USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 721 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 41 SER OG : rot -80:sc= 1.25 USER MOD Set 1.2: A 42 HIS : no HD1:sc= 0.604 K(o=1.9,f=-6.3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 175:sc= -0.127 (180deg=-0.168) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HE2:sc= -0.0661 K(o=-0.066,f=-1.2) USER MOD Single : A 6 HIS : no HD1:sc= -0.992 K(o=-0.99,f=-2.1!) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.343 X(o=-0.34,f=-0.47) USER MOD Single : A 9 SER OG : rot 180:sc= -0.117 USER MOD Single : A 10 HIS : no HD1:sc= -0.265 X(o=-0.27,f=-0.0062) USER MOD Single : A 11 MET CE :methyl -132:sc= -2.44! (180deg=-4.08!) USER MOD Single : A 13 THR OG1 : rot 160:sc= 0.255 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.0601 X(o=-0.06,f=-0.3) USER MOD Single : A 17 LYS NZ :NH3+ -119:sc= 0.931 (180deg=-0.835) USER MOD Single : A 18 ASN :FLIP amide:sc= -0.0359 F(o=-1.1,f=-0.036) USER MOD Single : A 21 MET CE :methyl -176:sc= -0.0336 (180deg=-0.117) USER MOD Single : A 24 ASN : amide:sc= -0.731 K(o=-0.73,f=-3.2!) USER MOD Single : A 26 LYS NZ :NH3+ -164:sc= -0.0169 (180deg=-0.367) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 70:sc= -0.677 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 130:sc= 0.464! USER MOD Single : A 44 LYS NZ :NH3+ -146:sc= -1.97! (180deg=-3.86!) USER MOD Single : A 48 MET CE :methyl -171:sc= -0.204 (180deg=-0.461) USER MOD Single : A 55 GLN :FLIP amide:sc= -0.266 F(o=-2!,f=-0.27) USER MOD Single : A 56 LYS NZ :NH3+ -159:sc= -0.0745 (180deg=-0.732) USER MOD Single : A 58 GLN : amide:sc= 0.387 K(o=0.39,f=-0.52) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.538 K(o=-0.54,f=-6.7!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0405) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.573 26.250 23.246 1.00 42.24 N ATOM 2 CA MET A 1 11.627 26.505 22.124 1.00 33.32 C ATOM 3 C MET A 1 10.833 25.242 21.725 1.00 13.31 C ATOM 4 O MET A 1 9.889 25.326 20.940 1.00 22.40 O ATOM 5 CB MET A 1 12.387 27.040 20.898 1.00 34.22 C ATOM 6 CG MET A 1 13.425 26.072 20.347 1.00 22.21 C ATOM 7 SD MET A 1 14.295 26.727 18.910 1.00 22.52 S ATOM 8 CE MET A 1 15.438 25.394 18.552 1.00 72.30 C ATOM 0 H1 MET A 1 13.142 27.103 23.421 1.00 42.24 H new ATOM 0 H2 MET A 1 12.037 26.009 24.104 1.00 42.24 H new ATOM 0 H3 MET A 1 13.202 25.460 22.997 1.00 42.24 H new ATOM 0 HA MET A 1 10.913 27.250 22.475 1.00 33.32 H new ATOM 0 HB2 MET A 1 11.670 27.275 20.112 1.00 34.22 H new ATOM 0 HB3 MET A 1 12.881 27.973 21.168 1.00 34.22 H new ATOM 0 HG2 MET A 1 14.148 25.838 21.128 1.00 22.21 H new ATOM 0 HG3 MET A 1 12.935 25.137 20.075 1.00 22.21 H new ATOM 0 HE1 MET A 1 16.044 25.657 17.685 1.00 72.30 H new ATOM 0 HE2 MET A 1 16.087 25.230 19.412 1.00 72.30 H new ATOM 0 HE3 MET A 1 14.879 24.482 18.340 1.00 72.30 H new ATOM 20 N GLY A 2 11.211 24.074 22.259 1.00 71.43 N ATOM 21 CA GLY A 2 10.525 22.831 21.895 1.00 11.02 C ATOM 22 C GLY A 2 10.853 21.659 22.823 1.00 72.54 C ATOM 23 O GLY A 2 11.983 21.527 23.293 1.00 24.02 O ATOM 0 H GLY A 2 11.971 23.965 22.930 1.00 71.43 H new ATOM 0 HA2 GLY A 2 9.449 23.003 21.906 1.00 11.02 H new ATOM 0 HA3 GLY A 2 10.795 22.562 20.874 1.00 11.02 H new ATOM 27 N HIS A 3 9.858 20.808 23.090 1.00 1.13 N ATOM 28 CA HIS A 3 10.038 19.625 23.955 1.00 54.55 C ATOM 29 C HIS A 3 9.323 18.385 23.388 1.00 2.30 C ATOM 30 O HIS A 3 9.907 17.304 23.291 1.00 0.23 O ATOM 31 CB HIS A 3 9.524 19.915 25.376 1.00 50.00 C ATOM 32 CG HIS A 3 10.400 20.845 26.157 1.00 12.14 C ATOM 33 ND1 HIS A 3 11.369 20.403 27.031 1.00 0.15 N ATOM 34 CD2 HIS A 3 10.450 22.197 26.202 1.00 63.52 C ATOM 35 CE1 HIS A 3 11.972 21.436 27.579 1.00 12.31 C ATOM 36 NE2 HIS A 3 11.435 22.536 27.094 1.00 34.42 N ATOM 0 H HIS A 3 8.913 20.912 22.720 1.00 1.13 H new ATOM 0 HA HIS A 3 11.106 19.411 23.991 1.00 54.55 H new ATOM 0 HB2 HIS A 3 8.523 20.342 25.310 1.00 50.00 H new ATOM 0 HB3 HIS A 3 9.434 18.974 25.919 1.00 50.00 H new ATOM 0 HD2 HIS A 3 9.830 22.881 25.641 1.00 63.52 H new ATOM 0 HE1 HIS A 3 12.772 21.390 28.304 1.00 12.31 H new ATOM 0 HE2 HIS A 3 11.708 23.487 27.342 1.00 34.42 H new ATOM 45 N HIS A 4 8.054 18.547 23.022 1.00 74.21 N ATOM 46 CA HIS A 4 7.244 17.440 22.493 1.00 30.01 C ATOM 47 C HIS A 4 7.344 17.324 20.964 1.00 10.42 C ATOM 48 O HIS A 4 7.552 18.315 20.259 1.00 33.24 O ATOM 49 CB HIS A 4 5.772 17.617 22.897 1.00 3.11 C ATOM 50 CG HIS A 4 5.496 17.307 24.337 1.00 44.51 C ATOM 51 ND1 HIS A 4 5.485 18.262 25.332 1.00 74.34 N ATOM 52 CD2 HIS A 4 5.203 16.133 24.946 1.00 42.12 C ATOM 53 CE1 HIS A 4 5.200 17.689 26.484 1.00 73.41 C ATOM 54 NE2 HIS A 4 5.024 16.401 26.279 1.00 1.03 N ATOM 0 H HIS A 4 7.558 19.436 23.080 1.00 74.21 H new ATOM 0 HA HIS A 4 7.640 16.521 22.925 1.00 30.01 H new ATOM 0 HB2 HIS A 4 5.470 18.644 22.692 1.00 3.11 H new ATOM 0 HB3 HIS A 4 5.154 16.973 22.272 1.00 3.11 H new ATOM 0 HD2 HIS A 4 5.125 15.166 24.471 1.00 42.12 H new ATOM 0 HE1 HIS A 4 5.124 18.192 27.437 1.00 73.41 H new ATOM 0 HE2 HIS A 4 4.792 15.713 26.996 1.00 1.03 H new ATOM 63 N HIS A 5 7.198 16.101 20.469 1.00 61.32 N ATOM 64 CA HIS A 5 7.158 15.831 19.030 1.00 51.43 C ATOM 65 C HIS A 5 6.200 14.662 18.741 1.00 43.12 C ATOM 66 O HIS A 5 6.626 13.540 18.459 1.00 54.21 O ATOM 67 CB HIS A 5 8.568 15.517 18.503 1.00 74.44 C ATOM 68 CG HIS A 5 8.636 15.383 17.010 1.00 22.04 C ATOM 69 ND1 HIS A 5 8.337 14.215 16.343 1.00 21.13 N ATOM 70 CD2 HIS A 5 8.967 16.284 16.052 1.00 44.30 C ATOM 71 CE1 HIS A 5 8.481 14.398 15.047 1.00 12.11 C ATOM 72 NE2 HIS A 5 8.860 15.643 14.843 1.00 53.53 N ATOM 0 H HIS A 5 7.104 15.267 21.049 1.00 61.32 H new ATOM 0 HA HIS A 5 6.791 16.719 18.515 1.00 51.43 H new ATOM 0 HB2 HIS A 5 9.249 16.307 18.820 1.00 74.44 H new ATOM 0 HB3 HIS A 5 8.919 14.591 18.959 1.00 74.44 H new ATOM 0 HD1 HIS A 5 8.048 13.342 16.785 1.00 21.13 H new ATOM 0 HD2 HIS A 5 9.259 17.312 16.210 1.00 44.30 H new ATOM 0 HE1 HIS A 5 8.316 13.654 14.282 1.00 12.11 H new ATOM 81 N HIS A 6 4.901 14.931 18.839 1.00 2.23 N ATOM 82 CA HIS A 6 3.881 13.883 18.735 1.00 63.32 C ATOM 83 C HIS A 6 2.656 14.342 17.924 1.00 23.41 C ATOM 84 O HIS A 6 1.984 15.310 18.281 1.00 53.22 O ATOM 85 CB HIS A 6 3.441 13.457 20.142 1.00 52.01 C ATOM 86 CG HIS A 6 2.386 12.395 20.147 1.00 31.12 C ATOM 87 ND1 HIS A 6 1.050 12.657 20.378 1.00 52.34 N ATOM 88 CD2 HIS A 6 2.470 11.061 19.940 1.00 35.24 C ATOM 89 CE1 HIS A 6 0.365 11.534 20.312 1.00 11.20 C ATOM 90 NE2 HIS A 6 1.200 10.553 20.046 1.00 23.44 N ATOM 0 H HIS A 6 4.526 15.867 18.991 1.00 2.23 H new ATOM 0 HA HIS A 6 4.325 13.039 18.206 1.00 63.32 H new ATOM 0 HB2 HIS A 6 4.310 13.096 20.691 1.00 52.01 H new ATOM 0 HB3 HIS A 6 3.067 14.331 20.676 1.00 52.01 H new ATOM 0 HD2 HIS A 6 3.369 10.500 19.730 1.00 35.24 H new ATOM 0 HE1 HIS A 6 -0.701 11.435 20.452 1.00 11.20 H new ATOM 0 HE2 HIS A 6 0.944 9.572 19.936 1.00 23.44 H new ATOM 99 N HIS A 7 2.371 13.636 16.831 1.00 72.55 N ATOM 100 CA HIS A 7 1.168 13.892 16.026 1.00 33.24 C ATOM 101 C HIS A 7 0.210 12.689 16.064 1.00 32.12 C ATOM 102 O HIS A 7 -0.950 12.826 16.453 1.00 62.13 O ATOM 103 CB HIS A 7 1.553 14.228 14.580 1.00 4.13 C ATOM 104 CG HIS A 7 2.339 15.499 14.453 1.00 25.03 C ATOM 105 ND1 HIS A 7 1.776 16.697 14.070 1.00 62.32 N ATOM 106 CD2 HIS A 7 3.653 15.762 14.670 1.00 72.42 C ATOM 107 CE1 HIS A 7 2.700 17.636 14.058 1.00 71.03 C ATOM 108 NE2 HIS A 7 3.845 17.097 14.420 1.00 71.34 N ATOM 0 H HIS A 7 2.956 12.879 16.478 1.00 72.55 H new ATOM 0 HA HIS A 7 0.649 14.748 16.456 1.00 33.24 H new ATOM 0 HB2 HIS A 7 2.137 13.406 14.167 1.00 4.13 H new ATOM 0 HB3 HIS A 7 0.647 14.308 13.980 1.00 4.13 H new ATOM 0 HD2 HIS A 7 4.406 15.053 14.981 1.00 72.42 H new ATOM 0 HE1 HIS A 7 2.544 18.672 13.796 1.00 71.03 H new ATOM 0 HE2 HIS A 7 4.733 17.593 14.502 1.00 71.34 H new ATOM 117 N HIS A 8 0.701 11.521 15.631 1.00 1.30 N ATOM 118 CA HIS A 8 -0.040 10.248 15.749 1.00 71.22 C ATOM 119 C HIS A 8 -1.265 10.165 14.806 1.00 4.01 C ATOM 120 O HIS A 8 -1.939 9.135 14.747 1.00 3.10 O ATOM 121 CB HIS A 8 -0.474 10.023 17.210 1.00 14.31 C ATOM 122 CG HIS A 8 -1.190 8.727 17.449 1.00 24.34 C ATOM 123 ND1 HIS A 8 -2.556 8.641 17.601 1.00 61.32 N ATOM 124 CD2 HIS A 8 -0.725 7.459 17.561 1.00 44.22 C ATOM 125 CE1 HIS A 8 -2.901 7.386 17.796 1.00 12.44 C ATOM 126 NE2 HIS A 8 -1.811 6.647 17.776 1.00 61.23 N ATOM 0 H HIS A 8 1.616 11.426 15.191 1.00 1.30 H new ATOM 0 HA HIS A 8 0.643 9.457 15.439 1.00 71.22 H new ATOM 0 HB2 HIS A 8 0.409 10.060 17.849 1.00 14.31 H new ATOM 0 HB3 HIS A 8 -1.123 10.844 17.515 1.00 14.31 H new ATOM 0 HD2 HIS A 8 0.306 7.146 17.494 1.00 44.22 H new ATOM 0 HE1 HIS A 8 -3.907 7.024 17.947 1.00 12.44 H new ATOM 0 HE2 HIS A 8 -1.779 5.635 17.900 1.00 61.23 H new ATOM 135 N SER A 9 -1.553 11.237 14.072 1.00 42.02 N ATOM 136 CA SER A 9 -2.711 11.256 13.163 1.00 13.41 C ATOM 137 C SER A 9 -2.376 10.636 11.796 1.00 14.25 C ATOM 138 O SER A 9 -1.231 10.270 11.522 1.00 31.13 O ATOM 139 CB SER A 9 -3.232 12.688 12.971 1.00 34.42 C ATOM 140 OG SER A 9 -4.398 12.703 12.160 1.00 41.45 O ATOM 0 H SER A 9 -1.010 12.100 14.083 1.00 42.02 H new ATOM 0 HA SER A 9 -3.490 10.651 13.627 1.00 13.41 H new ATOM 0 HB2 SER A 9 -3.455 13.131 13.942 1.00 34.42 H new ATOM 0 HB3 SER A 9 -2.457 13.302 12.511 1.00 34.42 H new ATOM 0 HG SER A 9 -4.711 13.626 12.054 1.00 41.45 H new ATOM 146 N HIS A 10 -3.385 10.535 10.933 1.00 61.12 N ATOM 147 CA HIS A 10 -3.230 9.896 9.622 1.00 60.23 C ATOM 148 C HIS A 10 -2.836 10.919 8.544 1.00 11.04 C ATOM 149 O HIS A 10 -3.062 12.120 8.697 1.00 25.23 O ATOM 150 CB HIS A 10 -4.538 9.201 9.220 1.00 20.25 C ATOM 151 CG HIS A 10 -4.973 8.119 10.167 1.00 64.24 C ATOM 152 ND1 HIS A 10 -5.188 6.814 9.774 1.00 42.04 N ATOM 153 CD2 HIS A 10 -5.251 8.153 11.494 1.00 1.15 C ATOM 154 CE1 HIS A 10 -5.572 6.099 10.812 1.00 63.43 C ATOM 155 NE2 HIS A 10 -5.620 6.884 11.866 1.00 63.32 N ATOM 0 H HIS A 10 -4.324 10.888 11.117 1.00 61.12 H new ATOM 0 HA HIS A 10 -2.431 9.158 9.701 1.00 60.23 H new ATOM 0 HB2 HIS A 10 -5.328 9.949 9.152 1.00 20.25 H new ATOM 0 HB3 HIS A 10 -4.418 8.772 8.225 1.00 20.25 H new ATOM 0 HD2 HIS A 10 -5.193 9.018 12.138 1.00 1.15 H new ATOM 0 HE1 HIS A 10 -5.808 5.045 10.799 1.00 63.43 H new ATOM 0 HE2 HIS A 10 -5.888 6.597 12.807 1.00 63.32 H new ATOM 164 N MET A 11 -2.234 10.435 7.460 1.00 2.25 N ATOM 165 CA MET A 11 -1.887 11.291 6.321 1.00 24.22 C ATOM 166 C MET A 11 -2.918 11.148 5.191 1.00 45.32 C ATOM 167 O MET A 11 -3.540 10.090 5.026 1.00 74.44 O ATOM 168 CB MET A 11 -0.487 10.947 5.790 1.00 12.55 C ATOM 169 CG MET A 11 0.605 10.958 6.855 1.00 31.14 C ATOM 170 SD MET A 11 0.486 9.555 7.986 1.00 45.41 S ATOM 171 CE MET A 11 0.729 8.185 6.854 1.00 52.33 C ATOM 0 H MET A 11 -1.975 9.455 7.343 1.00 2.25 H new ATOM 0 HA MET A 11 -1.891 12.324 6.670 1.00 24.22 H new ATOM 0 HB2 MET A 11 -0.518 9.960 5.328 1.00 12.55 H new ATOM 0 HB3 MET A 11 -0.223 11.658 5.007 1.00 12.55 H new ATOM 0 HG2 MET A 11 1.581 10.947 6.370 1.00 31.14 H new ATOM 0 HG3 MET A 11 0.543 11.885 7.424 1.00 31.14 H new ATOM 0 HE1 MET A 11 -0.039 7.431 7.025 1.00 52.33 H new ATOM 0 HE2 MET A 11 0.661 8.545 5.827 1.00 52.33 H new ATOM 0 HE3 MET A 11 1.713 7.746 7.020 1.00 52.33 H new ATOM 181 N LEU A 12 -3.105 12.216 4.418 1.00 75.41 N ATOM 182 CA LEU A 12 -4.019 12.191 3.269 1.00 35.15 C ATOM 183 C LEU A 12 -3.246 12.170 1.940 1.00 13.14 C ATOM 184 O LEU A 12 -2.024 12.029 1.917 1.00 54.14 O ATOM 185 CB LEU A 12 -4.971 13.399 3.313 1.00 73.12 C ATOM 186 CG LEU A 12 -5.909 13.455 4.531 1.00 64.23 C ATOM 187 CD1 LEU A 12 -6.823 14.678 4.458 1.00 41.32 C ATOM 188 CD2 LEU A 12 -6.732 12.172 4.640 1.00 24.01 C ATOM 0 H LEU A 12 -2.638 13.111 4.563 1.00 75.41 H new ATOM 0 HA LEU A 12 -4.607 11.275 3.331 1.00 35.15 H new ATOM 0 HB2 LEU A 12 -4.375 14.311 3.293 1.00 73.12 H new ATOM 0 HB3 LEU A 12 -5.578 13.395 2.408 1.00 73.12 H new ATOM 0 HG LEU A 12 -5.295 13.543 5.427 1.00 64.23 H new ATOM 0 HD11 LEU A 12 -7.477 14.696 5.330 1.00 41.32 H new ATOM 0 HD12 LEU A 12 -6.218 15.584 4.440 1.00 41.32 H new ATOM 0 HD13 LEU A 12 -7.427 14.627 3.552 1.00 41.32 H new ATOM 0 HD21 LEU A 12 -7.388 12.233 5.508 1.00 24.01 H new ATOM 0 HD22 LEU A 12 -7.333 12.047 3.739 1.00 24.01 H new ATOM 0 HD23 LEU A 12 -6.063 11.319 4.751 1.00 24.01 H new ATOM 200 N THR A 13 -3.973 12.296 0.836 1.00 1.12 N ATOM 201 CA THR A 13 -3.369 12.277 -0.501 1.00 43.33 C ATOM 202 C THR A 13 -4.166 13.181 -1.460 1.00 21.01 C ATOM 203 O THR A 13 -4.581 14.271 -1.066 1.00 1.24 O ATOM 204 CB THR A 13 -3.282 10.826 -1.040 1.00 54.11 C ATOM 205 OG1 THR A 13 -2.708 10.806 -2.358 1.00 61.51 O ATOM 206 CG2 THR A 13 -4.653 10.157 -1.058 1.00 54.10 C ATOM 0 H THR A 13 -4.986 12.413 0.835 1.00 1.12 H new ATOM 0 HA THR A 13 -2.354 12.668 -0.432 1.00 43.33 H new ATOM 0 HB THR A 13 -2.636 10.264 -0.365 1.00 54.11 H new ATOM 0 HG1 THR A 13 -2.367 9.908 -2.553 1.00 61.51 H new ATOM 0 HG21 THR A 13 -4.557 9.141 -1.441 1.00 54.10 H new ATOM 0 HG22 THR A 13 -5.056 10.127 -0.046 1.00 54.10 H new ATOM 0 HG23 THR A 13 -5.327 10.725 -1.700 1.00 54.10 H new ATOM 214 N LYS A 14 -4.387 12.749 -2.705 1.00 40.41 N ATOM 215 CA LYS A 14 -5.115 13.563 -3.683 1.00 54.54 C ATOM 216 C LYS A 14 -6.499 13.985 -3.149 1.00 45.03 C ATOM 217 O LYS A 14 -6.925 15.126 -3.334 1.00 75.33 O ATOM 218 CB LYS A 14 -5.257 12.800 -5.009 1.00 25.20 C ATOM 219 CG LYS A 14 -5.844 13.636 -6.142 1.00 63.54 C ATOM 220 CD LYS A 14 -4.990 14.870 -6.431 1.00 35.33 C ATOM 221 CE LYS A 14 -5.594 15.733 -7.535 1.00 63.32 C ATOM 222 NZ LYS A 14 -4.803 16.967 -7.780 1.00 62.22 N ATOM 0 H LYS A 14 -4.074 11.845 -3.058 1.00 40.41 H new ATOM 0 HA LYS A 14 -4.539 14.472 -3.859 1.00 54.54 H new ATOM 0 HB2 LYS A 14 -4.277 12.432 -5.312 1.00 25.20 H new ATOM 0 HB3 LYS A 14 -5.890 11.927 -4.849 1.00 25.20 H new ATOM 0 HG2 LYS A 14 -5.921 13.027 -7.043 1.00 63.54 H new ATOM 0 HG3 LYS A 14 -6.856 13.946 -5.880 1.00 63.54 H new ATOM 0 HD2 LYS A 14 -4.888 15.462 -5.522 1.00 35.33 H new ATOM 0 HD3 LYS A 14 -3.987 14.558 -6.722 1.00 35.33 H new ATOM 0 HE2 LYS A 14 -5.653 15.153 -8.456 1.00 63.32 H new ATOM 0 HE3 LYS A 14 -6.614 16.005 -7.264 1.00 63.32 H new ATOM 0 HZ1 LYS A 14 -5.251 17.522 -8.537 1.00 62.22 H new ATOM 0 HZ2 LYS A 14 -4.767 17.535 -6.910 1.00 62.22 H new ATOM 0 HZ3 LYS A 14 -3.837 16.709 -8.065 1.00 62.22 H new ATOM 236 N HIS A 15 -7.198 13.061 -2.488 1.00 14.41 N ATOM 237 CA HIS A 15 -8.469 13.382 -1.823 1.00 50.34 C ATOM 238 C HIS A 15 -8.480 12.873 -0.367 1.00 50.32 C ATOM 239 O HIS A 15 -7.642 12.059 0.030 1.00 22.13 O ATOM 240 CB HIS A 15 -9.650 12.786 -2.598 1.00 12.05 C ATOM 241 CG HIS A 15 -9.668 13.164 -4.046 1.00 62.01 C ATOM 242 ND1 HIS A 15 -10.264 14.310 -4.523 1.00 3.10 N ATOM 243 CD2 HIS A 15 -9.155 12.535 -5.128 1.00 70.43 C ATOM 244 CE1 HIS A 15 -10.121 14.370 -5.831 1.00 34.43 C ATOM 245 NE2 HIS A 15 -9.453 13.306 -6.224 1.00 71.21 N ATOM 0 H HIS A 15 -6.910 12.087 -2.397 1.00 14.41 H new ATOM 0 HA HIS A 15 -8.570 14.467 -1.807 1.00 50.34 H new ATOM 0 HB2 HIS A 15 -9.617 11.700 -2.515 1.00 12.05 H new ATOM 0 HB3 HIS A 15 -10.580 13.113 -2.134 1.00 12.05 H new ATOM 0 HD2 HIS A 15 -8.613 11.601 -5.129 1.00 70.43 H new ATOM 0 HE1 HIS A 15 -10.489 15.158 -6.472 1.00 34.43 H new ATOM 0 HE2 HIS A 15 -9.198 13.089 -7.188 1.00 71.21 H new ATOM 254 N GLY A 16 -9.444 13.347 0.425 1.00 63.13 N ATOM 255 CA GLY A 16 -9.516 12.981 1.839 1.00 63.43 C ATOM 256 C GLY A 16 -10.190 11.634 2.110 1.00 62.12 C ATOM 257 O GLY A 16 -11.010 11.515 3.025 1.00 51.41 O ATOM 0 H GLY A 16 -10.180 13.981 0.113 1.00 63.13 H new ATOM 0 HA2 GLY A 16 -8.506 12.957 2.247 1.00 63.43 H new ATOM 0 HA3 GLY A 16 -10.058 13.759 2.376 1.00 63.43 H new ATOM 261 N LYS A 17 -9.856 10.613 1.320 1.00 21.02 N ATOM 262 CA LYS A 17 -10.369 9.250 1.554 1.00 63.35 C ATOM 263 C LYS A 17 -9.301 8.351 2.194 1.00 35.15 C ATOM 264 O LYS A 17 -9.516 7.151 2.336 1.00 74.24 O ATOM 265 CB LYS A 17 -10.824 8.582 0.240 1.00 54.53 C ATOM 266 CG LYS A 17 -12.077 9.167 -0.405 1.00 43.34 C ATOM 267 CD LYS A 17 -11.804 10.488 -1.114 1.00 31.52 C ATOM 268 CE LYS A 17 -12.906 10.827 -2.113 1.00 14.23 C ATOM 269 NZ LYS A 17 -12.991 9.827 -3.216 1.00 43.20 N ATOM 0 H LYS A 17 -9.236 10.696 0.514 1.00 21.02 H new ATOM 0 HA LYS A 17 -11.219 9.357 2.228 1.00 63.35 H new ATOM 0 HB2 LYS A 17 -10.006 8.643 -0.478 1.00 54.53 H new ATOM 0 HB3 LYS A 17 -10.999 7.524 0.434 1.00 54.53 H new ATOM 0 HG2 LYS A 17 -12.482 8.451 -1.120 1.00 43.34 H new ATOM 0 HG3 LYS A 17 -12.839 9.319 0.360 1.00 43.34 H new ATOM 0 HD2 LYS A 17 -11.722 11.287 -0.377 1.00 31.52 H new ATOM 0 HD3 LYS A 17 -10.847 10.432 -1.632 1.00 31.52 H new ATOM 0 HE2 LYS A 17 -13.863 10.875 -1.594 1.00 14.23 H new ATOM 0 HE3 LYS A 17 -12.722 11.815 -2.534 1.00 14.23 H new ATOM 0 HZ1 LYS A 17 -12.812 10.298 -4.126 1.00 43.20 H new ATOM 0 HZ2 LYS A 17 -12.280 9.083 -3.065 1.00 43.20 H new ATOM 0 HZ3 LYS A 17 -13.940 9.402 -3.227 1.00 43.20 H new ATOM 283 N ASN A 18 -8.161 8.933 2.585 1.00 72.42 N ATOM 284 CA ASN A 18 -6.985 8.146 2.999 1.00 3.15 C ATOM 285 C ASN A 18 -6.413 7.373 1.798 1.00 62.24 C ATOM 286 O ASN A 18 -7.150 6.668 1.109 1.00 14.23 O ATOM 287 CB ASN A 18 -7.334 7.161 4.134 1.00 45.35 C ATOM 288 CG ASN A 18 -7.541 7.843 5.475 1.00 44.23 C ATOM 289 OD1 ASN A 18 -6.736 8.844 5.776 1.00 34.54 O flip ATOM 290 ND2 ASN A 18 -8.397 7.447 6.254 1.00 11.03 N flip ATOM 0 H ASN A 18 -8.024 9.943 2.625 1.00 72.42 H new ATOM 0 HA ASN A 18 -6.236 8.844 3.373 1.00 3.15 H new ATOM 0 HB2 ASN A 18 -8.239 6.616 3.867 1.00 45.35 H new ATOM 0 HB3 ASN A 18 -6.535 6.426 4.227 1.00 45.35 H new ATOM 0 HD21 ASN A 18 -9.005 6.671 5.992 1.00 11.03 H new ATOM 0 HD22 ASN A 18 -8.503 7.893 7.165 1.00 11.03 H new ATOM 297 N PRO A 19 -5.094 7.478 1.530 1.00 34.13 N ATOM 298 CA PRO A 19 -4.461 6.803 0.377 1.00 55.30 C ATOM 299 C PRO A 19 -4.882 5.331 0.245 1.00 10.40 C ATOM 300 O PRO A 19 -5.038 4.811 -0.860 1.00 71.14 O ATOM 301 CB PRO A 19 -2.950 6.915 0.673 1.00 70.44 C ATOM 302 CG PRO A 19 -2.844 7.452 2.070 1.00 61.34 C ATOM 303 CD PRO A 19 -4.104 8.236 2.311 1.00 53.43 C ATOM 0 HA PRO A 19 -4.756 7.260 -0.567 1.00 55.30 H new ATOM 0 HB2 PRO A 19 -2.463 5.944 0.590 1.00 70.44 H new ATOM 0 HB3 PRO A 19 -2.461 7.579 -0.039 1.00 70.44 H new ATOM 0 HG2 PRO A 19 -2.745 6.642 2.793 1.00 61.34 H new ATOM 0 HG3 PRO A 19 -1.964 8.086 2.178 1.00 61.34 H new ATOM 0 HD2 PRO A 19 -4.363 8.275 3.369 1.00 53.43 H new ATOM 0 HD3 PRO A 19 -4.015 9.266 1.966 1.00 53.43 H new ATOM 311 N VAL A 20 -5.071 4.678 1.387 1.00 50.31 N ATOM 312 CA VAL A 20 -5.510 3.281 1.431 1.00 2.51 C ATOM 313 C VAL A 20 -6.868 3.091 0.729 1.00 22.42 C ATOM 314 O VAL A 20 -6.996 2.314 -0.221 1.00 61.00 O ATOM 315 CB VAL A 20 -5.633 2.790 2.899 1.00 65.01 C ATOM 316 CG1 VAL A 20 -5.910 1.287 2.957 1.00 53.03 C ATOM 317 CG2 VAL A 20 -4.383 3.150 3.700 1.00 72.45 C ATOM 0 H VAL A 20 -4.926 5.097 2.306 1.00 50.31 H new ATOM 0 HA VAL A 20 -4.756 2.694 0.907 1.00 2.51 H new ATOM 0 HB VAL A 20 -6.482 3.301 3.353 1.00 65.01 H new ATOM 0 HG11 VAL A 20 -5.991 0.972 3.997 1.00 53.03 H new ATOM 0 HG12 VAL A 20 -6.843 1.069 2.438 1.00 53.03 H new ATOM 0 HG13 VAL A 20 -5.093 0.748 2.477 1.00 53.03 H new ATOM 0 HG21 VAL A 20 -4.493 2.796 4.725 1.00 72.45 H new ATOM 0 HG22 VAL A 20 -3.511 2.680 3.245 1.00 72.45 H new ATOM 0 HG23 VAL A 20 -4.251 4.232 3.702 1.00 72.45 H new ATOM 327 N MET A 21 -7.881 3.824 1.194 1.00 71.13 N ATOM 328 CA MET A 21 -9.240 3.681 0.662 1.00 63.30 C ATOM 329 C MET A 21 -9.372 4.322 -0.728 1.00 14.24 C ATOM 330 O MET A 21 -10.113 3.826 -1.578 1.00 1.21 O ATOM 331 CB MET A 21 -10.269 4.278 1.634 1.00 2.33 C ATOM 332 CG MET A 21 -10.178 3.705 3.046 1.00 42.14 C ATOM 333 SD MET A 21 -11.636 4.054 4.055 1.00 32.34 S ATOM 334 CE MET A 21 -11.656 5.846 4.067 1.00 31.52 C ATOM 0 H MET A 21 -7.789 4.520 1.934 1.00 71.13 H new ATOM 0 HA MET A 21 -9.442 2.615 0.555 1.00 63.30 H new ATOM 0 HB2 MET A 21 -10.130 5.358 1.679 1.00 2.33 H new ATOM 0 HB3 MET A 21 -11.271 4.102 1.243 1.00 2.33 H new ATOM 0 HG2 MET A 21 -10.037 2.626 2.984 1.00 42.14 H new ATOM 0 HG3 MET A 21 -9.297 4.114 3.540 1.00 42.14 H new ATOM 0 HE1 MET A 21 -12.462 6.197 4.712 1.00 31.52 H new ATOM 0 HE2 MET A 21 -10.703 6.218 4.443 1.00 31.52 H new ATOM 0 HE3 MET A 21 -11.816 6.215 3.054 1.00 31.52 H new ATOM 344 N GLU A 22 -8.648 5.418 -0.958 1.00 64.40 N ATOM 345 CA GLU A 22 -8.614 6.056 -2.281 1.00 1.23 C ATOM 346 C GLU A 22 -8.059 5.098 -3.341 1.00 25.43 C ATOM 347 O GLU A 22 -8.606 4.984 -4.440 1.00 34.53 O ATOM 348 CB GLU A 22 -7.781 7.345 -2.247 1.00 32.24 C ATOM 349 CG GLU A 22 -7.554 7.964 -3.629 1.00 63.41 C ATOM 350 CD GLU A 22 -7.058 9.401 -3.570 1.00 44.02 C ATOM 351 OE1 GLU A 22 -7.788 10.260 -3.034 1.00 72.45 O ATOM 352 OE2 GLU A 22 -5.962 9.684 -4.094 1.00 73.42 O ATOM 0 H GLU A 22 -8.079 5.883 -0.251 1.00 64.40 H new ATOM 0 HA GLU A 22 -9.639 6.311 -2.550 1.00 1.23 H new ATOM 0 HB2 GLU A 22 -8.281 8.074 -1.609 1.00 32.24 H new ATOM 0 HB3 GLU A 22 -6.815 7.131 -1.790 1.00 32.24 H new ATOM 0 HG2 GLU A 22 -6.831 7.359 -4.176 1.00 63.41 H new ATOM 0 HG3 GLU A 22 -8.487 7.932 -4.192 1.00 63.41 H new ATOM 359 N LEU A 23 -6.975 4.405 -3.005 1.00 40.41 N ATOM 360 CA LEU A 23 -6.413 3.388 -3.892 1.00 21.21 C ATOM 361 C LEU A 23 -7.451 2.289 -4.176 1.00 35.04 C ATOM 362 O LEU A 23 -7.603 1.845 -5.318 1.00 0.15 O ATOM 363 CB LEU A 23 -5.143 2.788 -3.271 1.00 13.13 C ATOM 364 CG LEU A 23 -4.355 1.828 -4.176 1.00 11.41 C ATOM 365 CD1 LEU A 23 -3.901 2.530 -5.454 1.00 63.41 C ATOM 366 CD2 LEU A 23 -3.162 1.243 -3.423 1.00 21.51 C ATOM 0 H LEU A 23 -6.469 4.527 -2.128 1.00 40.41 H new ATOM 0 HA LEU A 23 -6.147 3.857 -4.839 1.00 21.21 H new ATOM 0 HB2 LEU A 23 -4.484 3.604 -2.975 1.00 13.13 H new ATOM 0 HB3 LEU A 23 -5.421 2.256 -2.361 1.00 13.13 H new ATOM 0 HG LEU A 23 -5.015 1.009 -4.462 1.00 11.41 H new ATOM 0 HD11 LEU A 23 -3.346 1.829 -6.077 1.00 63.41 H new ATOM 0 HD12 LEU A 23 -4.773 2.889 -6.001 1.00 63.41 H new ATOM 0 HD13 LEU A 23 -3.260 3.374 -5.198 1.00 63.41 H new ATOM 0 HD21 LEU A 23 -2.615 0.565 -4.078 1.00 21.51 H new ATOM 0 HD22 LEU A 23 -2.503 2.050 -3.103 1.00 21.51 H new ATOM 0 HD23 LEU A 23 -3.516 0.696 -2.549 1.00 21.51 H new ATOM 378 N ASN A 24 -8.179 1.878 -3.133 1.00 14.34 N ATOM 379 CA ASN A 24 -9.284 0.913 -3.277 1.00 55.31 C ATOM 380 C ASN A 24 -10.398 1.439 -4.211 1.00 71.40 C ATOM 381 O ASN A 24 -11.171 0.656 -4.777 1.00 41.44 O ATOM 382 CB ASN A 24 -9.881 0.580 -1.902 1.00 73.11 C ATOM 383 CG ASN A 24 -8.895 -0.121 -0.981 1.00 42.00 C ATOM 384 OD1 ASN A 24 -8.040 -0.881 -1.420 1.00 0.01 O ATOM 385 ND2 ASN A 24 -9.011 0.125 0.308 1.00 55.11 N ATOM 0 H ASN A 24 -8.026 2.197 -2.176 1.00 14.34 H new ATOM 0 HA ASN A 24 -8.867 0.012 -3.727 1.00 55.31 H new ATOM 0 HB2 ASN A 24 -10.222 1.500 -1.427 1.00 73.11 H new ATOM 0 HB3 ASN A 24 -10.758 -0.053 -2.036 1.00 73.11 H new ATOM 0 HD21 ASN A 24 -8.379 -0.322 0.972 1.00 55.11 H new ATOM 0 HD22 ASN A 24 -9.733 0.763 0.642 1.00 55.11 H new ATOM 392 N GLU A 25 -10.503 2.765 -4.342 1.00 43.23 N ATOM 393 CA GLU A 25 -11.450 3.380 -5.286 1.00 2.33 C ATOM 394 C GLU A 25 -10.906 3.319 -6.720 1.00 71.34 C ATOM 395 O GLU A 25 -11.620 2.965 -7.659 1.00 61.32 O ATOM 396 CB GLU A 25 -11.718 4.852 -4.927 1.00 1.34 C ATOM 397 CG GLU A 25 -12.308 5.079 -3.540 1.00 72.33 C ATOM 398 CD GLU A 25 -12.653 6.541 -3.293 1.00 21.21 C ATOM 399 OE1 GLU A 25 -11.733 7.354 -3.080 1.00 50.21 O ATOM 400 OE2 GLU A 25 -13.854 6.892 -3.325 1.00 5.31 O ATOM 0 H GLU A 25 -9.947 3.434 -3.809 1.00 43.23 H new ATOM 0 HA GLU A 25 -12.380 2.816 -5.219 1.00 2.33 H new ATOM 0 HB2 GLU A 25 -10.782 5.405 -5.002 1.00 1.34 H new ATOM 0 HB3 GLU A 25 -12.397 5.273 -5.668 1.00 1.34 H new ATOM 0 HG2 GLU A 25 -13.206 4.471 -3.425 1.00 72.33 H new ATOM 0 HG3 GLU A 25 -11.597 4.743 -2.785 1.00 72.33 H new ATOM 407 N LYS A 26 -9.632 3.673 -6.869 1.00 20.04 N ATOM 408 CA LYS A 26 -8.979 3.737 -8.182 1.00 44.24 C ATOM 409 C LYS A 26 -8.824 2.334 -8.798 1.00 63.04 C ATOM 410 O LYS A 26 -8.934 2.156 -10.017 1.00 72.43 O ATOM 411 CB LYS A 26 -7.608 4.423 -8.041 1.00 13.02 C ATOM 412 CG LYS A 26 -7.663 5.768 -7.314 1.00 74.04 C ATOM 413 CD LYS A 26 -8.482 6.815 -8.073 1.00 32.23 C ATOM 414 CE LYS A 26 -7.720 7.394 -9.261 1.00 34.13 C ATOM 415 NZ LYS A 26 -6.572 8.233 -8.823 1.00 12.30 N ATOM 0 H LYS A 26 -9.023 3.923 -6.090 1.00 20.04 H new ATOM 0 HA LYS A 26 -9.606 4.321 -8.855 1.00 44.24 H new ATOM 0 HB2 LYS A 26 -6.933 3.757 -7.504 1.00 13.02 H new ATOM 0 HB3 LYS A 26 -7.184 4.574 -9.034 1.00 13.02 H new ATOM 0 HG2 LYS A 26 -8.094 5.624 -6.323 1.00 74.04 H new ATOM 0 HG3 LYS A 26 -6.649 6.140 -7.170 1.00 74.04 H new ATOM 0 HD2 LYS A 26 -9.410 6.363 -8.424 1.00 32.23 H new ATOM 0 HD3 LYS A 26 -8.758 7.621 -7.393 1.00 32.23 H new ATOM 0 HE2 LYS A 26 -7.358 6.582 -9.891 1.00 34.13 H new ATOM 0 HE3 LYS A 26 -8.397 7.993 -9.870 1.00 34.13 H new ATOM 0 HZ1 LYS A 26 -6.247 8.820 -9.618 1.00 12.30 H new ATOM 0 HZ2 LYS A 26 -6.870 8.847 -8.039 1.00 12.30 H new ATOM 0 HZ3 LYS A 26 -5.795 7.619 -8.506 1.00 12.30 H new ATOM 429 N ARG A 27 -8.571 1.345 -7.943 1.00 40.13 N ATOM 430 CA ARG A 27 -8.524 -0.069 -8.346 1.00 71.24 C ATOM 431 C ARG A 27 -9.256 -0.939 -7.315 1.00 63.15 C ATOM 432 O ARG A 27 -8.877 -0.984 -6.145 1.00 51.03 O ATOM 433 CB ARG A 27 -7.073 -0.556 -8.508 1.00 1.10 C ATOM 434 CG ARG A 27 -6.371 -0.049 -9.768 1.00 70.21 C ATOM 435 CD ARG A 27 -7.091 -0.489 -11.043 1.00 74.43 C ATOM 436 NE ARG A 27 -6.288 -0.250 -12.241 1.00 63.15 N ATOM 437 CZ ARG A 27 -6.757 0.225 -13.361 1.00 3.13 C ATOM 438 NH1 ARG A 27 -7.999 0.584 -13.463 1.00 30.01 N ATOM 439 NH2 ARG A 27 -5.976 0.342 -14.379 1.00 40.52 N ATOM 0 H ARG A 27 -8.392 1.496 -6.950 1.00 40.13 H new ATOM 0 HA ARG A 27 -9.022 -0.159 -9.311 1.00 71.24 H new ATOM 0 HB2 ARG A 27 -6.499 -0.243 -7.636 1.00 1.10 H new ATOM 0 HB3 ARG A 27 -7.068 -1.646 -8.518 1.00 1.10 H new ATOM 0 HG2 ARG A 27 -6.317 1.039 -9.740 1.00 70.21 H new ATOM 0 HG3 ARG A 27 -5.346 -0.419 -9.785 1.00 70.21 H new ATOM 0 HD2 ARG A 27 -7.332 -1.550 -10.975 1.00 74.43 H new ATOM 0 HD3 ARG A 27 -8.036 0.047 -11.128 1.00 74.43 H new ATOM 0 HE ARG A 27 -5.293 -0.470 -12.198 1.00 63.15 H new ATOM 0 HH11 ARG A 27 -8.623 0.496 -12.661 1.00 30.01 H new ATOM 0 HH12 ARG A 27 -8.352 0.954 -14.346 1.00 30.01 H new ATOM 0 HH21 ARG A 27 -4.997 0.064 -14.306 1.00 40.52 H new ATOM 0 HH22 ARG A 27 -6.336 0.713 -15.258 1.00 40.52 H new ATOM 453 N ARG A 28 -10.302 -1.632 -7.755 1.00 11.10 N ATOM 454 CA ARG A 28 -11.132 -2.442 -6.857 1.00 51.04 C ATOM 455 C ARG A 28 -10.605 -3.883 -6.762 1.00 63.33 C ATOM 456 O ARG A 28 -10.359 -4.536 -7.781 1.00 44.51 O ATOM 457 CB ARG A 28 -12.598 -2.455 -7.330 1.00 61.15 C ATOM 458 CG ARG A 28 -13.258 -1.074 -7.417 1.00 61.12 C ATOM 459 CD ARG A 28 -12.727 -0.247 -8.585 1.00 44.10 C ATOM 460 NE ARG A 28 -13.497 0.978 -8.793 1.00 35.41 N ATOM 461 CZ ARG A 28 -14.230 1.208 -9.850 1.00 54.13 C ATOM 462 NH1 ARG A 28 -14.310 0.330 -10.799 1.00 1.11 N ATOM 463 NH2 ARG A 28 -14.884 2.316 -9.957 1.00 22.12 N ATOM 0 H ARG A 28 -10.599 -1.651 -8.731 1.00 11.10 H new ATOM 0 HA ARG A 28 -11.082 -1.988 -5.867 1.00 51.04 H new ATOM 0 HB2 ARG A 28 -12.644 -2.927 -8.312 1.00 61.15 H new ATOM 0 HB3 ARG A 28 -13.179 -3.078 -6.650 1.00 61.15 H new ATOM 0 HG2 ARG A 28 -14.336 -1.196 -7.522 1.00 61.12 H new ATOM 0 HG3 ARG A 28 -13.088 -0.534 -6.486 1.00 61.12 H new ATOM 0 HD2 ARG A 28 -11.684 0.009 -8.401 1.00 44.10 H new ATOM 0 HD3 ARG A 28 -12.752 -0.848 -9.494 1.00 44.10 H new ATOM 0 HE ARG A 28 -13.460 1.696 -8.070 1.00 35.41 H new ATOM 0 HH11 ARG A 28 -13.798 -0.549 -10.725 1.00 1.11 H new ATOM 0 HH12 ARG A 28 -14.885 0.518 -11.621 1.00 1.11 H new ATOM 0 HH21 ARG A 28 -14.829 3.014 -9.215 1.00 22.12 H new ATOM 0 HH22 ARG A 28 -15.455 2.493 -10.783 1.00 22.12 H new ATOM 477 N GLY A 29 -10.446 -4.377 -5.537 1.00 32.44 N ATOM 478 CA GLY A 29 -9.937 -5.731 -5.328 1.00 15.55 C ATOM 479 C GLY A 29 -8.427 -5.771 -5.102 1.00 2.42 C ATOM 480 O GLY A 29 -7.684 -6.362 -5.889 1.00 12.35 O ATOM 0 H GLY A 29 -10.660 -3.866 -4.680 1.00 32.44 H new ATOM 0 HA2 GLY A 29 -10.440 -6.174 -4.468 1.00 15.55 H new ATOM 0 HA3 GLY A 29 -10.186 -6.345 -6.194 1.00 15.55 H new ATOM 484 N LEU A 30 -7.973 -5.136 -4.024 1.00 24.11 N ATOM 485 CA LEU A 30 -6.543 -5.085 -3.694 1.00 20.25 C ATOM 486 C LEU A 30 -6.221 -5.897 -2.427 1.00 21.41 C ATOM 487 O LEU A 30 -7.115 -6.259 -1.656 1.00 31.41 O ATOM 488 CB LEU A 30 -6.108 -3.627 -3.498 1.00 62.50 C ATOM 489 CG LEU A 30 -6.435 -2.684 -4.669 1.00 10.13 C ATOM 490 CD1 LEU A 30 -5.991 -1.261 -4.355 1.00 15.24 C ATOM 491 CD2 LEU A 30 -5.795 -3.178 -5.966 1.00 32.40 C ATOM 0 H LEU A 30 -8.573 -4.647 -3.360 1.00 24.11 H new ATOM 0 HA LEU A 30 -5.993 -5.529 -4.524 1.00 20.25 H new ATOM 0 HB2 LEU A 30 -6.584 -3.240 -2.597 1.00 62.50 H new ATOM 0 HB3 LEU A 30 -5.032 -3.606 -3.324 1.00 62.50 H new ATOM 0 HG LEU A 30 -7.516 -2.682 -4.808 1.00 10.13 H new ATOM 0 HD11 LEU A 30 -6.232 -0.611 -5.196 1.00 15.24 H new ATOM 0 HD12 LEU A 30 -6.508 -0.907 -3.463 1.00 15.24 H new ATOM 0 HD13 LEU A 30 -4.915 -1.246 -4.181 1.00 15.24 H new ATOM 0 HD21 LEU A 30 -6.042 -2.493 -6.777 1.00 32.40 H new ATOM 0 HD22 LEU A 30 -4.713 -3.221 -5.844 1.00 32.40 H new ATOM 0 HD23 LEU A 30 -6.173 -4.172 -6.203 1.00 32.40 H new ATOM 503 N LYS A 31 -4.937 -6.180 -2.217 1.00 64.01 N ATOM 504 CA LYS A 31 -4.485 -6.888 -1.012 1.00 5.23 C ATOM 505 C LYS A 31 -3.363 -6.124 -0.299 1.00 33.21 C ATOM 506 O LYS A 31 -2.278 -5.950 -0.849 1.00 43.35 O ATOM 507 CB LYS A 31 -3.987 -8.299 -1.355 1.00 31.40 C ATOM 508 CG LYS A 31 -3.474 -9.073 -0.140 1.00 3.21 C ATOM 509 CD LYS A 31 -2.770 -10.370 -0.530 1.00 3.23 C ATOM 510 CE LYS A 31 -3.699 -11.334 -1.261 1.00 3.41 C ATOM 511 NZ LYS A 31 -3.035 -12.637 -1.541 1.00 23.13 N ATOM 0 H LYS A 31 -4.188 -5.932 -2.863 1.00 64.01 H new ATOM 0 HA LYS A 31 -5.345 -6.958 -0.347 1.00 5.23 H new ATOM 0 HB2 LYS A 31 -4.799 -8.860 -1.818 1.00 31.40 H new ATOM 0 HB3 LYS A 31 -3.189 -8.225 -2.093 1.00 31.40 H new ATOM 0 HG2 LYS A 31 -2.785 -8.444 0.423 1.00 3.21 H new ATOM 0 HG3 LYS A 31 -4.310 -9.301 0.521 1.00 3.21 H new ATOM 0 HD2 LYS A 31 -1.915 -10.140 -1.166 1.00 3.23 H new ATOM 0 HD3 LYS A 31 -2.380 -10.853 0.366 1.00 3.23 H new ATOM 0 HE2 LYS A 31 -4.593 -11.503 -0.660 1.00 3.41 H new ATOM 0 HE3 LYS A 31 -4.025 -10.884 -2.198 1.00 3.41 H new ATOM 0 HZ1 LYS A 31 -3.698 -13.265 -2.039 1.00 23.13 H new ATOM 0 HZ2 LYS A 31 -2.196 -12.479 -2.135 1.00 23.13 H new ATOM 0 HZ3 LYS A 31 -2.746 -13.079 -0.645 1.00 23.13 H new ATOM 525 N TYR A 32 -3.638 -5.660 0.918 1.00 44.32 N ATOM 526 CA TYR A 32 -2.597 -5.089 1.778 1.00 51.14 C ATOM 527 C TYR A 32 -2.125 -6.137 2.802 1.00 73.40 C ATOM 528 O TYR A 32 -2.806 -6.384 3.802 1.00 55.43 O ATOM 529 CB TYR A 32 -3.127 -3.856 2.527 1.00 75.53 C ATOM 530 CG TYR A 32 -3.543 -2.687 1.646 1.00 52.13 C ATOM 531 CD1 TYR A 32 -4.703 -2.740 0.880 1.00 15.11 C ATOM 532 CD2 TYR A 32 -2.784 -1.519 1.599 1.00 52.14 C ATOM 533 CE1 TYR A 32 -5.093 -1.669 0.095 1.00 63.24 C ATOM 534 CE2 TYR A 32 -3.172 -0.445 0.823 1.00 52.31 C ATOM 535 CZ TYR A 32 -4.325 -0.524 0.071 1.00 23.51 C ATOM 536 OH TYR A 32 -4.713 0.548 -0.701 1.00 71.33 O ATOM 0 H TYR A 32 -4.570 -5.667 1.333 1.00 44.32 H new ATOM 0 HA TYR A 32 -1.761 -4.790 1.146 1.00 51.14 H new ATOM 0 HB2 TYR A 32 -3.984 -4.158 3.129 1.00 75.53 H new ATOM 0 HB3 TYR A 32 -2.357 -3.513 3.218 1.00 75.53 H new ATOM 0 HD1 TYR A 32 -5.310 -3.633 0.898 1.00 15.11 H new ATOM 0 HD2 TYR A 32 -1.876 -1.453 2.180 1.00 52.14 H new ATOM 0 HE1 TYR A 32 -5.995 -1.730 -0.496 1.00 63.24 H new ATOM 0 HE2 TYR A 32 -2.574 0.454 0.805 1.00 52.31 H new ATOM 0 HH TYR A 32 -5.511 0.961 -0.310 1.00 71.33 H new ATOM 546 N GLU A 33 -0.972 -6.759 2.556 1.00 44.11 N ATOM 547 CA GLU A 33 -0.454 -7.804 3.456 1.00 75.43 C ATOM 548 C GLU A 33 0.782 -7.327 4.237 1.00 13.13 C ATOM 549 O GLU A 33 1.371 -6.295 3.922 1.00 33.25 O ATOM 550 CB GLU A 33 -0.116 -9.081 2.670 1.00 35.30 C ATOM 551 CG GLU A 33 1.043 -8.930 1.695 1.00 1.41 C ATOM 552 CD GLU A 33 1.379 -10.234 0.986 1.00 41.41 C ATOM 553 OE1 GLU A 33 0.789 -10.517 -0.073 1.00 53.11 O ATOM 554 OE2 GLU A 33 2.229 -10.997 1.498 1.00 1.41 O ATOM 0 H GLU A 33 -0.379 -6.564 1.749 1.00 44.11 H new ATOM 0 HA GLU A 33 -1.242 -8.025 4.176 1.00 75.43 H new ATOM 0 HB2 GLU A 33 0.121 -9.876 3.377 1.00 35.30 H new ATOM 0 HB3 GLU A 33 -1.001 -9.398 2.118 1.00 35.30 H new ATOM 0 HG2 GLU A 33 0.794 -8.170 0.954 1.00 1.41 H new ATOM 0 HG3 GLU A 33 1.922 -8.575 2.232 1.00 1.41 H new ATOM 561 N LEU A 34 1.166 -8.093 5.254 1.00 1.22 N ATOM 562 CA LEU A 34 2.302 -7.739 6.118 1.00 64.52 C ATOM 563 C LEU A 34 3.582 -8.470 5.686 1.00 2.33 C ATOM 564 O LEU A 34 3.663 -9.700 5.754 1.00 34.44 O ATOM 565 CB LEU A 34 1.978 -8.077 7.584 1.00 52.02 C ATOM 566 CG LEU A 34 3.095 -7.766 8.598 1.00 75.34 C ATOM 567 CD1 LEU A 34 3.411 -6.272 8.626 1.00 50.34 C ATOM 568 CD2 LEU A 34 2.710 -8.262 9.989 1.00 53.13 C ATOM 0 H LEU A 34 0.708 -8.969 5.506 1.00 1.22 H new ATOM 0 HA LEU A 34 2.473 -6.667 6.022 1.00 64.52 H new ATOM 0 HB2 LEU A 34 1.083 -7.528 7.876 1.00 52.02 H new ATOM 0 HB3 LEU A 34 1.737 -9.138 7.649 1.00 52.02 H new ATOM 0 HG LEU A 34 3.995 -8.293 8.281 1.00 75.34 H new ATOM 0 HD11 LEU A 34 4.203 -6.081 9.350 1.00 50.34 H new ATOM 0 HD12 LEU A 34 3.738 -5.951 7.637 1.00 50.34 H new ATOM 0 HD13 LEU A 34 2.517 -5.716 8.910 1.00 50.34 H new ATOM 0 HD21 LEU A 34 3.511 -8.033 10.692 1.00 53.13 H new ATOM 0 HD22 LEU A 34 1.793 -7.768 10.311 1.00 53.13 H new ATOM 0 HD23 LEU A 34 2.550 -9.340 9.960 1.00 53.13 H new ATOM 580 N ILE A 35 4.583 -7.706 5.253 1.00 31.32 N ATOM 581 CA ILE A 35 5.862 -8.272 4.808 1.00 24.23 C ATOM 582 C ILE A 35 6.868 -8.380 5.967 1.00 1.03 C ATOM 583 O ILE A 35 7.504 -9.422 6.156 1.00 62.33 O ATOM 584 CB ILE A 35 6.487 -7.417 3.675 1.00 45.44 C ATOM 585 CG1 ILE A 35 5.496 -7.257 2.510 1.00 14.14 C ATOM 586 CG2 ILE A 35 7.796 -8.035 3.181 1.00 23.40 C ATOM 587 CD1 ILE A 35 5.040 -8.571 1.901 1.00 22.52 C ATOM 0 H ILE A 35 4.536 -6.689 5.200 1.00 31.32 H new ATOM 0 HA ILE A 35 5.648 -9.272 4.432 1.00 24.23 H new ATOM 0 HB ILE A 35 6.709 -6.430 4.081 1.00 45.44 H new ATOM 0 HG12 ILE A 35 4.622 -6.709 2.863 1.00 14.14 H new ATOM 0 HG13 ILE A 35 5.960 -6.650 1.733 1.00 14.14 H new ATOM 0 HG21 ILE A 35 8.214 -7.416 2.387 1.00 23.40 H new ATOM 0 HG22 ILE A 35 8.505 -8.093 4.007 1.00 23.40 H new ATOM 0 HG23 ILE A 35 7.603 -9.037 2.797 1.00 23.40 H new ATOM 0 HD11 ILE A 35 4.343 -8.372 1.087 1.00 22.52 H new ATOM 0 HD12 ILE A 35 5.904 -9.113 1.516 1.00 22.52 H new ATOM 0 HD13 ILE A 35 4.545 -9.173 2.663 1.00 22.52 H new ATOM 599 N SER A 36 7.007 -7.303 6.739 1.00 74.31 N ATOM 600 CA SER A 36 7.987 -7.255 7.843 1.00 4.14 C ATOM 601 C SER A 36 7.431 -6.515 9.067 1.00 75.00 C ATOM 602 O SER A 36 6.610 -5.610 8.931 1.00 11.13 O ATOM 603 CB SER A 36 9.277 -6.568 7.371 1.00 4.13 C ATOM 604 OG SER A 36 10.229 -6.454 8.421 1.00 61.32 O ATOM 0 H SER A 36 6.459 -6.450 6.627 1.00 74.31 H new ATOM 0 HA SER A 36 8.200 -8.283 8.138 1.00 4.14 H new ATOM 0 HB2 SER A 36 9.710 -7.135 6.547 1.00 4.13 H new ATOM 0 HB3 SER A 36 9.041 -5.576 6.985 1.00 4.13 H new ATOM 0 HG SER A 36 11.037 -6.014 8.084 1.00 61.32 H new ATOM 610 N GLU A 37 7.888 -6.906 10.260 1.00 31.51 N ATOM 611 CA GLU A 37 7.456 -6.266 11.511 1.00 73.11 C ATOM 612 C GLU A 37 8.540 -6.370 12.599 1.00 70.21 C ATOM 613 O GLU A 37 9.364 -7.290 12.586 1.00 1.54 O ATOM 614 CB GLU A 37 6.152 -6.905 12.021 1.00 25.40 C ATOM 615 CG GLU A 37 6.307 -8.349 12.495 1.00 43.11 C ATOM 616 CD GLU A 37 5.022 -8.928 13.065 1.00 43.32 C ATOM 617 OE1 GLU A 37 4.599 -8.494 14.158 1.00 24.42 O ATOM 618 OE2 GLU A 37 4.441 -9.839 12.435 1.00 15.53 O ATOM 0 H GLU A 37 8.558 -7.664 10.388 1.00 31.51 H new ATOM 0 HA GLU A 37 7.283 -5.212 11.296 1.00 73.11 H new ATOM 0 HB2 GLU A 37 5.763 -6.304 12.843 1.00 25.40 H new ATOM 0 HB3 GLU A 37 5.409 -6.874 11.224 1.00 25.40 H new ATOM 0 HG2 GLU A 37 6.638 -8.966 11.660 1.00 43.11 H new ATOM 0 HG3 GLU A 37 7.088 -8.395 13.254 1.00 43.11 H new ATOM 625 N THR A 38 8.539 -5.421 13.536 1.00 72.04 N ATOM 626 CA THR A 38 9.473 -5.443 14.674 1.00 10.14 C ATOM 627 C THR A 38 8.734 -5.229 16.005 1.00 61.52 C ATOM 628 O THR A 38 7.774 -4.457 16.077 1.00 45.42 O ATOM 629 CB THR A 38 10.575 -4.359 14.540 1.00 51.35 C ATOM 630 OG1 THR A 38 9.985 -3.053 14.540 1.00 20.43 O ATOM 631 CG2 THR A 38 11.392 -4.546 13.264 1.00 41.32 C ATOM 0 H THR A 38 7.902 -4.624 13.533 1.00 72.04 H new ATOM 0 HA THR A 38 9.940 -6.428 14.666 1.00 10.14 H new ATOM 0 HB THR A 38 11.244 -4.462 15.394 1.00 51.35 H new ATOM 0 HG1 THR A 38 10.452 -2.483 15.186 1.00 20.43 H new ATOM 0 HG21 THR A 38 12.154 -3.769 13.203 1.00 41.32 H new ATOM 0 HG22 THR A 38 11.871 -5.525 13.279 1.00 41.32 H new ATOM 0 HG23 THR A 38 10.734 -4.478 12.398 1.00 41.32 H new ATOM 639 N GLY A 39 9.183 -5.911 17.057 1.00 23.11 N ATOM 640 CA GLY A 39 8.551 -5.790 18.370 1.00 52.12 C ATOM 641 C GLY A 39 9.488 -5.227 19.436 1.00 73.21 C ATOM 642 O GLY A 39 10.057 -5.972 20.240 1.00 72.01 O ATOM 0 H GLY A 39 9.978 -6.550 17.027 1.00 23.11 H new ATOM 0 HA2 GLY A 39 7.676 -5.146 18.287 1.00 52.12 H new ATOM 0 HA3 GLY A 39 8.196 -6.771 18.688 1.00 52.12 H new ATOM 646 N GLY A 40 9.647 -3.908 19.444 1.00 14.01 N ATOM 647 CA GLY A 40 10.521 -3.257 20.416 1.00 53.22 C ATOM 648 C GLY A 40 11.943 -3.058 19.902 1.00 55.42 C ATOM 649 O GLY A 40 12.141 -2.474 18.833 1.00 71.10 O ATOM 0 H GLY A 40 9.186 -3.271 18.794 1.00 14.01 H new ATOM 0 HA2 GLY A 40 10.099 -2.288 20.684 1.00 53.22 H new ATOM 0 HA3 GLY A 40 10.551 -3.855 21.327 1.00 53.22 H new ATOM 653 N SER A 41 12.930 -3.548 20.664 1.00 1.14 N ATOM 654 CA SER A 41 14.356 -3.403 20.310 1.00 5.43 C ATOM 655 C SER A 41 14.785 -1.926 20.262 1.00 12.12 C ATOM 656 O SER A 41 15.454 -1.425 21.166 1.00 40.24 O ATOM 657 CB SER A 41 14.657 -4.081 18.963 1.00 73.54 C ATOM 658 OG SER A 41 15.968 -3.780 18.514 1.00 53.44 O ATOM 0 H SER A 41 12.769 -4.052 21.536 1.00 1.14 H new ATOM 0 HA SER A 41 14.932 -3.896 21.093 1.00 5.43 H new ATOM 0 HB2 SER A 41 14.544 -5.160 19.064 1.00 73.54 H new ATOM 0 HB3 SER A 41 13.931 -3.753 18.219 1.00 73.54 H new ATOM 0 HG SER A 41 15.976 -2.892 18.099 1.00 53.44 H new ATOM 664 N HIS A 42 14.390 -1.233 19.201 1.00 51.15 N ATOM 665 CA HIS A 42 14.679 0.197 19.046 1.00 23.22 C ATOM 666 C HIS A 42 13.402 0.975 18.703 1.00 54.12 C ATOM 667 O HIS A 42 13.211 2.107 19.153 1.00 13.53 O ATOM 668 CB HIS A 42 15.763 0.409 17.974 1.00 51.25 C ATOM 669 CG HIS A 42 15.589 -0.439 16.749 1.00 35.13 C ATOM 670 ND1 HIS A 42 15.962 -1.764 16.701 1.00 73.52 N ATOM 671 CD2 HIS A 42 15.092 -0.152 15.522 1.00 14.21 C ATOM 672 CE1 HIS A 42 15.703 -2.251 15.507 1.00 61.03 C ATOM 673 NE2 HIS A 42 15.175 -1.297 14.772 1.00 23.45 N ATOM 0 H HIS A 42 13.864 -1.638 18.426 1.00 51.15 H new ATOM 0 HA HIS A 42 15.057 0.581 19.993 1.00 23.22 H new ATOM 0 HB2 HIS A 42 15.766 1.458 17.679 1.00 51.25 H new ATOM 0 HB3 HIS A 42 16.738 0.198 18.413 1.00 51.25 H new ATOM 0 HD2 HIS A 42 14.703 0.801 15.195 1.00 14.21 H new ATOM 0 HE1 HIS A 42 15.892 -3.264 15.184 1.00 61.03 H new ATOM 0 HE2 HIS A 42 14.876 -1.393 13.802 1.00 23.45 H new ATOM 682 N ASP A 43 12.524 0.341 17.923 1.00 22.32 N ATOM 683 CA ASP A 43 11.232 0.919 17.530 1.00 32.35 C ATOM 684 C ASP A 43 10.444 -0.071 16.654 1.00 44.33 C ATOM 685 O ASP A 43 10.985 -1.089 16.218 1.00 63.03 O ATOM 686 CB ASP A 43 11.424 2.254 16.786 1.00 3.12 C ATOM 687 CG ASP A 43 12.393 2.149 15.621 1.00 12.03 C ATOM 688 OD1 ASP A 43 12.000 1.632 14.557 1.00 4.44 O ATOM 689 OD2 ASP A 43 13.554 2.583 15.763 1.00 33.24 O ATOM 0 H ASP A 43 12.687 -0.592 17.543 1.00 22.32 H new ATOM 0 HA ASP A 43 10.662 1.116 18.438 1.00 32.35 H new ATOM 0 HB2 ASP A 43 10.458 2.601 16.418 1.00 3.12 H new ATOM 0 HB3 ASP A 43 11.787 3.006 17.487 1.00 3.12 H new ATOM 694 N LYS A 44 9.168 0.221 16.412 1.00 52.13 N ATOM 695 CA LYS A 44 8.339 -0.607 15.524 1.00 71.10 C ATOM 696 C LYS A 44 8.409 -0.103 14.075 1.00 2.21 C ATOM 697 O LYS A 44 8.143 1.071 13.799 1.00 32.10 O ATOM 698 CB LYS A 44 6.869 -0.638 15.982 1.00 53.20 C ATOM 699 CG LYS A 44 6.574 -1.635 17.102 1.00 21.11 C ATOM 700 CD LYS A 44 7.022 -1.139 18.474 1.00 34.42 C ATOM 701 CE LYS A 44 6.078 -0.079 19.050 1.00 5.11 C ATOM 702 NZ LYS A 44 6.185 1.233 18.353 1.00 22.10 N ATOM 0 H LYS A 44 8.682 1.022 16.815 1.00 52.13 H new ATOM 0 HA LYS A 44 8.740 -1.619 15.573 1.00 71.10 H new ATOM 0 HB2 LYS A 44 6.585 0.360 16.317 1.00 53.20 H new ATOM 0 HB3 LYS A 44 6.240 -0.877 15.125 1.00 53.20 H new ATOM 0 HG2 LYS A 44 5.504 -1.839 17.127 1.00 21.11 H new ATOM 0 HG3 LYS A 44 7.073 -2.579 16.882 1.00 21.11 H new ATOM 0 HD2 LYS A 44 7.079 -1.983 19.161 1.00 34.42 H new ATOM 0 HD3 LYS A 44 8.027 -0.723 18.397 1.00 34.42 H new ATOM 0 HE2 LYS A 44 5.051 -0.438 18.981 1.00 5.11 H new ATOM 0 HE3 LYS A 44 6.297 0.059 20.109 1.00 5.11 H new ATOM 0 HZ1 LYS A 44 6.031 2.002 19.036 1.00 22.10 H new ATOM 0 HZ2 LYS A 44 7.132 1.327 17.933 1.00 22.10 H new ATOM 0 HZ3 LYS A 44 5.467 1.287 17.603 1.00 22.10 H new ATOM 716 N ARG A 45 8.769 -0.996 13.158 1.00 1.04 N ATOM 717 CA ARG A 45 8.798 -0.681 11.728 1.00 43.12 C ATOM 718 C ARG A 45 8.084 -1.774 10.924 1.00 0.13 C ATOM 719 O ARG A 45 8.643 -2.843 10.667 1.00 30.40 O ATOM 720 CB ARG A 45 10.244 -0.514 11.244 1.00 4.03 C ATOM 721 CG ARG A 45 10.370 -0.165 9.762 1.00 50.51 C ATOM 722 CD ARG A 45 11.816 0.130 9.382 1.00 53.03 C ATOM 723 NE ARG A 45 12.338 1.291 10.103 1.00 3.32 N ATOM 724 CZ ARG A 45 13.361 1.259 10.919 1.00 0.14 C ATOM 725 NH1 ARG A 45 13.997 0.153 11.141 1.00 71.45 N ATOM 726 NH2 ARG A 45 13.741 2.342 11.514 1.00 70.35 N ATOM 0 H ARG A 45 9.047 -1.952 13.380 1.00 1.04 H new ATOM 0 HA ARG A 45 8.272 0.261 11.571 1.00 43.12 H new ATOM 0 HB2 ARG A 45 10.725 0.268 11.832 1.00 4.03 H new ATOM 0 HB3 ARG A 45 10.789 -1.438 11.436 1.00 4.03 H new ATOM 0 HG2 ARG A 45 9.995 -0.992 9.159 1.00 50.51 H new ATOM 0 HG3 ARG A 45 9.749 0.702 9.537 1.00 50.51 H new ATOM 0 HD2 ARG A 45 12.434 -0.741 9.598 1.00 53.03 H new ATOM 0 HD3 ARG A 45 11.881 0.308 8.309 1.00 53.03 H new ATOM 0 HE ARG A 45 11.873 2.187 9.960 1.00 3.32 H new ATOM 0 HH11 ARG A 45 13.702 -0.707 10.678 1.00 71.45 H new ATOM 0 HH12 ARG A 45 14.793 0.141 11.779 1.00 71.45 H new ATOM 0 HH21 ARG A 45 13.244 3.217 11.347 1.00 70.35 H new ATOM 0 HH22 ARG A 45 14.538 2.321 12.151 1.00 70.35 H new ATOM 740 N PHE A 46 6.839 -1.505 10.550 1.00 24.43 N ATOM 741 CA PHE A 46 6.036 -2.467 9.792 1.00 34.35 C ATOM 742 C PHE A 46 6.087 -2.165 8.289 1.00 70.45 C ATOM 743 O PHE A 46 5.883 -1.026 7.864 1.00 53.22 O ATOM 744 CB PHE A 46 4.583 -2.450 10.287 1.00 41.35 C ATOM 745 CG PHE A 46 4.434 -2.834 11.738 1.00 12.44 C ATOM 746 CD1 PHE A 46 4.583 -1.887 12.739 1.00 60.31 C ATOM 747 CD2 PHE A 46 4.149 -4.142 12.102 1.00 33.31 C ATOM 748 CE1 PHE A 46 4.448 -2.233 14.068 1.00 53.21 C ATOM 749 CE2 PHE A 46 4.013 -4.492 13.434 1.00 62.52 C ATOM 750 CZ PHE A 46 4.164 -3.536 14.416 1.00 2.03 C ATOM 0 H PHE A 46 6.360 -0.629 10.758 1.00 24.43 H new ATOM 0 HA PHE A 46 6.455 -3.460 9.953 1.00 34.35 H new ATOM 0 HB2 PHE A 46 4.170 -1.452 10.140 1.00 41.35 H new ATOM 0 HB3 PHE A 46 3.992 -3.133 9.677 1.00 41.35 H new ATOM 0 HD1 PHE A 46 4.808 -0.864 12.475 1.00 60.31 H new ATOM 0 HD2 PHE A 46 4.032 -4.896 11.337 1.00 33.31 H new ATOM 0 HE1 PHE A 46 4.565 -1.482 14.836 1.00 53.21 H new ATOM 0 HE2 PHE A 46 3.789 -5.513 13.704 1.00 62.52 H new ATOM 0 HZ PHE A 46 4.060 -3.808 15.456 1.00 2.03 H new ATOM 760 N VAL A 47 6.374 -3.190 7.492 1.00 61.54 N ATOM 761 CA VAL A 47 6.402 -3.063 6.032 1.00 53.02 C ATOM 762 C VAL A 47 5.224 -3.820 5.406 1.00 60.21 C ATOM 763 O VAL A 47 5.147 -5.048 5.499 1.00 53.22 O ATOM 764 CB VAL A 47 7.730 -3.605 5.441 1.00 51.24 C ATOM 765 CG1 VAL A 47 7.763 -3.440 3.921 1.00 22.33 C ATOM 766 CG2 VAL A 47 8.927 -2.910 6.092 1.00 33.31 C ATOM 0 H VAL A 47 6.593 -4.126 7.833 1.00 61.54 H new ATOM 0 HA VAL A 47 6.323 -2.002 5.796 1.00 53.02 H new ATOM 0 HB VAL A 47 7.791 -4.671 5.660 1.00 51.24 H new ATOM 0 HG11 VAL A 47 8.705 -3.828 3.533 1.00 22.33 H new ATOM 0 HG12 VAL A 47 6.934 -3.990 3.477 1.00 22.33 H new ATOM 0 HG13 VAL A 47 7.674 -2.384 3.668 1.00 22.33 H new ATOM 0 HG21 VAL A 47 9.851 -3.302 5.666 1.00 33.31 H new ATOM 0 HG22 VAL A 47 8.869 -1.837 5.908 1.00 33.31 H new ATOM 0 HG23 VAL A 47 8.915 -3.095 7.166 1.00 33.31 H new ATOM 776 N MET A 48 4.310 -3.082 4.780 1.00 25.15 N ATOM 777 CA MET A 48 3.114 -3.673 4.163 1.00 33.32 C ATOM 778 C MET A 48 3.218 -3.652 2.630 1.00 44.43 C ATOM 779 O MET A 48 3.810 -2.738 2.052 1.00 42.22 O ATOM 780 CB MET A 48 1.859 -2.909 4.606 1.00 32.02 C ATOM 781 CG MET A 48 1.674 -2.850 6.119 1.00 40.33 C ATOM 782 SD MET A 48 1.260 -4.449 6.843 1.00 62.41 S ATOM 783 CE MET A 48 -0.394 -4.703 6.198 1.00 43.40 C ATOM 0 H MET A 48 4.371 -2.068 4.684 1.00 25.15 H new ATOM 0 HA MET A 48 3.042 -4.710 4.491 1.00 33.32 H new ATOM 0 HB2 MET A 48 1.908 -1.892 4.216 1.00 32.02 H new ATOM 0 HB3 MET A 48 0.983 -3.380 4.161 1.00 32.02 H new ATOM 0 HG2 MET A 48 2.590 -2.477 6.577 1.00 40.33 H new ATOM 0 HG3 MET A 48 0.885 -2.136 6.355 1.00 40.33 H new ATOM 0 HE1 MET A 48 -0.845 -5.569 6.683 1.00 43.40 H new ATOM 0 HE2 MET A 48 -1.001 -3.820 6.396 1.00 43.40 H new ATOM 0 HE3 MET A 48 -0.343 -4.875 5.123 1.00 43.40 H new ATOM 793 N GLU A 49 2.641 -4.657 1.979 1.00 71.01 N ATOM 794 CA GLU A 49 2.648 -4.743 0.511 1.00 31.14 C ATOM 795 C GLU A 49 1.233 -4.671 -0.061 1.00 74.21 C ATOM 796 O GLU A 49 0.336 -5.380 0.390 1.00 33.05 O ATOM 797 CB GLU A 49 3.314 -6.050 0.055 1.00 40.35 C ATOM 798 CG GLU A 49 3.306 -6.258 -1.460 1.00 5.20 C ATOM 799 CD GLU A 49 3.972 -7.560 -1.887 1.00 31.42 C ATOM 800 OE1 GLU A 49 5.216 -7.633 -1.840 1.00 2.14 O ATOM 801 OE2 GLU A 49 3.253 -8.510 -2.288 1.00 31.32 O ATOM 0 H GLU A 49 2.160 -5.429 2.441 1.00 71.01 H new ATOM 0 HA GLU A 49 3.216 -3.891 0.137 1.00 31.14 H new ATOM 0 HB2 GLU A 49 4.345 -6.062 0.407 1.00 40.35 H new ATOM 0 HB3 GLU A 49 2.805 -6.889 0.529 1.00 40.35 H new ATOM 0 HG2 GLU A 49 2.276 -6.249 -1.817 1.00 5.20 H new ATOM 0 HG3 GLU A 49 3.816 -5.422 -1.938 1.00 5.20 H new ATOM 808 N VAL A 50 1.036 -3.806 -1.052 1.00 53.12 N ATOM 809 CA VAL A 50 -0.225 -3.752 -1.790 1.00 3.23 C ATOM 810 C VAL A 50 0.008 -4.013 -3.287 1.00 21.33 C ATOM 811 O VAL A 50 0.766 -3.300 -3.948 1.00 1.14 O ATOM 812 CB VAL A 50 -0.956 -2.397 -1.594 1.00 61.52 C ATOM 813 CG1 VAL A 50 -0.086 -1.221 -2.039 1.00 41.33 C ATOM 814 CG2 VAL A 50 -2.296 -2.397 -2.332 1.00 10.42 C ATOM 0 H VAL A 50 1.734 -3.131 -1.364 1.00 53.12 H new ATOM 0 HA VAL A 50 -0.865 -4.537 -1.386 1.00 3.23 H new ATOM 0 HB VAL A 50 -1.150 -2.274 -0.529 1.00 61.52 H new ATOM 0 HG11 VAL A 50 -0.630 -0.288 -1.888 1.00 41.33 H new ATOM 0 HG12 VAL A 50 0.832 -1.205 -1.452 1.00 41.33 H new ATOM 0 HG13 VAL A 50 0.160 -1.330 -3.095 1.00 41.33 H new ATOM 0 HG21 VAL A 50 -2.794 -1.439 -2.183 1.00 10.42 H new ATOM 0 HG22 VAL A 50 -2.125 -2.555 -3.397 1.00 10.42 H new ATOM 0 HG23 VAL A 50 -2.926 -3.197 -1.943 1.00 10.42 H new ATOM 824 N GLU A 51 -0.613 -5.065 -3.809 1.00 54.40 N ATOM 825 CA GLU A 51 -0.519 -5.376 -5.237 1.00 54.25 C ATOM 826 C GLU A 51 -1.653 -4.702 -6.013 1.00 33.31 C ATOM 827 O GLU A 51 -2.832 -5.019 -5.827 1.00 54.41 O ATOM 828 CB GLU A 51 -0.523 -6.897 -5.465 1.00 34.42 C ATOM 829 CG GLU A 51 -0.337 -7.314 -6.929 1.00 2.41 C ATOM 830 CD GLU A 51 -1.649 -7.552 -7.669 1.00 43.23 C ATOM 831 OE1 GLU A 51 -2.186 -8.679 -7.579 1.00 12.14 O ATOM 832 OE2 GLU A 51 -2.141 -6.625 -8.345 1.00 65.02 O ATOM 0 H GLU A 51 -1.185 -5.716 -3.271 1.00 54.40 H new ATOM 0 HA GLU A 51 0.426 -4.983 -5.611 1.00 54.25 H new ATOM 0 HB2 GLU A 51 0.271 -7.345 -4.868 1.00 34.42 H new ATOM 0 HB3 GLU A 51 -1.465 -7.305 -5.100 1.00 34.42 H new ATOM 0 HG2 GLU A 51 0.228 -6.541 -7.449 1.00 2.41 H new ATOM 0 HG3 GLU A 51 0.261 -8.225 -6.965 1.00 2.41 H new ATOM 839 N VAL A 52 -1.281 -3.761 -6.872 1.00 74.22 N ATOM 840 CA VAL A 52 -2.239 -2.996 -7.668 1.00 34.23 C ATOM 841 C VAL A 52 -1.895 -3.081 -9.159 1.00 50.54 C ATOM 842 O VAL A 52 -0.751 -2.839 -9.545 1.00 5.33 O ATOM 843 CB VAL A 52 -2.246 -1.504 -7.249 1.00 43.13 C ATOM 844 CG1 VAL A 52 -3.324 -0.724 -7.998 1.00 63.11 C ATOM 845 CG2 VAL A 52 -2.428 -1.365 -5.743 1.00 63.12 C ATOM 0 H VAL A 52 -0.308 -3.505 -7.038 1.00 74.22 H new ATOM 0 HA VAL A 52 -3.224 -3.428 -7.490 1.00 34.23 H new ATOM 0 HB VAL A 52 -1.279 -1.079 -7.517 1.00 43.13 H new ATOM 0 HG11 VAL A 52 -3.304 0.319 -7.682 1.00 63.11 H new ATOM 0 HG12 VAL A 52 -3.137 -0.782 -9.070 1.00 63.11 H new ATOM 0 HG13 VAL A 52 -4.302 -1.151 -7.777 1.00 63.11 H new ATOM 0 HG21 VAL A 52 -2.430 -0.309 -5.473 1.00 63.12 H new ATOM 0 HG22 VAL A 52 -3.375 -1.817 -5.448 1.00 63.12 H new ATOM 0 HG23 VAL A 52 -1.610 -1.870 -5.229 1.00 63.12 H new ATOM 855 N ASP A 53 -2.877 -3.438 -9.987 1.00 21.54 N ATOM 856 CA ASP A 53 -2.694 -3.464 -11.445 1.00 74.32 C ATOM 857 C ASP A 53 -1.646 -4.530 -11.846 1.00 32.01 C ATOM 858 O ASP A 53 -1.022 -4.447 -12.905 1.00 42.23 O ATOM 859 CB ASP A 53 -2.266 -2.059 -11.927 1.00 31.20 C ATOM 860 CG ASP A 53 -2.855 -1.670 -13.274 1.00 74.51 C ATOM 861 OD1 ASP A 53 -2.460 -2.256 -14.299 1.00 21.21 O ATOM 862 OD2 ASP A 53 -3.701 -0.750 -13.312 1.00 50.11 O ATOM 0 H ASP A 53 -3.809 -3.714 -9.677 1.00 21.54 H new ATOM 0 HA ASP A 53 -3.636 -3.734 -11.923 1.00 74.32 H new ATOM 0 HB2 ASP A 53 -2.566 -1.322 -11.182 1.00 31.20 H new ATOM 0 HB3 ASP A 53 -1.179 -2.022 -11.991 1.00 31.20 H new ATOM 867 N GLY A 54 -1.466 -5.537 -10.988 1.00 33.30 N ATOM 868 CA GLY A 54 -0.454 -6.567 -11.223 1.00 52.04 C ATOM 869 C GLY A 54 0.951 -6.125 -10.811 1.00 35.43 C ATOM 870 O GLY A 54 1.945 -6.777 -11.141 1.00 30.35 O ATOM 0 H GLY A 54 -2.004 -5.660 -10.130 1.00 33.30 H new ATOM 0 HA2 GLY A 54 -0.723 -7.467 -10.670 1.00 52.04 H new ATOM 0 HA3 GLY A 54 -0.451 -6.832 -12.280 1.00 52.04 H new ATOM 874 N GLN A 55 1.027 -5.016 -10.080 1.00 65.10 N ATOM 875 CA GLN A 55 2.303 -4.423 -9.663 1.00 43.41 C ATOM 876 C GLN A 55 2.348 -4.237 -8.135 1.00 72.11 C ATOM 877 O GLN A 55 1.443 -3.643 -7.550 1.00 11.53 O ATOM 878 CB GLN A 55 2.483 -3.070 -10.370 1.00 54.15 C ATOM 879 CG GLN A 55 2.538 -3.176 -11.896 1.00 34.22 C ATOM 880 CD GLN A 55 2.363 -1.840 -12.601 1.00 43.24 C ATOM 881 OE1 GLN A 55 1.138 -1.521 -12.968 1.00 23.12 O flip ATOM 882 NE2 GLN A 55 3.321 -1.112 -12.836 1.00 52.41 N flip ATOM 0 H GLN A 55 0.208 -4.500 -9.758 1.00 65.10 H new ATOM 0 HA GLN A 55 3.116 -5.094 -9.942 1.00 43.41 H new ATOM 0 HB2 GLN A 55 1.661 -2.411 -10.090 1.00 54.15 H new ATOM 0 HB3 GLN A 55 3.401 -2.603 -10.014 1.00 54.15 H new ATOM 0 HG2 GLN A 55 3.494 -3.610 -12.188 1.00 34.22 H new ATOM 0 HG3 GLN A 55 1.760 -3.861 -12.233 1.00 34.22 H new ATOM 0 HE21 GLN A 55 4.257 -1.388 -12.538 1.00 52.41 H new ATOM 0 HE22 GLN A 55 3.182 -0.230 -13.329 1.00 52.41 H new ATOM 891 N LYS A 56 3.394 -4.753 -7.491 1.00 64.44 N ATOM 892 CA LYS A 56 3.538 -4.636 -6.030 1.00 22.31 C ATOM 893 C LYS A 56 4.148 -3.293 -5.601 1.00 51.22 C ATOM 894 O LYS A 56 5.112 -2.810 -6.198 1.00 14.40 O ATOM 895 CB LYS A 56 4.397 -5.775 -5.464 1.00 41.42 C ATOM 896 CG LYS A 56 3.640 -7.074 -5.210 1.00 44.33 C ATOM 897 CD LYS A 56 3.376 -7.873 -6.479 1.00 60.40 C ATOM 898 CE LYS A 56 2.781 -9.237 -6.147 1.00 63.41 C ATOM 899 NZ LYS A 56 3.622 -9.979 -5.168 1.00 33.12 N ATOM 0 H LYS A 56 4.154 -5.255 -7.950 1.00 64.44 H new ATOM 0 HA LYS A 56 2.528 -4.698 -5.625 1.00 22.31 H new ATOM 0 HB2 LYS A 56 5.214 -5.975 -6.157 1.00 41.42 H new ATOM 0 HB3 LYS A 56 4.847 -5.443 -4.528 1.00 41.42 H new ATOM 0 HG2 LYS A 56 4.210 -7.689 -4.513 1.00 44.33 H new ATOM 0 HG3 LYS A 56 2.689 -6.845 -4.728 1.00 44.33 H new ATOM 0 HD2 LYS A 56 2.694 -7.321 -7.126 1.00 60.40 H new ATOM 0 HD3 LYS A 56 4.306 -8.002 -7.033 1.00 60.40 H new ATOM 0 HE2 LYS A 56 1.778 -9.108 -5.741 1.00 63.41 H new ATOM 0 HE3 LYS A 56 2.682 -9.823 -7.060 1.00 63.41 H new ATOM 0 HZ1 LYS A 56 3.410 -10.995 -5.229 1.00 33.12 H new ATOM 0 HZ2 LYS A 56 4.627 -9.821 -5.384 1.00 33.12 H new ATOM 0 HZ3 LYS A 56 3.417 -9.639 -4.207 1.00 33.12 H new ATOM 913 N PHE A 57 3.576 -2.708 -4.549 1.00 13.35 N ATOM 914 CA PHE A 57 4.111 -1.491 -3.929 1.00 74.35 C ATOM 915 C PHE A 57 4.155 -1.641 -2.397 1.00 61.30 C ATOM 916 O PHE A 57 3.131 -1.893 -1.760 1.00 2.21 O ATOM 917 CB PHE A 57 3.251 -0.278 -4.314 1.00 72.10 C ATOM 918 CG PHE A 57 3.159 -0.047 -5.805 1.00 24.20 C ATOM 919 CD1 PHE A 57 4.142 0.672 -6.473 1.00 32.12 C ATOM 920 CD2 PHE A 57 2.093 -0.551 -6.537 1.00 34.30 C ATOM 921 CE1 PHE A 57 4.060 0.880 -7.837 1.00 74.40 C ATOM 922 CE2 PHE A 57 2.008 -0.344 -7.900 1.00 1.20 C ATOM 923 CZ PHE A 57 2.991 0.372 -8.551 1.00 53.13 C ATOM 0 H PHE A 57 2.730 -3.062 -4.102 1.00 13.35 H new ATOM 0 HA PHE A 57 5.126 -1.335 -4.293 1.00 74.35 H new ATOM 0 HB2 PHE A 57 2.246 -0.414 -3.914 1.00 72.10 H new ATOM 0 HB3 PHE A 57 3.664 0.613 -3.842 1.00 72.10 H new ATOM 0 HD1 PHE A 57 4.979 1.073 -5.921 1.00 32.12 H new ATOM 0 HD2 PHE A 57 1.320 -1.113 -6.034 1.00 34.30 H new ATOM 0 HE1 PHE A 57 4.831 1.440 -8.345 1.00 74.40 H new ATOM 0 HE2 PHE A 57 1.172 -0.743 -8.456 1.00 1.20 H new ATOM 0 HZ PHE A 57 2.926 0.535 -9.617 1.00 53.13 H new ATOM 933 N GLN A 58 5.343 -1.498 -1.809 1.00 65.51 N ATOM 934 CA GLN A 58 5.510 -1.657 -0.356 1.00 61.41 C ATOM 935 C GLN A 58 5.762 -0.315 0.352 1.00 14.40 C ATOM 936 O GLN A 58 6.326 0.620 -0.225 1.00 13.21 O ATOM 937 CB GLN A 58 6.659 -2.635 -0.058 1.00 53.21 C ATOM 938 CG GLN A 58 6.327 -4.095 -0.371 1.00 5.21 C ATOM 939 CD GLN A 58 7.477 -5.052 -0.085 1.00 54.50 C ATOM 940 OE1 GLN A 58 8.320 -4.798 0.770 1.00 4.44 O ATOM 941 NE2 GLN A 58 7.506 -6.173 -0.781 1.00 55.22 N ATOM 0 H GLN A 58 6.203 -1.273 -2.310 1.00 65.51 H new ATOM 0 HA GLN A 58 4.576 -2.061 0.035 1.00 61.41 H new ATOM 0 HB2 GLN A 58 7.534 -2.339 -0.637 1.00 53.21 H new ATOM 0 HB3 GLN A 58 6.930 -2.552 0.994 1.00 53.21 H new ATOM 0 HG2 GLN A 58 5.459 -4.396 0.216 1.00 5.21 H new ATOM 0 HG3 GLN A 58 6.047 -4.179 -1.421 1.00 5.21 H new ATOM 0 HE21 GLN A 58 6.791 -6.355 -1.485 1.00 55.22 H new ATOM 0 HE22 GLN A 58 8.244 -6.857 -0.615 1.00 55.22 H new ATOM 950 N GLY A 59 5.338 -0.238 1.613 1.00 52.21 N ATOM 951 CA GLY A 59 5.543 0.964 2.419 1.00 10.04 C ATOM 952 C GLY A 59 5.863 0.639 3.875 1.00 72.32 C ATOM 953 O GLY A 59 5.433 -0.393 4.394 1.00 11.24 O ATOM 0 H GLY A 59 4.851 -0.992 2.097 1.00 52.21 H new ATOM 0 HA2 GLY A 59 6.357 1.550 1.993 1.00 10.04 H new ATOM 0 HA3 GLY A 59 4.648 1.584 2.376 1.00 10.04 H new ATOM 957 N ALA A 60 6.608 1.523 4.541 1.00 74.02 N ATOM 958 CA ALA A 60 7.037 1.285 5.927 1.00 43.41 C ATOM 959 C ALA A 60 6.598 2.414 6.873 1.00 41.43 C ATOM 960 O ALA A 60 6.755 3.599 6.565 1.00 14.42 O ATOM 961 CB ALA A 60 8.552 1.104 5.983 1.00 11.00 C ATOM 0 H ALA A 60 6.928 2.408 4.148 1.00 74.02 H new ATOM 0 HA ALA A 60 6.550 0.372 6.268 1.00 43.41 H new ATOM 0 HB1 ALA A 60 8.860 0.928 7.014 1.00 11.00 H new ATOM 0 HB2 ALA A 60 8.840 0.251 5.368 1.00 11.00 H new ATOM 0 HB3 ALA A 60 9.040 2.003 5.607 1.00 11.00 H new ATOM 967 N GLY A 61 6.056 2.036 8.027 1.00 31.30 N ATOM 968 CA GLY A 61 5.627 3.019 9.020 1.00 24.21 C ATOM 969 C GLY A 61 5.682 2.483 10.449 1.00 13.34 C ATOM 970 O GLY A 61 5.954 1.299 10.664 1.00 43.51 O ATOM 0 H GLY A 61 5.904 1.064 8.298 1.00 31.30 H new ATOM 0 HA2 GLY A 61 6.259 3.904 8.945 1.00 24.21 H new ATOM 0 HA3 GLY A 61 4.608 3.335 8.795 1.00 24.21 H new ATOM 974 N SER A 62 5.422 3.355 11.425 1.00 34.13 N ATOM 975 CA SER A 62 5.438 2.969 12.849 1.00 14.14 C ATOM 976 C SER A 62 4.412 1.866 13.164 1.00 41.05 C ATOM 977 O SER A 62 4.561 1.126 14.138 1.00 35.42 O ATOM 978 CB SER A 62 5.174 4.189 13.745 1.00 12.11 C ATOM 979 OG SER A 62 6.185 5.175 13.590 1.00 23.12 O ATOM 0 H SER A 62 5.197 4.336 11.261 1.00 34.13 H new ATOM 0 HA SER A 62 6.432 2.572 13.056 1.00 14.14 H new ATOM 0 HB2 SER A 62 4.203 4.619 13.499 1.00 12.11 H new ATOM 0 HB3 SER A 62 5.128 3.874 14.787 1.00 12.11 H new ATOM 0 HG SER A 62 5.989 5.939 14.171 1.00 23.12 H new ATOM 985 N ASN A 63 3.371 1.763 12.340 1.00 24.51 N ATOM 986 CA ASN A 63 2.361 0.704 12.485 1.00 61.11 C ATOM 987 C ASN A 63 1.845 0.243 11.110 1.00 15.42 C ATOM 988 O ASN A 63 2.035 0.933 10.106 1.00 24.03 O ATOM 989 CB ASN A 63 1.191 1.170 13.363 1.00 75.25 C ATOM 990 CG ASN A 63 0.499 2.397 12.810 1.00 44.12 C ATOM 991 OD1 ASN A 63 -0.401 2.300 11.984 1.00 73.44 O ATOM 992 ND2 ASN A 63 0.907 3.563 13.265 1.00 62.04 N ATOM 0 H ASN A 63 3.200 2.399 11.561 1.00 24.51 H new ATOM 0 HA ASN A 63 2.841 -0.143 12.976 1.00 61.11 H new ATOM 0 HB2 ASN A 63 0.467 0.361 13.456 1.00 75.25 H new ATOM 0 HB3 ASN A 63 1.558 1.386 14.366 1.00 75.25 H new ATOM 0 HD21 ASN A 63 0.471 4.422 12.930 1.00 62.04 H new ATOM 0 HD22 ASN A 63 1.659 3.607 13.953 1.00 62.04 H new ATOM 999 N LYS A 64 1.185 -0.918 11.078 1.00 14.20 N ATOM 1000 CA LYS A 64 0.696 -1.514 9.824 1.00 44.24 C ATOM 1001 C LYS A 64 -0.220 -0.559 9.041 1.00 52.31 C ATOM 1002 O LYS A 64 -0.092 -0.430 7.827 1.00 10.45 O ATOM 1003 CB LYS A 64 -0.051 -2.824 10.117 1.00 21.04 C ATOM 1004 CG LYS A 64 0.815 -3.887 10.790 1.00 20.30 C ATOM 1005 CD LYS A 64 0.018 -5.141 11.146 1.00 53.31 C ATOM 1006 CE LYS A 64 -0.492 -5.874 9.911 1.00 52.22 C ATOM 1007 NZ LYS A 64 -1.253 -7.099 10.270 1.00 14.45 N ATOM 0 H LYS A 64 0.974 -1.469 11.910 1.00 14.20 H new ATOM 0 HA LYS A 64 1.569 -1.716 9.203 1.00 44.24 H new ATOM 0 HB2 LYS A 64 -0.908 -2.608 10.755 1.00 21.04 H new ATOM 0 HB3 LYS A 64 -0.443 -3.225 9.182 1.00 21.04 H new ATOM 0 HG2 LYS A 64 1.637 -4.157 10.127 1.00 20.30 H new ATOM 0 HG3 LYS A 64 1.259 -3.472 11.695 1.00 20.30 H new ATOM 0 HD2 LYS A 64 0.645 -5.813 11.731 1.00 53.31 H new ATOM 0 HD3 LYS A 64 -0.827 -4.865 11.776 1.00 53.31 H new ATOM 0 HE2 LYS A 64 -1.130 -5.207 9.330 1.00 52.22 H new ATOM 0 HE3 LYS A 64 0.351 -6.143 9.275 1.00 52.22 H new ATOM 0 HZ1 LYS A 64 -1.583 -7.569 9.403 1.00 14.45 H new ATOM 0 HZ2 LYS A 64 -0.637 -7.747 10.802 1.00 14.45 H new ATOM 0 HZ3 LYS A 64 -2.072 -6.840 10.856 1.00 14.45 H new ATOM 1021 N LYS A 65 -1.135 0.109 9.740 1.00 60.00 N ATOM 1022 CA LYS A 65 -2.090 1.025 9.098 1.00 35.30 C ATOM 1023 C LYS A 65 -1.371 2.190 8.398 1.00 54.21 C ATOM 1024 O LYS A 65 -1.640 2.494 7.232 1.00 60.03 O ATOM 1025 CB LYS A 65 -3.083 1.558 10.139 1.00 52.24 C ATOM 1026 CG LYS A 65 -3.832 0.448 10.871 1.00 44.23 C ATOM 1027 CD LYS A 65 -4.766 0.994 11.948 1.00 3.32 C ATOM 1028 CE LYS A 65 -5.426 -0.136 12.730 1.00 23.12 C ATOM 1029 NZ LYS A 65 -6.337 0.367 13.791 1.00 51.12 N ATOM 0 H LYS A 65 -1.240 0.037 10.752 1.00 60.00 H new ATOM 0 HA LYS A 65 -2.633 0.467 8.335 1.00 35.30 H new ATOM 0 HB2 LYS A 65 -2.547 2.168 10.866 1.00 52.24 H new ATOM 0 HB3 LYS A 65 -3.803 2.211 9.645 1.00 52.24 H new ATOM 0 HG2 LYS A 65 -4.410 -0.133 10.152 1.00 44.23 H new ATOM 0 HG3 LYS A 65 -3.113 -0.233 11.327 1.00 44.23 H new ATOM 0 HD2 LYS A 65 -4.205 1.632 12.630 1.00 3.32 H new ATOM 0 HD3 LYS A 65 -5.533 1.617 11.487 1.00 3.32 H new ATOM 0 HE2 LYS A 65 -5.987 -0.770 12.044 1.00 23.12 H new ATOM 0 HE3 LYS A 65 -4.655 -0.760 13.182 1.00 23.12 H new ATOM 0 HZ1 LYS A 65 -6.761 -0.438 14.295 1.00 51.12 H new ATOM 0 HZ2 LYS A 65 -5.799 0.951 14.463 1.00 51.12 H new ATOM 0 HZ3 LYS A 65 -7.089 0.941 13.359 1.00 51.12 H new ATOM 1043 N VAL A 66 -0.457 2.836 9.116 1.00 35.53 N ATOM 1044 CA VAL A 66 0.362 3.909 8.540 1.00 61.55 C ATOM 1045 C VAL A 66 1.253 3.383 7.397 1.00 23.03 C ATOM 1046 O VAL A 66 1.448 4.060 6.383 1.00 74.54 O ATOM 1047 CB VAL A 66 1.235 4.591 9.629 1.00 13.03 C ATOM 1048 CG1 VAL A 66 2.226 5.571 9.006 1.00 25.02 C ATOM 1049 CG2 VAL A 66 0.351 5.303 10.654 1.00 41.11 C ATOM 0 H VAL A 66 -0.261 2.639 10.097 1.00 35.53 H new ATOM 0 HA VAL A 66 -0.320 4.652 8.127 1.00 61.55 H new ATOM 0 HB VAL A 66 1.805 3.814 10.139 1.00 13.03 H new ATOM 0 HG11 VAL A 66 2.823 6.033 9.792 1.00 25.02 H new ATOM 0 HG12 VAL A 66 2.882 5.037 8.318 1.00 25.02 H new ATOM 0 HG13 VAL A 66 1.681 6.343 8.463 1.00 25.02 H new ATOM 0 HG21 VAL A 66 0.978 5.775 11.410 1.00 41.11 H new ATOM 0 HG22 VAL A 66 -0.248 6.063 10.152 1.00 41.11 H new ATOM 0 HG23 VAL A 66 -0.309 4.578 11.131 1.00 41.11 H new ATOM 1059 N ALA A 67 1.776 2.170 7.561 1.00 25.15 N ATOM 1060 CA ALA A 67 2.572 1.519 6.513 1.00 44.42 C ATOM 1061 C ALA A 67 1.724 1.261 5.258 1.00 63.11 C ATOM 1062 O ALA A 67 2.192 1.431 4.130 1.00 71.44 O ATOM 1063 CB ALA A 67 3.166 0.220 7.041 1.00 62.23 C ATOM 0 H ALA A 67 1.665 1.614 8.409 1.00 25.15 H new ATOM 0 HA ALA A 67 3.386 2.187 6.231 1.00 44.42 H new ATOM 0 HB1 ALA A 67 3.755 -0.256 6.257 1.00 62.23 H new ATOM 0 HB2 ALA A 67 3.807 0.434 7.896 1.00 62.23 H new ATOM 0 HB3 ALA A 67 2.362 -0.449 7.348 1.00 62.23 H new ATOM 1069 N LYS A 68 0.467 0.863 5.466 1.00 64.23 N ATOM 1070 CA LYS A 68 -0.490 0.681 4.367 1.00 64.24 C ATOM 1071 C LYS A 68 -0.713 1.999 3.615 1.00 4.02 C ATOM 1072 O LYS A 68 -0.875 2.010 2.396 1.00 11.33 O ATOM 1073 CB LYS A 68 -1.834 0.158 4.904 1.00 51.21 C ATOM 1074 CG LYS A 68 -1.780 -1.279 5.416 1.00 44.30 C ATOM 1075 CD LYS A 68 -3.089 -1.701 6.086 1.00 13.45 C ATOM 1076 CE LYS A 68 -4.286 -1.578 5.145 1.00 53.42 C ATOM 1077 NZ LYS A 68 -5.528 -2.121 5.752 1.00 62.02 N ATOM 0 H LYS A 68 0.085 0.659 6.389 1.00 64.23 H new ATOM 0 HA LYS A 68 -0.072 -0.051 3.676 1.00 64.24 H new ATOM 0 HB2 LYS A 68 -2.169 0.809 5.712 1.00 51.21 H new ATOM 0 HB3 LYS A 68 -2.580 0.223 4.112 1.00 51.21 H new ATOM 0 HG2 LYS A 68 -1.565 -1.951 4.585 1.00 44.30 H new ATOM 0 HG3 LYS A 68 -0.960 -1.379 6.127 1.00 44.30 H new ATOM 0 HD2 LYS A 68 -3.003 -2.732 6.429 1.00 13.45 H new ATOM 0 HD3 LYS A 68 -3.258 -1.084 6.969 1.00 13.45 H new ATOM 0 HE2 LYS A 68 -4.437 -0.530 4.886 1.00 53.42 H new ATOM 0 HE3 LYS A 68 -4.074 -2.109 4.217 1.00 53.42 H new ATOM 0 HZ1 LYS A 68 -6.316 -2.018 5.081 1.00 62.02 H new ATOM 0 HZ2 LYS A 68 -5.393 -3.128 5.976 1.00 62.02 H new ATOM 0 HZ3 LYS A 68 -5.746 -1.598 6.624 1.00 62.02 H new ATOM 1091 N ALA A 69 -0.723 3.105 4.358 1.00 25.10 N ATOM 1092 CA ALA A 69 -0.863 4.439 3.766 1.00 71.24 C ATOM 1093 C ALA A 69 0.308 4.763 2.825 1.00 42.12 C ATOM 1094 O ALA A 69 0.106 5.227 1.702 1.00 54.43 O ATOM 1095 CB ALA A 69 -0.977 5.493 4.861 1.00 25.34 C ATOM 0 H ALA A 69 -0.636 3.105 5.374 1.00 25.10 H new ATOM 0 HA ALA A 69 -1.776 4.448 3.171 1.00 71.24 H new ATOM 0 HB1 ALA A 69 -1.080 6.479 4.408 1.00 25.34 H new ATOM 0 HB2 ALA A 69 -1.851 5.284 5.478 1.00 25.34 H new ATOM 0 HB3 ALA A 69 -0.081 5.471 5.482 1.00 25.34 H new ATOM 1101 N TYR A 70 1.531 4.515 3.290 1.00 21.12 N ATOM 1102 CA TYR A 70 2.731 4.740 2.469 1.00 13.41 C ATOM 1103 C TYR A 70 2.808 3.763 1.284 1.00 3.03 C ATOM 1104 O TYR A 70 3.233 4.138 0.188 1.00 61.21 O ATOM 1105 CB TYR A 70 4.000 4.639 3.325 1.00 31.42 C ATOM 1106 CG TYR A 70 4.170 5.797 4.291 1.00 45.24 C ATOM 1107 CD1 TYR A 70 4.357 7.093 3.818 1.00 24.11 C ATOM 1108 CD2 TYR A 70 4.136 5.601 5.667 1.00 64.54 C ATOM 1109 CE1 TYR A 70 4.510 8.157 4.685 1.00 2.20 C ATOM 1110 CE2 TYR A 70 4.290 6.661 6.541 1.00 64.31 C ATOM 1111 CZ TYR A 70 4.474 7.936 6.047 1.00 63.41 C ATOM 1112 OH TYR A 70 4.630 8.993 6.920 1.00 60.21 O ATOM 0 H TYR A 70 1.722 4.159 4.227 1.00 21.12 H new ATOM 0 HA TYR A 70 2.658 5.748 2.061 1.00 13.41 H new ATOM 0 HB2 TYR A 70 3.976 3.706 3.888 1.00 31.42 H new ATOM 0 HB3 TYR A 70 4.869 4.593 2.669 1.00 31.42 H new ATOM 0 HD1 TYR A 70 4.383 7.270 2.753 1.00 24.11 H new ATOM 0 HD2 TYR A 70 3.987 4.606 6.059 1.00 64.54 H new ATOM 0 HE1 TYR A 70 4.657 9.155 4.300 1.00 2.20 H new ATOM 0 HE2 TYR A 70 4.266 6.492 7.607 1.00 64.31 H new ATOM 0 HH TYR A 70 4.578 8.666 7.842 1.00 60.21 H new ATOM 1122 N ALA A 71 2.405 2.514 1.508 1.00 13.22 N ATOM 1123 CA ALA A 71 2.334 1.518 0.430 1.00 4.40 C ATOM 1124 C ALA A 71 1.334 1.952 -0.651 1.00 41.14 C ATOM 1125 O ALA A 71 1.630 1.911 -1.847 1.00 50.42 O ATOM 1126 CB ALA A 71 1.957 0.149 0.992 1.00 53.33 C ATOM 0 H ALA A 71 2.122 2.164 2.423 1.00 13.22 H new ATOM 0 HA ALA A 71 3.319 1.444 -0.031 1.00 4.40 H new ATOM 0 HB1 ALA A 71 1.909 -0.577 0.180 1.00 53.33 H new ATOM 0 HB2 ALA A 71 2.708 -0.166 1.717 1.00 53.33 H new ATOM 0 HB3 ALA A 71 0.985 0.212 1.481 1.00 53.33 H new ATOM 1132 N ALA A 72 0.155 2.385 -0.213 1.00 32.43 N ATOM 1133 CA ALA A 72 -0.873 2.901 -1.117 1.00 64.54 C ATOM 1134 C ALA A 72 -0.374 4.134 -1.886 1.00 63.14 C ATOM 1135 O ALA A 72 -0.559 4.243 -3.098 1.00 15.41 O ATOM 1136 CB ALA A 72 -2.134 3.238 -0.331 1.00 3.33 C ATOM 0 H ALA A 72 -0.115 2.389 0.771 1.00 32.43 H new ATOM 0 HA ALA A 72 -1.104 2.126 -1.848 1.00 64.54 H new ATOM 0 HB1 ALA A 72 -2.895 3.622 -1.011 1.00 3.33 H new ATOM 0 HB2 ALA A 72 -2.507 2.340 0.161 1.00 3.33 H new ATOM 0 HB3 ALA A 72 -1.904 3.994 0.420 1.00 3.33 H new ATOM 1142 N LEU A 73 0.269 5.061 -1.171 1.00 50.00 N ATOM 1143 CA LEU A 73 0.870 6.246 -1.797 1.00 23.30 C ATOM 1144 C LEU A 73 1.936 5.857 -2.829 1.00 42.12 C ATOM 1145 O LEU A 73 2.080 6.514 -3.857 1.00 53.13 O ATOM 1146 CB LEU A 73 1.470 7.179 -0.731 1.00 14.12 C ATOM 1147 CG LEU A 73 0.446 8.049 0.015 1.00 73.51 C ATOM 1148 CD1 LEU A 73 1.110 8.852 1.129 1.00 31.12 C ATOM 1149 CD2 LEU A 73 -0.270 8.975 -0.964 1.00 52.32 C ATOM 0 H LEU A 73 0.388 5.016 -0.159 1.00 50.00 H new ATOM 0 HA LEU A 73 0.077 6.779 -2.321 1.00 23.30 H new ATOM 0 HB2 LEU A 73 2.011 6.575 -0.003 1.00 14.12 H new ATOM 0 HB3 LEU A 73 2.200 7.832 -1.209 1.00 14.12 H new ATOM 0 HG LEU A 73 -0.289 7.390 0.476 1.00 73.51 H new ATOM 0 HD11 LEU A 73 0.360 9.457 1.638 1.00 31.12 H new ATOM 0 HD12 LEU A 73 1.572 8.170 1.843 1.00 31.12 H new ATOM 0 HD13 LEU A 73 1.873 9.503 0.703 1.00 31.12 H new ATOM 0 HD21 LEU A 73 -0.993 9.586 -0.424 1.00 52.32 H new ATOM 0 HD22 LEU A 73 0.459 9.622 -1.453 1.00 52.32 H new ATOM 0 HD23 LEU A 73 -0.788 8.379 -1.716 1.00 52.32 H new ATOM 1161 N ALA A 74 2.671 4.781 -2.557 1.00 12.00 N ATOM 1162 CA ALA A 74 3.658 4.263 -3.509 1.00 71.32 C ATOM 1163 C ALA A 74 2.987 3.814 -4.818 1.00 61.11 C ATOM 1164 O ALA A 74 3.571 3.922 -5.901 1.00 61.14 O ATOM 1165 CB ALA A 74 4.442 3.115 -2.883 1.00 52.04 C ATOM 0 H ALA A 74 2.604 4.250 -1.689 1.00 12.00 H new ATOM 0 HA ALA A 74 4.351 5.068 -3.752 1.00 71.32 H new ATOM 0 HB1 ALA A 74 5.172 2.739 -3.600 1.00 52.04 H new ATOM 0 HB2 ALA A 74 4.959 3.471 -1.992 1.00 52.04 H new ATOM 0 HB3 ALA A 74 3.756 2.313 -2.609 1.00 52.04 H new ATOM 1171 N ALA A 75 1.761 3.305 -4.706 1.00 5.23 N ATOM 1172 CA ALA A 75 0.967 2.917 -5.876 1.00 34.14 C ATOM 1173 C ALA A 75 0.362 4.140 -6.580 1.00 54.34 C ATOM 1174 O ALA A 75 0.389 4.241 -7.807 1.00 63.51 O ATOM 1175 CB ALA A 75 -0.134 1.946 -5.460 1.00 25.22 C ATOM 0 H ALA A 75 1.292 3.150 -3.813 1.00 5.23 H new ATOM 0 HA ALA A 75 1.632 2.425 -6.585 1.00 34.14 H new ATOM 0 HB1 ALA A 75 -0.719 1.663 -6.335 1.00 25.22 H new ATOM 0 HB2 ALA A 75 0.314 1.055 -5.019 1.00 25.22 H new ATOM 0 HB3 ALA A 75 -0.784 2.425 -4.728 1.00 25.22 H new ATOM 1181 N LEU A 76 -0.176 5.072 -5.796 1.00 14.50 N ATOM 1182 CA LEU A 76 -0.775 6.297 -6.339 1.00 41.32 C ATOM 1183 C LEU A 76 0.261 7.152 -7.095 1.00 31.45 C ATOM 1184 O LEU A 76 0.080 7.459 -8.268 1.00 41.41 O ATOM 1185 CB LEU A 76 -1.417 7.117 -5.210 1.00 53.12 C ATOM 1186 CG LEU A 76 -2.639 6.468 -4.535 1.00 3.32 C ATOM 1187 CD1 LEU A 76 -3.129 7.318 -3.366 1.00 22.12 C ATOM 1188 CD2 LEU A 76 -3.761 6.252 -5.548 1.00 30.41 C ATOM 0 H LEU A 76 -0.211 5.005 -4.779 1.00 14.50 H new ATOM 0 HA LEU A 76 -1.544 6.002 -7.053 1.00 41.32 H new ATOM 0 HB2 LEU A 76 -0.661 7.308 -4.448 1.00 53.12 H new ATOM 0 HB3 LEU A 76 -1.717 8.085 -5.612 1.00 53.12 H new ATOM 0 HG LEU A 76 -2.335 5.497 -4.145 1.00 3.32 H new ATOM 0 HD11 LEU A 76 -3.993 6.839 -2.905 1.00 22.12 H new ATOM 0 HD12 LEU A 76 -2.332 7.417 -2.629 1.00 22.12 H new ATOM 0 HD13 LEU A 76 -3.412 8.306 -3.728 1.00 22.12 H new ATOM 0 HD21 LEU A 76 -4.616 5.792 -5.052 1.00 30.41 H new ATOM 0 HD22 LEU A 76 -4.059 7.211 -5.970 1.00 30.41 H new ATOM 0 HD23 LEU A 76 -3.410 5.598 -6.346 1.00 30.41 H new ATOM 1200 N GLU A 77 1.357 7.501 -6.423 1.00 74.13 N ATOM 1201 CA GLU A 77 2.420 8.334 -7.024 1.00 52.41 C ATOM 1202 C GLU A 77 2.967 7.748 -8.341 1.00 2.40 C ATOM 1203 O GLU A 77 3.570 8.463 -9.146 1.00 53.13 O ATOM 1204 CB GLU A 77 3.579 8.503 -6.029 1.00 62.02 C ATOM 1205 CG GLU A 77 3.244 9.363 -4.814 1.00 54.25 C ATOM 1206 CD GLU A 77 3.050 10.834 -5.162 1.00 31.43 C ATOM 1207 OE1 GLU A 77 4.050 11.504 -5.503 1.00 23.54 O ATOM 1208 OE2 GLU A 77 1.913 11.336 -5.075 1.00 2.45 O ATOM 0 H GLU A 77 1.541 7.223 -5.459 1.00 74.13 H new ATOM 0 HA GLU A 77 1.969 9.299 -7.255 1.00 52.41 H new ATOM 0 HB2 GLU A 77 3.894 7.518 -5.686 1.00 62.02 H new ATOM 0 HB3 GLU A 77 4.428 8.946 -6.550 1.00 62.02 H new ATOM 0 HG2 GLU A 77 2.336 8.983 -4.346 1.00 54.25 H new ATOM 0 HG3 GLU A 77 4.044 9.271 -4.079 1.00 54.25 H new ATOM 1215 N LYS A 78 2.772 6.448 -8.547 1.00 5.22 N ATOM 1216 CA LYS A 78 3.304 5.761 -9.731 1.00 5.24 C ATOM 1217 C LYS A 78 2.216 5.559 -10.809 1.00 10.42 C ATOM 1218 O LYS A 78 2.397 5.941 -11.969 1.00 53.14 O ATOM 1219 CB LYS A 78 3.914 4.411 -9.298 1.00 45.10 C ATOM 1220 CG LYS A 78 4.763 3.706 -10.364 1.00 72.31 C ATOM 1221 CD LYS A 78 3.922 2.891 -11.345 1.00 52.01 C ATOM 1222 CE LYS A 78 4.785 2.152 -12.362 1.00 52.25 C ATOM 1223 NZ LYS A 78 5.511 3.081 -13.269 1.00 1.21 N ATOM 0 H LYS A 78 2.250 5.845 -7.912 1.00 5.22 H new ATOM 0 HA LYS A 78 4.079 6.382 -10.180 1.00 5.24 H new ATOM 0 HB2 LYS A 78 4.532 4.576 -8.415 1.00 45.10 H new ATOM 0 HB3 LYS A 78 3.105 3.744 -9.001 1.00 45.10 H new ATOM 0 HG2 LYS A 78 5.337 4.450 -10.916 1.00 72.31 H new ATOM 0 HG3 LYS A 78 5.481 3.048 -9.874 1.00 72.31 H new ATOM 0 HD2 LYS A 78 3.317 2.172 -10.793 1.00 52.01 H new ATOM 0 HD3 LYS A 78 3.232 3.553 -11.868 1.00 52.01 H new ATOM 0 HE2 LYS A 78 5.505 1.525 -11.836 1.00 52.25 H new ATOM 0 HE3 LYS A 78 4.156 1.488 -12.954 1.00 52.25 H new ATOM 0 HZ1 LYS A 78 6.016 2.534 -13.995 1.00 1.21 H new ATOM 0 HZ2 LYS A 78 4.831 3.720 -13.728 1.00 1.21 H new ATOM 0 HZ3 LYS A 78 6.194 3.640 -12.719 1.00 1.21 H new ATOM 1237 N LEU A 79 1.092 4.961 -10.420 1.00 43.20 N ATOM 1238 CA LEU A 79 0.018 4.618 -11.366 1.00 74.43 C ATOM 1239 C LEU A 79 -0.968 5.779 -11.590 1.00 72.04 C ATOM 1240 O LEU A 79 -1.556 5.904 -12.665 1.00 31.40 O ATOM 1241 CB LEU A 79 -0.746 3.382 -10.864 1.00 30.24 C ATOM 1242 CG LEU A 79 0.083 2.091 -10.756 1.00 32.03 C ATOM 1243 CD1 LEU A 79 -0.758 0.959 -10.172 1.00 2.44 C ATOM 1244 CD2 LEU A 79 0.652 1.695 -12.119 1.00 21.21 C ATOM 0 H LEU A 79 0.895 4.701 -9.454 1.00 43.20 H new ATOM 0 HA LEU A 79 0.492 4.405 -12.324 1.00 74.43 H new ATOM 0 HB2 LEU A 79 -1.164 3.608 -9.883 1.00 30.24 H new ATOM 0 HB3 LEU A 79 -1.586 3.199 -11.534 1.00 30.24 H new ATOM 0 HG LEU A 79 0.919 2.279 -10.082 1.00 32.03 H new ATOM 0 HD11 LEU A 79 -0.154 0.055 -10.104 1.00 2.44 H new ATOM 0 HD12 LEU A 79 -1.105 1.239 -9.178 1.00 2.44 H new ATOM 0 HD13 LEU A 79 -1.617 0.774 -10.817 1.00 2.44 H new ATOM 0 HD21 LEU A 79 1.235 0.779 -12.018 1.00 21.21 H new ATOM 0 HD22 LEU A 79 -0.166 1.529 -12.820 1.00 21.21 H new ATOM 0 HD23 LEU A 79 1.293 2.494 -12.492 1.00 21.21 H new ATOM 1256 N PHE A 80 -1.154 6.621 -10.574 1.00 3.42 N ATOM 1257 CA PHE A 80 -2.111 7.738 -10.657 1.00 63.21 C ATOM 1258 C PHE A 80 -1.480 9.046 -10.136 1.00 50.41 C ATOM 1259 O PHE A 80 -1.853 9.541 -9.069 1.00 12.03 O ATOM 1260 CB PHE A 80 -3.381 7.412 -9.847 1.00 44.31 C ATOM 1261 CG PHE A 80 -3.982 6.058 -10.155 1.00 41.22 C ATOM 1262 CD1 PHE A 80 -4.734 5.856 -11.306 1.00 34.31 C ATOM 1263 CD2 PHE A 80 -3.788 4.985 -9.291 1.00 43.32 C ATOM 1264 CE1 PHE A 80 -5.278 4.614 -11.585 1.00 71.41 C ATOM 1265 CE2 PHE A 80 -4.331 3.745 -9.569 1.00 61.45 C ATOM 1266 CZ PHE A 80 -5.076 3.559 -10.718 1.00 52.02 C ATOM 0 H PHE A 80 -0.659 6.556 -9.684 1.00 3.42 H new ATOM 0 HA PHE A 80 -2.378 7.877 -11.705 1.00 63.21 H new ATOM 0 HB2 PHE A 80 -3.143 7.458 -8.784 1.00 44.31 H new ATOM 0 HB3 PHE A 80 -4.129 8.181 -10.040 1.00 44.31 H new ATOM 0 HD1 PHE A 80 -4.896 6.676 -11.990 1.00 34.31 H new ATOM 0 HD2 PHE A 80 -3.206 5.123 -8.392 1.00 43.32 H new ATOM 0 HE1 PHE A 80 -5.861 4.470 -12.482 1.00 71.41 H new ATOM 0 HE2 PHE A 80 -4.173 2.921 -8.888 1.00 61.45 H new ATOM 0 HZ PHE A 80 -5.499 2.590 -10.937 1.00 52.02 H new ATOM 1276 N PRO A 81 -0.505 9.615 -10.876 1.00 23.52 N ATOM 1277 CA PRO A 81 0.239 10.804 -10.426 1.00 54.25 C ATOM 1278 C PRO A 81 -0.506 12.137 -10.650 1.00 60.03 C ATOM 1279 O PRO A 81 -0.287 13.104 -9.915 1.00 63.42 O ATOM 1280 CB PRO A 81 1.507 10.741 -11.286 1.00 15.10 C ATOM 1281 CG PRO A 81 1.060 10.113 -12.564 1.00 23.22 C ATOM 1282 CD PRO A 81 -0.038 9.140 -12.198 1.00 3.55 C ATOM 0 HA PRO A 81 0.410 10.788 -9.350 1.00 54.25 H new ATOM 0 HB2 PRO A 81 1.921 11.735 -11.456 1.00 15.10 H new ATOM 0 HB3 PRO A 81 2.285 10.149 -10.804 1.00 15.10 H new ATOM 0 HG2 PRO A 81 0.695 10.867 -13.261 1.00 23.22 H new ATOM 0 HG3 PRO A 81 1.887 9.600 -13.055 1.00 23.22 H new ATOM 0 HD2 PRO A 81 -0.842 9.150 -12.933 1.00 3.55 H new ATOM 0 HD3 PRO A 81 0.335 8.117 -12.147 1.00 3.55 H new ATOM 1290 N ASP A 82 -1.376 12.184 -11.667 1.00 21.40 N ATOM 1291 CA ASP A 82 -2.107 13.413 -12.026 1.00 52.31 C ATOM 1292 C ASP A 82 -1.155 14.605 -12.246 1.00 74.24 C ATOM 1293 O ASP A 82 -1.392 15.713 -11.754 1.00 50.54 O ATOM 1294 CB ASP A 82 -3.155 13.742 -10.953 1.00 2.05 C ATOM 1295 CG ASP A 82 -4.345 12.799 -11.003 1.00 50.50 C ATOM 1296 OD1 ASP A 82 -4.163 11.587 -10.764 1.00 12.45 O ATOM 1297 OD2 ASP A 82 -5.466 13.262 -11.307 1.00 0.03 O ATOM 0 H ASP A 82 -1.594 11.383 -12.260 1.00 21.40 H new ATOM 0 HA ASP A 82 -2.617 13.231 -12.972 1.00 52.31 H new ATOM 0 HB2 ASP A 82 -2.692 13.688 -9.968 1.00 2.05 H new ATOM 0 HB3 ASP A 82 -3.500 14.767 -11.087 1.00 2.05 H new ATOM 1302 N THR A 83 -0.084 14.368 -13.000 1.00 10.13 N ATOM 1303 CA THR A 83 0.889 15.419 -13.327 1.00 3.50 C ATOM 1304 C THR A 83 0.267 16.504 -14.226 1.00 43.31 C ATOM 1305 O THR A 83 -0.602 16.214 -15.051 1.00 5.11 O ATOM 1306 CB THR A 83 2.139 14.833 -14.034 1.00 73.34 C ATOM 1307 OG1 THR A 83 1.770 14.211 -15.277 1.00 71.24 O ATOM 1308 CG2 THR A 83 2.843 13.811 -13.143 1.00 52.21 C ATOM 0 H THR A 83 0.136 13.456 -13.399 1.00 10.13 H new ATOM 0 HA THR A 83 1.190 15.869 -12.381 1.00 3.50 H new ATOM 0 HB THR A 83 2.824 15.657 -14.233 1.00 73.34 H new ATOM 0 HG1 THR A 83 2.570 13.848 -15.711 1.00 71.24 H new ATOM 0 HG21 THR A 83 3.716 13.416 -13.662 1.00 52.21 H new ATOM 0 HG22 THR A 83 3.159 14.292 -12.217 1.00 52.21 H new ATOM 0 HG23 THR A 83 2.157 12.995 -12.913 1.00 52.21 H new ATOM 1316 N PRO A 84 0.702 17.776 -14.081 1.00 33.22 N ATOM 1317 CA PRO A 84 0.151 18.891 -14.870 1.00 21.34 C ATOM 1318 C PRO A 84 0.592 18.858 -16.345 1.00 41.23 C ATOM 1319 O PRO A 84 1.764 19.081 -16.669 1.00 54.30 O ATOM 1320 CB PRO A 84 0.705 20.132 -14.160 1.00 62.24 C ATOM 1321 CG PRO A 84 1.980 19.670 -13.541 1.00 55.24 C ATOM 1322 CD PRO A 84 1.756 18.231 -13.146 1.00 12.52 C ATOM 0 HA PRO A 84 -0.938 18.858 -14.914 1.00 21.34 H new ATOM 0 HB2 PRO A 84 0.877 20.947 -14.863 1.00 62.24 H new ATOM 0 HB3 PRO A 84 0.009 20.502 -13.407 1.00 62.24 H new ATOM 0 HG2 PRO A 84 2.808 19.757 -14.244 1.00 55.24 H new ATOM 0 HG3 PRO A 84 2.234 20.278 -12.672 1.00 55.24 H new ATOM 0 HD2 PRO A 84 2.666 17.640 -13.249 1.00 12.52 H new ATOM 0 HD3 PRO A 84 1.436 18.145 -12.108 1.00 12.52 H new ATOM 1330 N LEU A 85 -0.357 18.570 -17.229 1.00 73.45 N ATOM 1331 CA LEU A 85 -0.098 18.514 -18.671 1.00 51.45 C ATOM 1332 C LEU A 85 -1.357 18.869 -19.478 1.00 11.52 C ATOM 1333 O LEU A 85 -2.431 19.090 -18.912 1.00 22.03 O ATOM 1334 CB LEU A 85 0.436 17.120 -19.067 1.00 13.34 C ATOM 1335 CG LEU A 85 -0.232 15.905 -18.379 1.00 14.10 C ATOM 1336 CD1 LEU A 85 -1.728 15.831 -18.681 1.00 22.14 C ATOM 1337 CD2 LEU A 85 0.463 14.607 -18.789 1.00 2.41 C ATOM 0 H LEU A 85 -1.324 18.369 -16.973 1.00 73.45 H new ATOM 0 HA LEU A 85 0.664 19.257 -18.908 1.00 51.45 H new ATOM 0 HB2 LEU A 85 0.325 17.005 -20.145 1.00 13.34 H new ATOM 0 HB3 LEU A 85 1.504 17.090 -18.852 1.00 13.34 H new ATOM 0 HG LEU A 85 -0.122 16.038 -17.303 1.00 14.10 H new ATOM 0 HD11 LEU A 85 -2.158 14.964 -18.179 1.00 22.14 H new ATOM 0 HD12 LEU A 85 -2.217 16.737 -18.323 1.00 22.14 H new ATOM 0 HD13 LEU A 85 -1.878 15.739 -19.757 1.00 22.14 H new ATOM 0 HD21 LEU A 85 -0.020 13.764 -18.295 1.00 2.41 H new ATOM 0 HD22 LEU A 85 0.394 14.483 -19.870 1.00 2.41 H new ATOM 0 HD23 LEU A 85 1.512 14.647 -18.495 1.00 2.41 H new ATOM 1349 N ALA A 86 -1.216 18.930 -20.799 1.00 64.25 N ATOM 1350 CA ALA A 86 -2.345 19.215 -21.688 1.00 62.13 C ATOM 1351 C ALA A 86 -3.288 18.008 -21.792 1.00 4.42 C ATOM 1352 O ALA A 86 -2.843 16.883 -22.022 1.00 5.32 O ATOM 1353 CB ALA A 86 -1.841 19.613 -23.072 1.00 51.30 C ATOM 0 H ALA A 86 -0.329 18.786 -21.282 1.00 64.25 H new ATOM 0 HA ALA A 86 -2.907 20.046 -21.263 1.00 62.13 H new ATOM 0 HB1 ALA A 86 -2.690 19.822 -23.722 1.00 51.30 H new ATOM 0 HB2 ALA A 86 -1.219 20.504 -22.990 1.00 51.30 H new ATOM 0 HB3 ALA A 86 -1.253 18.798 -23.494 1.00 51.30 H new ATOM 1359 N LEU A 87 -4.588 18.251 -21.639 1.00 40.43 N ATOM 1360 CA LEU A 87 -5.589 17.178 -21.673 1.00 14.31 C ATOM 1361 C LEU A 87 -5.892 16.740 -23.113 1.00 73.44 C ATOM 1362 O LEU A 87 -6.186 15.569 -23.361 1.00 60.34 O ATOM 1363 CB LEU A 87 -6.895 17.617 -20.982 1.00 3.42 C ATOM 1364 CG LEU A 87 -6.806 17.852 -19.460 1.00 63.11 C ATOM 1365 CD1 LEU A 87 -5.986 19.098 -19.130 1.00 64.40 C ATOM 1366 CD2 LEU A 87 -8.202 17.950 -18.850 1.00 5.41 C ATOM 0 H LEU A 87 -4.977 19.182 -21.490 1.00 40.43 H new ATOM 0 HA LEU A 87 -5.168 16.330 -21.132 1.00 14.31 H new ATOM 0 HB2 LEU A 87 -7.241 18.537 -21.453 1.00 3.42 H new ATOM 0 HB3 LEU A 87 -7.655 16.858 -21.169 1.00 3.42 H new ATOM 0 HG LEU A 87 -6.293 16.995 -19.023 1.00 63.11 H new ATOM 0 HD11 LEU A 87 -5.945 19.231 -18.049 1.00 64.40 H new ATOM 0 HD12 LEU A 87 -4.975 18.982 -19.519 1.00 64.40 H new ATOM 0 HD13 LEU A 87 -6.452 19.972 -19.586 1.00 64.40 H new ATOM 0 HD21 LEU A 87 -8.119 18.116 -17.776 1.00 5.41 H new ATOM 0 HD22 LEU A 87 -8.740 18.781 -19.305 1.00 5.41 H new ATOM 0 HD23 LEU A 87 -8.745 17.023 -19.033 1.00 5.41 H new ATOM 1378 N ASP A 88 -5.837 17.695 -24.049 1.00 71.34 N ATOM 1379 CA ASP A 88 -6.111 17.450 -25.480 1.00 63.13 C ATOM 1380 C ASP A 88 -7.613 17.240 -25.765 1.00 4.22 C ATOM 1381 O ASP A 88 -8.138 17.733 -26.767 1.00 24.20 O ATOM 1382 CB ASP A 88 -5.290 16.261 -26.003 1.00 71.31 C ATOM 1383 CG ASP A 88 -5.478 16.038 -27.495 1.00 3.31 C ATOM 1384 OD1 ASP A 88 -4.878 16.786 -28.293 1.00 13.54 O ATOM 1385 OD2 ASP A 88 -6.230 15.115 -27.880 1.00 62.15 O ATOM 0 H ASP A 88 -5.601 18.665 -23.840 1.00 71.34 H new ATOM 0 HA ASP A 88 -5.805 18.349 -26.016 1.00 63.13 H new ATOM 0 HB2 ASP A 88 -4.234 16.432 -25.794 1.00 71.31 H new ATOM 0 HB3 ASP A 88 -5.579 15.359 -25.464 1.00 71.31 H new ATOM 1390 N ALA A 89 -8.291 16.501 -24.896 1.00 0.41 N ATOM 1391 CA ALA A 89 -9.730 16.256 -25.031 1.00 43.31 C ATOM 1392 C ALA A 89 -10.559 17.485 -24.627 1.00 3.32 C ATOM 1393 O ALA A 89 -10.412 18.013 -23.522 1.00 15.24 O ATOM 1394 CB ALA A 89 -10.135 15.043 -24.199 1.00 33.34 C ATOM 0 H ALA A 89 -7.867 16.056 -24.082 1.00 0.41 H new ATOM 0 HA ALA A 89 -9.936 16.055 -26.082 1.00 43.31 H new ATOM 0 HB1 ALA A 89 -11.206 14.869 -24.306 1.00 33.34 H new ATOM 0 HB2 ALA A 89 -9.589 14.166 -24.545 1.00 33.34 H new ATOM 0 HB3 ALA A 89 -9.900 15.226 -23.150 1.00 33.34 H new ATOM 1400 N ASN A 90 -11.435 17.928 -25.528 1.00 12.44 N ATOM 1401 CA ASN A 90 -12.312 19.076 -25.268 1.00 32.13 C ATOM 1402 C ASN A 90 -13.657 18.630 -24.668 1.00 41.24 C ATOM 1403 O ASN A 90 -13.839 17.462 -24.320 1.00 10.31 O ATOM 1404 CB ASN A 90 -12.558 19.860 -26.565 1.00 31.50 C ATOM 1405 CG ASN A 90 -11.293 20.490 -27.121 1.00 53.01 C ATOM 1406 OD1 ASN A 90 -10.390 20.866 -26.382 1.00 4.24 O ATOM 1407 ND2 ASN A 90 -11.228 20.630 -28.429 1.00 42.10 N ATOM 0 H ASN A 90 -11.559 17.509 -26.450 1.00 12.44 H new ATOM 0 HA ASN A 90 -11.812 19.719 -24.544 1.00 32.13 H new ATOM 0 HB2 ASN A 90 -12.984 19.191 -27.313 1.00 31.50 H new ATOM 0 HB3 ASN A 90 -13.295 20.641 -26.378 1.00 31.50 H new ATOM 0 HD21 ASN A 90 -10.408 21.062 -28.856 1.00 42.10 H new ATOM 0 HD22 ASN A 90 -11.997 20.306 -29.015 1.00 42.10 H new ATOM 1414 N LYS A 91 -14.584 19.576 -24.531 1.00 2.02 N ATOM 1415 CA LYS A 91 -15.947 19.282 -24.056 1.00 21.31 C ATOM 1416 C LYS A 91 -16.957 19.313 -25.223 1.00 43.04 C ATOM 1417 O LYS A 91 -17.417 20.414 -25.601 1.00 38.03 O ATOM 1418 CB LYS A 91 -16.361 20.277 -22.956 1.00 15.33 C ATOM 1419 CG LYS A 91 -15.507 20.186 -21.690 1.00 25.43 C ATOM 1420 CD LYS A 91 -15.972 21.166 -20.615 1.00 44.45 C ATOM 1421 CE LYS A 91 -17.414 20.903 -20.195 1.00 14.12 C ATOM 1422 NZ LYS A 91 -17.863 21.837 -19.134 1.00 12.13 N ATOM 1423 OXT LYS A 91 -17.274 18.229 -25.772 1.00 38.03 O ATOM 0 H LYS A 91 -14.421 20.560 -24.742 1.00 2.02 H new ATOM 0 HA LYS A 91 -15.950 18.277 -23.633 1.00 21.31 H new ATOM 0 HB2 LYS A 91 -16.299 21.290 -23.353 1.00 15.33 H new ATOM 0 HB3 LYS A 91 -17.404 20.101 -22.693 1.00 15.33 H new ATOM 0 HG2 LYS A 91 -15.548 19.170 -21.297 1.00 25.43 H new ATOM 0 HG3 LYS A 91 -14.466 20.389 -21.940 1.00 25.43 H new ATOM 0 HD2 LYS A 91 -15.320 21.088 -19.745 1.00 44.45 H new ATOM 0 HD3 LYS A 91 -15.883 22.186 -20.990 1.00 44.45 H new ATOM 0 HE2 LYS A 91 -18.067 20.999 -21.062 1.00 14.12 H new ATOM 0 HE3 LYS A 91 -17.506 19.877 -19.838 1.00 14.12 H new ATOM 0 HZ1 LYS A 91 -18.848 21.624 -18.878 1.00 12.13 H new ATOM 0 HZ2 LYS A 91 -17.256 21.728 -18.296 1.00 12.13 H new ATOM 0 HZ3 LYS A 91 -17.800 22.815 -19.483 1.00 12.13 H new TER 1437 LYS A 91