243 1.00 0.69 C ATOM 230 CD1 LEU A 34 11.469 5.069 -0.852 1.00 1.37 C ATOM 231 CD2 LEU A 34 10.121 3.099 -1.535 1.00 1.46 C ATOM 0 H LEU A 34 14.418 3.020 -3.865 1.00 0.72 H new ATOM 0 HA LEU A 34 13.329 1.599 -1.709 1.00 0.64 H new ATOM 0 HB2 LEU A 34 13.278 4.107 -2.364 1.00 0.63 H new ATOM 0 HB3 LEU A 34 11.890 3.692 -3.352 1.00 0.63 H new ATOM 0 HG LEU A 34 11.934 3.018 -0.418 1.00 0.69 H new ATOM 0 HD11 LEU A 34 10.813 5.192 0.010 1.00 1.37 H new ATOM 0 HD12 LEU A 34 12.471 5.416 -0.598 1.00 1.37 H new ATOM 0 HD13 LEU A 34 11.084 5.654 -1.687 1.00 1.37 H new ATOM 0 HD21 LEU A 34 9.492 3.247 -0.657 1.00 1.46 H new ATOM 0 HD22 LEU A 34 9.705 3.652 -2.377 1.00 1.46 H new ATOM 0 HD23 LEU A 34 10.157 2.038 -1.781 1.00 1.46 H new ATOM 243 N ILE A 35 11.735 1.190 -4.565 1.00 0.54 N ATOM 244 CA ILE A 35 10.802 0.322 -5.275 1.00 0.52 C ATOM 245 C ILE A 35 11.236 -1.140 -5.185 1.00 0.55 C ATOM 246 O ILE A 35 10.437 -2.018 -4.849 1.00 0.58 O ATOM 247 CB ILE A 35 10.680 0.736 -6.761 1.00 0.56 C ATOM 248 CG1 ILE A 35 9.893 2.043 -6.887 1.00 0.57 C ATOM 249 CG2 ILE A 35 10.032 -0.362 -7.594 1.00 0.61 C ATOM 250 CD1 ILE A 35 9.704 2.498 -8.318 1.00 0.69 C ATOM 0 H ILE A 35 12.182 1.893 -5.154 1.00 0.54 H new ATOM 0 HA ILE A 35 9.828 0.431 -4.797 1.00 0.52 H new ATOM 0 HB ILE A 35 11.687 0.894 -7.148 1.00 0.56 H new ATOM 0 HG12 ILE A 35 8.915 1.915 -6.422 1.00 0.57 H new ATOM 0 HG13 ILE A 35 10.411 2.825 -6.331 1.00 0.57 H new ATOM 0 HG21 ILE A 35 9.962 -0.038 -8.632 1.00 0.61 H new ATOM 0 HG22 ILE A 35 10.637 -1.267 -7.537 1.00 0.61 H new ATOM 0 HG23 ILE A 35 9.033 -0.568 -7.210 1.00 0.61 H new ATOM 0 HD11 ILE A 35 9.138 3.430 -8.332 1.00 0.69 H new ATOM 0 HD12 ILE A 35 10.678 2.658 -8.781 1.00 0.69 H new ATOM 0 HD13 ILE A 35 9.159 1.735 -8.874 1.00 0.69 H new ATOM 262 N GLU A 36 12.509 -1.392 -5.469 1.00 0.59 N ATOM 263 CA GLU A 36 13.030 -2.750 -5.472 1.00 0.66 C ATOM 264 C GLU A 36 13.010 -3.365 -4.076 1.00 0.62 C ATOM 265 O GLU A 36 12.584 -4.506 -3.910 1.00 0.62 O ATOM 266 CB GLU A 36 14.442 -2.773 -6.043 1.00 0.79 C ATOM 267 CG GLU A 36 14.503 -2.324 -7.489 1.00 0.76 C ATOM 268 CD GLU A 36 13.666 -3.189 -8.407 1.00 1.34 C ATOM 269 OE1 GLU A 36 14.157 -4.254 -8.838 1.00 2.15 O ATOM 270 OE2 GLU A 36 12.518 -2.809 -8.709 1.00 1.87 O ATOM 0 H GLU A 36 13.196 -0.674 -5.699 1.00 0.59 H new ATOM 0 HA GLU A 36 12.380 -3.353 -6.106 1.00 0.66 H new ATOM 0 HB2 GLU A 36 15.082 -2.128 -5.441 1.00 0.79 H new ATOM 0 HB3 GLU A 36 14.843 -3.783 -5.965 1.00 0.79 H new ATOM 0 HG2 GLU A 36 14.161 -1.291 -7.559 1.00 0.76 H new ATOM 0 HG3 GLU A 36 15.539 -2.340 -7.827 1.00 0.76 H new ATOM 277 N GLU A 37 13.456 -2.608 -3.076 1.00 0.62 N ATOM 278 CA GLU A 37 13.472 -3.092 -1.697 1.00 0.65 C ATOM 279 C GLU A 37 12.070 -3.480 -1.247 1.00 0.56 C ATOM 280 O GLU A 37 11.884 -4.466 -0.530 1.00 0.57 O ATOM 281 CB GLU A 37 14.045 -2.034 -0.748 1.00 0.73 C ATOM 282 CG GLU A 37 15.523 -1.750 -0.959 1.00 0.85 C ATOM 283 CD GLU A 37 16.383 -2.992 -0.833 1.00 1.30 C ATOM 284 OE1 GLU A 37 16.433 -3.581 0.265 1.00 2.05 O ATOM 285 OE2 GLU A 37 17.022 -3.377 -1.834 1.00 1.84 O ATOM 0 H GLU A 37 13.810 -1.659 -3.194 1.00 0.62 H new ATOM 0 HA GLU A 37 14.113 -3.973 -1.664 1.00 0.65 H new ATOM 0 HB2 GLU A 37 13.486 -1.107 -0.874 1.00 0.73 H new ATOM 0 HB3 GLU A 37 13.892 -2.362 0.280 1.00 0.73 H new ATOM 0 HG2 GLU A 37 15.667 -1.313 -1.947 1.00 0.85 H new ATOM 0 HG3 GLU A 37 15.854 -1.009 -0.231 1.00 0.85 H new ATOM 292 N ALA A 38 11.086 -2.702 -1.679 1.00 0.51 N ATOM 293 CA ALA A 38 9.697 -2.992 -1.372 1.00 0.46 C ATOM 294 C ALA A 38 9.272 -4.309 -2.012 1.00 0.42 C ATOM 295 O ALA A 38 8.717 -5.185 -1.347 1.00 0.43 O ATOM 296 CB ALA A 38 8.801 -1.855 -1.844 1.00 0.50 C ATOM 0 H ALA A 38 11.227 -1.865 -2.244 1.00 0.51 H new ATOM 0 HA ALA A 38 9.594 -3.087 -0.291 1.00 0.46 H new ATOM 0 HB1 ALA A 38 7.763 -2.087 -1.607 1.00 0.50 H new ATOM 0 HB2 ALA A 38 9.090 -0.932 -1.342 1.00 0.50 H new ATOM 0 HB3 ALA A 38 8.908 -1.731 -2.922 1.00 0.50 H new ATOM 302 N ARG A 39 9.558 -4.458 -3.298 1.00 0.43 N ATOM 303 CA ARG A 39 9.153 -5.652 -4.027 1.00 0.45 C ATOM 304 C ARG A 39 9.880 -6.891 -3.522 1.00 0.45 C ATOM 305 O ARG A 39 9.286 -7.959 -3.447 1.00 0.49 O ATOM 306 CB ARG A 39 9.378 -5.480 -5.525 1.00 0.53 C ATOM 307 CG ARG A 39 8.997 -6.707 -6.341 1.00 0.60 C ATOM 308 CD ARG A 39 8.951 -6.373 -7.820 1.00 0.77 C ATOM 309 NE ARG A 39 8.670 -7.542 -8.644 1.00 1.46 N ATOM 310 CZ ARG A 39 8.608 -7.519 -9.971 1.00 1.90 C ATOM 311 NH1 ARG A 39 8.832 -6.391 -10.636 1.00 1.82 N ATOM 312 NH2 ARG A 39 8.333 -8.633 -10.630 1.00 2.96 N ATOM 0 H ARG A 39 10.066 -3.771 -3.856 1.00 0.43 H new ATOM 0 HA ARG A 39 8.087 -5.792 -3.849 1.00 0.45 H new ATOM 0 HB2 ARG A 39 8.799 -4.626 -5.876 1.00 0.53 H new ATOM 0 HB3 ARG A 39 10.428 -5.247 -5.702 1.00 0.53 H new ATOM 0 HG2 ARG A 39 9.718 -7.505 -6.165 1.00 0.60 H new ATOM 0 HG3 ARG A 39 8.025 -7.079 -6.016 1.00 0.60 H new ATOM 0 HD2 ARG A 39 8.187 -5.616 -7.995 1.00 0.77 H new ATOM 0 HD3 ARG A 39 9.904 -5.939 -8.122 1.00 0.77 H new ATOM 0 HE ARG A 39 8.511 -8.433 -8.173 1.00 1.46 H new ATOM 0 HH11 ARG A 39 9.053 -5.535 -10.128 1.00 1.82 H new ATOM 0 HH12 ARG A 39 8.783 -6.381 -11.655 1.00 1.82 H new ATOM 0 HH21 ARG A 39 8.170 -9.501 -10.119 1.00 2.96 H new ATOM 0 HH22 ARG A 39 8.284 -8.624 -11.649 1.00 2.96 H new ATOM 326 N LYS A 40 11.156 -6.750 -3.168 1.00 0.49 N ATOM 327 CA LYS A 40 11.923 -7.871 -2.617 1.00 0.55 C ATOM 328 C LYS A 40 11.154 -8.550 -1.490 1.00 0.49 C ATOM 329 O LYS A 40 11.014 -9.775 -1.465 1.00 0.54 O ATOM 330 CB LYS A 40 13.282 -7.399 -2.096 1.00 0.70 C ATOM 331 CG LYS A 40 14.244 -6.965 -3.187 1.00 0.85 C ATOM 332 CD LYS A 40 15.559 -6.485 -2.601 1.00 1.27 C ATOM 333 CE LYS A 40 16.530 -6.058 -3.686 1.00 1.34 C ATOM 334 NZ LYS A 40 17.815 -5.579 -3.117 1.00 1.88 N ATOM 0 H LYS A 40 11.679 -5.879 -3.251 1.00 0.49 H new ATOM 0 HA LYS A 40 12.083 -8.589 -3.422 1.00 0.55 H new ATOM 0 HB2 LYS A 40 13.127 -6.566 -1.410 1.00 0.70 H new ATOM 0 HB3 LYS A 40 13.739 -8.205 -1.522 1.00 0.70 H new ATOM 0 HG2 LYS A 40 14.428 -7.798 -3.866 1.00 0.85 H new ATOM 0 HG3 LYS A 40 13.793 -6.167 -3.777 1.00 0.85 H new ATOM 0 HD2 LYS A 40 15.374 -5.648 -1.927 1.00 1.27 H new ATOM 0 HD3 LYS A 40 16.005 -7.281 -2.005 1.00 1.27 H new ATOM 0 HE2 LYS A 40 16.719 -6.897 -4.356 1.00 1.34 H new ATOM 0 HE3 LYS A 40 16.080 -5.267 -4.286 1.00 1.34 H new ATOM 0 HZ1 LYS A 40 18.482 -5.376 -3.889 1.00 1.88 H new ATOM 0 HZ2 LYS A 40 17.649 -4.713 -2.566 1.00 1.88 H new ATOM 0 HZ3 LYS A 40 18.215 -6.312 -2.497 1.00 1.88 H new ATOM 348 N MET A 41 10.636 -7.745 -0.575 1.00 0.45 N ATOM 349 CA MET A 41 9.876 -8.264 0.553 1.00 0.46 C ATOM 350 C MET A 41 8.476 -8.676 0.125 1.00 0.41 C ATOM 351 O MET A 41 8.054 -9.802 0.376 1.00 0.46 O ATOM 352 CB MET A 41 9.779 -7.218 1.666 1.00 0.57 C ATOM 353 CG MET A 41 11.122 -6.786 2.224 1.00 0.89 C ATOM 354 SD MET A 41 12.061 -8.157 2.919 1.00 1.10 S ATOM 355 CE MET A 41 13.556 -7.315 3.424 1.00 1.68 C ATOM 0 H MET A 41 10.728 -6.729 -0.591 1.00 0.45 H new ATOM 0 HA MET A 41 10.403 -9.141 0.928 1.00 0.46 H new ATOM 0 HB2 MET A 41 9.257 -6.341 1.282 1.00 0.57 H new ATOM 0 HB3 MET A 41 9.172 -7.620 2.477 1.00 0.57 H new ATOM 0 HG2 MET A 41 11.705 -6.316 1.432 1.00 0.89 H new ATOM 0 HG3 MET A 41 10.965 -6.031 2.995 1.00 0.89 H new ATOM 0 HE1 MET A 41 14.242 -8.031 3.875 1.00 1.68 H new ATOM 0 HE2 MET A 41 14.028 -6.859 2.554 1.00 1.68 H new ATOM 0 HE3 MET A 41 13.310 -6.541 4.151 1.00 1.68 H new ATOM 365 N ALA A 42 7.771 -7.767 -0.536 1.00 0.37 N ATOM 366 CA ALA A 42 6.367 -7.974 -0.871 1.00 0.39 C ATOM 367 C ALA A 42 6.164 -9.129 -1.844 1.00 0.42 C ATOM 368 O ALA A 42 5.213 -9.891 -1.705 1.00 0.49 O ATOM 369 CB ALA A 42 5.771 -6.706 -1.442 1.00 0.43 C ATOM 0 H ALA A 42 8.150 -6.875 -0.852 1.00 0.37 H new ATOM 0 HA ALA A 42 5.854 -8.235 0.055 1.00 0.39 H new ATOM 0 HB1 ALA A 42 4.723 -6.875 -1.688 1.00 0.43 H new ATOM 0 HB2 ALA A 42 5.847 -5.905 -0.707 1.00 0.43 H new ATOM 0 HB3 ALA A 42 6.314 -6.423 -2.344 1.00 0.43 H new ATOM 375 N GLU A 43 7.050 -9.260 -2.824 1.00 0.45 N ATOM 376 CA GLU A 43 6.929 -10.326 -3.807 1.00 0.59 C ATOM 377 C GLU A 43 7.129 -11.679 -3.130 1.00 0.63 C ATOM 378 O GLU A 43 6.434 -12.652 -3.428 1.00 0.75 O ATOM 379 CB GLU A 43 7.935 -10.146 -4.941 1.00 0.71 C ATOM 380 CG GLU A 43 7.763 -11.156 -6.062 1.00 0.87 C ATOM 381 CD GLU A 43 8.626 -10.838 -7.260 1.00 1.66 C ATOM 382 OE1 GLU A 43 8.161 -10.091 -8.145 1.00 2.36 O ATOM 383 OE2 GLU A 43 9.772 -11.329 -7.321 1.00 2.41 O ATOM 0 H GLU A 43 7.853 -8.646 -2.958 1.00 0.45 H new ATOM 0 HA GLU A 43 5.929 -10.285 -4.238 1.00 0.59 H new ATOM 0 HB2 GLU A 43 7.836 -9.140 -5.349 1.00 0.71 H new ATOM 0 HB3 GLU A 43 8.945 -10.229 -4.538 1.00 0.71 H new ATOM 0 HG2 GLU A 43 8.011 -12.151 -5.692 1.00 0.87 H new ATOM 0 HG3 GLU A 43 6.717 -11.181 -6.367 1.00 0.87 H new ATOM 390 N LYS A 44 8.075 -11.721 -2.197 1.00 0.60 N ATOM 391 CA LYS A 44 8.333 -12.926 -1.421 1.00 0.70 C ATOM 392 C LYS A 44 7.172 -13.162 -0.456 1.00 0.66 C ATOM 393 O LYS A 44 6.792 -14.298 -0.179 1.00 0.75 O ATOM 394 CB LYS A 44 9.666 -12.788 -0.665 1.00 0.81 C ATOM 395 CG LYS A 44 10.218 -14.097 -0.109 1.00 1.39 C ATOM 396 CD LYS A 44 9.544 -14.498 1.193 1.00 2.35 C ATOM 397 CE LYS A 44 10.127 -13.765 2.387 1.00 3.19 C ATOM 398 NZ LYS A 44 11.547 -14.136 2.637 1.00 3.63 N ATOM 0 H LYS A 44 8.676 -10.932 -1.961 1.00 0.60 H new ATOM 0 HA LYS A 44 8.413 -13.786 -2.086 1.00 0.70 H new ATOM 0 HB2 LYS A 44 10.406 -12.353 -1.336 1.00 0.81 H new ATOM 0 HB3 LYS A 44 9.531 -12.087 0.158 1.00 0.81 H new ATOM 0 HG2 LYS A 44 10.081 -14.889 -0.846 1.00 1.39 H new ATOM 0 HG3 LYS A 44 11.291 -13.996 0.055 1.00 1.39 H new ATOM 0 HD2 LYS A 44 8.476 -14.290 1.127 1.00 2.35 H new ATOM 0 HD3 LYS A 44 9.651 -15.573 1.340 1.00 2.35 H new ATOM 0 HE2 LYS A 44 10.058 -12.690 2.220 1.00 3.19 H new ATOM 0 HE3 LYS A 44 9.533 -13.989 3.273 1.00 3.19 H new ATOM 0 HZ1 LYS A 44 11.791 -13.928 3.626 1.00 3.63 H new ATOM 0 HZ2 LYS A 44 11.678 -15.151 2.454 1.00 3.63 H new ATOM 0 HZ3 LYS A 44 12.165 -13.588 2.005 1.00 3.63 H new ATOM 412 N ALA A 45 6.588 -12.070 0.018 1.00 0.57 N ATOM 413 CA ALA A 45 5.459 -12.133 0.936 1.00 0.59 C ATOM 414 C ALA A 45 4.143 -12.293 0.177 1.00 0.59 C ATOM 415 O ALA A 45 3.069 -12.093 0.741 1.00 0.66 O ATOM 416 CB ALA A 45 5.426 -10.890 1.816 1.00 0.56 C ATOM 0 H ALA A 45 6.881 -11.122 -0.221 1.00 0.57 H new ATOM 0 HA ALA A 45 5.584 -13.008 1.573 1.00 0.59 H new ATOM 0 HB1 ALA A 45 4.578 -10.949 2.498 1.00 0.56 H new ATOM 0 HB2 ALA A 45 6.350 -10.827 2.391 1.00 0.56 H new ATOM 0 HB3 ALA A 45 5.327 -10.003 1.190 1.00 0.56 H new ATOM 422 N ASN A 46 4.257 -12.652 -1.109 1.00 0.56 N ATOM 423 CA ASN A 46 3.115 -12.860 -2.016 1.00 0.60 C ATOM 424 C ASN A 46 2.081 -11.740 -1.925 1.00 0.54 C ATOM 425 O ASN A 46 0.887 -11.956 -2.150 1.00 0.63 O ATOM 426 CB ASN A 46 2.448 -14.236 -1.811 1.00 0.76 C ATOM 427 CG ASN A 46 1.751 -14.406 -0.469 1.00 1.41 C ATOM 428 OD1 ASN A 46 0.582 -14.044 -0.308 1.00 2.03 O ATOM 429 ND2 ASN A 46 2.448 -14.993 0.492 1.00 2.18 N ATOM 0 H ASN A 46 5.159 -12.809 -1.558 1.00 0.56 H new ATOM 0 HA ASN A 46 3.531 -12.839 -3.023 1.00 0.60 H new ATOM 0 HB2 ASN A 46 1.720 -14.395 -2.607 1.00 0.76 H new ATOM 0 HB3 ASN A 46 3.207 -15.012 -1.913 1.00 0.76 H new ATOM 0 HD21 ASN A 46 2.021 -15.160 1.403 1.00 2.18 H new ATOM 0 HD22 ASN A 46 3.412 -15.278 0.321 1.00 2.18 H new ATOM 436 N LEU A 47 2.544 -10.539 -1.632 1.00 0.44 N ATOM 437 CA LEU A 47 1.663 -9.391 -1.562 1.00 0.42 C ATOM 438 C LEU A 47 1.375 -8.892 -2.961 1.00 0.41 C ATOM 439 O LEU A 47 2.164 -9.111 -3.884 1.00 0.58 O ATOM 440 CB LEU A 47 2.290 -8.257 -0.756 1.00 0.43 C ATOM 441 CG LEU A 47 2.766 -8.608 0.653 1.00 0.45 C ATOM 442 CD1 LEU A 47 3.222 -7.351 1.365 1.00 0.47 C ATOM 443 CD2 LEU A 47 1.670 -9.291 1.446 1.00 0.59 C ATOM 0 H LEU A 47 3.524 -10.334 -1.439 1.00 0.44 H new ATOM 0 HA LEU A 47 0.743 -9.703 -1.068 1.00 0.42 H new ATOM 0 HB2 LEU A 47 3.140 -7.868 -1.317 1.00 0.43 H new ATOM 0 HB3 LEU A 47 1.562 -7.449 -0.680 1.00 0.43 H new ATOM 0 HG LEU A 47 3.603 -9.302 0.572 1.00 0.45 H new ATOM 0 HD11 LEU A 47 3.561 -7.604 2.370 1.00 0.47 H new ATOM 0 HD12 LEU A 47 4.042 -6.895 0.810 1.00 0.47 H new ATOM 0 HD13 LEU A 47 2.392 -6.648 1.429 1.00 0.47 H new ATOM 0 HD21 LEU A 47 2.037 -9.529 2.444 1.00 0.59 H new ATOM 0 HD22 LEU A 47 0.810 -8.626 1.525 1.00 0.59 H new ATOM 0 HD23 LEU A 47 1.373 -10.210 0.940 1.00 0.59 H new ATOM 455 N ILE A 48 0.252 -8.226 -3.127 1.00 0.30 N ATOM 456 CA ILE A 48 -0.069 -7.642 -4.408 1.00 0.32 C ATOM 457 C ILE A 48 0.451 -6.214 -4.463 1.00 0.32 C ATOM 458 O ILE A 48 -0.212 -5.274 -4.018 1.00 0.33 O ATOM 459 CB ILE A 48 -1.582 -7.692 -4.706 1.00 0.36 C ATOM 460 CG1 ILE A 48 -2.070 -9.145 -4.644 1.00 0.40 C ATOM 461 CG2 ILE A 48 -1.880 -7.081 -6.072 1.00 0.43 C ATOM 462 CD1 ILE A 48 -3.527 -9.327 -5.014 1.00 0.53 C ATOM 0 H ILE A 48 -0.446 -8.077 -2.398 1.00 0.30 H new ATOM 0 HA ILE A 48 0.421 -8.233 -5.182 1.00 0.32 H new ATOM 0 HB ILE A 48 -2.113 -7.108 -3.954 1.00 0.36 H new ATOM 0 HG12 ILE A 48 -1.459 -9.751 -5.313 1.00 0.40 H new ATOM 0 HG13 ILE A 48 -1.913 -9.527 -3.635 1.00 0.40 H new ATOM 0 HG21 ILE A 48 -2.952 -7.125 -6.264 1.00 0.43 H new ATOM 0 HG22 ILE A 48 -1.552 -6.042 -6.085 1.00 0.43 H new ATOM 0 HG23 ILE A 48 -1.350 -7.639 -6.844 1.00 0.43 H new ATOM 0 HD11 ILE A 48 -3.791 -10.382 -4.945 1.00 0.53 H new ATOM 0 HD12 ILE A 48 -4.151 -8.751 -4.330 1.00 0.53 H new ATOM 0 HD13 ILE A 48 -3.690 -8.979 -6.034 1.00 0.53 H new ATOM 474 N LEU A 49 1.668 -6.076 -4.970 1.00 0.34 N ATOM 475 CA LEU A 49 2.321 -4.784 -5.074 1.00 0.35 C ATOM 476 C LEU A 49 1.896 -4.077 -6.348 1.00 0.35 C ATOM 477 O LEU A 49 2.148 -4.561 -7.453 1.00 0.44 O ATOM 478 CB LEU A 49 3.844 -4.954 -5.059 1.00 0.44 C ATOM 479 CG LEU A 49 4.648 -3.658 -5.206 1.00 0.58 C ATOM 480 CD1 LEU A 49 4.490 -2.780 -3.975 1.00 0.90 C ATOM 481 CD2 LEU A 49 6.113 -3.965 -5.458 1.00 1.14 C ATOM 0 H LEU A 49 2.227 -6.855 -5.319 1.00 0.34 H new ATOM 0 HA LEU A 49 2.023 -4.179 -4.218 1.00 0.35 H new ATOM 0 HB2 LEU A 49 4.130 -5.436 -4.124 1.00 0.44 H new ATOM 0 HB3 LEU A 49 4.126 -5.631 -5.866 1.00 0.44 H new ATOM 0 HG LEU A 49 4.257 -3.112 -6.065 1.00 0.58 H new ATOM 0 HD11 LEU A 49 5.070 -1.866 -4.103 1.00 0.90 H new ATOM 0 HD12 LEU A 49 3.438 -2.527 -3.841 1.00 0.90 H new ATOM 0 HD13 LEU A 49 4.848 -3.317 -3.097 1.00 0.90 H new ATOM 0 HD21 LEU A 49 6.668 -3.032 -5.560 1.00 1.14 H new ATOM 0 HD22 LEU A 49 6.514 -4.537 -4.621 1.00 1.14 H new ATOM 0 HD23 LEU A 49 6.210 -4.547 -6.375 1.00 1.14 H new ATOM 493 N ILE A 50 1.245 -2.941 -6.193 1.00 0.33 N ATOM 494 CA ILE A 50 0.820 -2.157 -7.337 1.00 0.34 C ATOM 495 C ILE A 50 1.630 -0.869 -7.406 1.00 0.32 C ATOM 496 O ILE A 50 1.382 0.082 -6.662 1.00 0.36 O ATOM 497 CB ILE A 50 -0.686 -1.828 -7.278 1.00 0.41 C ATOM 498 CG1 ILE A 50 -1.493 -3.079 -6.907 1.00 0.48 C ATOM 499 CG2 ILE A 50 -1.147 -1.284 -8.624 1.00 0.46 C ATOM 500 CD1 ILE A 50 -2.968 -2.814 -6.692 1.00 0.94 C ATOM 0 H ILE A 50 0.999 -2.540 -5.288 1.00 0.33 H new ATOM 0 HA ILE A 50 0.994 -2.752 -8.234 1.00 0.34 H new ATOM 0 HB ILE A 50 -0.852 -1.071 -6.511 1.00 0.41 H new ATOM 0 HG12 ILE A 50 -1.378 -3.821 -7.697 1.00 0.48 H new ATOM 0 HG13 ILE A 50 -1.075 -3.513 -5.999 1.00 0.48 H new ATOM 0 HG21 ILE A 50 -2.211 -1.053 -8.578 1.00 0.46 H new ATOM 0 HG22 ILE A 50 -0.589 -0.378 -8.861 1.00 0.46 H new ATOM 0 HG23 ILE A 50 -0.971 -2.031 -9.398 1.00 0.46 H new ATOM 0 HD11 ILE A 50 -3.471 -3.746 -6.433 1.00 0.94 H new ATOM 0 HD12 ILE A 50 -3.094 -2.096 -5.882 1.00 0.94 H new ATOM 0 HD13 ILE A 50 -3.402 -2.409 -7.606 1.00 0.94 H new ATOM 512 N THR A 51 2.618 -0.859 -8.285 1.00 0.32 N ATOM 513 CA THR A 51 3.509 0.276 -8.421 1.00 0.35 C ATOM 514 C THR A 51 2.873 1.388 -9.251 1.00 0.38 C ATOM 515 O THR A 51 2.832 1.321 -10.481 1.00 0.55 O ATOM 516 CB THR A 51 4.848 -0.151 -9.054 1.00 0.47 C ATOM 517 OG1 THR A 51 4.613 -1.045 -10.151 1.00 1.17 O ATOM 518 CG2 THR A 51 5.741 -0.829 -8.025 1.00 0.89 C ATOM 0 H THR A 51 2.822 -1.632 -8.919 1.00 0.32 H new ATOM 0 HA THR A 51 3.698 0.662 -7.419 1.00 0.35 H new ATOM 0 HB THR A 51 5.352 0.744 -9.418 1.00 0.47 H new ATOM 0 HG1 THR A 51 3.927 -0.667 -10.740 1.00 1.17 H new ATOM 0 HG21 THR A 51 6.680 -1.122 -8.495 1.00 0.89 H new ATOM 0 HG22 THR A 51 5.944 -0.137 -7.207 1.00 0.89 H new ATOM 0 HG23 THR A 51 5.239 -1.714 -7.635 1.00 0.89 H new ATOM 526 N VAL A 52 2.368 2.401 -8.563 1.00 0.39 N ATOM 527 CA VAL A 52 1.759 3.553 -9.208 1.00 0.49 C ATOM 528 C VAL A 52 2.415 4.831 -8.705 1.00 0.58 C ATOM 529 O VAL A 52 2.710 4.950 -7.518 1.00 0.80 O ATOM 530 CB VAL A 52 0.236 3.625 -8.932 1.00 0.59 C ATOM 531 CG1 VAL A 52 -0.513 2.534 -9.680 1.00 1.38 C ATOM 532 CG2 VAL A 52 -0.053 3.524 -7.440 1.00 1.04 C ATOM 0 H VAL A 52 2.369 2.447 -7.544 1.00 0.39 H new ATOM 0 HA VAL A 52 1.909 3.447 -10.282 1.00 0.49 H new ATOM 0 HB VAL A 52 -0.114 4.592 -9.292 1.00 0.59 H new ATOM 0 HG11 VAL A 52 -1.579 2.612 -9.465 1.00 1.38 H new ATOM 0 HG12 VAL A 52 -0.349 2.649 -10.751 1.00 1.38 H new ATOM 0 HG13 VAL A 52 -0.149 1.558 -9.360 1.00 1.38 H new ATOM 0 HG21 VAL A 52 -1.129 3.577 -7.273 1.00 1.04 H new ATOM 0 HG22 VAL A 52 0.327 2.576 -7.059 1.00 1.04 H new ATOM 0 HG23 VAL A 52 0.436 4.347 -6.918 1.00 1.04 H new ATOM 542 N GLY A 53 2.664 5.777 -9.593 1.00 0.66 N ATOM 543 CA GLY A 53 3.213 7.037 -9.148 1.00 0.75 C ATOM 544 C GLY A 53 2.368 8.206 -9.591 1.00 0.81 C ATOM 545 O GLY A 53 2.553 8.730 -10.690 1.00 1.24 O ATOM 0 H GLY A 53 2.500 5.699 -10.597 1.00 0.66 H new ATOM 0 HA2 GLY A 53 3.290 7.036 -8.061 1.00 0.75 H new ATOM 0 HA3 GLY A 53 4.224 7.151 -9.539 1.00 0.75 H new ATOM 549 N ASP A 54 1.469 8.613 -8.698 1.00 0.71 N ATOM 550 CA ASP A 54 0.571 9.753 -8.882 1.00 0.82 C ATOM 551 C ASP A 54 -0.608 9.572 -7.936 1.00 0.70 C ATOM 552 O ASP A 54 -1.000 8.440 -7.650 1.00 0.64 O ATOM 553 CB ASP A 54 0.040 9.852 -10.316 1.00 1.08 C ATOM 554 CG ASP A 54 -0.603 11.188 -10.598 1.00 1.34 C ATOM 555 OD1 ASP A 54 0.109 12.108 -11.046 1.00 1.75 O ATOM 556 OD2 ASP A 54 -1.823 11.328 -10.375 1.00 1.98 O ATOM 0 H ASP A 54 1.341 8.146 -7.800 1.00 0.71 H new ATOM 0 HA ASP A 54 1.127 10.667 -8.675 1.00 0.82 H new ATOM 0 HB2 ASP A 54 0.859 9.691 -11.016 1.00 1.08 H new ATOM 0 HB3 ASP A 54 -0.687 9.058 -10.488 1.00 1.08 H new ATOM 561 N GLU A 55 -1.178 10.670 -7.457 1.00 0.80 N ATOM 562 CA GLU A 55 -2.262 10.595 -6.488 1.00 0.79 C ATOM 563 C GLU A 55 -3.544 10.100 -7.148 1.00 0.69 C ATOM 564 O GLU A 55 -4.413 9.529 -6.488 1.00 0.71 O ATOM 565 CB GLU A 55 -2.497 11.956 -5.840 1.00 0.95 C ATOM 566 CG GLU A 55 -1.219 12.604 -5.326 1.00 0.90 C ATOM 567 CD GLU A 55 -1.471 13.640 -4.252 1.00 1.53 C ATOM 568 OE1 GLU A 55 -2.020 14.715 -4.566 1.00 2.16 O ATOM 569 OE2 GLU A 55 -1.120 13.380 -3.082 1.00 2.21 O ATOM 0 H GLU A 55 -0.909 11.618 -7.722 1.00 0.80 H new ATOM 0 HA GLU A 55 -1.974 9.884 -5.714 1.00 0.79 H new ATOM 0 HB2 GLU A 55 -2.967 12.620 -6.565 1.00 0.95 H new ATOM 0 HB3 GLU A 55 -3.197 11.841 -5.012 1.00 0.95 H new ATOM 0 HG2 GLU A 55 -0.560 11.831 -4.930 1.00 0.90 H new ATOM 0 HG3 GLU A 55 -0.695 13.073 -6.159 1.00 0.90 H new ATOM 576 N GLU A 56 -3.652 10.312 -8.451 1.00 0.70 N ATOM 577 CA GLU A 56 -4.804 9.844 -9.200 1.00 0.70 C ATOM 578 C GLU A 56 -4.627 8.376 -9.558 1.00 0.66 C ATOM 579 O GLU A 56 -5.582 7.603 -9.531 1.00 0.67 O ATOM 580 CB GLU A 56 -4.994 10.684 -10.460 1.00 0.82 C ATOM 581 CG GLU A 56 -5.208 12.161 -10.174 1.00 0.93 C ATOM 582 CD GLU A 56 -6.548 12.449 -9.530 1.00 1.33 C ATOM 583 OE1 GLU A 56 -7.520 12.730 -10.265 1.00 2.04 O ATOM 584 OE2 GLU A 56 -6.638 12.407 -8.287 1.00 1.89 O ATOM 0 H GLU A 56 -2.955 10.805 -9.010 1.00 0.70 H new ATOM 0 HA GLU A 56 -5.695 9.949 -8.582 1.00 0.70 H new ATOM 0 HB2 GLU A 56 -4.119 10.568 -11.100 1.00 0.82 H new ATOM 0 HB3 GLU A 56 -5.849 10.302 -11.017 1.00 0.82 H new ATOM 0 HG2 GLU A 56 -4.412 12.518 -9.520 1.00 0.93 H new ATOM 0 HG3 GLU A 56 -5.131 12.721 -11.106 1.00 0.93 H new ATOM 591 N GLU A 57 -3.394 7.989 -9.873 1.00 0.65 N ATOM 592 CA GLU A 57 -3.090 6.593 -10.172 1.00 0.65 C ATOM 593 C GLU A 57 -3.179 5.742 -8.912 1.00 0.55 C ATOM 594 O GLU A 57 -3.440 4.541 -8.984 1.00 0.52 O ATOM 595 CB GLU A 57 -1.715 6.450 -10.825 1.00 0.73 C ATOM 596 CG GLU A 57 -1.766 6.399 -12.347 1.00 1.11 C ATOM 597 CD GLU A 57 -2.606 7.504 -12.955 1.00 1.52 C ATOM 598 OE1 GLU A 57 -2.043 8.560 -13.311 1.00 2.13 O ATOM 599 OE2 GLU A 57 -3.835 7.316 -13.091 1.00 2.16 O ATOM 0 H GLU A 57 -2.593 8.618 -9.928 1.00 0.65 H new ATOM 0 HA GLU A 57 -3.834 6.235 -10.884 1.00 0.65 H new ATOM 0 HB2 GLU A 57 -1.087 7.287 -10.518 1.00 0.73 H new ATOM 0 HB3 GLU A 57 -1.239 5.542 -10.455 1.00 0.73 H new ATOM 0 HG2 GLU A 57 -0.752 6.465 -12.740 1.00 1.11 H new ATOM 0 HG3 GLU A 57 -2.167 5.434 -12.658 1.00 1.11 H new ATOM 606 N LEU A 58 -2.974 6.366 -7.757 1.00 0.52 N ATOM 607 CA LEU A 58 -3.213 5.694 -6.489 1.00 0.48 C ATOM 608 C LEU A 58 -4.665 5.244 -6.425 1.00 0.46 C ATOM 609 O LEU A 58 -4.960 4.118 -6.036 1.00 0.44 O ATOM 610 CB LEU A 58 -2.897 6.614 -5.302 1.00 0.52 C ATOM 611 CG LEU A 58 -3.112 5.982 -3.922 1.00 0.55 C ATOM 612 CD1 LEU A 58 -2.180 4.800 -3.718 1.00 0.83 C ATOM 613 CD2 LEU A 58 -2.909 7.007 -2.820 1.00 0.74 C ATOM 0 H LEU A 58 -2.646 7.328 -7.674 1.00 0.52 H new ATOM 0 HA LEU A 58 -2.553 4.829 -6.426 1.00 0.48 H new ATOM 0 HB2 LEU A 58 -1.860 6.939 -5.379 1.00 0.52 H new ATOM 0 HB3 LEU A 58 -3.518 7.507 -5.378 1.00 0.52 H new ATOM 0 HG LEU A 58 -4.140 5.624 -3.875 1.00 0.55 H new ATOM 0 HD11 LEU A 58 -2.351 4.368 -2.732 1.00 0.83 H new ATOM 0 HD12 LEU A 58 -2.374 4.048 -4.482 1.00 0.83 H new ATOM 0 HD13 LEU A 58 -1.146 5.135 -3.793 1.00 0.83 H new ATOM 0 HD21 LEU A 58 -3.067 6.535 -1.850 1.00 0.74 H new ATOM 0 HD22 LEU A 58 -1.894 7.400 -2.871 1.00 0.74 H new ATOM 0 HD23 LEU A 58 -3.621 7.823 -2.946 1.00 0.74 H new ATOM 625 N LYS A 59 -5.562 6.127 -6.855 1.00 0.52 N ATOM 626 CA LYS A 59 -6.996 5.842 -6.869 1.00 0.57 C ATOM 627 C LYS A 59 -7.331 4.674 -7.786 1.00 0.51 C ATOM 628 O LYS A 59 -8.358 4.013 -7.629 1.00 0.58 O ATOM 629 CB LYS A 59 -7.773 7.083 -7.303 1.00 0.69 C ATOM 630 CG LYS A 59 -7.618 8.260 -6.357 1.00 0.76 C ATOM 631 CD LYS A 59 -8.206 9.525 -6.955 1.00 0.97 C ATOM 632 CE LYS A 59 -8.162 10.683 -5.973 1.00 1.64 C ATOM 633 NZ LYS A 59 -8.663 11.938 -6.586 1.00 2.26 N ATOM 0 H LYS A 59 -5.319 7.055 -7.202 1.00 0.52 H new ATOM 0 HA LYS A 59 -7.287 5.564 -5.856 1.00 0.57 H new ATOM 0 HB2 LYS A 59 -7.440 7.381 -8.297 1.00 0.69 H new ATOM 0 HB3 LYS A 59 -8.830 6.830 -7.384 1.00 0.69 H new ATOM 0 HG2 LYS A 59 -8.112 8.038 -5.411 1.00 0.76 H new ATOM 0 HG3 LYS A 59 -6.562 8.416 -6.136 1.00 0.76 H new ATOM 0 HD2 LYS A 59 -7.655 9.791 -7.857 1.00 0.97 H new ATOM 0 HD3 LYS A 59 -9.238 9.341 -7.254 1.00 0.97 H new ATOM 0 HE2 LYS A 59 -8.763 10.440 -5.096 1.00 1.64 H new ATOM 0 HE3 LYS A 59 -7.139 10.829 -5.628 1.00 1.64 H new ATOM 0 HZ1 LYS A 59 -8.571 12.718 -5.904 1.00 2.26 H new ATOM 0 HZ2 LYS A 59 -8.106 12.155 -7.437 1.00 2.26 H new ATOM 0 HZ3 LYS A 59 -9.663 11.822 -6.847 1.00 2.26 H new ATOM 647 N LYS A 60 -6.453 4.418 -8.732 1.00 0.49 N ATOM 648 CA LYS A 60 -6.660 3.362 -9.705 1.00 0.48 C ATOM 649 C LYS A 60 -6.202 2.031 -9.132 1.00 0.41 C ATOM 650 O LYS A 60 -6.870 1.006 -9.292 1.00 0.41 O ATOM 651 CB LYS A 60 -5.891 3.703 -10.972 1.00 0.58 C ATOM 652 CG LYS A 60 -6.020 5.170 -11.330 1.00 0.72 C ATOM 653 CD LYS A 60 -7.378 5.497 -11.920 1.00 1.19 C ATOM 654 CE LYS A 60 -7.548 6.997 -12.106 1.00 1.91 C ATOM 655 NZ LYS A 60 -6.546 7.570 -13.047 1.00 2.35 N ATOM 0 H LYS A 60 -5.580 4.932 -8.850 1.00 0.49 H new ATOM 0 HA LYS A 60 -7.720 3.277 -9.945 1.00 0.48 H new ATOM 0 HB2 LYS A 60 -4.839 3.453 -10.837 1.00 0.58 H new ATOM 0 HB3 LYS A 60 -6.260 3.094 -11.797 1.00 0.58 H new ATOM 0 HG2 LYS A 60 -5.857 5.776 -10.438 1.00 0.72 H new ATOM 0 HG3 LYS A 60 -5.241 5.438 -12.044 1.00 0.72 H new ATOM 0 HD2 LYS A 60 -7.492 4.993 -12.880 1.00 1.19 H new ATOM 0 HD3 LYS A 60 -8.163 5.117 -11.266 1.00 1.19 H new ATOM 0 HE2 LYS A 60 -8.551 7.203 -12.479 1.00 1.91 H new ATOM 0 HE3 LYS A 60 -7.459 7.493 -11.139 1.00 1.91 H new ATOM 0 HZ1 LYS A 60 -6.724 8.588 -13.167 1.00 2.35 H new ATOM 0 HZ2 LYS A 60 -5.589 7.429 -12.664 1.00 2.35 H new ATOM 0 HZ3 LYS A 60 -6.624 7.094 -13.969 1.00 2.35 H new ATOM 669 N ALA A 61 -5.070 2.062 -8.440 1.00 0.40 N ATOM 670 CA ALA A 61 -4.553 0.886 -7.765 1.00 0.39 C ATOM 671 C ALA A 61 -5.465 0.510 -6.606 1.00 0.32 C ATOM 672 O ALA A 61 -5.741 -0.662 -6.369 1.00 0.34 O ATOM 673 CB ALA A 61 -3.143 1.151 -7.271 1.00 0.47 C ATOM 0 H ALA A 61 -4.492 2.896 -8.333 1.00 0.40 H new ATOM 0 HA ALA A 61 -4.523 0.053 -8.467 1.00 0.39 H new ATOM 0 HB1 ALA A 61 -2.762 0.264 -6.765 1.00 0.47 H new ATOM 0 HB2 ALA A 61 -2.500 1.391 -8.118 1.00 0.47 H new ATOM 0 HB3 ALA A 61 -3.153 1.989 -6.574 1.00 0.47 H new ATOM 679 N ILE A 62 -5.930 1.527 -5.896 1.00 0.31 N ATOM 680 CA ILE A 62 -6.873 1.341 -4.797 1.00 0.37 C ATOM 681 C ILE A 62 -8.154 0.662 -5.280 1.00 0.36 C ATOM 682 O ILE A 62 -8.633 -0.289 -4.660 1.00 0.38 O ATOM 683 CB ILE A 62 -7.215 2.693 -4.122 1.00 0.49 C ATOM 684 CG1 ILE A 62 -6.009 3.211 -3.338 1.00 0.45 C ATOM 685 CG2 ILE A 62 -8.424 2.563 -3.207 1.00 0.83 C ATOM 686 CD1 ILE A 62 -6.219 4.581 -2.734 1.00 0.53 C ATOM 0 H ILE A 62 -5.668 2.499 -6.062 1.00 0.31 H new ATOM 0 HA ILE A 62 -6.393 0.695 -4.061 1.00 0.37 H new ATOM 0 HB ILE A 62 -7.464 3.408 -4.906 1.00 0.49 H new ATOM 0 HG12 ILE A 62 -5.774 2.505 -2.542 1.00 0.45 H new ATOM 0 HG13 ILE A 62 -5.144 3.244 -4.000 1.00 0.45 H new ATOM 0 HG21 ILE A 62 -8.639 3.528 -2.748 1.00 0.83 H new ATOM 0 HG22 ILE A 62 -9.287 2.237 -3.788 1.00 0.83 H new ATOM 0 HG23 ILE A 62 -8.214 1.830 -2.428 1.00 0.83 H new ATOM 0 HD11 ILE A 62 -5.322 4.882 -2.193 1.00 0.53 H new ATOM 0 HD12 ILE A 62 -6.424 5.301 -3.527 1.00 0.53 H new ATOM 0 HD13 ILE A 62 -7.064 4.550 -2.046 1.00 0.53 H new ATOM 698 N LYS A 63 -8.690 1.138 -6.399 1.00 0.37 N ATOM 699 CA LYS A 63 -9.923 0.587 -6.949 1.00 0.40 C ATOM 700 C LYS A 63 -9.757 -0.884 -7.318 1.00 0.35 C ATOM 701 O LYS A 63 -10.602 -1.713 -6.983 1.00 0.40 O ATOM 702 CB LYS A 63 -10.373 1.386 -8.175 1.00 0.49 C ATOM 703 CG LYS A 63 -11.638 0.840 -8.820 1.00 0.59 C ATOM 704 CD LYS A 63 -12.095 1.702 -9.985 1.00 1.21 C ATOM 705 CE LYS A 63 -13.354 1.145 -10.631 1.00 1.94 C ATOM 706 NZ LYS A 63 -14.487 1.060 -9.669 1.00 2.76 N ATOM 0 H LYS A 63 -8.290 1.903 -6.942 1.00 0.37 H new ATOM 0 HA LYS A 63 -10.689 0.662 -6.177 1.00 0.40 H new ATOM 0 HB2 LYS A 63 -10.541 2.422 -7.882 1.00 0.49 H new ATOM 0 HB3 LYS A 63 -9.570 1.389 -8.912 1.00 0.49 H new ATOM 0 HG2 LYS A 63 -11.458 -0.177 -9.169 1.00 0.59 H new ATOM 0 HG3 LYS A 63 -12.432 0.786 -8.075 1.00 0.59 H new ATOM 0 HD2 LYS A 63 -12.283 2.717 -9.636 1.00 1.21 H new ATOM 0 HD3 LYS A 63 -11.300 1.762 -10.728 1.00 1.21 H new ATOM 0 HE2 LYS A 63 -13.640 1.777 -11.472 1.00 1.94 H new ATOM 0 HE3 LYS A 63 -13.146 0.154 -11.034 1.00 1.94 H new ATOM 0 HZ1 LYS A 63 -15.372 0.889 -10.189 1.00 2.76 H new ATOM 0 HZ2 LYS A 63 -14.320 0.278 -9.004 1.00 2.76 H new ATOM 0 HZ3 LYS A 63 -14.562 1.953 -9.142 1.00 2.76 H new ATOM 720 N LYS A 64 -8.662 -1.209 -7.997 1.00 0.34 N ATOM 721 CA LYS A 64 -8.433 -2.581 -8.432 1.00 0.39 C ATOM 722 C LYS A 64 -8.078 -3.476 -7.248 1.00 0.35 C ATOM 723 O LYS A 64 -8.338 -4.674 -7.274 1.00 0.40 O ATOM 724 CB LYS A 64 -7.346 -2.648 -9.511 1.00 0.51 C ATOM 725 CG LYS A 64 -5.966 -2.222 -9.042 1.00 1.05 C ATOM 726 CD LYS A 64 -4.944 -2.279 -10.170 1.00 1.04 C ATOM 727 CE LYS A 64 -5.325 -1.360 -11.321 1.00 1.59 C ATOM 728 NZ LYS A 64 -4.301 -1.362 -12.395 1.00 2.11 N ATOM 0 H LYS A 64 -7.928 -0.550 -8.255 1.00 0.34 H new ATOM 0 HA LYS A 64 -9.361 -2.949 -8.870 1.00 0.39 H new ATOM 0 HB2 LYS A 64 -7.289 -3.669 -9.888 1.00 0.51 H new ATOM 0 HB3 LYS A 64 -7.643 -2.016 -10.348 1.00 0.51 H new ATOM 0 HG2 LYS A 64 -6.014 -1.208 -8.645 1.00 1.05 H new ATOM 0 HG3 LYS A 64 -5.643 -2.869 -8.226 1.00 1.05 H new ATOM 0 HD2 LYS A 64 -3.963 -1.996 -9.787 1.00 1.04 H new ATOM 0 HD3 LYS A 64 -4.861 -3.303 -10.534 1.00 1.04 H new ATOM 0 HE2 LYS A 64 -6.284 -1.674 -11.734 1.00 1.59 H new ATOM 0 HE3 LYS A 64 -5.456 -0.345 -10.947 1.00 1.59 H new ATOM 0 HZ1 LYS A 64 -4.599 -0.723 -13.160 1.00 2.11 H new ATOM 0 HZ2 LYS A 64 -3.392 -1.038 -12.008 1.00 2.11 H new ATOM 0 HZ3 LYS A 64 -4.194 -2.326 -12.771 1.00 2.11 H new ATOM 742 N ALA A 65 -7.496 -2.890 -6.207 1.00 0.30 N ATOM 743 CA ALA A 65 -7.199 -3.630 -4.986 1.00 0.30 C ATOM 744 C ALA A 65 -8.493 -4.079 -4.319 1.00 0.33 C ATOM 745 O ALA A 65 -8.629 -5.231 -3.912 1.00 0.38 O ATOM 746 CB ALA A 65 -6.371 -2.782 -4.031 1.00 0.31 C ATOM 0 H ALA A 65 -7.221 -1.908 -6.184 1.00 0.30 H new ATOM 0 HA ALA A 65 -6.615 -4.513 -5.247 1.00 0.30 H new ATOM 0 HB1 ALA A 65 -6.161 -3.353 -3.127 1.00 0.31 H new ATOM 0 HB2 ALA A 65 -5.433 -2.504 -4.511 1.00 0.31 H new ATOM 0 HB3 ALA A 65 -6.926 -1.881 -3.770 1.00 0.31 H new ATOM 752 N ASP A 66 -9.445 -3.158 -4.237 1.00 0.35 N ATOM 753 CA ASP A 66 -10.774 -3.453 -3.707 1.00 0.41 C ATOM 754 C ASP A 66 -11.467 -4.510 -4.566 1.00 0.40 C ATOM 755 O ASP A 66 -12.148 -5.403 -4.055 1.00 0.47 O ATOM 756 CB ASP A 66 -11.601 -2.161 -3.659 1.00 0.48 C ATOM 757 CG ASP A 66 -13.061 -2.377 -3.316 1.00 0.55 C ATOM 758 OD1 ASP A 66 -13.427 -2.196 -2.143 1.00 1.11 O ATOM 759 OD2 ASP A 66 -13.863 -2.679 -4.222 1.00 1.36 O ATOM 0 H ASP A 66 -9.321 -2.190 -4.534 1.00 0.35 H new ATOM 0 HA ASP A 66 -10.681 -3.851 -2.697 1.00 0.41 H new ATOM 0 HB2 ASP A 66 -11.161 -1.487 -2.924 1.00 0.48 H new ATOM 0 HB3 ASP A 66 -11.535 -1.663 -4.627 1.00 0.48 H new ATOM 764 N ASP A 67 -11.259 -4.411 -5.875 1.00 0.36 N ATOM 765 CA ASP A 67 -11.844 -5.351 -6.827 1.00 0.38 C ATOM 766 C ASP A 67 -11.273 -6.754 -6.639 1.00 0.40 C ATOM 767 O ASP A 67 -12.023 -7.724 -6.510 1.00 0.48 O ATOM 768 CB ASP A 67 -11.590 -4.879 -8.260 1.00 0.42 C ATOM 769 CG ASP A 67 -12.324 -5.714 -9.293 1.00 0.95 C ATOM 770 OD1 ASP A 67 -11.796 -6.770 -9.704 1.00 1.66 O ATOM 771 OD2 ASP A 67 -13.429 -5.311 -9.711 1.00 1.68 O ATOM 0 H ASP A 67 -10.686 -3.684 -6.304 1.00 0.36 H new ATOM 0 HA ASP A 67 -12.918 -5.389 -6.643 1.00 0.38 H new ATOM 0 HB2 ASP A 67 -11.899 -3.838 -8.355 1.00 0.42 H new ATOM 0 HB3 ASP A 67 -10.520 -4.914 -8.465 1.00 0.42 H new ATOM 776 N ILE A 68 -9.944 -6.854 -6.608 1.00 0.37 N ATOM 777 CA ILE A 68 -9.270 -8.143 -6.464 1.00 0.41 C ATOM 778 C ILE A 68 -9.587 -8.767 -5.108 1.00 0.41 C ATOM 779 O ILE A 68 -9.698 -9.987 -4.980 1.00 0.47 O ATOM 780 CB ILE A 68 -7.736 -8.005 -6.617 1.00 0.43 C ATOM 781 CG1 ILE A 68 -7.378 -7.470 -8.007 1.00 0.46 C ATOM 782 CG2 ILE A 68 -7.044 -9.341 -6.373 1.00 0.48 C ATOM 783 CD1 ILE A 68 -5.898 -7.200 -8.190 1.00 0.51 C ATOM 0 H ILE A 68 -9.313 -6.056 -6.681 1.00 0.37 H new ATOM 0 HA ILE A 68 -9.641 -8.790 -7.259 1.00 0.41 H new ATOM 0 HB ILE A 68 -7.386 -7.294 -5.869 1.00 0.43 H new ATOM 0 HG12 ILE A 68 -7.703 -8.189 -8.759 1.00 0.46 H new ATOM 0 HG13 ILE A 68 -7.932 -6.549 -8.186 1.00 0.46 H new ATOM 0 HG21 ILE A 68 -5.967 -9.219 -6.486 1.00 0.48 H new ATOM 0 HG22 ILE A 68 -7.266 -9.687 -5.363 1.00 0.48 H new ATOM 0 HG23 ILE A 68 -7.404 -10.074 -7.095 1.00 0.48 H new ATOM 0 HD11 ILE A 68 -5.719 -6.824 -9.197 1.00 0.51 H new ATOM 0 HD12 ILE A 68 -5.571 -6.458 -7.462 1.00 0.51 H new ATOM 0 HD13 ILE A 68 -5.339 -8.124 -8.043 1.00 0.51 H new ATOM 795 N ALA A 69 -9.741 -7.920 -4.100 1.00 0.39 N ATOM 796 CA ALA A 69 -10.045 -8.381 -2.756 1.00 0.43 C ATOM 797 C ALA A 69 -11.402 -9.069 -2.702 1.00 0.47 C ATOM 798 O ALA A 69 -11.501 -10.253 -2.373 1.00 0.53 O ATOM 799 CB ALA A 69 -10.008 -7.216 -1.777 1.00 0.46 C ATOM 0 H ALA A 69 -9.660 -6.907 -4.190 1.00 0.39 H new ATOM 0 HA ALA A 69 -9.285 -9.109 -2.472 1.00 0.43 H new ATOM 0 HB1 ALA A 69 -10.238 -7.576 -0.774 1.00 0.46 H new ATOM 0 HB2 ALA A 69 -9.015 -6.767 -1.783 1.00 0.46 H new ATOM 0 HB3 ALA A 69 -10.745 -6.469 -2.072 1.00 0.46 H new ATOM 805 N LYS A 70 -12.443 -8.333 -3.055 1.00 0.52 N ATOM 806 CA LYS A 70 -13.807 -8.837 -2.959 1.00 0.65 C ATOM 807 C LYS A 70 -14.076 -9.979 -3.916 1.00 0.63 C ATOM 808 O LYS A 70 -15.107 -10.643 -3.800 1.00 0.72 O ATOM 809 CB LYS A 70 -14.803 -7.748 -3.270 1.00 0.87 C ATOM 810 CG LYS A 70 -14.895 -6.667 -2.212 1.00 1.09 C ATOM 811 CD LYS A 70 -15.611 -5.439 -2.743 1.00 1.14 C ATOM 812 CE LYS A 70 -15.658 -4.341 -1.700 1.00 1.14 C ATOM 813 NZ LYS A 70 -16.061 -3.036 -2.286 1.00 1.50 N ATOM 0 H LYS A 70 -12.371 -7.380 -3.412 1.00 0.52 H new ATOM 0 HA LYS A 70 -13.918 -9.192 -1.935 1.00 0.65 H new ATOM 0 HB2 LYS A 70 -14.535 -7.288 -4.221 1.00 0.87 H new ATOM 0 HB3 LYS A 70 -15.787 -8.198 -3.400 1.00 0.87 H new ATOM 0 HG2 LYS A 70 -15.425 -7.052 -1.340 1.00 1.09 H new ATOM 0 HG3 LYS A 70 -13.893 -6.392 -1.881 1.00 1.09 H new ATOM 0 HD2 LYS A 70 -15.102 -5.075 -3.636 1.00 1.14 H new ATOM 0 HD3 LYS A 70 -16.625 -5.706 -3.041 1.00 1.14 H new ATOM 0 HE2 LYS A 70 -16.360 -4.618 -0.913 1.00 1.14 H new ATOM 0 HE3 LYS A 70 -14.678 -4.242 -1.233 1.00 1.14 H new ATOM 0 HZ1 LYS A 70 -16.501 -2.446 -1.551 1.00 1.50 H new ATOM 0 HZ2 LYS A 70 -15.222 -2.551 -2.663 1.00 1.50 H new ATOM 0 HZ3 LYS A 70 -16.743 -3.196 -3.055 1.00 1.50 H new ATOM 827 N LYS A 71 -13.163 -10.185 -4.857 1.00 0.62 N ATOM 828 CA LYS A 71 -13.333 -11.178 -5.907 1.00 0.76 C ATOM 829 C LYS A 71 -13.859 -12.487 -5.332 1.00 0.83 C ATOM 830 O LYS A 71 -14.818 -13.058 -5.850 1.00 1.03 O ATOM 831 CB LYS A 71 -11.994 -11.399 -6.630 1.00 0.84 C ATOM 832 CG LYS A 71 -12.102 -12.062 -8.001 1.00 1.26 C ATOM 833 CD LYS A 71 -12.347 -13.561 -7.905 1.00 1.71 C ATOM 834 CE LYS A 71 -12.332 -14.211 -9.279 1.00 2.27 C ATOM 835 NZ LYS A 71 -12.528 -15.681 -9.203 1.00 2.71 N ATOM 0 H LYS A 71 -12.285 -9.668 -4.913 1.00 0.62 H new ATOM 0 HA LYS A 71 -14.067 -10.812 -6.625 1.00 0.76 H new ATOM 0 HB2 LYS A 71 -11.498 -10.435 -6.747 1.00 0.84 H new ATOM 0 HB3 LYS A 71 -11.353 -12.012 -5.996 1.00 0.84 H new ATOM 0 HG2 LYS A 71 -12.914 -11.599 -8.562 1.00 1.26 H new ATOM 0 HG3 LYS A 71 -11.185 -11.882 -8.561 1.00 1.26 H new ATOM 0 HD2 LYS A 71 -11.583 -14.017 -7.276 1.00 1.71 H new ATOM 0 HD3 LYS A 71 -13.308 -13.745 -7.424 1.00 1.71 H new ATOM 0 HE2 LYS A 71 -13.116 -13.772 -9.896 1.00 2.27 H new ATOM 0 HE3 LYS A 71 -11.383 -13.997 -9.771 1.00 2.27 H new ATOM 0 HZ1 LYS A 71 -12.511 -16.084 -10.162 1.00 2.71 H new ATOM 0 HZ2 LYS A 71 -11.765 -16.104 -8.636 1.00 2.71 H new ATOM 0 HZ3 LYS A 71 -13.445 -15.886 -8.758 1.00 2.71 H new ATOM 917 N ALA A 77 -10.267 -6.940 3.664 1.00 0.55 N ATOM 918 CA ALA A 77 -8.846 -7.151 3.426 1.00 0.44 C ATOM 919 C ALA A 77 -8.013 -6.060 4.076 1.00 0.37 C ATOM 920 O ALA A 77 -8.547 -5.160 4.721 1.00 0.42 O ATOM 921 CB ALA A 77 -8.571 -7.194 1.931 1.00 0.71 C ATOM 0 HA ALA A 77 -8.565 -8.104 3.873 1.00 0.44 H new ATOM 0 HB1 ALA A 77 -7.506 -7.352 1.761 1.00 0.71 H new ATOM 0 HB2 ALA A 77 -9.135 -8.011 1.481 1.00 0.71 H new ATOM 0 HB3 ALA A 77 -8.874 -6.250 1.478 1.00 0.71 H new ATOM 927 N LYS A 78 -6.706 -6.147 3.901 1.00 0.35 N ATOM 928 CA LYS A 78 -5.795 -5.145 4.425 1.00 0.37 C ATOM 929 C LYS A 78 -4.880 -4.651 3.318 1.00 0.33 C ATOM 930 O LYS A 78 -4.344 -5.445 2.539 1.00 0.37 O ATOM 931 CB LYS A 78 -4.972 -5.706 5.586 1.00 0.50 C ATOM 932 CG LYS A 78 -5.774 -5.936 6.855 1.00 0.63 C ATOM 933 CD LYS A 78 -4.898 -6.491 7.964 1.00 0.89 C ATOM 934 CE LYS A 78 -5.646 -6.574 9.284 1.00 1.04 C ATOM 935 NZ LYS A 78 -6.885 -7.394 9.181 1.00 1.67 N ATOM 0 H LYS A 78 -6.250 -6.907 3.396 1.00 0.35 H new ATOM 0 HA LYS A 78 -6.382 -4.308 4.803 1.00 0.37 H new ATOM 0 HB2 LYS A 78 -4.522 -6.649 5.277 1.00 0.50 H new ATOM 0 HB3 LYS A 78 -4.154 -5.019 5.804 1.00 0.50 H new ATOM 0 HG2 LYS A 78 -6.225 -4.998 7.179 1.00 0.63 H new ATOM 0 HG3 LYS A 78 -6.591 -6.629 6.652 1.00 0.63 H new ATOM 0 HD2 LYS A 78 -4.542 -7.483 7.685 1.00 0.89 H new ATOM 0 HD3 LYS A 78 -4.018 -5.859 8.084 1.00 0.89 H new ATOM 0 HE2 LYS A 78 -4.992 -7.002 10.043 1.00 1.04 H new ATOM 0 HE3 LYS A 78 -5.905 -5.569 9.616 1.00 1.04 H new ATOM 0 HZ1 LYS A 78 -7.109 -7.803 10.110 1.00 1.67 H new ATOM 0 HZ2 LYS A 78 -7.674 -6.793 8.869 1.00 1.67 H new ATOM 0 HZ3 LYS A 78 -6.739 -8.159 8.492 1.00 1.67 H new ATOM 949 N ILE A 79 -4.713 -3.344 3.242 1.00 0.29 N ATOM 950 CA ILE A 79 -3.913 -2.738 2.194 1.00 0.29 C ATOM 951 C ILE A 79 -2.873 -1.805 2.801 1.00 0.29 C ATOM 952 O ILE A 79 -3.171 -1.050 3.723 1.00 0.40 O ATOM 953 CB ILE A 79 -4.798 -1.944 1.200 1.00 0.31 C ATOM 954 CG1 ILE A 79 -5.902 -2.838 0.623 1.00 0.37 C ATOM 955 CG2 ILE A 79 -3.952 -1.351 0.078 1.00 0.35 C ATOM 956 CD1 ILE A 79 -6.846 -2.113 -0.317 1.00 0.49 C ATOM 0 H ILE A 79 -5.123 -2.678 3.897 1.00 0.29 H new ATOM 0 HA ILE A 79 -3.414 -3.540 1.650 1.00 0.29 H new ATOM 0 HB ILE A 79 -5.268 -1.125 1.745 1.00 0.31 H new ATOM 0 HG12 ILE A 79 -5.442 -3.670 0.091 1.00 0.37 H new ATOM 0 HG13 ILE A 79 -6.478 -3.264 1.444 1.00 0.37 H new ATOM 0 HG21 ILE A 79 -4.594 -0.798 -0.608 1.00 0.35 H new ATOM 0 HG22 ILE A 79 -3.207 -0.677 0.501 1.00 0.35 H new ATOM 0 HG23 ILE A 79 -3.450 -2.154 -0.462 1.00 0.35 H new ATOM 0 HD11 ILE A 79 -7.599 -2.810 -0.685 1.00 0.49 H new ATOM 0 HD12 ILE A 79 -7.335 -1.298 0.216 1.00 0.49 H new ATOM 0 HD13 ILE A 79 -6.283 -1.710 -1.159 1.00 0.49 H new ATOM 968 N LEU A 80 -1.653 -1.878 2.308 1.00 0.23 N ATOM 969 CA LEU A 80 -0.600 -0.975 2.743 1.00 0.28 C ATOM 970 C LEU A 80 -0.315 0.024 1.630 1.00 0.30 C ATOM 971 O LEU A 80 -0.029 -0.370 0.507 1.00 0.45 O ATOM 972 CB LEU A 80 0.678 -1.764 3.066 1.00 0.40 C ATOM 973 CG LEU A 80 1.576 -1.196 4.180 1.00 0.57 C ATOM 974 CD1 LEU A 80 2.911 -1.920 4.196 1.00 1.22 C ATOM 975 CD2 LEU A 80 1.793 0.301 4.025 1.00 1.40 C ATOM 0 H LEU A 80 -1.363 -2.555 1.603 1.00 0.23 H new ATOM 0 HA LEU A 80 -0.923 -0.450 3.642 1.00 0.28 H new ATOM 0 HB2 LEU A 80 0.391 -2.778 3.344 1.00 0.40 H new ATOM 0 HB3 LEU A 80 1.272 -1.839 2.155 1.00 0.40 H new ATOM 0 HG LEU A 80 1.065 -1.358 5.129 1.00 0.57 H new ATOM 0 HD11 LEU A 80 3.538 -1.510 4.988 1.00 1.22 H new ATOM 0 HD12 LEU A 80 2.747 -2.982 4.377 1.00 1.22 H new ATOM 0 HD13 LEU A 80 3.408 -1.788 3.235 1.00 1.22 H new ATOM 0 HD21 LEU A 80 2.432 0.661 4.831 1.00 1.40 H new ATOM 0 HD22 LEU A 80 2.271 0.502 3.066 1.00 1.40 H new ATOM 0 HD23 LEU A 80 0.832 0.814 4.066 1.00 1.40 H new ATOM 987 N ILE A 81 -0.418 1.309 1.923 1.00 0.27 N ATOM 988 CA ILE A 81 -0.025 2.323 0.959 1.00 0.27 C ATOM 989 C ILE A 81 1.236 3.023 1.442 1.00 0.27 C ATOM 990 O ILE A 81 1.202 3.778 2.411 1.00 0.33 O ATOM 991 CB ILE A 81 -1.129 3.380 0.709 1.00 0.29 C ATOM 992 CG1 ILE A 81 -2.405 2.723 0.174 1.00 0.28 C ATOM 993 CG2 ILE A 81 -0.635 4.425 -0.285 1.00 0.34 C ATOM 994 CD1 ILE A 81 -3.591 3.665 0.096 1.00 0.38 C ATOM 0 H ILE A 81 -0.766 1.672 2.810 1.00 0.27 H new ATOM 0 HA ILE A 81 0.153 1.810 0.014 1.00 0.27 H new ATOM 0 HB ILE A 81 -1.360 3.862 1.659 1.00 0.29 H new ATOM 0 HG12 ILE A 81 -2.206 2.320 -0.819 1.00 0.28 H new ATOM 0 HG13 ILE A 81 -2.664 1.879 0.814 1.00 0.28 H new ATOM 0 HG21 ILE A 81 -1.418 5.164 -0.455 1.00 0.34 H new ATOM 0 HG22 ILE A 81 0.250 4.919 0.116 1.00 0.34 H new ATOM 0 HG23 ILE A 81 -0.383 3.940 -1.228 1.00 0.34 H new ATOM 0 HD11 ILE A 81 -4.457 3.128 -0.292 1.00 0.38 H new ATOM 0 HD12 ILE A 81 -3.817 4.048 1.091 1.00 0.38 H new ATOM 0 HD13 ILE A 81 -3.352 4.496 -0.568 1.00 0.38 H new ATOM 1006 N LEU A 82 2.350 2.735 0.788 1.00 0.27 N ATOM 1007 CA LEU A 82 3.607 3.401 1.088 1.00 0.31 C ATOM 1008 C LEU A 82 3.768 4.611 0.188 1.00 0.34 C ATOM 1009 O LEU A 82 4.156 4.485 -0.967 1.00 0.59 O ATOM 1010 CB LEU A 82 4.787 2.444 0.894 1.00 0.43 C ATOM 1011 CG LEU A 82 4.838 1.265 1.866 1.00 0.76 C ATOM 1012 CD1 LEU A 82 5.990 0.339 1.520 1.00 1.61 C ATOM 1013 CD2 LEU A 82 4.976 1.761 3.296 1.00 1.08 C ATOM 0 H LEU A 82 2.409 2.041 0.043 1.00 0.27 H new ATOM 0 HA LEU A 82 3.594 3.722 2.130 1.00 0.31 H new ATOM 0 HB2 LEU A 82 4.754 2.054 -0.123 1.00 0.43 H new ATOM 0 HB3 LEU A 82 5.713 3.011 0.988 1.00 0.43 H new ATOM 0 HG LEU A 82 3.905 0.708 1.778 1.00 0.76 H new ATOM 0 HD11 LEU A 82 6.011 -0.494 2.222 1.00 1.61 H new ATOM 0 HD12 LEU A 82 5.858 -0.043 0.508 1.00 1.61 H new ATOM 0 HD13 LEU A 82 6.929 0.888 1.581 1.00 1.61 H new ATOM 0 HD21 LEU A 82 5.011 0.909 3.975 1.00 1.08 H new ATOM 0 HD22 LEU A 82 5.894 2.340 3.393 1.00 1.08 H new ATOM 0 HD23 LEU A 82 4.122 2.390 3.547 1.00 1.08 H new ATOM 1025 N LEU A 83 3.468 5.781 0.714 1.00 0.35 N ATOM 1026 CA LEU A 83 3.504 6.998 -0.078 1.00 0.42 C ATOM 1027 C LEU A 83 4.409 8.025 0.559 1.00 0.44 C ATOM 1028 O LEU A 83 4.395 8.197 1.775 1.00 0.55 O ATOM 1029 CB LEU A 83 2.100 7.602 -0.268 1.00 0.45 C ATOM 1030 CG LEU A 83 1.324 8.036 0.993 1.00 0.49 C ATOM 1031 CD1 LEU A 83 0.100 8.835 0.581 1.00 1.17 C ATOM 1032 CD2 LEU A 83 0.884 6.853 1.838 1.00 1.13 C ATOM 0 H LEU A 83 3.196 5.917 1.688 1.00 0.35 H new ATOM 0 HA LEU A 83 3.895 6.726 -1.058 1.00 0.42 H new ATOM 0 HB2 LEU A 83 2.195 8.472 -0.918 1.00 0.45 H new ATOM 0 HB3 LEU A 83 1.491 6.872 -0.801 1.00 0.45 H new ATOM 0 HG LEU A 83 1.998 8.643 1.598 1.00 0.49 H new ATOM 0 HD11 LEU A 83 -0.450 9.143 1.470 1.00 1.17 H new ATOM 0 HD12 LEU A 83 0.413 9.718 0.024 1.00 1.17 H new ATOM 0 HD13 LEU A 83 -0.542 8.218 -0.047 1.00 1.17 H new ATOM 0 HD21 LEU A 83 0.342 7.212 2.713 1.00 1.13 H new ATOM 0 HD22 LEU A 83 0.233 6.207 1.249 1.00 1.13 H new ATOM 0 HD23 LEU A 83 1.760 6.290 2.160 1.00 1.13 H new ATOM 1044 N GLU A 84 5.207 8.707 -0.246 1.00 0.43 N ATOM 1045 CA GLU A 84 5.991 9.793 0.291 1.00 0.45 C ATOM 1046 C GLU A 84 5.192 11.085 0.216 1.00 0.47 C ATOM 1047 O GLU A 84 5.108 11.721 -0.836 1.00 0.54 O ATOM 1048 CB GLU A 84 7.301 9.948 -0.486 1.00 0.55 C ATOM 1049 CG GLU A 84 8.225 8.747 -0.386 1.00 1.29 C ATOM 1050 CD GLU A 84 9.540 8.969 -1.102 1.00 1.47 C ATOM 1051 OE1 GLU A 84 10.319 9.846 -0.674 1.00 1.94 O ATOM 1052 OE2 GLU A 84 9.805 8.272 -2.101 1.00 2.04 O ATOM 0 H GLU A 84 5.324 8.532 -1.244 1.00 0.43 H new ATOM 0 HA GLU A 84 6.229 9.571 1.331 1.00 0.45 H new ATOM 0 HB2 GLU A 84 7.070 10.129 -1.536 1.00 0.55 H new ATOM 0 HB3 GLU A 84 7.827 10.829 -0.119 1.00 0.55 H new ATOM 0 HG2 GLU A 84 8.419 8.528 0.664 1.00 1.29 H new ATOM 0 HG3 GLU A 84 7.728 7.873 -0.808 1.00 1.29 H new ATOM 1059 N LYS A 85 4.606 11.443 1.345 1.00 0.45 N ATOM 1060 CA LYS A 85 3.999 12.751 1.559 1.00 0.56 C ATOM 1061 C LYS A 85 3.556 12.842 3.014 1.00 0.53 C ATOM 1062 O LYS A 85 3.378 11.811 3.662 1.00 0.53 O ATOM 1063 CB LYS A 85 2.801 12.977 0.626 1.00 0.74 C ATOM 1064 CG LYS A 85 1.612 12.077 0.914 1.00 1.00 C ATOM 1065 CD LYS A 85 0.422 12.414 0.028 1.00 0.91 C ATOM 1066 CE LYS A 85 -0.053 13.846 0.233 1.00 1.66 C ATOM 1067 NZ LYS A 85 -1.269 14.150 -0.567 1.00 2.02 N ATOM 0 H LYS A 85 4.536 10.825 2.154 1.00 0.45 H new ATOM 0 HA LYS A 85 4.733 13.525 1.334 1.00 0.56 H new ATOM 0 HB2 LYS A 85 2.484 14.017 0.705 1.00 0.74 H new ATOM 0 HB3 LYS A 85 3.121 12.819 -0.404 1.00 0.74 H new ATOM 0 HG2 LYS A 85 1.898 11.037 0.759 1.00 1.00 H new ATOM 0 HG3 LYS A 85 1.326 12.177 1.961 1.00 1.00 H new ATOM 0 HD2 LYS A 85 0.695 12.269 -1.017 1.00 0.91 H new ATOM 0 HD3 LYS A 85 -0.396 11.726 0.242 1.00 0.91 H new ATOM 0 HE2 LYS A 85 -0.264 14.010 1.290 1.00 1.66 H new ATOM 0 HE3 LYS A 85 0.745 14.536 -0.044 1.00 1.66 H new ATOM 0 HZ1 LYS A 85 -1.480 15.167 -0.505 1.00 2.02 H new ATOM 0 HZ2 LYS A 85 -1.105 13.890 -1.561 1.00 2.02 H new ATOM 0 HZ3 LYS A 85 -2.074 13.606 -0.195 1.00 2.02 H new ATOM 1081 N PRO A 86 3.395 14.052 3.564 1.00 0.60 N ATOM 1082 CA PRO A 86 2.826 14.225 4.901 1.00 0.62 C ATOM 1083 C PRO A 86 1.339 13.881 4.908 1.00 0.61 C ATOM 1084 O PRO A 86 0.550 14.503 4.195 1.00 0.68 O ATOM 1085 CB PRO A 86 3.035 15.717 5.205 1.00 0.74 C ATOM 1086 CG PRO A 86 3.988 16.206 4.165 1.00 0.85 C ATOM 1087 CD PRO A 86 3.769 15.337 2.961 1.00 0.74 C ATOM 0 HA PRO A 86 3.293 13.574 5.640 1.00 0.62 H new ATOM 0 HB2 PRO A 86 2.092 16.262 5.161 1.00 0.74 H new ATOM 0 HB3 PRO A 86 3.440 15.861 6.207 1.00 0.74 H new ATOM 0 HG2 PRO A 86 3.803 17.254 3.929 1.00 0.85 H new ATOM 0 HG3 PRO A 86 5.018 16.135 4.515 1.00 0.85 H new ATOM 0 HD2 PRO A 86 2.982 15.727 2.316 1.00 0.74 H new ATOM 0 HD3 PRO A 86 4.669 15.253 2.351 1.00 0.74 H new ATOM 1095 N VAL A 87 0.957 12.885 5.698 1.00 0.59 N ATOM 1096 CA VAL A 87 -0.426 12.426 5.719 1.00 0.62 C ATOM 1097 C VAL A 87 -1.058 12.584 7.097 1.00 0.62 C ATOM 1098 O VAL A 87 -0.412 12.369 8.125 1.00 0.66 O ATOM 1099 CB VAL A 87 -0.562 10.951 5.270 1.00 0.69 C ATOM 1100 CG1 VAL A 87 -0.117 10.780 3.828 1.00 1.17 C ATOM 1101 CG2 VAL A 87 0.223 10.021 6.185 1.00 0.88 C ATOM 0 H VAL A 87 1.581 12.382 6.329 1.00 0.59 H new ATOM 0 HA VAL A 87 -0.956 13.060 5.008 1.00 0.62 H new ATOM 0 HB VAL A 87 -1.616 10.681 5.339 1.00 0.69 H new ATOM 0 HG11 VAL A 87 -0.222 9.735 3.536 1.00 1.17 H new ATOM 0 HG12 VAL A 87 -0.735 11.402 3.180 1.00 1.17 H new ATOM 0 HG13 VAL A 87 0.926 11.081 3.731 1.00 1.17 H new ATOM 0 HG21 VAL A 87 0.108 8.992 5.844 1.00 0.88 H new ATOM 0 HG22 VAL A 87 1.278 10.294 6.163 1.00 0.88 H new ATOM 0 HG23 VAL A 87 -0.154 10.110 7.204 1.00 0.88 H new ATOM 1111 N SER A 88 -2.317 12.986 7.101 1.00 0.69 N ATOM 1112 CA SER A 88 -3.106 13.048 8.320 1.00 0.76 C ATOM 1113 C SER A 88 -4.025 11.826 8.390 1.00 0.72 C ATOM 1114 O SER A 88 -4.434 11.312 7.345 1.00 0.69 O ATOM 1115 CB SER A 88 -3.922 14.349 8.351 1.00 0.92 C ATOM 1116 OG SER A 88 -4.713 14.444 9.521 1.00 1.44 O ATOM 0 H SER A 88 -2.820 13.278 6.263 1.00 0.69 H new ATOM 0 HA SER A 88 -2.445 13.041 9.187 1.00 0.76 H new ATOM 0 HB2 SER A 88 -3.247 15.203 8.298 1.00 0.92 H new ATOM 0 HB3 SER A 88 -4.565 14.396 7.472 1.00 0.92 H new ATOM 0 HG SER A 88 -5.217 15.284 9.508 1.00 1.44 H new ATOM 1122 N PRO A 89 -4.347 11.329 9.599 1.00 0.78 N ATOM 1123 CA PRO A 89 -5.243 10.176 9.775 1.00 0.79 C ATOM 1124 C PRO A 89 -6.542 10.301 8.977 1.00 0.67 C ATOM 1125 O PRO A 89 -7.057 9.311 8.450 1.00 0.65 O ATOM 1126 CB PRO A 89 -5.534 10.188 11.274 1.00 0.98 C ATOM 1127 CG PRO A 89 -4.324 10.805 11.882 1.00 1.14 C ATOM 1128 CD PRO A 89 -3.843 11.831 10.893 1.00 0.92 C ATOM 0 HA PRO A 89 -4.788 9.253 9.415 1.00 0.79 H new ATOM 0 HB2 PRO A 89 -6.430 10.765 11.500 1.00 0.98 H new ATOM 0 HB3 PRO A 89 -5.700 9.180 11.655 1.00 0.98 H new ATOM 0 HG2 PRO A 89 -4.561 11.267 12.840 1.00 1.14 H new ATOM 0 HG3 PRO A 89 -3.556 10.055 12.071 1.00 1.14 H new ATOM 0 HD2 PRO A 89 -4.237 12.822 11.120 1.00 0.92 H new ATOM 0 HD3 PRO A 89 -2.756 11.912 10.896 1.00 0.92 H new ATOM 1136 N GLU A 90 -7.057 11.523 8.878 1.00 0.71 N ATOM 1137 CA GLU A 90 -8.287 11.789 8.141 1.00 0.72 C ATOM 1138 C GLU A 90 -8.144 11.373 6.672 1.00 0.64 C ATOM 1139 O GLU A 90 -9.096 10.892 6.056 1.00 0.68 O ATOM 1140 CB GLU A 90 -8.643 13.274 8.236 1.00 0.87 C ATOM 1141 CG GLU A 90 -10.045 13.604 7.750 1.00 1.24 C ATOM 1142 CD GLU A 90 -11.127 12.984 8.615 1.00 1.76 C ATOM 1143 OE1 GLU A 90 -11.721 11.968 8.201 1.00 2.43 O ATOM 1144 OE2 GLU A 90 -11.390 13.510 9.715 1.00 2.37 O ATOM 0 H GLU A 90 -6.637 12.350 9.303 1.00 0.71 H new ATOM 0 HA GLU A 90 -9.089 11.200 8.586 1.00 0.72 H new ATOM 0 HB2 GLU A 90 -8.543 13.596 9.273 1.00 0.87 H new ATOM 0 HB3 GLU A 90 -7.923 13.848 7.653 1.00 0.87 H new ATOM 0 HG2 GLU A 90 -10.174 14.686 7.734 1.00 1.24 H new ATOM 0 HG3 GLU A 90 -10.161 13.254 6.724 1.00 1.24 H new ATOM 1151 N TYR A 91 -6.946 11.534 6.121 1.00 0.62 N ATOM 1152 CA TYR A 91 -6.697 11.187 4.728 1.00 0.62 C ATOM 1153 C TYR A 91 -6.617 9.679 4.543 1.00 0.52 C ATOM 1154 O TYR A 91 -6.998 9.159 3.491 1.00 0.52 O ATOM 1155 CB TYR A 91 -5.426 11.857 4.210 1.00 0.72 C ATOM 1156 CG TYR A 91 -5.629 13.309 3.846 1.00 1.20 C ATOM 1157 CD1 TYR A 91 -6.148 13.661 2.607 1.00 1.63 C ATOM 1158 CD2 TYR A 91 -5.308 14.323 4.733 1.00 2.22 C ATOM 1159 CE1 TYR A 91 -6.341 14.983 2.264 1.00 2.36 C ATOM 1160 CE2 TYR A 91 -5.497 15.650 4.399 1.00 3.00 C ATOM 1161 CZ TYR A 91 -6.015 15.975 3.163 1.00 2.89 C ATOM 1162 OH TYR A 91 -6.205 17.294 2.821 1.00 3.78 O ATOM 0 H TYR A 91 -6.134 11.902 6.617 1.00 0.62 H new ATOM 0 HA TYR A 91 -7.539 11.558 4.144 1.00 0.62 H new ATOM 0 HB2 TYR A 91 -4.648 11.784 4.970 1.00 0.72 H new ATOM 0 HB3 TYR A 91 -5.068 11.316 3.334 1.00 0.72 H new ATOM 0 HD1 TYR A 91 -6.405 12.886 1.900 1.00 1.63 H new ATOM 0 HD2 TYR A 91 -4.903 14.072 5.702 1.00 2.22 H new ATOM 0 HE1 TYR A 91 -6.745 15.239 1.296 1.00 2.36 H new ATOM 0 HE2 TYR A 91 -5.240 16.429 5.102 1.00 3.00 H new ATOM 0 HH TYR A 91 -5.927 17.868 3.565 1.00 3.78 H new ATOM 1172 N GLU A 92 -6.132 8.973 5.562 1.00 0.48 N ATOM 1173 CA GLU A 92 -6.146 7.523 5.541 1.00 0.42 C ATOM 1174 C GLU A 92 -7.575 7.035 5.441 1.00 0.42 C ATOM 1175 O GLU A 92 -7.885 6.168 4.637 1.00 0.43 O ATOM 1176 CB GLU A 92 -5.502 6.941 6.798 1.00 0.48 C ATOM 1177 CG GLU A 92 -5.524 5.422 6.811 1.00 0.49 C ATOM 1178 CD GLU A 92 -4.917 4.826 8.063 1.00 0.65 C ATOM 1179 OE1 GLU A 92 -3.710 4.505 8.049 1.00 1.46 O ATOM 1180 OE2 GLU A 92 -5.650 4.657 9.062 1.00 1.14 O ATOM 0 H GLU A 92 -5.728 9.383 6.404 1.00 0.48 H new ATOM 0 HA GLU A 92 -5.571 7.191 4.677 1.00 0.42 H new ATOM 0 HB2 GLU A 92 -4.471 7.287 6.868 1.00 0.48 H new ATOM 0 HB3 GLU A 92 -6.025 7.317 7.678 1.00 0.48 H new ATOM 0 HG2 GLU A 92 -6.554 5.079 6.716 1.00 0.49 H new ATOM 0 HG3 GLU A 92 -4.983 5.050 5.941 1.00 0.49 H new ATOM 1187 N LYS A 93 -8.441 7.636 6.244 1.00 0.47 N ATOM 1188 CA LYS A 93 -9.845 7.271 6.297 1.00 0.54 C ATOM 1189 C LYS A 93 -10.525 7.543 4.962 1.00 0.53 C ATOM 1190 O LYS A 93 -11.488 6.877 4.604 1.00 0.55 O ATOM 1191 CB LYS A 93 -10.539 8.055 7.412 1.00 0.69 C ATOM 1192 CG LYS A 93 -12.009 7.717 7.581 1.00 1.51 C ATOM 1193 CD LYS A 93 -12.630 8.529 8.701 1.00 2.25 C ATOM 1194 CE LYS A 93 -14.106 8.219 8.871 1.00 2.80 C ATOM 1195 NZ LYS A 93 -14.707 9.008 9.977 1.00 3.25 N ATOM 0 H LYS A 93 -8.186 8.393 6.879 1.00 0.47 H new ATOM 0 HA LYS A 93 -9.921 6.204 6.506 1.00 0.54 H new ATOM 0 HB2 LYS A 93 -10.022 7.864 8.353 1.00 0.69 H new ATOM 0 HB3 LYS A 93 -10.443 9.121 7.207 1.00 0.69 H new ATOM 0 HG2 LYS A 93 -12.540 7.912 6.649 1.00 1.51 H new ATOM 0 HG3 LYS A 93 -12.119 6.654 7.794 1.00 1.51 H new ATOM 0 HD2 LYS A 93 -12.105 8.322 9.634 1.00 2.25 H new ATOM 0 HD3 LYS A 93 -12.503 9.591 8.493 1.00 2.25 H new ATOM 0 HE2 LYS A 93 -14.633 8.435 7.942 1.00 2.80 H new ATOM 0 HE3 LYS A 93 -14.234 7.155 9.071 1.00 2.80 H new ATOM 0 HZ1 LYS A 93 -15.716 8.771 10.064 1.00 3.25 H new ATOM 0 HZ2 LYS A 93 -14.220 8.783 10.868 1.00 3.25 H new ATOM 0 HZ3 LYS A 93 -14.606 10.023 9.774 1.00 3.25 H new ATOM 1209 N LYS A 94 -10.009 8.514 4.221 1.00 0.54 N ATOM 1210 CA LYS A 94 -10.582 8.866 2.932 1.00 0.59 C ATOM 1211 C LYS A 94 -10.189 7.837 1.870 1.00 0.52 C ATOM 1212 O LYS A 94 -10.988 7.499 1.000 1.00 0.57 O ATOM 1213 CB LYS A 94 -10.154 10.278 2.524 1.00 0.67 C ATOM 1214 CG LYS A 94 -10.875 10.802 1.290 1.00 1.19 C ATOM 1215 CD LYS A 94 -10.748 12.314 1.158 1.00 1.48 C ATOM 1216 CE LYS A 94 -9.301 12.757 1.006 1.00 1.97 C ATOM 1217 NZ LYS A 94 -8.680 12.222 -0.233 1.00 2.44 N ATOM 0 H LYS A 94 -9.197 9.070 4.490 1.00 0.54 H new ATOM 0 HA LYS A 94 -11.669 8.857 3.018 1.00 0.59 H new ATOM 0 HB2 LYS A 94 -10.335 10.958 3.356 1.00 0.67 H new ATOM 0 HB3 LYS A 94 -9.080 10.283 2.336 1.00 0.67 H new ATOM 0 HG2 LYS A 94 -10.466 10.324 0.400 1.00 1.19 H new ATOM 0 HG3 LYS A 94 -11.929 10.529 1.342 1.00 1.19 H new ATOM 0 HD2 LYS A 94 -11.322 12.651 0.295 1.00 1.48 H new ATOM 0 HD3 LYS A 94 -11.182 12.792 2.036 1.00 1.48 H new ATOM 0 HE2 LYS A 94 -9.255 13.846 0.993 1.00 1.97 H new ATOM 0 HE3 LYS A 94 -8.728 12.424 1.871 1.00 1.97 H new ATOM 0 HZ1 LYS A 94 -8.250 13.002 -0.770 1.00 2.44 H new ATOM 0 HZ2 LYS A 94 -7.947 11.529 0.018 1.00 2.44 H new ATOM 0 HZ3 LYS A 94 -9.408 11.761 -0.815 1.00 2.44 H new ATOM 1231 N LEU A 95 -8.966 7.325 1.954 1.00 0.47 N ATOM 1232 CA LEU A 95 -8.525 6.256 1.058 1.00 0.45 C ATOM 1233 C LEU A 95 -9.120 4.929 1.516 1.00 0.39 C ATOM 1234 O LEU A 95 -9.485 4.073 0.708 1.00 0.41 O ATOM 1235 CB LEU A 95 -6.996 6.165 1.034 1.00 0.46 C ATOM 1236 CG LEU A 95 -6.273 7.430 0.565 1.00 0.54 C ATOM 1237 CD1 LEU A 95 -4.768 7.250 0.653 1.00 1.14 C ATOM 1238 CD2 LEU A 95 -6.682 7.788 -0.857 1.00 1.12 C ATOM 0 H LEU A 95 -8.264 7.629 2.629 1.00 0.47 H new ATOM 0 HA LEU A 95 -8.870 6.480 0.048 1.00 0.45 H new ATOM 0 HB2 LEU A 95 -6.647 5.918 2.037 1.00 0.46 H new ATOM 0 HB3 LEU A 95 -6.708 5.339 0.384 1.00 0.46 H new ATOM 0 HG LEU A 95 -6.562 8.250 1.223 1.00 0.54 H new ATOM 0 HD11 LEU A 95 -4.272 8.160 0.315 1.00 1.14 H new ATOM 0 HD12 LEU A 95 -4.486 7.045 1.686 1.00 1.14 H new ATOM 0 HD13 LEU A 95 -4.464 6.415 0.021 1.00 1.14 H new ATOM 0 HD21 LEU A 95 -6.157 8.690 -1.171 1.00 1.12 H new ATOM 0 HD22 LEU A 95 -6.426 6.967 -1.527 1.00 1.12 H new ATOM 0 HD23 LEU A 95 -7.757 7.963 -0.893 1.00 1.12 H new ATOM 1250 N GLN A 96 -9.223 4.793 2.830 1.00 0.37 N ATOM 1251 CA GLN A 96 -9.836 3.640 3.474 1.00 0.40 C ATOM 1252 C GLN A 96 -11.338 3.636 3.182 1.00 0.45 C ATOM 1253 O GLN A 96 -12.019 2.625 3.337 1.00 0.49 O ATOM 1254 CB GLN A 96 -9.569 3.736 4.985 1.00 0.53 C ATOM 1255 CG GLN A 96 -9.908 2.500 5.802 1.00 0.60 C ATOM 1256 CD GLN A 96 -9.603 2.697 7.275 1.00 1.30 C ATOM 1257 OE1 GLN A 96 -9.655 3.817 7.788 1.00 1.79 O ATOM 1258 NE2 GLN A 96 -9.297 1.614 7.970 1.00 2.20 N ATOM 0 H GLN A 96 -8.878 5.491 3.489 1.00 0.37 H new ATOM 0 HA GLN A 96 -9.414 2.710 3.092 1.00 0.40 H new ATOM 0 HB2 GLN A 96 -8.514 3.967 5.133 1.00 0.53 H new ATOM 0 HB3 GLN A 96 -10.138 4.577 5.382 1.00 0.53 H new ATOM 0 HG2 GLN A 96 -10.964 2.261 5.678 1.00 0.60 H new ATOM 0 HG3 GLN A 96 -9.342 1.648 5.424 1.00 0.60 H new ATOM 0 HE21 GLN A 96 -9.264 0.705 7.509 1.00 2.20 H new ATOM 0 HE22 GLN A 96 -9.094 1.688 8.967 1.00 2.20 H new ATOM 1267 N LYS A 97 -11.838 4.804 2.794 1.00 0.52 N ATOM 1268 CA LYS A 97 -13.226 4.969 2.380 1.00 0.64 C ATOM 1269 C LYS A 97 -13.434 4.533 0.927 1.00 0.65 C ATOM 1270 O LYS A 97 -14.450 3.921 0.596 1.00 0.72 O ATOM 1271 CB LYS A 97 -13.642 6.433 2.540 1.00 0.78 C ATOM 1272 CG LYS A 97 -15.104 6.701 2.237 1.00 1.44 C ATOM 1273 CD LYS A 97 -15.413 8.187 2.304 1.00 1.95 C ATOM 1274 CE LYS A 97 -16.901 8.452 2.150 1.00 2.39 C ATOM 1275 NZ LYS A 97 -17.691 7.825 3.243 1.00 2.87 N ATOM 0 H LYS A 97 -11.291 5.664 2.758 1.00 0.52 H new ATOM 0 HA LYS A 97 -13.844 4.335 3.016 1.00 0.64 H new ATOM 0 HB2 LYS A 97 -13.430 6.750 3.561 1.00 0.78 H new ATOM 0 HB3 LYS A 97 -13.028 7.048 1.882 1.00 0.78 H new ATOM 0 HG2 LYS A 97 -15.349 6.320 1.246 1.00 1.44 H new ATOM 0 HG3 LYS A 97 -15.731 6.164 2.949 1.00 1.44 H new ATOM 0 HD2 LYS A 97 -15.067 8.589 3.256 1.00 1.95 H new ATOM 0 HD3 LYS A 97 -14.866 8.710 1.519 1.00 1.95 H new ATOM 0 HE2 LYS A 97 -17.080 9.527 2.143 1.00 2.39 H new ATOM 0 HE3 LYS A 97 -17.241 8.066 1.189 1.00 2.39 H new ATOM 0 HZ1 LYS A 97 -18.633 8.264 3.287 1.00 2.87 H new ATOM 0 HZ2 LYS A 97 -17.792 6.807 3.058 1.00 2.87 H new ATOM 0 HZ3 LYS A 97 -17.201 7.965 4.150 1.00 2.87 H new ATOM 1289 N TYR A 98 -12.474 4.868 0.062 1.00 0.63 N ATOM 1290 CA TYR A 98 -12.593 4.576 -1.370 1.00 0.68 C ATOM 1291 C TYR A 98 -12.659 3.078 -1.624 1.00 0.64 C ATOM 1292 O TYR A 98 -13.503 2.604 -2.383 1.00 0.73 O ATOM 1293 CB TYR A 98 -11.422 5.179 -2.154 1.00 0.71 C ATOM 1294 CG TYR A 98 -11.365 6.693 -2.132 1.00 1.02 C ATOM 1295 CD1 TYR A 98 -12.520 7.458 -2.006 1.00 1.91 C ATOM 1296 CD2 TYR A 98 -10.151 7.357 -2.249 1.00 1.78 C ATOM 1297 CE1 TYR A 98 -12.464 8.838 -1.995 1.00 2.65 C ATOM 1298 CE2 TYR A 98 -10.088 8.738 -2.238 1.00 2.50 C ATOM 1299 CZ TYR A 98 -11.246 9.474 -2.110 1.00 2.73 C ATOM 1300 OH TYR A 98 -11.188 10.851 -2.099 1.00 3.64 O ATOM 0 H TYR A 98 -11.609 5.340 0.326 1.00 0.63 H new ATOM 0 HA TYR A 98 -13.522 5.031 -1.715 1.00 0.68 H new ATOM 0 HB2 TYR A 98 -10.489 4.787 -1.748 1.00 0.71 H new ATOM 0 HB3 TYR A 98 -11.484 4.845 -3.190 1.00 0.71 H new ATOM 0 HD1 TYR A 98 -13.476 6.965 -1.915 1.00 1.91 H new ATOM 0 HD2 TYR A 98 -9.241 6.785 -2.350 1.00 1.78 H new ATOM 0 HE1 TYR A 98 -13.371 9.417 -1.897 1.00 2.65 H new ATOM 0 HE2 TYR A 98 -9.135 9.238 -2.329 1.00 2.50 H new ATOM 0 HH TYR A 98 -11.924 11.205 -1.557 1.00 3.64 H new ATOM 1310 N ALA A 99 -11.761 2.342 -0.995 1.00 0.56 N ATOM 1311 CA ALA A 99 -11.750 0.894 -1.105 1.00 0.56 C ATOM 1312 C ALA A 99 -12.303 0.286 0.167 1.00 0.52 C ATOM 1313 O ALA A 99 -12.136 0.850 1.247 1.00 0.60 O ATOM 1314 CB ALA A 99 -10.334 0.393 -1.344 1.00 0.59 C ATOM 0 H ALA A 99 -11.026 2.725 -0.400 1.00 0.56 H new ATOM 0 HA ALA A 99 -12.372 0.598 -1.950 1.00 0.56 H new ATOM 0 HB1 ALA A 99 -10.341 -0.694 -1.424 1.00 0.59 H new ATOM 0 HB2 ALA A 99 -9.947 0.823 -2.268 1.00 0.59 H new ATOM 0 HB3 ALA A 99 -9.697 0.691 -0.511 1.00 0.59 H new ATOM 1320 N ASP A 100 -12.963 -0.852 0.062 1.00 0.54 N ATOM 1321 CA ASP A 100 -13.416 -1.526 1.258 1.00 0.53 C ATOM 1322 C ASP A 100 -12.337 -2.477 1.706 1.00 0.47 C ATOM 1323 O ASP A 100 -12.203 -3.592 1.200 1.00 0.51 O ATOM 1324 CB ASP A 100 -14.719 -2.289 1.013 1.00 0.66 C ATOM 1325 CG ASP A 100 -15.902 -1.372 0.796 1.00 0.99 C ATOM 1326 OD1 ASP A 100 -16.467 -0.886 1.798 1.00 1.77 O ATOM 1327 OD2 ASP A 100 -16.278 -1.143 -0.374 1.00 1.73 O ATOM 0 H ASP A 100 -13.192 -1.318 -0.816 1.00 0.54 H new ATOM 0 HA ASP A 100 -13.615 -0.783 2.030 1.00 0.53 H new ATOM 0 HB2 ASP A 100 -14.599 -2.933 0.142 1.00 0.66 H new ATOM 0 HB3 ASP A 100 -14.920 -2.939 1.865 1.00 0.66 H new ATOM 1332 N ALA A 101 -11.587 -2.010 2.673 1.00 0.42 N ATOM 1333 CA ALA A 101 -10.509 -2.758 3.275 1.00 0.39 C ATOM 1334 C ALA A 101 -9.961 -1.959 4.430 1.00 0.37 C ATOM 1335 O ALA A 101 -10.385 -0.824 4.667 1.00 0.50 O ATOM 1336 CB ALA A 101 -9.412 -3.041 2.256 1.00 0.43 C ATOM 0 H ALA A 101 -11.711 -1.080 3.073 1.00 0.42 H new ATOM 0 HA ALA A 101 -10.884 -3.718 3.631 1.00 0.39 H new ATOM 0 HB1 ALA A 101 -8.610 -3.606 2.732 1.00 0.43 H new ATOM 0 HB2 ALA A 101 -9.824 -3.621 1.430 1.00 0.43 H new ATOM 0 HB3 ALA A 101 -9.016 -2.099 1.876 1.00 0.43 H new ATOM 1342 N GLU A 102 -9.023 -2.534 5.139 1.00 0.31 N ATOM 1343 CA GLU A 102 -8.332 -1.815 6.175 1.00 0.31 C ATOM 1344 C GLU A 102 -6.990 -1.349 5.636 1.00 0.29 C ATOM 1345 O GLU A 102 -5.995 -2.070 5.720 1.00 0.36 O ATOM 1346 CB GLU A 102 -8.125 -2.705 7.391 1.00 0.41 C ATOM 1347 CG GLU A 102 -9.343 -3.529 7.774 1.00 0.76 C ATOM 1348 CD GLU A 102 -9.066 -4.469 8.928 1.00 1.16 C ATOM 1349 OE1 GLU A 102 -8.914 -5.684 8.688 1.00 1.77 O ATOM 1350 OE2 GLU A 102 -8.990 -3.994 10.083 1.00 1.77 O ATOM 0 H GLU A 102 -8.721 -3.500 5.016 1.00 0.31 H new ATOM 0 HA GLU A 102 -8.928 -0.954 6.480 1.00 0.31 H new ATOM 0 HB2 GLU A 102 -7.291 -3.379 7.196 1.00 0.41 H new ATOM 0 HB3 GLU A 102 -7.840 -2.082 8.239 1.00 0.41 H new ATOM 0 HG2 GLU A 102 -10.161 -2.860 8.042 1.00 0.76 H new ATOM 0 HG3 GLU A 102 -9.674 -4.106 6.910 1.00 0.76 H new ATOM 1357 N VAL A 103 -6.966 -0.165 5.043 1.00 0.27 N ATOM 1358 CA VAL A 103 -5.728 0.355 4.500 1.00 0.32 C ATOM 1359 C VAL A 103 -4.957 1.093 5.581 1.00 0.32 C ATOM 1360 O VAL A 103 -5.534 1.797 6.411 1.00 0.38 O ATOM 1361 CB VAL A 103 -5.943 1.277 3.270 1.00 0.44 C ATOM 1362 CG1 VAL A 103 -6.424 2.658 3.670 1.00 0.70 C ATOM 1363 CG2 VAL A 103 -4.664 1.395 2.464 1.00 1.05 C ATOM 0 H VAL A 103 -7.777 0.443 4.928 1.00 0.27 H new ATOM 0 HA VAL A 103 -5.151 -0.501 4.151 1.00 0.32 H new ATOM 0 HB VAL A 103 -6.718 0.817 2.658 1.00 0.44 H new ATOM 0 HG11 VAL A 103 -6.561 3.268 2.777 1.00 0.70 H new ATOM 0 HG12 VAL A 103 -7.372 2.573 4.201 1.00 0.70 H new ATOM 0 HG13 VAL A 103 -5.685 3.126 4.320 1.00 0.70 H new ATOM 0 HG21 VAL A 103 -4.834 2.045 1.606 1.00 1.05 H new ATOM 0 HG22 VAL A 103 -3.878 1.817 3.089 1.00 1.05 H new ATOM 0 HG23 VAL A 103 -4.360 0.407 2.117 1.00 1.05 H new ATOM 1373 N ARG A 104 -3.664 0.882 5.589 1.00 0.33 N ATOM 1374 CA ARG A 104 -2.785 1.545 6.521 1.00 0.37 C ATOM 1375 C ARG A 104 -1.802 2.397 5.739 1.00 0.33 C ATOM 1376 O ARG A 104 -0.840 1.879 5.169 1.00 0.38 O ATOM 1377 CB ARG A 104 -2.057 0.499 7.367 1.00 0.46 C ATOM 1378 CG ARG A 104 -1.220 1.077 8.492 1.00 1.23 C ATOM 1379 CD ARG A 104 -0.663 -0.024 9.377 1.00 1.26 C ATOM 1380 NE ARG A 104 -1.728 -0.809 10.004 1.00 1.50 N ATOM 1381 CZ ARG A 104 -1.579 -2.055 10.454 1.00 1.82 C ATOM 1382 NH1 ARG A 104 -0.413 -2.678 10.343 1.00 1.78 N ATOM 1383 NH2 ARG A 104 -2.600 -2.684 11.018 1.00 2.71 N ATOM 0 H ARG A 104 -3.190 0.245 4.949 1.00 0.33 H new ATOM 0 HA ARG A 104 -3.353 2.188 7.193 1.00 0.37 H new ATOM 0 HB2 ARG A 104 -2.793 -0.184 7.792 1.00 0.46 H new ATOM 0 HB3 ARG A 104 -1.412 -0.092 6.717 1.00 0.46 H new ATOM 0 HG2 ARG A 104 -0.401 1.664 8.076 1.00 1.23 H new ATOM 0 HG3 ARG A 104 -1.827 1.757 9.090 1.00 1.23 H new ATOM 0 HD2 ARG A 104 -0.028 -0.682 8.783 1.00 1.26 H new ATOM 0 HD3 ARG A 104 -0.032 0.415 10.150 1.00 1.26 H new ATOM 0 HE ARG A 104 -2.645 -0.374 10.103 1.00 1.50 H new ATOM 0 HH11 ARG A 104 0.380 -2.204 9.910 1.00 1.78 H new ATOM 0 HH12 ARG A 104 -0.309 -3.631 10.690 1.00 1.78 H new ATOM 0 HH21 ARG A 104 -3.501 -2.215 11.108 1.00 2.71 H new ATOM 0 HH22 ARG A 104 -2.485 -3.637 11.362 1.00 2.71 H new ATOM 1397 N VAL A 105 -2.061 3.693 5.672 1.00 0.31 N ATOM 1398 CA VAL A 105 -1.214 4.568 4.886 1.00 0.31 C ATOM 1399 C VAL A 105 0.068 4.877 5.658 1.00 0.31 C ATOM 1400 O VAL A 105 0.025 5.239 6.834 1.00 0.41 O ATOM 1401 CB VAL A 105 -1.920 5.883 4.475 1.00 0.39 C ATOM 1402 CG1 VAL A 105 -3.196 5.586 3.704 1.00 0.64 C ATOM 1403 CG2 VAL A 105 -2.209 6.770 5.675 1.00 0.71 C ATOM 0 H VAL A 105 -2.838 4.154 6.145 1.00 0.31 H new ATOM 0 HA VAL A 105 -0.976 4.039 3.963 1.00 0.31 H new ATOM 0 HB VAL A 105 -1.239 6.431 3.824 1.00 0.39 H new ATOM 0 HG11 VAL A 105 -3.678 6.523 3.424 1.00 0.64 H new ATOM 0 HG12 VAL A 105 -2.954 5.019 2.805 1.00 0.64 H new ATOM 0 HG13 VAL A 105 -3.872 5.003 4.330 1.00 0.64 H new ATOM 0 HG21 VAL A 105 -2.705 7.682 5.342 1.00 0.71 H new ATOM 0 HG22 VAL A 105 -2.857 6.239 6.373 1.00 0.71 H new ATOM 0 HG23 VAL A 105 -1.273 7.026 6.172 1.00 0.71 H new ATOM 1413 N ARG A 106 1.207 4.694 5.021 1.00 0.31 N ATOM 1414 CA ARG A 106 2.484 4.946 5.670 1.00 0.35 C ATOM 1415 C ARG A 106 3.359 5.819 4.789 1.00 0.29 C ATOM 1416 O ARG A 106 3.427 5.620 3.576 1.00 0.31 O ATOM 1417 CB ARG A 106 3.203 3.628 5.984 1.00 0.46 C ATOM 1418 CG ARG A 106 2.572 2.808 7.106 1.00 0.79 C ATOM 1419 CD ARG A 106 2.750 3.460 8.475 1.00 0.87 C ATOM 1420 NE ARG A 106 1.848 4.593 8.684 1.00 1.30 N ATOM 1421 CZ ARG A 106 1.948 5.454 9.699 1.00 1.70 C ATOM 1422 NH1 ARG A 106 2.928 5.333 10.585 1.00 1.88 N ATOM 1423 NH2 ARG A 106 1.063 6.434 9.825 1.00 2.63 N ATOM 0 H ARG A 106 1.278 4.372 4.056 1.00 0.31 H new ATOM 0 HA ARG A 106 2.293 5.468 6.608 1.00 0.35 H new ATOM 0 HB2 ARG A 106 3.230 3.020 5.079 1.00 0.46 H new ATOM 0 HB3 ARG A 106 4.237 3.849 6.251 1.00 0.46 H new ATOM 0 HG2 ARG A 106 1.509 2.679 6.904 1.00 0.79 H new ATOM 0 HG3 ARG A 106 3.017 1.813 7.120 1.00 0.79 H new ATOM 0 HD2 ARG A 106 2.577 2.716 9.252 1.00 0.87 H new ATOM 0 HD3 ARG A 106 3.781 3.798 8.580 1.00 0.87 H new ATOM 0 HE ARG A 106 1.095 4.734 8.011 1.00 1.30 H new ATOM 0 HH11 ARG A 106 3.609 4.580 10.492 1.00 1.88 H new ATOM 0 HH12 ARG A 106 3.000 5.993 11.359 1.00 1.88 H new ATOM 0 HH21 ARG A 106 0.307 6.529 9.147 1.00 2.63 H new ATOM 0 HH22 ARG A 106 1.138 7.093 10.600 1.00 2.63 H new ATOM 1437 N THR A 107 4.018 6.789 5.397 1.00 0.34 N ATOM 1438 CA THR A 107 4.883 7.687 4.661 1.00 0.36 C ATOM 1439 C THR A 107 6.341 7.291 4.886 1.00 0.40 C ATOM 1440 O THR A 107 6.729 6.925 6.000 1.00 0.56 O ATOM 1441 CB THR A 107 4.636 9.164 5.062 1.00 0.50 C ATOM 1442 OG1 THR A 107 5.320 10.056 4.175 1.00 0.56 O ATOM 1443 CG2 THR A 107 5.078 9.442 6.489 1.00 0.64 C ATOM 0 H THR A 107 3.969 6.973 6.399 1.00 0.34 H new ATOM 0 HA THR A 107 4.653 7.602 3.599 1.00 0.36 H new ATOM 0 HB THR A 107 3.562 9.334 4.991 1.00 0.50 H new ATOM 0 HG1 THR A 107 4.806 10.886 4.085 1.00 0.56 H new ATOM 0 HG21 THR A 107 4.888 10.488 6.732 1.00 0.64 H new ATOM 0 HG22 THR A 107 4.520 8.804 7.174 1.00 0.64 H new ATOM 0 HG23 THR A 107 6.144 9.235 6.587 1.00 0.64 H new ATOM 1451 N VAL A 108 7.130 7.321 3.822 1.00 0.44 N ATOM 1452 CA VAL A 108 8.526 6.916 3.896 1.00 0.60 C ATOM 1453 C VAL A 108 9.426 7.970 3.268 1.00 0.68 C ATOM 1454 O VAL A 108 8.947 8.888 2.603 1.00 0.86 O ATOM 1455 CB VAL A 108 8.768 5.559 3.192 1.00 0.71 C ATOM 1456 CG1 VAL A 108 8.018 4.442 3.900 1.00 1.34 C ATOM 1457 CG2 VAL A 108 8.358 5.628 1.727 1.00 0.97 C ATOM 0 H VAL A 108 6.827 7.622 2.896 1.00 0.44 H new ATOM 0 HA VAL A 108 8.769 6.808 4.953 1.00 0.60 H new ATOM 0 HB VAL A 108 9.835 5.341 3.240 1.00 0.71 H new ATOM 0 HG11 VAL A 108 8.203 3.498 3.388 1.00 1.34 H new ATOM 0 HG12 VAL A 108 8.363 4.369 4.931 1.00 1.34 H new ATOM 0 HG13 VAL A 108 6.950 4.657 3.889 1.00 1.34 H new ATOM 0 HG21 VAL A 108 8.537 4.663 1.253 1.00 0.97 H new ATOM 0 HG22 VAL A 108 7.299 5.876 1.657 1.00 0.97 H new ATOM 0 HG23 VAL A 108 8.944 6.395 1.221 1.00 0.97 H new ATOM 1467 N THR A 109 10.722 7.854 3.509 1.00 0.68 N ATOM 1468 CA THR A 109 11.698 8.749 2.913 1.00 0.78 C ATOM 1469 C THR A 109 12.938 7.992 2.437 1.00 0.71 C ATOM 1470 O THR A 109 13.822 8.573 1.803 1.00 0.88 O ATOM 1471 CB THR A 109 12.128 9.848 3.908 1.00 0.96 C ATOM 1472 OG1 THR A 109 12.333 9.284 5.214 1.00 1.22 O ATOM 1473 CG2 THR A 109 11.091 10.957 3.989 1.00 1.11 C ATOM 0 H THR A 109 11.124 7.142 4.119 1.00 0.68 H new ATOM 0 HA THR A 109 11.215 9.211 2.052 1.00 0.78 H new ATOM 0 HB THR A 109 13.062 10.276 3.545 1.00 0.96 H new ATOM 0 HG1 THR A 109 12.520 8.326 5.131 1.00 1.22 H new ATOM 0 HG21 THR A 109 11.424 11.715 4.698 1.00 1.11 H new ATOM 0 HG22 THR A 109 10.965 11.410 3.006 1.00 1.11 H new ATOM 0 HG23 THR A 109 10.140 10.542 4.322 1.00 1.11 H new ATOM 1481 N SER A 110 13.021 6.703 2.761 1.00 0.59 N ATOM 1482 CA SER A 110 14.177 5.898 2.379 1.00 0.54 C ATOM 1483 C SER A 110 13.814 4.417 2.212 1.00 0.49 C ATOM 1484 O SER A 110 12.947 3.909 2.925 1.00 0.51 O ATOM 1485 CB SER A 110 15.286 6.051 3.424 1.00 0.62 C ATOM 1486 OG SER A 110 15.669 7.411 3.565 1.00 0.93 O ATOM 0 H SER A 110 12.306 6.197 3.284 1.00 0.59 H new ATOM 0 HA SER A 110 14.529 6.261 1.413 1.00 0.54 H new ATOM 0 HB2 SER A 110 14.942 5.665 4.384 1.00 0.62 H new ATOM 0 HB3 SER A 110 16.150 5.455 3.132 1.00 0.62 H new ATOM 0 HG SER A 110 16.377 7.483 4.239 1.00 0.93 H new ATOM 1492 N PRO A 111 14.451 3.730 1.241 1.00 0.49 N ATOM 1493 CA PRO A 111 14.213 2.310 0.930 1.00 0.49 C ATOM 1494 C PRO A 111 13.946 1.419 2.148 1.00 0.45 C ATOM 1495 O PRO A 111 12.946 0.695 2.185 1.00 0.50 O ATOM 1496 CB PRO A 111 15.517 1.903 0.256 1.00 0.58 C ATOM 1497 CG PRO A 111 15.960 3.128 -0.470 1.00 0.60 C ATOM 1498 CD PRO A 111 15.452 4.310 0.322 1.00 0.54 C ATOM 0 HA PRO A 111 13.312 2.187 0.328 1.00 0.49 H new ATOM 0 HB2 PRO A 111 16.260 1.585 0.988 1.00 0.58 H new ATOM 0 HB3 PRO A 111 15.366 1.068 -0.429 1.00 0.58 H new ATOM 0 HG2 PRO A 111 17.046 3.157 -0.554 1.00 0.60 H new ATOM 0 HG3 PRO A 111 15.562 3.142 -1.484 1.00 0.60 H new ATOM 0 HD2 PRO A 111 16.258 4.799 0.869 1.00 0.54 H new ATOM 0 HD3 PRO A 111 15.006 5.063 -0.328 1.00 0.54 H new ATOM 1506 N ASP A 112 14.831 1.486 3.140 1.00 0.47 N ATOM 1507 CA ASP A 112 14.751 0.610 4.311 1.00 0.49 C ATOM 1508 C ASP A 112 13.433 0.764 5.054 1.00 0.43 C ATOM 1509 O ASP A 112 12.923 -0.199 5.622 1.00 0.45 O ATOM 1510 CB ASP A 112 15.917 0.871 5.271 1.00 0.60 C ATOM 1511 CG ASP A 112 17.240 0.327 4.767 1.00 1.16 C ATOM 1512 OD1 ASP A 112 17.682 -0.730 5.265 1.00 1.71 O ATOM 1513 OD2 ASP A 112 17.845 0.947 3.871 1.00 2.04 O ATOM 0 H ASP A 112 15.614 2.139 3.158 1.00 0.47 H new ATOM 0 HA ASP A 112 14.811 -0.413 3.940 1.00 0.49 H new ATOM 0 HB2 ASP A 112 16.012 1.945 5.434 1.00 0.60 H new ATOM 0 HB3 ASP A 112 15.691 0.421 6.238 1.00 0.60 H new ATOM 1518 N GLU A 113 12.872 1.964 5.037 1.00 0.43 N ATOM 1519 CA GLU A 113 11.606 2.214 5.708 1.00 0.45 C ATOM 1520 C GLU A 113 10.479 1.451 5.023 1.00 0.37 C ATOM 1521 O GLU A 113 9.617 0.877 5.684 1.00 0.40 O ATOM 1522 CB GLU A 113 11.286 3.705 5.719 1.00 0.57 C ATOM 1523 CG GLU A 113 12.321 4.549 6.439 1.00 0.78 C ATOM 1524 CD GLU A 113 11.944 6.011 6.461 1.00 1.46 C ATOM 1525 OE1 GLU A 113 12.047 6.665 5.408 1.00 2.21 O ATOM 1526 OE2 GLU A 113 11.534 6.512 7.531 1.00 2.13 O ATOM 0 H GLU A 113 13.272 2.777 4.568 1.00 0.43 H new ATOM 0 HA GLU A 113 11.696 1.867 6.737 1.00 0.45 H new ATOM 0 HB2 GLU A 113 11.197 4.055 4.691 1.00 0.57 H new ATOM 0 HB3 GLU A 113 10.316 3.855 6.192 1.00 0.57 H new ATOM 0 HG2 GLU A 113 12.435 4.189 7.461 1.00 0.78 H new ATOM 0 HG3 GLU A 113 13.288 4.431 5.950 1.00 0.78 H new ATOM 1533 N ALA A 114 10.512 1.431 3.695 1.00 0.37 N ATOM 1534 CA ALA A 114 9.485 0.758 2.911 1.00 0.39 C ATOM 1535 C ALA A 114 9.425 -0.725 3.254 1.00 0.36 C ATOM 1536 O ALA A 114 8.362 -1.258 3.572 1.00 0.38 O ATOM 1537 CB ALA A 114 9.746 0.950 1.425 1.00 0.48 C ATOM 0 H ALA A 114 11.242 1.875 3.138 1.00 0.37 H new ATOM 0 HA ALA A 114 8.520 1.202 3.157 1.00 0.39 H new ATOM 0 HB1 ALA A 114 8.971 0.442 0.851 1.00 0.48 H new ATOM 0 HB2 ALA A 114 9.735 2.014 1.188 1.00 0.48 H new ATOM 0 HB3 ALA A 114 10.720 0.532 1.170 1.00 0.48 H new ATOM 1543 N LYS A 115 10.578 -1.384 3.221 1.00 0.38 N ATOM 1544 CA LYS A 115 10.643 -2.806 3.527 1.00 0.45 C ATOM 1545 C LYS A 115 10.369 -3.062 5.008 1.00 0.39 C ATOM 1546 O LYS A 115 9.866 -4.124 5.379 1.00 0.44 O ATOM 1547 CB LYS A 115 11.988 -3.406 3.089 1.00 0.57 C ATOM 1548 CG LYS A 115 13.221 -2.682 3.596 1.00 0.75 C ATOM 1549 CD LYS A 115 14.481 -3.371 3.089 1.00 0.77 C ATOM 1550 CE LYS A 115 15.724 -2.529 3.313 1.00 1.22 C ATOM 1551 NZ LYS A 115 16.955 -3.221 2.851 1.00 1.53 N ATOM 0 H LYS A 115 11.475 -0.958 2.987 1.00 0.38 H new ATOM 0 HA LYS A 115 9.861 -3.309 2.958 1.00 0.45 H new ATOM 0 HB2 LYS A 115 12.031 -4.442 3.426 1.00 0.57 H new ATOM 0 HB3 LYS A 115 12.021 -3.424 2.000 1.00 0.57 H new ATOM 0 HG2 LYS A 115 13.206 -1.645 3.262 1.00 0.75 H new ATOM 0 HG3 LYS A 115 13.220 -2.666 4.686 1.00 0.75 H new ATOM 0 HD2 LYS A 115 14.597 -4.330 3.595 1.00 0.77 H new ATOM 0 HD3 LYS A 115 14.374 -3.583 2.025 1.00 0.77 H new ATOM 0 HE2 LYS A 115 15.620 -1.582 2.784 1.00 1.22 H new ATOM 0 HE3 LYS A 115 15.816 -2.294 4.373 1.00 1.22 H new ATOM 0 HZ1 LYS A 115 17.786 -2.795 3.309 1.00 1.53 H new ATOM 0 HZ2 LYS A 115 16.901 -4.229 3.101 1.00 1.53 H new ATOM 0 HZ3 LYS A 115 17.041 -3.124 1.819 1.00 1.53 H new ATOM 1565 N ARG A 116 10.684 -2.079 5.844 1.00 0.36 N ATOM 1566 CA ARG A 116 10.374 -2.146 7.269 1.00 0.39 C ATOM 1567 C ARG A 116 8.863 -2.232 7.487 1.00 0.35 C ATOM 1568 O ARG A 116 8.380 -3.082 8.236 1.00 0.42 O ATOM 1569 CB ARG A 116 10.936 -0.913 7.987 1.00 0.50 C ATOM 1570 CG ARG A 116 10.565 -0.822 9.460 1.00 1.14 C ATOM 1571 CD ARG A 116 11.196 -1.937 10.276 1.00 1.65 C ATOM 1572 NE ARG A 116 10.902 -1.798 11.703 1.00 2.40 N ATOM 1573 CZ ARG A 116 11.053 -2.772 12.599 1.00 3.29 C ATOM 1574 NH1 ARG A 116 11.496 -3.966 12.226 1.00 3.61 N ATOM 1575 NH2 ARG A 116 10.765 -2.546 13.875 1.00 4.21 N ATOM 0 H ARG A 116 11.156 -1.221 5.558 1.00 0.36 H new ATOM 0 HA ARG A 116 10.836 -3.043 7.682 1.00 0.39 H new ATOM 0 HB2 ARG A 116 12.022 -0.919 7.898 1.00 0.50 H new ATOM 0 HB3 ARG A 116 10.579 -0.017 7.479 1.00 0.50 H new ATOM 0 HG2 ARG A 116 10.885 0.142 9.855 1.00 1.14 H new ATOM 0 HG3 ARG A 116 9.481 -0.866 9.564 1.00 1.14 H new ATOM 0 HD2 ARG A 116 10.829 -2.900 9.921 1.00 1.65 H new ATOM 0 HD3 ARG A 116 12.275 -1.932 10.125 1.00 1.65 H new ATOM 0 HE ARG A 116 10.559 -0.896 12.033 1.00 2.40 H new ATOM 0 HH11 ARG A 116 11.723 -4.143 11.248 1.00 3.61 H new ATOM 0 HH12 ARG A 116 11.609 -4.707 12.918 1.00 3.61 H new ATOM 0 HH21 ARG A 116 10.429 -1.628 14.167 1.00 4.21 H new ATOM 0 HH22 ARG A 116 10.880 -3.290 14.563 1.00 4.21 H new ATOM 1589 N TRP A 117 8.122 -1.355 6.816 1.00 0.31 N ATOM 1590 CA TRP A 117 6.672 -1.310 6.968 1.00 0.32 C ATOM 1591 C TRP A 117 6.010 -2.558 6.410 1.00 0.30 C ATOM 1592 O TRP A 117 5.000 -3.011 6.936 1.00 0.36 O ATOM 1593 CB TRP A 117 6.088 -0.068 6.298 1.00 0.36 C ATOM 1594 CG TRP A 117 6.439 1.200 7.008 1.00 0.40 C ATOM 1595 CD1 TRP A 117 7.119 2.264 6.497 1.00 0.47 C ATOM 1596 CD2 TRP A 117 6.133 1.531 8.366 1.00 0.56 C ATOM 1597 NE1 TRP A 117 7.257 3.238 7.453 1.00 0.53 N ATOM 1598 CE2 TRP A 117 6.657 2.813 8.610 1.00 0.60 C ATOM 1599 CE3 TRP A 117 5.464 0.869 9.399 1.00 0.76 C ATOM 1600 CZ2 TRP A 117 6.537 3.443 9.845 1.00 0.80 C ATOM 1601 CZ3 TRP A 117 5.345 1.495 10.623 1.00 0.98 C ATOM 1602 CH2 TRP A 117 5.877 2.772 10.836 1.00 0.99 C ATOM 0 H TRP A 117 8.501 -0.668 6.164 1.00 0.31 H new ATOM 0 HA TRP A 117 6.465 -1.264 8.037 1.00 0.32 H new ATOM 0 HB2 TRP A 117 6.447 -0.014 5.270 1.00 0.36 H new ATOM 0 HB3 TRP A 117 5.003 -0.163 6.252 1.00 0.36 H new ATOM 0 HD1 TRP A 117 7.495 2.331 5.487 1.00 0.47 H new ATOM 0 HE1 TRP A 117 7.729 4.133 7.324 1.00 0.53 H new ATOM 0 HE3 TRP A 117 5.048 -0.115 9.242 1.00 0.76 H new ATOM 0 HZ2 TRP A 117 6.950 4.426 10.014 1.00 0.80 H new ATOM 0 HZ3 TRP A 117 4.833 0.991 11.430 1.00 0.98 H new ATOM 0 HH2 TRP A 117 5.764 3.237 11.804 1.00 0.99 H new ATOM 1613 N ILE A 118 6.580 -3.116 5.352 1.00 0.29 N ATOM 1614 CA ILE A 118 6.048 -4.338 4.765 1.00 0.32 C ATOM 1615 C ILE A 118 6.094 -5.478 5.776 1.00 0.36 C ATOM 1616 O ILE A 118 5.141 -6.246 5.907 1.00 0.40 O ATOM 1617 CB ILE A 118 6.820 -4.730 3.489 1.00 0.41 C ATOM 1618 CG1 ILE A 118 6.630 -3.649 2.426 1.00 0.44 C ATOM 1619 CG2 ILE A 118 6.357 -6.086 2.967 1.00 0.51 C ATOM 1620 CD1 ILE A 118 7.413 -3.897 1.160 1.00 0.57 C ATOM 0 H ILE A 118 7.407 -2.745 4.884 1.00 0.29 H new ATOM 0 HA ILE A 118 5.011 -4.149 4.489 1.00 0.32 H new ATOM 0 HB ILE A 118 7.880 -4.813 3.729 1.00 0.41 H new ATOM 0 HG12 ILE A 118 5.571 -3.577 2.179 1.00 0.44 H new ATOM 0 HG13 ILE A 118 6.926 -2.686 2.843 1.00 0.44 H new ATOM 0 HG21 ILE A 118 6.917 -6.340 2.067 1.00 0.51 H new ATOM 0 HG22 ILE A 118 6.530 -6.847 3.728 1.00 0.51 H new ATOM 0 HG23 ILE A 118 5.293 -6.042 2.733 1.00 0.51 H new ATOM 0 HD11 ILE A 118 7.228 -3.088 0.453 1.00 0.57 H new ATOM 0 HD12 ILE A 118 8.477 -3.939 1.393 1.00 0.57 H new ATOM 0 HD13 ILE A 118 7.101 -4.843 0.719 1.00 0.57 H new ATOM 1632 N LYS A 119 7.194 -5.562 6.509 1.00 0.41 N ATOM 1633 CA LYS A 119 7.340 -6.557 7.564 1.00 0.53 C ATOM 1634 C LYS A 119 6.367 -6.280 8.705 1.00 0.55 C ATOM 1635 O LYS A 119 5.738 -7.194 9.239 1.00 0.67 O ATOM 1636 CB LYS A 119 8.776 -6.555 8.088 1.00 0.63 C ATOM 1637 CG LYS A 119 9.789 -7.101 7.096 1.00 1.09 C ATOM 1638 CD LYS A 119 9.614 -8.596 6.903 1.00 1.34 C ATOM 1639 CE LYS A 119 10.631 -9.161 5.928 1.00 2.05 C ATOM 1640 NZ LYS A 119 10.539 -10.641 5.831 1.00 2.66 N ATOM 0 H LYS A 119 8.002 -4.951 6.393 1.00 0.41 H new ATOM 0 HA LYS A 119 7.112 -7.538 7.148 1.00 0.53 H new ATOM 0 HB2 LYS A 119 9.055 -5.535 8.354 1.00 0.63 H new ATOM 0 HB3 LYS A 119 8.821 -7.147 9.002 1.00 0.63 H new ATOM 0 HG2 LYS A 119 9.676 -6.592 6.139 1.00 1.09 H new ATOM 0 HG3 LYS A 119 10.798 -6.893 7.451 1.00 1.09 H new ATOM 0 HD2 LYS A 119 9.712 -9.101 7.864 1.00 1.34 H new ATOM 0 HD3 LYS A 119 8.608 -8.800 6.537 1.00 1.34 H new ATOM 0 HE2 LYS A 119 10.473 -8.722 4.943 1.00 2.05 H new ATOM 0 HE3 LYS A 119 11.635 -8.879 6.246 1.00 2.05 H new ATOM 0 HZ1 LYS A 119 11.249 -10.989 5.156 1.00 2.66 H new ATOM 0 HZ2 LYS A 119 10.714 -11.062 6.766 1.00 2.66 H new ATOM 0 HZ3 LYS A 119 9.589 -10.909 5.503 1.00 2.66 H new ATOM 1654 N GLU A 120 6.234 -5.008 9.053 1.00 0.51 N ATOM 1655 CA GLU A 120 5.363 -4.588 10.143 1.00 0.63 C ATOM 1656 C GLU A 120 3.888 -4.770 9.770 1.00 0.60 C ATOM 1657 O GLU A 120 3.025 -4.873 10.637 1.00 0.79 O ATOM 1658 CB GLU A 120 5.652 -3.123 10.490 1.00 0.71 C ATOM 1659 CG GLU A 120 4.974 -2.635 11.761 1.00 1.43 C ATOM 1660 CD GLU A 120 5.404 -3.416 12.984 1.00 1.83 C ATOM 1661 OE1 GLU A 120 4.673 -4.341 13.392 1.00 2.48 O ATOM 1662 OE2 GLU A 120 6.476 -3.112 13.546 1.00 2.33 O ATOM 0 H GLU A 120 6.723 -4.241 8.591 1.00 0.51 H new ATOM 0 HA GLU A 120 5.564 -5.212 11.014 1.00 0.63 H new ATOM 0 HB2 GLU A 120 6.729 -2.992 10.594 1.00 0.71 H new ATOM 0 HB3 GLU A 120 5.333 -2.495 9.658 1.00 0.71 H new ATOM 0 HG2 GLU A 120 5.203 -1.580 11.909 1.00 1.43 H new ATOM 0 HG3 GLU A 120 3.893 -2.713 11.645 1.00 1.43 H new ATOM 1669 N PHE A 121 3.609 -4.795 8.478 1.00 0.44 N ATOM 1670 CA PHE A 121 2.248 -4.947 7.983 1.00 0.43 C ATOM 1671 C PHE A 121 1.884 -6.412 7.760 1.00 0.46 C ATOM 1672 O PHE A 121 0.832 -6.867 8.206 1.00 0.54 O ATOM 1673 CB PHE A 121 2.085 -4.161 6.682 1.00 0.38 C ATOM 1674 CG PHE A 121 0.740 -4.316 6.028 1.00 0.43 C ATOM 1675 CD1 PHE A 121 -0.390 -3.749 6.595 1.00 1.37 C ATOM 1676 CD2 PHE A 121 0.610 -5.019 4.840 1.00 1.19 C ATOM 1677 CE1 PHE A 121 -1.625 -3.882 5.990 1.00 1.43 C ATOM 1678 CE2 PHE A 121 -0.621 -5.156 4.231 1.00 1.23 C ATOM 1679 CZ PHE A 121 -1.739 -4.588 4.807 1.00 0.67 C ATOM 0 H PHE A 121 4.313 -4.711 7.745 1.00 0.44 H new ATOM 0 HA PHE A 121 1.569 -4.554 8.740 1.00 0.43 H new ATOM 0 HB2 PHE A 121 2.257 -3.104 6.886 1.00 0.38 H new ATOM 0 HB3 PHE A 121 2.856 -4.479 5.980 1.00 0.38 H new ATOM 0 HD1 PHE A 121 -0.305 -3.197 7.520 1.00 1.37 H new ATOM 0 HD2 PHE A 121 1.483 -5.465 4.386 1.00 1.19 H new ATOM 0 HE1 PHE A 121 -2.499 -3.435 6.440 1.00 1.43 H new ATOM 0 HE2 PHE A 121 -0.709 -5.706 3.306 1.00 1.23 H new ATOM 0 HZ PHE A 121 -2.704 -4.695 4.333 1.00 0.67 H new ATOM 1689 N SER A 122 2.756 -7.140 7.065 1.00 0.44 N ATOM 1690 CA SER A 122 2.460 -8.509 6.649 1.00 0.50 C ATOM 1691 C SER A 122 2.205 -9.430 7.843 1.00 0.58 C ATOM 1692 O SER A 122 1.094 -9.927 8.017 1.00 0.80 O ATOM 1693 CB SER A 122 3.590 -9.056 5.772 1.00 0.57 C ATOM 1694 OG SER A 122 4.862 -8.840 6.369 1.00 1.31 O ATOM 0 H SER A 122 3.675 -6.804 6.778 1.00 0.44 H new ATOM 0 HA SER A 122 1.541 -8.482 6.064 1.00 0.50 H new ATOM 0 HB2 SER A 122 3.440 -10.123 5.607 1.00 0.57 H new ATOM 0 HB3 SER A 122 3.559 -8.575 4.794 1.00 0.57 H new ATOM 0 HG SER A 122 5.254 -8.015 6.013 1.00 1.31 H new ATOM 1700 N GLU A 123 3.224 -9.662 8.660 1.00 0.63 N ATOM 1701 CA GLU A 123 3.057 -10.513 9.828 1.00 0.81 C ATOM 1702 C GLU A 123 2.507 -9.705 10.997 1.00 0.92 C ATOM 1703 O GLU A 123 1.721 -10.217 11.796 1.00 1.44 O ATOM 1704 CB GLU A 123 4.374 -11.195 10.219 1.00 1.25 C ATOM 1705 CG GLU A 123 5.488 -10.237 10.611 1.00 1.57 C ATOM 1706 CD GLU A 123 6.703 -10.956 11.156 1.00 1.91 C ATOM 1707 OE1 GLU A 123 7.652 -11.202 10.383 1.00 2.53 O ATOM 1708 OE2 GLU A 123 6.715 -11.285 12.361 1.00 2.37 O ATOM 0 H GLU A 123 4.161 -9.279 8.538 1.00 0.63 H new ATOM 0 HA GLU A 123 2.342 -11.295 9.572 1.00 0.81 H new ATOM 0 HB2 GLU A 123 4.185 -11.872 11.052 1.00 1.25 H new ATOM 0 HB3 GLU A 123 4.715 -11.806 9.383 1.00 1.25 H new ATOM 0 HG2 GLU A 123 5.778 -9.647 9.742 1.00 1.57 H new ATOM 0 HG3 GLU A 123 5.116 -9.539 11.361 1.00 1.57 H new