USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 755 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 84 THR OG1 : rot -66:sc= 0.172 USER MOD Set 1.2: A 86 SER OG : rot -176:sc= 0.712 USER MOD Single : A 1 MET CE :methyl 134:sc= -0.158 (180deg=-0.667) USER MOD Single : A 1 MET N :NH3+ -139:sc= 1.25 (180deg=0.731) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 129:sc= 2.26 USER MOD Single : A 8 LYS NZ :NH3+ -146:sc= 0.186 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -136:sc= 1.05 (180deg=-1.26) USER MOD Single : A 32 ASN : amide:sc= -0.033 K(o=-0.033,f=-1.3) USER MOD Single : A 34 HIS : no HE2:sc= 1.1 K(o=1.1,f=-3.3!) USER MOD Single : A 38 CYS SG : rot -5:sc= -0.535 USER MOD Single : A 39 HIS : no HD1:sc= -0.882 K(o=-0.88,f=-3.5!) USER MOD Single : A 41 SER OG : rot 180:sc= -0.152 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -31:sc= 0.414 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -147:sc= 0 (180deg=-1.54) USER MOD Single : A 62 SER OG : rot 180:sc= -0.777 USER MOD Single : A 64 TYR OH : rot 30:sc= -0.0813 USER MOD Single : A 67 ASN : amide:sc= -1.09 K(o=-1.1,f=-3.3!) USER MOD Single : A 69 LYS NZ :NH3+ 137:sc= 0.95 (180deg=0.00391) USER MOD Single : A 70 LYS NZ :NH3+ -165:sc= -0.0492 (180deg=-0.32) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 53:sc= 1.35 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.803 -3.925 0.782 1.00 0.34 N1+ ATOM 2 CA MET A 1 -1.185 -4.516 1.997 1.00 55.33 C ATOM 3 C MET A 1 0.334 -4.459 1.892 1.00 72.41 C ATOM 4 O MET A 1 0.867 -4.051 0.863 1.00 15.10 O ATOM 5 CB MET A 1 -1.632 -5.973 2.156 1.00 61.45 C ATOM 6 CG MET A 1 -3.139 -6.146 2.279 1.00 11.43 C ATOM 7 SD MET A 1 -3.631 -7.874 2.438 1.00 53.03 S ATOM 8 CE MET A 1 -2.882 -8.289 4.011 1.00 64.44 C ATOM 0 H1 MET A 1 -2.622 -3.346 1.056 1.00 0.34 H new ATOM 0 H2 MET A 1 -1.105 -3.328 0.293 1.00 0.34 H new ATOM 0 H3 MET A 1 -2.114 -4.686 0.146 1.00 0.34 H new ATOM 0 HA MET A 1 -1.506 -3.943 2.867 1.00 55.33 H new ATOM 0 HB2 MET A 1 -1.279 -6.547 1.299 1.00 61.45 H new ATOM 0 HB3 MET A 1 -1.154 -6.395 3.040 1.00 61.45 H new ATOM 0 HG2 MET A 1 -3.495 -5.590 3.146 1.00 11.43 H new ATOM 0 HG3 MET A 1 -3.623 -5.714 1.403 1.00 11.43 H new ATOM 0 HE1 MET A 1 -3.602 -8.830 4.625 1.00 64.44 H new ATOM 0 HE2 MET A 1 -2.006 -8.915 3.843 1.00 64.44 H new ATOM 0 HE3 MET A 1 -2.582 -7.375 4.524 1.00 64.44 H new ATOM 20 N VAL A 2 1.033 -4.854 2.955 1.00 32.30 N ATOM 21 CA VAL A 2 2.492 -4.897 2.922 1.00 70.43 C ATOM 22 C VAL A 2 2.971 -6.010 1.996 1.00 62.22 C ATOM 23 O VAL A 2 3.858 -5.804 1.166 1.00 11.10 O ATOM 24 CB VAL A 2 3.116 -5.068 4.327 1.00 54.31 C ATOM 25 CG1 VAL A 2 2.956 -3.790 5.134 1.00 5.21 C ATOM 26 CG2 VAL A 2 2.502 -6.246 5.074 1.00 42.44 C ATOM 0 H VAL A 2 0.618 -5.146 3.840 1.00 32.30 H new ATOM 0 HA VAL A 2 2.827 -3.934 2.537 1.00 70.43 H new ATOM 0 HB VAL A 2 4.178 -5.276 4.196 1.00 54.31 H new ATOM 0 HG11 VAL A 2 3.400 -3.925 6.120 1.00 5.21 H new ATOM 0 HG12 VAL A 2 3.457 -2.970 4.620 1.00 5.21 H new ATOM 0 HG13 VAL A 2 1.896 -3.558 5.241 1.00 5.21 H new ATOM 0 HG21 VAL A 2 2.965 -6.335 6.057 1.00 42.44 H new ATOM 0 HG22 VAL A 2 1.430 -6.084 5.191 1.00 42.44 H new ATOM 0 HG23 VAL A 2 2.671 -7.163 4.509 1.00 42.44 H new ATOM 36 N LYS A 3 2.368 -7.181 2.132 1.00 41.53 N ATOM 37 CA LYS A 3 2.621 -8.281 1.218 1.00 0.34 C ATOM 38 C LYS A 3 1.564 -8.236 0.126 1.00 54.44 C ATOM 39 O LYS A 3 0.513 -8.867 0.237 1.00 33.24 O ATOM 40 CB LYS A 3 2.569 -9.628 1.952 1.00 2.35 C ATOM 41 CG LYS A 3 3.360 -9.654 3.253 1.00 75.21 C ATOM 42 CD LYS A 3 4.842 -9.391 3.031 1.00 73.52 C ATOM 43 CE LYS A 3 5.592 -9.318 4.352 1.00 11.02 C ATOM 44 NZ LYS A 3 7.040 -9.044 4.160 1.00 54.14 N1+ ATOM 0 H LYS A 3 1.697 -7.393 2.871 1.00 41.53 H new ATOM 0 HA LYS A 3 3.618 -8.181 0.788 1.00 0.34 H new ATOM 0 HB2 LYS A 3 1.529 -9.874 2.166 1.00 2.35 H new ATOM 0 HB3 LYS A 3 2.951 -10.406 1.291 1.00 2.35 H new ATOM 0 HG2 LYS A 3 2.958 -8.905 3.935 1.00 75.21 H new ATOM 0 HG3 LYS A 3 3.233 -10.624 3.734 1.00 75.21 H new ATOM 0 HD2 LYS A 3 5.266 -10.182 2.413 1.00 73.52 H new ATOM 0 HD3 LYS A 3 4.970 -8.456 2.485 1.00 73.52 H new ATOM 0 HE2 LYS A 3 5.155 -8.536 4.973 1.00 11.02 H new ATOM 0 HE3 LYS A 3 5.470 -10.258 4.890 1.00 11.02 H new ATOM 0 HZ1 LYS A 3 7.511 -9.003 5.086 1.00 54.14 H new ATOM 0 HZ2 LYS A 3 7.464 -9.803 3.589 1.00 54.14 H new ATOM 0 HZ3 LYS A 3 7.159 -8.134 3.670 1.00 54.14 H new ATOM 58 N ASP A 4 1.825 -7.448 -0.904 1.00 74.44 N ATOM 59 CA ASP A 4 0.810 -7.155 -1.905 1.00 33.42 C ATOM 60 C ASP A 4 1.355 -7.361 -3.309 1.00 62.11 C ATOM 61 O ASP A 4 0.697 -7.952 -4.163 1.00 43.12 O ATOM 62 CB ASP A 4 0.339 -5.712 -1.741 1.00 62.52 C ATOM 63 CG ASP A 4 -1.088 -5.509 -2.192 1.00 73.53 C ATOM 64 OD1 ASP A 4 -1.313 -5.298 -3.398 1.00 22.41 O ATOM 65 OD2 ASP A 4 -1.990 -5.552 -1.322 1.00 11.11 O ATOM 0 H ASP A 4 2.727 -7.001 -1.070 1.00 74.44 H new ATOM 0 HA ASP A 4 -0.028 -7.837 -1.761 1.00 33.42 H new ATOM 0 HB2 ASP A 4 0.430 -5.421 -0.694 1.00 62.52 H new ATOM 0 HB3 ASP A 4 0.993 -5.054 -2.312 1.00 62.52 H new ATOM 70 N GLU A 5 2.580 -6.897 -3.529 1.00 52.14 N ATOM 71 CA GLU A 5 3.227 -7.013 -4.831 1.00 25.11 C ATOM 72 C GLU A 5 3.397 -8.475 -5.221 1.00 75.44 C ATOM 73 O GLU A 5 3.321 -8.833 -6.393 1.00 41.33 O ATOM 74 CB GLU A 5 4.588 -6.317 -4.808 1.00 3.11 C ATOM 75 CG GLU A 5 4.496 -4.821 -4.562 1.00 45.11 C ATOM 76 CD GLU A 5 3.688 -4.113 -5.628 1.00 20.35 C ATOM 77 OE1 GLU A 5 4.257 -3.791 -6.693 1.00 43.22 O ATOM 78 OE2 GLU A 5 2.484 -3.876 -5.411 1.00 21.23 O ATOM 0 H GLU A 5 3.148 -6.435 -2.819 1.00 52.14 H new ATOM 0 HA GLU A 5 2.592 -6.529 -5.573 1.00 25.11 H new ATOM 0 HB2 GLU A 5 5.206 -6.768 -4.031 1.00 3.11 H new ATOM 0 HB3 GLU A 5 5.093 -6.491 -5.758 1.00 3.11 H new ATOM 0 HG2 GLU A 5 4.043 -4.642 -3.587 1.00 45.11 H new ATOM 0 HG3 GLU A 5 5.500 -4.398 -4.529 1.00 45.11 H new ATOM 85 N LYS A 6 3.613 -9.319 -4.226 1.00 75.21 N ATOM 86 CA LYS A 6 3.756 -10.746 -4.462 1.00 70.45 C ATOM 87 C LYS A 6 2.436 -11.466 -4.225 1.00 33.45 C ATOM 88 O LYS A 6 2.384 -12.689 -4.151 1.00 14.12 O ATOM 89 CB LYS A 6 4.852 -11.324 -3.573 1.00 13.42 C ATOM 90 CG LYS A 6 6.242 -10.831 -3.937 1.00 12.44 C ATOM 91 CD LYS A 6 7.303 -11.479 -3.069 1.00 15.10 C ATOM 92 CE LYS A 6 8.703 -11.107 -3.529 1.00 35.11 C ATOM 93 NZ LYS A 6 9.743 -11.728 -2.673 1.00 35.32 N1+ ATOM 0 H LYS A 6 3.693 -9.041 -3.248 1.00 75.21 H new ATOM 0 HA LYS A 6 4.041 -10.896 -5.503 1.00 70.45 H new ATOM 0 HB2 LYS A 6 4.642 -11.066 -2.535 1.00 13.42 H new ATOM 0 HB3 LYS A 6 4.830 -12.412 -3.641 1.00 13.42 H new ATOM 0 HG2 LYS A 6 6.444 -11.049 -4.986 1.00 12.44 H new ATOM 0 HG3 LYS A 6 6.287 -9.748 -3.822 1.00 12.44 H new ATOM 0 HD2 LYS A 6 7.165 -11.170 -2.033 1.00 15.10 H new ATOM 0 HD3 LYS A 6 7.186 -12.562 -3.097 1.00 15.10 H new ATOM 0 HE2 LYS A 6 8.844 -11.425 -4.562 1.00 35.11 H new ATOM 0 HE3 LYS A 6 8.816 -10.023 -3.511 1.00 35.11 H new ATOM 0 HZ1 LYS A 6 10.685 -11.452 -3.016 1.00 35.32 H new ATOM 0 HZ2 LYS A 6 9.624 -11.404 -1.692 1.00 35.32 H new ATOM 0 HZ3 LYS A 6 9.650 -12.763 -2.710 1.00 35.32 H new ATOM 107 N SER A 7 1.368 -10.694 -4.105 1.00 31.23 N ATOM 108 CA SER A 7 0.032 -11.251 -3.978 1.00 23.12 C ATOM 109 C SER A 7 -0.732 -11.047 -5.277 1.00 61.10 C ATOM 110 O SER A 7 -1.928 -11.316 -5.357 1.00 13.21 O ATOM 111 CB SER A 7 -0.711 -10.601 -2.810 1.00 5.32 C ATOM 112 OG SER A 7 -0.013 -10.804 -1.592 1.00 53.22 O ATOM 0 H SER A 7 1.402 -9.675 -4.093 1.00 31.23 H new ATOM 0 HA SER A 7 0.110 -12.319 -3.776 1.00 23.12 H new ATOM 0 HB2 SER A 7 -0.825 -9.533 -2.995 1.00 5.32 H new ATOM 0 HB3 SER A 7 -1.714 -11.020 -2.733 1.00 5.32 H new ATOM 0 HG SER A 7 0.107 -9.945 -1.137 1.00 53.22 H new ATOM 118 N LYS A 8 -0.018 -10.576 -6.296 1.00 12.21 N ATOM 119 CA LYS A 8 -0.602 -10.356 -7.610 1.00 72.21 C ATOM 120 C LYS A 8 -0.991 -11.680 -8.251 1.00 11.10 C ATOM 121 O LYS A 8 -1.953 -11.749 -9.015 1.00 73.24 O ATOM 122 CB LYS A 8 0.374 -9.593 -8.503 1.00 13.13 C ATOM 123 CG LYS A 8 0.635 -8.177 -8.018 1.00 51.21 C ATOM 124 CD LYS A 8 1.674 -7.466 -8.869 1.00 13.14 C ATOM 125 CE LYS A 8 1.934 -6.062 -8.350 1.00 20.32 C ATOM 126 NZ LYS A 8 2.989 -5.364 -9.127 1.00 2.22 N1+ ATOM 0 H LYS A 8 0.972 -10.339 -6.233 1.00 12.21 H new ATOM 0 HA LYS A 8 -1.504 -9.756 -7.492 1.00 72.21 H new ATOM 0 HB2 LYS A 8 1.318 -10.136 -8.548 1.00 13.13 H new ATOM 0 HB3 LYS A 8 -0.022 -9.557 -9.518 1.00 13.13 H new ATOM 0 HG2 LYS A 8 -0.296 -7.611 -8.035 1.00 51.21 H new ATOM 0 HG3 LYS A 8 0.973 -8.205 -6.982 1.00 51.21 H new ATOM 0 HD2 LYS A 8 2.603 -8.036 -8.867 1.00 13.14 H new ATOM 0 HD3 LYS A 8 1.332 -7.418 -9.903 1.00 13.14 H new ATOM 0 HE2 LYS A 8 1.011 -5.484 -8.393 1.00 20.32 H new ATOM 0 HE3 LYS A 8 2.230 -6.113 -7.302 1.00 20.32 H new ATOM 0 HZ1 LYS A 8 3.532 -4.742 -8.494 1.00 2.22 H new ATOM 0 HZ2 LYS A 8 3.627 -6.065 -9.554 1.00 2.22 H new ATOM 0 HZ3 LYS A 8 2.548 -4.795 -9.877 1.00 2.22 H new ATOM 140 N THR A 9 -0.242 -12.727 -7.940 1.00 43.34 N ATOM 141 CA THR A 9 -0.611 -14.063 -8.362 1.00 23.10 C ATOM 142 C THR A 9 -1.537 -14.685 -7.323 1.00 51.20 C ATOM 143 O THR A 9 -1.105 -15.434 -6.444 1.00 14.12 O ATOM 144 CB THR A 9 0.624 -14.958 -8.568 1.00 53.14 C ATOM 145 OG1 THR A 9 1.589 -14.270 -9.376 1.00 61.04 O ATOM 146 CG2 THR A 9 0.242 -16.269 -9.242 1.00 14.13 C ATOM 0 H THR A 9 0.621 -12.675 -7.399 1.00 43.34 H new ATOM 0 HA THR A 9 -1.125 -13.986 -9.320 1.00 23.10 H new ATOM 0 HB THR A 9 1.051 -15.183 -7.590 1.00 53.14 H new ATOM 0 HG1 THR A 9 2.375 -14.841 -9.504 1.00 61.04 H new ATOM 0 HG21 THR A 9 1.133 -16.883 -9.376 1.00 14.13 H new ATOM 0 HG22 THR A 9 -0.476 -16.803 -8.619 1.00 14.13 H new ATOM 0 HG23 THR A 9 -0.205 -16.062 -10.214 1.00 14.13 H new ATOM 154 N LEU A 10 -2.806 -14.327 -7.403 1.00 34.24 N ATOM 155 CA LEU A 10 -3.795 -14.797 -6.452 1.00 32.13 C ATOM 156 C LEU A 10 -5.028 -15.283 -7.191 1.00 62.02 C ATOM 157 O LEU A 10 -5.171 -15.042 -8.389 1.00 23.44 O ATOM 158 CB LEU A 10 -4.172 -13.683 -5.461 1.00 10.04 C ATOM 159 CG LEU A 10 -5.139 -12.602 -5.971 1.00 31.12 C ATOM 160 CD1 LEU A 10 -5.472 -11.635 -4.848 1.00 31.33 C ATOM 161 CD2 LEU A 10 -4.562 -11.842 -7.155 1.00 35.13 C ATOM 0 H LEU A 10 -3.177 -13.707 -8.123 1.00 34.24 H new ATOM 0 HA LEU A 10 -3.368 -15.625 -5.886 1.00 32.13 H new ATOM 0 HB2 LEU A 10 -4.615 -14.147 -4.580 1.00 10.04 H new ATOM 0 HB3 LEU A 10 -3.255 -13.193 -5.136 1.00 10.04 H new ATOM 0 HG LEU A 10 -6.048 -13.101 -6.308 1.00 31.12 H new ATOM 0 HD11 LEU A 10 -6.157 -10.872 -5.216 1.00 31.33 H new ATOM 0 HD12 LEU A 10 -5.941 -12.178 -4.027 1.00 31.33 H new ATOM 0 HD13 LEU A 10 -4.557 -11.160 -4.493 1.00 31.33 H new ATOM 0 HD21 LEU A 10 -5.276 -11.087 -7.486 1.00 35.13 H new ATOM 0 HD22 LEU A 10 -3.632 -11.357 -6.858 1.00 35.13 H new ATOM 0 HD23 LEU A 10 -4.364 -12.536 -7.971 1.00 35.13 H new ATOM 173 N PHE A 11 -5.911 -15.964 -6.489 1.00 20.10 N ATOM 174 CA PHE A 11 -7.139 -16.429 -7.094 1.00 15.32 C ATOM 175 C PHE A 11 -8.311 -15.649 -6.521 1.00 40.04 C ATOM 176 O PHE A 11 -8.494 -15.581 -5.307 1.00 23.22 O ATOM 177 CB PHE A 11 -7.320 -17.932 -6.862 1.00 61.21 C ATOM 178 CG PHE A 11 -8.448 -18.529 -7.653 1.00 44.22 C ATOM 179 CD1 PHE A 11 -8.363 -18.630 -9.030 1.00 52.13 C ATOM 180 CD2 PHE A 11 -9.591 -18.987 -7.021 1.00 13.32 C ATOM 181 CE1 PHE A 11 -9.396 -19.177 -9.765 1.00 24.44 C ATOM 182 CE2 PHE A 11 -10.628 -19.537 -7.751 1.00 23.04 C ATOM 183 CZ PHE A 11 -10.530 -19.631 -9.125 1.00 2.11 C ATOM 0 H PHE A 11 -5.801 -16.206 -5.504 1.00 20.10 H new ATOM 0 HA PHE A 11 -7.094 -16.262 -8.170 1.00 15.32 H new ATOM 0 HB2 PHE A 11 -6.394 -18.446 -7.121 1.00 61.21 H new ATOM 0 HB3 PHE A 11 -7.497 -18.109 -5.801 1.00 61.21 H new ATOM 0 HD1 PHE A 11 -7.477 -18.276 -9.537 1.00 52.13 H new ATOM 0 HD2 PHE A 11 -9.674 -18.914 -5.947 1.00 13.32 H new ATOM 0 HE1 PHE A 11 -9.316 -19.249 -10.840 1.00 24.44 H new ATOM 0 HE2 PHE A 11 -11.514 -19.893 -7.247 1.00 23.04 H new ATOM 0 HZ PHE A 11 -11.340 -20.059 -9.697 1.00 2.11 H new ATOM 193 N GLU A 12 -9.081 -15.039 -7.399 1.00 1.22 N ATOM 194 CA GLU A 12 -10.243 -14.271 -6.995 1.00 12.42 C ATOM 195 C GLU A 12 -11.493 -15.112 -7.200 1.00 15.51 C ATOM 196 O GLU A 12 -11.864 -15.419 -8.336 1.00 3.14 O ATOM 197 CB GLU A 12 -10.306 -12.983 -7.811 1.00 61.32 C ATOM 198 CG GLU A 12 -9.056 -12.130 -7.666 1.00 34.00 C ATOM 199 CD GLU A 12 -8.796 -11.266 -8.881 1.00 72.03 C ATOM 200 OE1 GLU A 12 -8.143 -11.758 -9.830 1.00 1.25 O ATOM 201 OE2 GLU A 12 -9.233 -10.096 -8.896 1.00 70.12 O ATOM 0 H GLU A 12 -8.921 -15.061 -8.406 1.00 1.22 H new ATOM 0 HA GLU A 12 -10.174 -14.005 -5.940 1.00 12.42 H new ATOM 0 HB2 GLU A 12 -10.450 -13.232 -8.862 1.00 61.32 H new ATOM 0 HB3 GLU A 12 -11.174 -12.403 -7.498 1.00 61.32 H new ATOM 0 HG2 GLU A 12 -9.155 -11.493 -6.787 1.00 34.00 H new ATOM 0 HG3 GLU A 12 -8.196 -12.778 -7.495 1.00 34.00 H new ATOM 208 N VAL A 13 -12.122 -15.510 -6.107 1.00 73.03 N ATOM 209 CA VAL A 13 -13.252 -16.428 -6.183 1.00 35.33 C ATOM 210 C VAL A 13 -14.450 -15.898 -5.393 1.00 0.43 C ATOM 211 O VAL A 13 -14.310 -14.999 -4.562 1.00 53.41 O ATOM 212 CB VAL A 13 -12.855 -17.841 -5.679 1.00 70.31 C ATOM 213 CG1 VAL A 13 -12.665 -17.859 -4.171 1.00 0.11 C ATOM 214 CG2 VAL A 13 -13.870 -18.890 -6.112 1.00 74.53 C ATOM 0 H VAL A 13 -11.874 -15.216 -5.162 1.00 73.03 H new ATOM 0 HA VAL A 13 -13.543 -16.505 -7.231 1.00 35.33 H new ATOM 0 HB VAL A 13 -11.899 -18.092 -6.138 1.00 70.31 H new ATOM 0 HG11 VAL A 13 -12.388 -18.863 -3.851 1.00 0.11 H new ATOM 0 HG12 VAL A 13 -11.876 -17.159 -3.895 1.00 0.11 H new ATOM 0 HG13 VAL A 13 -13.595 -17.567 -3.684 1.00 0.11 H new ATOM 0 HG21 VAL A 13 -13.562 -19.868 -5.743 1.00 74.53 H new ATOM 0 HG22 VAL A 13 -14.849 -18.639 -5.703 1.00 74.53 H new ATOM 0 HG23 VAL A 13 -13.926 -18.914 -7.200 1.00 74.53 H new ATOM 224 N GLU A 14 -15.622 -16.451 -5.673 1.00 14.32 N ATOM 225 CA GLU A 14 -16.846 -16.047 -5.005 1.00 35.44 C ATOM 226 C GLU A 14 -17.104 -16.941 -3.798 1.00 22.42 C ATOM 227 O GLU A 14 -17.066 -18.166 -3.906 1.00 72.54 O ATOM 228 CB GLU A 14 -18.036 -16.153 -5.961 1.00 64.51 C ATOM 229 CG GLU A 14 -17.801 -15.550 -7.334 1.00 34.53 C ATOM 230 CD GLU A 14 -18.974 -15.787 -8.262 1.00 22.15 C ATOM 231 OE1 GLU A 14 -19.141 -15.015 -9.235 1.00 12.32 O ATOM 232 OE2 GLU A 14 -19.751 -16.736 -8.008 1.00 50.21 O ATOM 0 H GLU A 14 -15.748 -17.188 -6.366 1.00 14.32 H new ATOM 0 HA GLU A 14 -16.731 -15.013 -4.681 1.00 35.44 H new ATOM 0 HB2 GLU A 14 -18.296 -17.205 -6.081 1.00 64.51 H new ATOM 0 HB3 GLU A 14 -18.896 -15.662 -5.505 1.00 64.51 H new ATOM 0 HG2 GLU A 14 -17.627 -14.479 -7.235 1.00 34.53 H new ATOM 0 HG3 GLU A 14 -16.900 -15.981 -7.770 1.00 34.53 H new ATOM 239 N GLY A 15 -17.366 -16.328 -2.659 1.00 10.35 N ATOM 240 CA GLY A 15 -17.696 -17.080 -1.467 1.00 24.31 C ATOM 241 C GLY A 15 -18.977 -16.578 -0.841 1.00 32.21 C ATOM 242 O GLY A 15 -19.392 -15.450 -1.103 1.00 4.50 O ATOM 0 H GLY A 15 -17.356 -15.316 -2.536 1.00 10.35 H new ATOM 0 HA2 GLY A 15 -17.800 -18.136 -1.717 1.00 24.31 H new ATOM 0 HA3 GLY A 15 -16.881 -17.002 -0.747 1.00 24.31 H new ATOM 246 N ALA A 16 -19.620 -17.404 -0.037 1.00 51.11 N ATOM 247 CA ALA A 16 -20.840 -16.993 0.637 1.00 70.44 C ATOM 248 C ALA A 16 -20.570 -16.700 2.103 1.00 31.53 C ATOM 249 O ALA A 16 -20.073 -17.557 2.832 1.00 14.22 O ATOM 250 CB ALA A 16 -21.903 -18.064 0.497 1.00 42.10 C ATOM 0 H ALA A 16 -19.321 -18.358 0.165 1.00 51.11 H new ATOM 0 HA ALA A 16 -21.203 -16.078 0.168 1.00 70.44 H new ATOM 0 HB1 ALA A 16 -22.812 -17.743 1.006 1.00 42.10 H new ATOM 0 HB2 ALA A 16 -22.118 -18.228 -0.559 1.00 42.10 H new ATOM 0 HB3 ALA A 16 -21.545 -18.992 0.943 1.00 42.10 H new ATOM 256 N VAL A 17 -20.902 -15.492 2.532 1.00 72.35 N ATOM 257 CA VAL A 17 -20.659 -15.081 3.907 1.00 20.42 C ATOM 258 C VAL A 17 -21.701 -15.695 4.839 1.00 25.21 C ATOM 259 O VAL A 17 -22.902 -15.648 4.567 1.00 53.31 O ATOM 260 CB VAL A 17 -20.647 -13.537 4.044 1.00 40.15 C ATOM 261 CG1 VAL A 17 -21.946 -12.933 3.537 1.00 44.11 C ATOM 262 CG2 VAL A 17 -20.380 -13.119 5.486 1.00 41.30 C ATOM 0 H VAL A 17 -21.340 -14.779 1.949 1.00 72.35 H new ATOM 0 HA VAL A 17 -19.673 -15.446 4.195 1.00 20.42 H new ATOM 0 HB VAL A 17 -19.835 -13.154 3.426 1.00 40.15 H new ATOM 0 HG11 VAL A 17 -21.910 -11.849 3.645 1.00 44.11 H new ATOM 0 HG12 VAL A 17 -22.080 -13.189 2.486 1.00 44.11 H new ATOM 0 HG13 VAL A 17 -22.781 -13.328 4.116 1.00 44.11 H new ATOM 0 HG21 VAL A 17 -20.377 -12.031 5.555 1.00 41.30 H new ATOM 0 HG22 VAL A 17 -21.161 -13.521 6.132 1.00 41.30 H new ATOM 0 HG23 VAL A 17 -19.412 -13.506 5.803 1.00 41.30 H new ATOM 272 N THR A 18 -21.235 -16.305 5.920 1.00 24.41 N ATOM 273 CA THR A 18 -22.131 -16.971 6.849 1.00 44.33 C ATOM 274 C THR A 18 -21.926 -16.482 8.287 1.00 74.12 C ATOM 275 O THR A 18 -22.812 -16.640 9.131 1.00 23.12 O ATOM 276 CB THR A 18 -21.959 -18.509 6.775 1.00 3.11 C ATOM 277 OG1 THR A 18 -22.932 -19.161 7.599 1.00 73.44 O ATOM 278 CG2 THR A 18 -20.561 -18.932 7.202 1.00 33.55 C ATOM 0 H THR A 18 -20.248 -16.351 6.173 1.00 24.41 H new ATOM 0 HA THR A 18 -23.149 -16.717 6.553 1.00 44.33 H new ATOM 0 HB THR A 18 -22.106 -18.807 5.737 1.00 3.11 H new ATOM 0 HG1 THR A 18 -22.812 -20.132 7.541 1.00 73.44 H new ATOM 0 HG21 THR A 18 -20.474 -20.017 7.139 1.00 33.55 H new ATOM 0 HG22 THR A 18 -19.824 -18.470 6.545 1.00 33.55 H new ATOM 0 HG23 THR A 18 -20.382 -18.613 8.229 1.00 33.55 H new ATOM 286 N ALA A 19 -20.771 -15.876 8.567 1.00 62.53 N ATOM 287 CA ALA A 19 -20.471 -15.413 9.918 1.00 4.40 C ATOM 288 C ALA A 19 -19.276 -14.472 9.943 1.00 14.11 C ATOM 289 O ALA A 19 -18.545 -14.346 8.958 1.00 40.35 O ATOM 290 CB ALA A 19 -20.204 -16.598 10.833 1.00 71.04 C ATOM 0 H ALA A 19 -20.036 -15.697 7.883 1.00 62.53 H new ATOM 0 HA ALA A 19 -21.342 -14.862 10.273 1.00 4.40 H new ATOM 0 HB1 ALA A 19 -19.981 -16.239 11.838 1.00 71.04 H new ATOM 0 HB2 ALA A 19 -21.085 -17.240 10.864 1.00 71.04 H new ATOM 0 HB3 ALA A 19 -19.354 -17.166 10.454 1.00 71.04 H new ATOM 296 N LEU A 20 -19.090 -13.819 11.081 1.00 72.23 N ATOM 297 CA LEU A 20 -17.937 -12.961 11.310 1.00 0.23 C ATOM 298 C LEU A 20 -17.502 -13.081 12.766 1.00 13.31 C ATOM 299 O LEU A 20 -18.323 -13.347 13.645 1.00 51.13 O ATOM 300 CB LEU A 20 -18.241 -11.492 10.970 1.00 3.23 C ATOM 301 CG LEU A 20 -19.246 -10.771 11.883 1.00 62.11 C ATOM 302 CD1 LEU A 20 -19.179 -9.269 11.654 1.00 32.14 C ATOM 303 CD2 LEU A 20 -20.667 -11.270 11.646 1.00 54.23 C ATOM 0 H LEU A 20 -19.734 -13.869 11.871 1.00 72.23 H new ATOM 0 HA LEU A 20 -17.133 -13.288 10.651 1.00 0.23 H new ATOM 0 HB2 LEU A 20 -17.303 -10.936 10.989 1.00 3.23 H new ATOM 0 HB3 LEU A 20 -18.617 -11.449 9.948 1.00 3.23 H new ATOM 0 HG LEU A 20 -18.977 -10.991 12.916 1.00 62.11 H new ATOM 0 HD11 LEU A 20 -19.895 -8.769 12.306 1.00 32.14 H new ATOM 0 HD12 LEU A 20 -18.174 -8.911 11.877 1.00 32.14 H new ATOM 0 HD13 LEU A 20 -19.420 -9.048 10.614 1.00 32.14 H new ATOM 0 HD21 LEU A 20 -21.353 -10.741 12.307 1.00 54.23 H new ATOM 0 HD22 LEU A 20 -20.948 -11.088 10.609 1.00 54.23 H new ATOM 0 HD23 LEU A 20 -20.716 -12.339 11.853 1.00 54.23 H new ATOM 315 N LEU A 21 -16.215 -12.900 13.013 1.00 63.31 N ATOM 316 CA LEU A 21 -15.669 -13.026 14.357 1.00 61.02 C ATOM 317 C LEU A 21 -15.372 -11.652 14.951 1.00 62.35 C ATOM 318 O LEU A 21 -15.191 -10.677 14.216 1.00 33.02 O ATOM 319 CB LEU A 21 -14.395 -13.882 14.345 1.00 1.22 C ATOM 320 CG LEU A 21 -14.612 -15.391 14.173 1.00 71.31 C ATOM 321 CD1 LEU A 21 -15.044 -15.734 12.753 1.00 1.53 C ATOM 322 CD2 LEU A 21 -13.352 -16.154 14.546 1.00 54.43 C ATOM 0 H LEU A 21 -15.526 -12.665 12.299 1.00 63.31 H new ATOM 0 HA LEU A 21 -16.416 -13.519 14.979 1.00 61.02 H new ATOM 0 HB2 LEU A 21 -13.751 -13.531 13.539 1.00 1.22 H new ATOM 0 HB3 LEU A 21 -13.857 -13.714 15.278 1.00 1.22 H new ATOM 0 HG LEU A 21 -15.416 -15.691 14.845 1.00 71.31 H new ATOM 0 HD11 LEU A 21 -15.189 -16.811 12.667 1.00 1.53 H new ATOM 0 HD12 LEU A 21 -15.979 -15.223 12.524 1.00 1.53 H new ATOM 0 HD13 LEU A 21 -14.274 -15.414 12.051 1.00 1.53 H new ATOM 0 HD21 LEU A 21 -13.523 -17.223 14.418 1.00 54.43 H new ATOM 0 HD22 LEU A 21 -12.531 -15.838 13.902 1.00 54.43 H new ATOM 0 HD23 LEU A 21 -13.097 -15.949 15.586 1.00 54.43 H new ATOM 334 N PRO A 22 -15.321 -11.556 16.293 1.00 33.34 N ATOM 335 CA PRO A 22 -15.018 -10.303 16.998 1.00 41.54 C ATOM 336 C PRO A 22 -13.656 -9.719 16.621 1.00 73.33 C ATOM 337 O PRO A 22 -13.413 -8.530 16.815 1.00 11.11 O ATOM 338 CB PRO A 22 -15.039 -10.696 18.480 1.00 60.40 C ATOM 339 CG PRO A 22 -14.938 -12.182 18.501 1.00 24.21 C ATOM 340 CD PRO A 22 -15.581 -12.658 17.233 1.00 73.22 C ATOM 0 HA PRO A 22 -15.736 -9.524 16.741 1.00 41.54 H new ATOM 0 HB2 PRO A 22 -14.209 -10.239 19.019 1.00 60.40 H new ATOM 0 HB3 PRO A 22 -15.956 -10.358 18.962 1.00 60.40 H new ATOM 0 HG2 PRO A 22 -13.897 -12.502 18.555 1.00 24.21 H new ATOM 0 HG3 PRO A 22 -15.444 -12.595 19.374 1.00 24.21 H new ATOM 0 HD2 PRO A 22 -15.144 -13.595 16.887 1.00 73.22 H new ATOM 0 HD3 PRO A 22 -16.649 -12.833 17.364 1.00 73.22 H new ATOM 348 N ALA A 23 -12.777 -10.552 16.067 1.00 44.35 N ATOM 349 CA ALA A 23 -11.456 -10.103 15.631 1.00 71.34 C ATOM 350 C ALA A 23 -11.527 -9.364 14.293 1.00 12.52 C ATOM 351 O ALA A 23 -10.505 -9.158 13.638 1.00 42.23 O ATOM 352 CB ALA A 23 -10.512 -11.289 15.520 1.00 71.20 C ATOM 0 H ALA A 23 -12.956 -11.544 15.909 1.00 44.35 H new ATOM 0 HA ALA A 23 -11.077 -9.407 16.379 1.00 71.34 H new ATOM 0 HB1 ALA A 23 -9.531 -10.944 15.195 1.00 71.20 H new ATOM 0 HB2 ALA A 23 -10.422 -11.775 16.492 1.00 71.20 H new ATOM 0 HB3 ALA A 23 -10.905 -12.000 14.794 1.00 71.20 H new ATOM 358 N ALA A 24 -12.741 -8.988 13.887 1.00 74.11 N ATOM 359 CA ALA A 24 -12.969 -8.226 12.658 1.00 21.43 C ATOM 360 C ALA A 24 -12.619 -9.044 11.418 1.00 22.42 C ATOM 361 O ALA A 24 -12.415 -8.499 10.330 1.00 24.53 O ATOM 362 CB ALA A 24 -12.198 -6.909 12.678 1.00 15.22 C ATOM 0 H ALA A 24 -13.595 -9.204 14.402 1.00 74.11 H new ATOM 0 HA ALA A 24 -14.033 -7.995 12.610 1.00 21.43 H new ATOM 0 HB1 ALA A 24 -12.386 -6.363 11.753 1.00 15.22 H new ATOM 0 HB2 ALA A 24 -12.526 -6.308 13.526 1.00 15.22 H new ATOM 0 HB3 ALA A 24 -11.131 -7.113 12.769 1.00 15.22 H new ATOM 368 N GLU A 25 -12.559 -10.358 11.584 1.00 12.11 N ATOM 369 CA GLU A 25 -12.354 -11.248 10.459 1.00 11.02 C ATOM 370 C GLU A 25 -13.661 -11.950 10.119 1.00 34.12 C ATOM 371 O GLU A 25 -14.382 -12.412 11.004 1.00 12.31 O ATOM 372 CB GLU A 25 -11.247 -12.272 10.753 1.00 51.11 C ATOM 373 CG GLU A 25 -9.865 -11.648 10.897 1.00 63.42 C ATOM 374 CD GLU A 25 -8.753 -12.675 11.022 1.00 13.50 C ATOM 375 OE1 GLU A 25 -8.333 -12.971 12.161 1.00 31.02 O ATOM 376 OE2 GLU A 25 -8.276 -13.176 9.979 1.00 62.31 O ATOM 0 H GLU A 25 -12.649 -10.826 12.486 1.00 12.11 H new ATOM 0 HA GLU A 25 -12.032 -10.657 9.602 1.00 11.02 H new ATOM 0 HB2 GLU A 25 -11.493 -12.807 11.670 1.00 51.11 H new ATOM 0 HB3 GLU A 25 -11.222 -13.009 9.950 1.00 51.11 H new ATOM 0 HG2 GLU A 25 -9.669 -11.013 10.033 1.00 63.42 H new ATOM 0 HG3 GLU A 25 -9.855 -11.003 11.775 1.00 63.42 H new ATOM 383 N PHE A 26 -13.962 -12.017 8.836 1.00 71.01 N ATOM 384 CA PHE A 26 -15.191 -12.626 8.364 1.00 43.34 C ATOM 385 C PHE A 26 -14.920 -14.055 7.939 1.00 40.24 C ATOM 386 O PHE A 26 -13.782 -14.417 7.644 1.00 33.12 O ATOM 387 CB PHE A 26 -15.766 -11.844 7.174 1.00 0.15 C ATOM 388 CG PHE A 26 -16.182 -10.436 7.497 1.00 63.43 C ATOM 389 CD1 PHE A 26 -15.248 -9.412 7.522 1.00 24.04 C ATOM 390 CD2 PHE A 26 -17.508 -10.136 7.766 1.00 64.23 C ATOM 391 CE1 PHE A 26 -15.629 -8.116 7.812 1.00 73.44 C ATOM 392 CE2 PHE A 26 -17.894 -8.841 8.055 1.00 70.44 C ATOM 393 CZ PHE A 26 -16.954 -7.830 8.079 1.00 60.02 C ATOM 0 H PHE A 26 -13.364 -11.652 8.094 1.00 71.01 H new ATOM 0 HA PHE A 26 -15.917 -12.610 9.177 1.00 43.34 H new ATOM 0 HB2 PHE A 26 -15.020 -11.816 6.379 1.00 0.15 H new ATOM 0 HB3 PHE A 26 -16.628 -12.384 6.783 1.00 0.15 H new ATOM 0 HD1 PHE A 26 -14.211 -9.630 7.312 1.00 24.04 H new ATOM 0 HD2 PHE A 26 -18.248 -10.923 7.750 1.00 64.23 H new ATOM 0 HE1 PHE A 26 -14.892 -7.327 7.830 1.00 73.44 H new ATOM 0 HE2 PHE A 26 -18.931 -8.620 8.262 1.00 70.44 H new ATOM 0 HZ PHE A 26 -17.254 -6.818 8.306 1.00 60.02 H new ATOM 403 N ARG A 27 -15.956 -14.868 7.913 1.00 32.52 N ATOM 404 CA ARG A 27 -15.828 -16.224 7.426 1.00 52.05 C ATOM 405 C ARG A 27 -16.847 -16.504 6.343 1.00 20.51 C ATOM 406 O ARG A 27 -18.061 -16.416 6.564 1.00 52.41 O ATOM 407 CB ARG A 27 -15.957 -17.244 8.555 1.00 70.25 C ATOM 408 CG ARG A 27 -14.681 -17.411 9.360 1.00 74.52 C ATOM 409 CD ARG A 27 -14.747 -18.648 10.240 1.00 30.32 C ATOM 410 NE ARG A 27 -13.440 -19.003 10.784 1.00 21.12 N ATOM 411 CZ ARG A 27 -13.007 -20.257 10.913 1.00 43.32 C ATOM 412 NH1 ARG A 27 -13.804 -21.272 10.595 1.00 34.02 N ATOM 413 NH2 ARG A 27 -11.784 -20.498 11.367 1.00 0.52 N ATOM 0 H ARG A 27 -16.894 -14.613 8.223 1.00 32.52 H new ATOM 0 HA ARG A 27 -14.829 -16.324 7.001 1.00 52.05 H new ATOM 0 HB2 ARG A 27 -16.762 -16.937 9.222 1.00 70.25 H new ATOM 0 HB3 ARG A 27 -16.242 -18.208 8.134 1.00 70.25 H new ATOM 0 HG2 ARG A 27 -13.829 -17.486 8.685 1.00 74.52 H new ATOM 0 HG3 ARG A 27 -14.520 -16.529 9.979 1.00 74.52 H new ATOM 0 HD2 ARG A 27 -15.445 -18.474 11.059 1.00 30.32 H new ATOM 0 HD3 ARG A 27 -15.138 -19.485 9.661 1.00 30.32 H new ATOM 0 HE ARG A 27 -12.822 -18.248 11.083 1.00 21.12 H new ATOM 0 HH11 ARG A 27 -14.747 -21.092 10.252 1.00 34.02 H new ATOM 0 HH12 ARG A 27 -13.472 -22.231 10.694 1.00 34.02 H new ATOM 0 HH21 ARG A 27 -11.171 -19.722 11.619 1.00 0.52 H new ATOM 0 HH22 ARG A 27 -11.456 -21.459 11.464 1.00 0.52 H new ATOM 427 N VAL A 28 -16.342 -16.832 5.174 1.00 70.21 N ATOM 428 CA VAL A 28 -17.181 -17.161 4.047 1.00 21.13 C ATOM 429 C VAL A 28 -16.894 -18.588 3.630 1.00 31.20 C ATOM 430 O VAL A 28 -15.796 -19.101 3.862 1.00 14.30 O ATOM 431 CB VAL A 28 -16.958 -16.202 2.853 1.00 75.11 C ATOM 432 CG1 VAL A 28 -17.218 -14.762 3.267 1.00 30.32 C ATOM 433 CG2 VAL A 28 -15.556 -16.348 2.284 1.00 51.13 C ATOM 0 H VAL A 28 -15.342 -16.878 4.980 1.00 70.21 H new ATOM 0 HA VAL A 28 -18.223 -17.053 4.350 1.00 21.13 H new ATOM 0 HB VAL A 28 -17.667 -16.472 2.071 1.00 75.11 H new ATOM 0 HG11 VAL A 28 -17.056 -14.103 2.414 1.00 30.32 H new ATOM 0 HG12 VAL A 28 -18.247 -14.663 3.612 1.00 30.32 H new ATOM 0 HG13 VAL A 28 -16.537 -14.486 4.073 1.00 30.32 H new ATOM 0 HG21 VAL A 28 -15.430 -15.662 1.447 1.00 51.13 H new ATOM 0 HG22 VAL A 28 -14.824 -16.116 3.057 1.00 51.13 H new ATOM 0 HG23 VAL A 28 -15.408 -17.371 1.939 1.00 51.13 H new ATOM 443 N LYS A 29 -17.869 -19.245 3.048 1.00 35.34 N ATOM 444 CA LYS A 29 -17.684 -20.621 2.663 1.00 74.24 C ATOM 445 C LYS A 29 -18.073 -20.832 1.211 1.00 53.53 C ATOM 446 O LYS A 29 -19.019 -20.222 0.704 1.00 62.05 O ATOM 447 CB LYS A 29 -18.460 -21.561 3.614 1.00 23.15 C ATOM 448 CG LYS A 29 -19.739 -22.182 3.052 1.00 52.21 C ATOM 449 CD LYS A 29 -20.865 -21.172 2.872 1.00 23.50 C ATOM 450 CE LYS A 29 -22.143 -21.864 2.426 1.00 64.14 C ATOM 451 NZ LYS A 29 -23.152 -20.906 1.902 1.00 53.33 N1+ ATOM 0 H LYS A 29 -18.786 -18.854 2.833 1.00 35.34 H new ATOM 0 HA LYS A 29 -16.626 -20.869 2.752 1.00 74.24 H new ATOM 0 HB2 LYS A 29 -17.793 -22.367 3.919 1.00 23.15 H new ATOM 0 HB3 LYS A 29 -18.717 -21.002 4.514 1.00 23.15 H new ATOM 0 HG2 LYS A 29 -19.518 -22.646 2.091 1.00 52.21 H new ATOM 0 HG3 LYS A 29 -20.074 -22.976 3.720 1.00 52.21 H new ATOM 0 HD2 LYS A 29 -21.040 -20.644 3.810 1.00 23.50 H new ATOM 0 HD3 LYS A 29 -20.574 -20.424 2.134 1.00 23.50 H new ATOM 0 HE2 LYS A 29 -21.906 -22.597 1.654 1.00 64.14 H new ATOM 0 HE3 LYS A 29 -22.569 -22.412 3.266 1.00 64.14 H new ATOM 0 HZ1 LYS A 29 -24.089 -21.145 2.285 1.00 53.33 H new ATOM 0 HZ2 LYS A 29 -22.896 -19.940 2.190 1.00 53.33 H new ATOM 0 HZ3 LYS A 29 -23.178 -20.962 0.864 1.00 53.33 H new ATOM 465 N LEU A 30 -17.295 -21.645 0.528 1.00 42.11 N ATOM 466 CA LEU A 30 -17.677 -22.127 -0.776 1.00 64.13 C ATOM 467 C LEU A 30 -18.721 -23.204 -0.563 1.00 3.04 C ATOM 468 O LEU A 30 -18.527 -24.090 0.272 1.00 41.52 O ATOM 469 CB LEU A 30 -16.464 -22.687 -1.527 1.00 25.11 C ATOM 470 CG LEU A 30 -16.746 -23.206 -2.938 1.00 52.23 C ATOM 471 CD1 LEU A 30 -17.209 -22.074 -3.844 1.00 33.43 C ATOM 472 CD2 LEU A 30 -15.507 -23.881 -3.509 1.00 64.25 C ATOM 0 H LEU A 30 -16.392 -21.985 0.858 1.00 42.11 H new ATOM 0 HA LEU A 30 -18.079 -21.316 -1.383 1.00 64.13 H new ATOM 0 HB2 LEU A 30 -15.706 -21.907 -1.590 1.00 25.11 H new ATOM 0 HB3 LEU A 30 -16.037 -23.499 -0.938 1.00 25.11 H new ATOM 0 HG LEU A 30 -17.547 -23.944 -2.883 1.00 52.23 H new ATOM 0 HD11 LEU A 30 -17.404 -22.464 -4.843 1.00 33.43 H new ATOM 0 HD12 LEU A 30 -18.122 -21.635 -3.441 1.00 33.43 H new ATOM 0 HD13 LEU A 30 -16.433 -21.311 -3.898 1.00 33.43 H new ATOM 0 HD21 LEU A 30 -15.722 -24.246 -4.513 1.00 64.25 H new ATOM 0 HD22 LEU A 30 -14.688 -23.163 -3.551 1.00 64.25 H new ATOM 0 HD23 LEU A 30 -15.223 -24.719 -2.872 1.00 64.25 H new ATOM 484 N ASP A 31 -19.821 -23.128 -1.299 1.00 71.15 N ATOM 485 CA ASP A 31 -20.950 -24.031 -1.084 1.00 21.10 C ATOM 486 C ASP A 31 -20.559 -25.490 -1.329 1.00 64.14 C ATOM 487 O ASP A 31 -21.333 -26.402 -1.053 1.00 10.35 O ATOM 488 CB ASP A 31 -22.136 -23.637 -1.971 1.00 42.32 C ATOM 489 CG ASP A 31 -22.639 -22.233 -1.679 1.00 70.31 C ATOM 490 OD1 ASP A 31 -23.229 -22.010 -0.600 1.00 21.30 O ATOM 491 OD2 ASP A 31 -22.431 -21.338 -2.525 1.00 33.02 O ATOM 0 H ASP A 31 -19.959 -22.452 -2.050 1.00 71.15 H new ATOM 0 HA ASP A 31 -21.249 -23.938 -0.040 1.00 21.10 H new ATOM 0 HB2 ASP A 31 -21.840 -23.703 -3.018 1.00 42.32 H new ATOM 0 HB3 ASP A 31 -22.948 -24.349 -1.823 1.00 42.32 H new ATOM 496 N ASN A 32 -19.344 -25.703 -1.829 1.00 53.03 N ATOM 497 CA ASN A 32 -18.808 -27.046 -2.012 1.00 64.40 C ATOM 498 C ASN A 32 -18.030 -27.469 -0.756 1.00 41.53 C ATOM 499 O ASN A 32 -16.961 -28.074 -0.844 1.00 51.12 O ATOM 500 CB ASN A 32 -17.903 -27.098 -3.253 1.00 70.33 C ATOM 501 CG ASN A 32 -17.724 -28.512 -3.791 1.00 1.15 C ATOM 502 OD1 ASN A 32 -17.820 -29.491 -3.053 1.00 13.41 O ATOM 503 ND2 ASN A 32 -17.460 -28.630 -5.084 1.00 71.23 N ATOM 0 H ASN A 32 -18.710 -24.957 -2.116 1.00 53.03 H new ATOM 0 HA ASN A 32 -19.634 -27.741 -2.166 1.00 64.40 H new ATOM 0 HB2 ASN A 32 -18.328 -26.467 -4.034 1.00 70.33 H new ATOM 0 HB3 ASN A 32 -16.927 -26.682 -3.003 1.00 70.33 H new ATOM 0 HD21 ASN A 32 -17.330 -29.554 -5.496 1.00 71.23 H new ATOM 0 HD22 ASN A 32 -17.387 -27.797 -5.668 1.00 71.23 H new ATOM 510 N GLU A 33 -18.567 -27.097 0.409 1.00 53.33 N ATOM 511 CA GLU A 33 -18.057 -27.548 1.712 1.00 72.42 C ATOM 512 C GLU A 33 -16.615 -27.112 1.981 1.00 51.00 C ATOM 513 O GLU A 33 -15.826 -27.874 2.535 1.00 43.41 O ATOM 514 CB GLU A 33 -18.171 -29.072 1.823 1.00 43.15 C ATOM 515 CG GLU A 33 -19.605 -29.567 1.857 1.00 63.32 C ATOM 516 CD GLU A 33 -20.380 -29.006 3.032 1.00 23.43 C ATOM 517 OE1 GLU A 33 -21.107 -28.008 2.851 1.00 14.20 O ATOM 518 OE2 GLU A 33 -20.271 -29.562 4.146 1.00 14.32 O ATOM 0 H GLU A 33 -19.371 -26.472 0.478 1.00 53.33 H new ATOM 0 HA GLU A 33 -18.676 -27.069 2.470 1.00 72.42 H new ATOM 0 HB2 GLU A 33 -17.656 -29.530 0.979 1.00 43.15 H new ATOM 0 HB3 GLU A 33 -17.659 -29.403 2.726 1.00 43.15 H new ATOM 0 HG2 GLU A 33 -20.105 -29.289 0.929 1.00 63.32 H new ATOM 0 HG3 GLU A 33 -19.610 -30.656 1.908 1.00 63.32 H new ATOM 525 N HIS A 34 -16.270 -25.887 1.610 1.00 1.42 N ATOM 526 CA HIS A 34 -14.940 -25.356 1.911 1.00 21.10 C ATOM 527 C HIS A 34 -15.043 -23.984 2.568 1.00 5.35 C ATOM 528 O HIS A 34 -15.549 -23.042 1.966 1.00 44.11 O ATOM 529 CB HIS A 34 -14.084 -25.276 0.641 1.00 61.41 C ATOM 530 CG HIS A 34 -13.520 -26.597 0.202 1.00 71.04 C ATOM 531 ND1 HIS A 34 -14.260 -27.560 -0.456 1.00 64.34 N ATOM 532 CD2 HIS A 34 -12.272 -27.110 0.325 1.00 70.12 C ATOM 533 CE1 HIS A 34 -13.493 -28.601 -0.714 1.00 4.32 C ATOM 534 NE2 HIS A 34 -12.284 -28.356 -0.250 1.00 71.25 N1+ ATOM 0 H HIS A 34 -16.882 -25.245 1.106 1.00 1.42 H new ATOM 0 HA HIS A 34 -14.456 -26.038 2.609 1.00 21.10 H new ATOM 0 HB2 HIS A 34 -14.688 -24.864 -0.167 1.00 61.41 H new ATOM 0 HB3 HIS A 34 -13.263 -24.580 0.812 1.00 61.41 H new ATOM 0 HD1 HIS A 34 -15.246 -27.479 -0.704 1.00 64.34 H new ATOM 0 HD2 HIS A 34 -11.425 -26.628 0.790 1.00 70.12 H new ATOM 0 HE1 HIS A 34 -13.803 -29.503 -1.220 1.00 4.32 H new ATOM 543 N GLU A 35 -14.556 -23.876 3.798 1.00 43.35 N ATOM 544 CA GLU A 35 -14.603 -22.613 4.529 1.00 24.44 C ATOM 545 C GLU A 35 -13.277 -21.880 4.404 1.00 63.53 C ATOM 546 O GLU A 35 -12.213 -22.498 4.465 1.00 2.42 O ATOM 547 CB GLU A 35 -14.881 -22.846 6.016 1.00 71.41 C ATOM 548 CG GLU A 35 -15.912 -23.918 6.307 1.00 72.32 C ATOM 549 CD GLU A 35 -16.082 -24.144 7.795 1.00 34.51 C ATOM 550 OE1 GLU A 35 -17.176 -23.858 8.323 1.00 24.33 O ATOM 551 OE2 GLU A 35 -15.110 -24.587 8.447 1.00 60.21 O ATOM 0 H GLU A 35 -14.125 -24.645 4.311 1.00 43.35 H new ATOM 0 HA GLU A 35 -15.407 -22.018 4.097 1.00 24.44 H new ATOM 0 HB2 GLU A 35 -13.947 -23.116 6.508 1.00 71.41 H new ATOM 0 HB3 GLU A 35 -15.216 -21.909 6.460 1.00 71.41 H new ATOM 0 HG2 GLU A 35 -16.869 -23.630 5.871 1.00 72.32 H new ATOM 0 HG3 GLU A 35 -15.612 -24.851 5.829 1.00 72.32 H new ATOM 558 N ILE A 36 -13.340 -20.569 4.243 1.00 12.13 N ATOM 559 CA ILE A 36 -12.142 -19.747 4.218 1.00 5.11 C ATOM 560 C ILE A 36 -12.330 -18.505 5.082 1.00 3.31 C ATOM 561 O ILE A 36 -13.435 -17.964 5.186 1.00 52.02 O ATOM 562 CB ILE A 36 -11.745 -19.325 2.785 1.00 73.21 C ATOM 563 CG1 ILE A 36 -12.939 -18.714 2.052 1.00 4.40 C ATOM 564 CG2 ILE A 36 -11.184 -20.509 2.011 1.00 20.13 C ATOM 565 CD1 ILE A 36 -12.611 -18.233 0.655 1.00 10.44 C ATOM 0 H ILE A 36 -14.210 -20.050 4.127 1.00 12.13 H new ATOM 0 HA ILE A 36 -11.333 -20.358 4.620 1.00 5.11 H new ATOM 0 HB ILE A 36 -10.965 -18.566 2.856 1.00 73.21 H new ATOM 0 HG12 ILE A 36 -13.737 -19.454 1.994 1.00 4.40 H new ATOM 0 HG13 ILE A 36 -13.323 -17.877 2.635 1.00 4.40 H new ATOM 0 HG21 ILE A 36 -10.911 -20.190 1.005 1.00 20.13 H new ATOM 0 HG22 ILE A 36 -10.301 -20.892 2.522 1.00 20.13 H new ATOM 0 HG23 ILE A 36 -11.938 -21.294 1.950 1.00 20.13 H new ATOM 0 HD11 ILE A 36 -13.505 -17.812 0.196 1.00 10.44 H new ATOM 0 HD12 ILE A 36 -11.835 -17.469 0.706 1.00 10.44 H new ATOM 0 HD13 ILE A 36 -12.256 -19.071 0.056 1.00 10.44 H new ATOM 577 N ILE A 37 -11.255 -18.073 5.720 1.00 34.10 N ATOM 578 CA ILE A 37 -11.292 -16.892 6.567 1.00 74.43 C ATOM 579 C ILE A 37 -10.985 -15.663 5.719 1.00 13.05 C ATOM 580 O ILE A 37 -10.266 -15.755 4.723 1.00 2.35 O ATOM 581 CB ILE A 37 -10.278 -16.988 7.747 1.00 52.03 C ATOM 582 CG1 ILE A 37 -10.564 -18.210 8.633 1.00 1.11 C ATOM 583 CG2 ILE A 37 -10.301 -15.723 8.597 1.00 3.23 C ATOM 584 CD1 ILE A 37 -10.034 -19.521 8.084 1.00 5.42 C ATOM 0 H ILE A 37 -10.342 -18.525 5.667 1.00 34.10 H new ATOM 0 HA ILE A 37 -12.289 -16.815 7.001 1.00 74.43 H new ATOM 0 HB ILE A 37 -9.287 -17.100 7.308 1.00 52.03 H new ATOM 0 HG12 ILE A 37 -10.128 -18.040 9.617 1.00 1.11 H new ATOM 0 HG13 ILE A 37 -11.641 -18.298 8.773 1.00 1.11 H new ATOM 0 HG21 ILE A 37 -9.584 -15.819 9.412 1.00 3.23 H new ATOM 0 HG22 ILE A 37 -10.036 -14.865 7.980 1.00 3.23 H new ATOM 0 HG23 ILE A 37 -11.300 -15.579 9.008 1.00 3.23 H new ATOM 0 HD11 ILE A 37 -10.280 -20.330 8.772 1.00 5.42 H new ATOM 0 HD12 ILE A 37 -10.489 -19.719 7.113 1.00 5.42 H new ATOM 0 HD13 ILE A 37 -8.952 -19.457 7.971 1.00 5.42 H new ATOM 596 N CYS A 38 -11.552 -14.522 6.074 1.00 73.00 N ATOM 597 CA CYS A 38 -11.311 -13.306 5.321 1.00 64.31 C ATOM 598 C CYS A 38 -11.153 -12.104 6.246 1.00 51.34 C ATOM 599 O CYS A 38 -11.798 -12.018 7.286 1.00 55.12 O ATOM 600 CB CYS A 38 -12.453 -13.069 4.335 1.00 61.15 C ATOM 601 SG CYS A 38 -12.683 -14.406 3.139 1.00 35.43 S ATOM 0 H CYS A 38 -12.177 -14.414 6.873 1.00 73.00 H new ATOM 0 HA CYS A 38 -10.379 -13.427 4.769 1.00 64.31 H new ATOM 0 HB2 CYS A 38 -13.379 -12.932 4.894 1.00 61.15 H new ATOM 0 HB3 CYS A 38 -12.266 -12.141 3.795 1.00 61.15 H new ATOM 0 HG CYS A 38 -11.742 -15.290 3.290 1.00 35.43 H new ATOM 607 N HIS A 39 -10.288 -11.177 5.869 1.00 71.12 N ATOM 608 CA HIS A 39 -10.080 -9.969 6.655 1.00 53.14 C ATOM 609 C HIS A 39 -10.111 -8.755 5.744 1.00 43.30 C ATOM 610 O HIS A 39 -9.549 -8.778 4.649 1.00 64.34 O ATOM 611 CB HIS A 39 -8.744 -10.036 7.410 1.00 4.23 C ATOM 612 CG HIS A 39 -8.481 -8.851 8.300 1.00 61.51 C ATOM 613 ND1 HIS A 39 -8.988 -8.742 9.577 1.00 34.11 N ATOM 614 CD2 HIS A 39 -7.757 -7.722 8.091 1.00 3.04 C ATOM 615 CE1 HIS A 39 -8.593 -7.602 10.112 1.00 42.54 C ATOM 616 NE2 HIS A 39 -7.845 -6.964 9.233 1.00 45.15 N1+ ATOM 0 H HIS A 39 -9.718 -11.236 5.025 1.00 71.12 H new ATOM 0 HA HIS A 39 -10.881 -9.886 7.390 1.00 53.14 H new ATOM 0 HB2 HIS A 39 -8.726 -10.942 8.015 1.00 4.23 H new ATOM 0 HB3 HIS A 39 -7.934 -10.120 6.686 1.00 4.23 H new ATOM 0 HD2 HIS A 39 -7.213 -7.467 7.194 1.00 3.04 H new ATOM 0 HE1 HIS A 39 -8.841 -7.251 11.103 1.00 42.54 H new ATOM 0 HE2 HIS A 39 -7.404 -6.056 9.378 1.00 45.15 H new ATOM 625 N VAL A 40 -10.771 -7.698 6.191 1.00 12.52 N ATOM 626 CA VAL A 40 -10.852 -6.481 5.405 1.00 51.34 C ATOM 627 C VAL A 40 -9.505 -5.760 5.378 1.00 21.12 C ATOM 628 O VAL A 40 -8.983 -5.344 6.413 1.00 31.11 O ATOM 629 CB VAL A 40 -11.952 -5.533 5.934 1.00 54.33 C ATOM 630 CG1 VAL A 40 -13.326 -6.106 5.633 1.00 44.53 C ATOM 631 CG2 VAL A 40 -11.801 -5.288 7.431 1.00 13.41 C ATOM 0 H VAL A 40 -11.255 -7.660 7.088 1.00 12.52 H new ATOM 0 HA VAL A 40 -11.117 -6.770 4.388 1.00 51.34 H new ATOM 0 HB VAL A 40 -11.844 -4.575 5.425 1.00 54.33 H new ATOM 0 HG11 VAL A 40 -14.093 -5.430 6.010 1.00 44.53 H new ATOM 0 HG12 VAL A 40 -13.443 -6.223 4.556 1.00 44.53 H new ATOM 0 HG13 VAL A 40 -13.429 -7.077 6.117 1.00 44.53 H new ATOM 0 HG21 VAL A 40 -12.590 -4.617 7.771 1.00 13.41 H new ATOM 0 HG22 VAL A 40 -11.875 -6.236 7.964 1.00 13.41 H new ATOM 0 HG23 VAL A 40 -10.829 -4.835 7.629 1.00 13.41 H new ATOM 641 N SER A 41 -8.949 -5.634 4.182 1.00 11.51 N ATOM 642 CA SER A 41 -7.668 -4.971 3.984 1.00 70.02 C ATOM 643 C SER A 41 -7.451 -4.750 2.489 1.00 21.15 C ATOM 644 O SER A 41 -6.458 -5.185 1.909 1.00 24.33 O ATOM 645 CB SER A 41 -6.531 -5.820 4.579 1.00 11.45 C ATOM 646 OG SER A 41 -5.323 -5.084 4.685 1.00 33.13 O ATOM 0 H SER A 41 -9.372 -5.987 3.323 1.00 11.51 H new ATOM 0 HA SER A 41 -7.669 -4.008 4.494 1.00 70.02 H new ATOM 0 HB2 SER A 41 -6.824 -6.181 5.565 1.00 11.45 H new ATOM 0 HB3 SER A 41 -6.368 -6.698 3.954 1.00 11.45 H new ATOM 0 HG SER A 41 -4.625 -5.655 5.068 1.00 33.13 H new ATOM 652 N GLY A 42 -8.408 -4.079 1.869 1.00 63.21 N ATOM 653 CA GLY A 42 -8.347 -3.840 0.444 1.00 5.52 C ATOM 654 C GLY A 42 -9.299 -2.745 0.029 1.00 52.10 C ATOM 655 O GLY A 42 -9.548 -1.813 0.801 1.00 1.11 O ATOM 0 H GLY A 42 -9.231 -3.693 2.331 1.00 63.21 H new ATOM 0 HA2 GLY A 42 -7.330 -3.566 0.162 1.00 5.52 H new ATOM 0 HA3 GLY A 42 -8.590 -4.758 -0.091 1.00 5.52 H new ATOM 659 N LYS A 43 -9.865 -2.871 -1.168 1.00 63.13 N ATOM 660 CA LYS A 43 -10.779 -1.864 -1.698 1.00 31.24 C ATOM 661 C LYS A 43 -12.026 -1.743 -0.822 1.00 3.01 C ATOM 662 O LYS A 43 -12.688 -0.708 -0.808 1.00 75.30 O ATOM 663 CB LYS A 43 -11.175 -2.201 -3.137 1.00 23.44 C ATOM 664 CG LYS A 43 -11.950 -1.087 -3.821 1.00 64.24 C ATOM 665 CD LYS A 43 -12.235 -1.408 -5.277 1.00 21.12 C ATOM 666 CE LYS A 43 -13.261 -2.517 -5.431 1.00 15.53 C ATOM 667 NZ LYS A 43 -13.520 -2.820 -6.863 1.00 2.52 N1+ ATOM 0 H LYS A 43 -9.706 -3.663 -1.791 1.00 63.13 H new ATOM 0 HA LYS A 43 -10.261 -0.905 -1.693 1.00 31.24 H new ATOM 0 HB2 LYS A 43 -10.275 -2.416 -3.714 1.00 23.44 H new ATOM 0 HB3 LYS A 43 -11.779 -3.108 -3.138 1.00 23.44 H new ATOM 0 HG2 LYS A 43 -12.890 -0.922 -3.295 1.00 64.24 H new ATOM 0 HG3 LYS A 43 -11.383 -0.158 -3.758 1.00 64.24 H new ATOM 0 HD2 LYS A 43 -12.594 -0.511 -5.781 1.00 21.12 H new ATOM 0 HD3 LYS A 43 -11.309 -1.702 -5.770 1.00 21.12 H new ATOM 0 HE2 LYS A 43 -12.907 -3.415 -4.926 1.00 15.53 H new ATOM 0 HE3 LYS A 43 -14.192 -2.224 -4.945 1.00 15.53 H new ATOM 0 HZ1 LYS A 43 -14.225 -3.581 -6.935 1.00 2.52 H new ATOM 0 HZ2 LYS A 43 -13.881 -1.968 -7.338 1.00 2.52 H new ATOM 0 HZ3 LYS A 43 -12.636 -3.123 -7.319 1.00 2.52 H new ATOM 681 N VAL A 44 -12.328 -2.805 -0.081 1.00 13.31 N ATOM 682 CA VAL A 44 -13.467 -2.811 0.834 1.00 43.41 C ATOM 683 C VAL A 44 -13.378 -1.665 1.849 1.00 55.11 C ATOM 684 O VAL A 44 -14.379 -1.020 2.158 1.00 60.40 O ATOM 685 CB VAL A 44 -13.584 -4.165 1.574 1.00 35.12 C ATOM 686 CG1 VAL A 44 -12.292 -4.509 2.304 1.00 11.34 C ATOM 687 CG2 VAL A 44 -14.763 -4.155 2.538 1.00 34.15 C ATOM 0 H VAL A 44 -11.798 -3.676 -0.096 1.00 13.31 H new ATOM 0 HA VAL A 44 -14.363 -2.666 0.230 1.00 43.41 H new ATOM 0 HB VAL A 44 -13.760 -4.938 0.826 1.00 35.12 H new ATOM 0 HG11 VAL A 44 -12.406 -5.466 2.814 1.00 11.34 H new ATOM 0 HG12 VAL A 44 -11.475 -4.576 1.586 1.00 11.34 H new ATOM 0 HG13 VAL A 44 -12.069 -3.732 3.035 1.00 11.34 H new ATOM 0 HG21 VAL A 44 -14.825 -5.117 3.047 1.00 34.15 H new ATOM 0 HG22 VAL A 44 -14.624 -3.363 3.274 1.00 34.15 H new ATOM 0 HG23 VAL A 44 -15.685 -3.977 1.984 1.00 34.15 H new ATOM 697 N ARG A 45 -12.174 -1.400 2.343 1.00 23.14 N ATOM 698 CA ARG A 45 -11.965 -0.317 3.295 1.00 44.55 C ATOM 699 C ARG A 45 -11.804 1.008 2.561 1.00 33.02 C ATOM 700 O ARG A 45 -12.220 2.054 3.051 1.00 61.23 O ATOM 701 CB ARG A 45 -10.738 -0.607 4.179 1.00 13.11 C ATOM 702 CG ARG A 45 -10.186 0.613 4.914 1.00 40.12 C ATOM 703 CD ARG A 45 -8.972 1.186 4.193 1.00 12.20 C ATOM 704 NE ARG A 45 -8.669 2.559 4.595 1.00 53.24 N ATOM 705 CZ ARG A 45 -7.457 2.989 4.943 1.00 53.50 C ATOM 706 NH1 ARG A 45 -6.452 2.129 5.094 1.00 65.11 N ATOM 707 NH2 ARG A 45 -7.261 4.281 5.163 1.00 52.40 N ATOM 0 H ARG A 45 -11.330 -1.919 2.101 1.00 23.14 H new ATOM 0 HA ARG A 45 -12.840 -0.246 3.942 1.00 44.55 H new ATOM 0 HB2 ARG A 45 -11.006 -1.367 4.913 1.00 13.11 H new ATOM 0 HB3 ARG A 45 -9.949 -1.029 3.557 1.00 13.11 H new ATOM 0 HG2 ARG A 45 -10.961 1.376 4.991 1.00 40.12 H new ATOM 0 HG3 ARG A 45 -9.911 0.335 5.931 1.00 40.12 H new ATOM 0 HD2 ARG A 45 -8.106 0.555 4.392 1.00 12.20 H new ATOM 0 HD3 ARG A 45 -9.147 1.158 3.118 1.00 12.20 H new ATOM 0 HE ARG A 45 -9.436 3.231 4.610 1.00 53.24 H new ATOM 0 HH11 ARG A 45 -6.607 1.132 4.943 1.00 65.11 H new ATOM 0 HH12 ARG A 45 -5.527 2.467 5.361 1.00 65.11 H new ATOM 0 HH21 ARG A 45 -8.035 4.938 5.066 1.00 52.40 H new ATOM 0 HH22 ARG A 45 -6.336 4.618 5.430 1.00 52.40 H new ATOM 721 N ARG A 46 -11.208 0.949 1.380 1.00 4.41 N ATOM 722 CA ARG A 46 -10.953 2.147 0.595 1.00 24.44 C ATOM 723 C ARG A 46 -12.262 2.776 0.118 1.00 10.54 C ATOM 724 O ARG A 46 -12.445 3.988 0.205 1.00 3.32 O ATOM 725 CB ARG A 46 -10.059 1.815 -0.603 1.00 51.23 C ATOM 726 CG ARG A 46 -9.605 3.037 -1.382 1.00 32.22 C ATOM 727 CD ARG A 46 -8.717 3.941 -0.539 1.00 32.34 C ATOM 728 NE ARG A 46 -8.328 5.147 -1.264 1.00 41.45 N ATOM 729 CZ ARG A 46 -7.096 5.657 -1.261 1.00 60.33 C ATOM 730 NH1 ARG A 46 -6.137 5.083 -0.541 1.00 72.33 N ATOM 731 NH2 ARG A 46 -6.829 6.746 -1.972 1.00 61.30 N ATOM 0 H ARG A 46 -10.891 0.083 0.944 1.00 4.41 H new ATOM 0 HA ARG A 46 -10.440 2.868 1.231 1.00 24.44 H new ATOM 0 HB2 ARG A 46 -9.181 1.273 -0.251 1.00 51.23 H new ATOM 0 HB3 ARG A 46 -10.599 1.147 -1.274 1.00 51.23 H new ATOM 0 HG2 ARG A 46 -9.062 2.720 -2.272 1.00 32.22 H new ATOM 0 HG3 ARG A 46 -10.476 3.597 -1.722 1.00 32.22 H new ATOM 0 HD2 ARG A 46 -9.244 4.220 0.374 1.00 32.34 H new ATOM 0 HD3 ARG A 46 -7.824 3.394 -0.237 1.00 32.34 H new ATOM 0 HE ARG A 46 -9.044 5.630 -1.807 1.00 41.45 H new ATOM 0 HH11 ARG A 46 -6.343 4.250 0.011 1.00 72.33 H new ATOM 0 HH12 ARG A 46 -5.195 5.475 -0.541 1.00 72.33 H new ATOM 0 HH21 ARG A 46 -7.566 7.191 -2.519 1.00 61.30 H new ATOM 0 HH22 ARG A 46 -5.887 7.138 -1.971 1.00 61.30 H new ATOM 745 N SER A 47 -13.171 1.942 -0.366 1.00 72.21 N ATOM 746 CA SER A 47 -14.445 2.416 -0.890 1.00 64.53 C ATOM 747 C SER A 47 -15.525 2.396 0.195 1.00 10.52 C ATOM 748 O SER A 47 -16.664 2.801 -0.050 1.00 73.30 O ATOM 749 CB SER A 47 -14.864 1.554 -2.087 1.00 22.23 C ATOM 750 OG SER A 47 -16.017 2.075 -2.727 1.00 42.15 O ATOM 0 H SER A 47 -13.050 0.930 -0.407 1.00 72.21 H new ATOM 0 HA SER A 47 -14.326 3.448 -1.220 1.00 64.53 H new ATOM 0 HB2 SER A 47 -14.043 1.500 -2.802 1.00 22.23 H new ATOM 0 HB3 SER A 47 -15.062 0.536 -1.751 1.00 22.23 H new ATOM 0 HG SER A 47 -16.584 2.524 -2.065 1.00 42.15 H new ATOM 756 N LYS A 48 -15.147 1.930 1.389 1.00 31.21 N ATOM 757 CA LYS A 48 -16.052 1.864 2.540 1.00 4.22 C ATOM 758 C LYS A 48 -17.299 1.039 2.217 1.00 43.21 C ATOM 759 O LYS A 48 -18.423 1.552 2.214 1.00 40.15 O ATOM 760 CB LYS A 48 -16.439 3.275 3.004 1.00 53.34 C ATOM 761 CG LYS A 48 -15.249 4.111 3.449 1.00 60.01 C ATOM 762 CD LYS A 48 -15.671 5.505 3.888 1.00 22.31 C ATOM 763 CE LYS A 48 -14.478 6.328 4.354 1.00 3.23 C ATOM 764 NZ LYS A 48 -14.880 7.678 4.834 1.00 61.32 N1+ ATOM 0 H LYS A 48 -14.206 1.588 1.585 1.00 31.21 H new ATOM 0 HA LYS A 48 -15.525 1.366 3.354 1.00 4.22 H new ATOM 0 HB2 LYS A 48 -16.951 3.789 2.191 1.00 53.34 H new ATOM 0 HB3 LYS A 48 -17.148 3.197 3.829 1.00 53.34 H new ATOM 0 HG2 LYS A 48 -14.740 3.609 4.272 1.00 60.01 H new ATOM 0 HG3 LYS A 48 -14.533 4.189 2.631 1.00 60.01 H new ATOM 0 HD2 LYS A 48 -16.165 6.014 3.060 1.00 22.31 H new ATOM 0 HD3 LYS A 48 -16.399 5.429 4.695 1.00 22.31 H new ATOM 0 HE2 LYS A 48 -13.964 5.798 5.155 1.00 3.23 H new ATOM 0 HE3 LYS A 48 -13.768 6.432 3.534 1.00 3.23 H new ATOM 0 HZ1 LYS A 48 -14.036 8.203 5.141 1.00 61.32 H new ATOM 0 HZ2 LYS A 48 -15.348 8.196 4.063 1.00 61.32 H new ATOM 0 HZ3 LYS A 48 -15.537 7.580 5.634 1.00 61.32 H new ATOM 778 N ILE A 49 -17.087 -0.243 1.951 1.00 12.34 N ATOM 779 CA ILE A 49 -18.165 -1.144 1.562 1.00 25.44 C ATOM 780 C ILE A 49 -18.703 -1.907 2.773 1.00 14.21 C ATOM 781 O ILE A 49 -17.941 -2.331 3.641 1.00 35.14 O ATOM 782 CB ILE A 49 -17.686 -2.148 0.487 1.00 45.12 C ATOM 783 CG1 ILE A 49 -17.191 -1.400 -0.756 1.00 55.21 C ATOM 784 CG2 ILE A 49 -18.796 -3.128 0.116 1.00 44.43 C ATOM 785 CD1 ILE A 49 -18.251 -0.544 -1.420 1.00 13.30 C ATOM 0 H ILE A 49 -16.169 -0.686 1.998 1.00 12.34 H new ATOM 0 HA ILE A 49 -18.966 -0.535 1.144 1.00 25.44 H new ATOM 0 HB ILE A 49 -16.858 -2.722 0.903 1.00 45.12 H new ATOM 0 HG12 ILE A 49 -16.349 -0.767 -0.476 1.00 55.21 H new ATOM 0 HG13 ILE A 49 -16.817 -2.125 -1.479 1.00 55.21 H new ATOM 0 HG21 ILE A 49 -18.431 -3.822 -0.641 1.00 44.43 H new ATOM 0 HG22 ILE A 49 -19.100 -3.685 1.002 1.00 44.43 H new ATOM 0 HG23 ILE A 49 -19.651 -2.578 -0.278 1.00 44.43 H new ATOM 0 HD11 ILE A 49 -17.824 -0.047 -2.291 1.00 13.30 H new ATOM 0 HD12 ILE A 49 -19.084 -1.174 -1.733 1.00 13.30 H new ATOM 0 HD13 ILE A 49 -18.608 0.205 -0.714 1.00 13.30 H new ATOM 797 N ARG A 50 -20.019 -2.066 2.827 1.00 30.35 N ATOM 798 CA ARG A 50 -20.672 -2.747 3.936 1.00 51.11 C ATOM 799 C ARG A 50 -20.960 -4.208 3.594 1.00 44.23 C ATOM 800 O ARG A 50 -21.723 -4.506 2.669 1.00 13.35 O ATOM 801 CB ARG A 50 -21.965 -2.010 4.297 1.00 54.14 C ATOM 802 CG ARG A 50 -22.827 -2.703 5.344 1.00 1.32 C ATOM 803 CD ARG A 50 -22.021 -3.107 6.566 1.00 32.52 C ATOM 804 NE ARG A 50 -22.854 -3.177 7.767 1.00 54.12 N ATOM 805 CZ ARG A 50 -22.784 -4.138 8.688 1.00 71.13 C ATOM 806 NH1 ARG A 50 -21.961 -5.169 8.538 1.00 62.12 N ATOM 807 NH2 ARG A 50 -23.561 -4.067 9.762 1.00 11.41 N ATOM 0 H ARG A 50 -20.660 -1.729 2.108 1.00 30.35 H new ATOM 0 HA ARG A 50 -20.002 -2.739 4.796 1.00 51.11 H new ATOM 0 HB2 ARG A 50 -21.709 -1.014 4.659 1.00 54.14 H new ATOM 0 HB3 ARG A 50 -22.556 -1.878 3.391 1.00 54.14 H new ATOM 0 HG2 ARG A 50 -23.636 -2.037 5.647 1.00 1.32 H new ATOM 0 HG3 ARG A 50 -23.289 -3.587 4.906 1.00 1.32 H new ATOM 0 HD2 ARG A 50 -21.555 -4.076 6.390 1.00 32.52 H new ATOM 0 HD3 ARG A 50 -21.215 -2.390 6.724 1.00 32.52 H new ATOM 0 HE ARG A 50 -23.539 -2.435 7.910 1.00 54.12 H new ATOM 0 HH11 ARG A 50 -21.371 -5.234 7.709 1.00 62.12 H new ATOM 0 HH12 ARG A 50 -21.919 -5.896 9.252 1.00 62.12 H new ATOM 0 HH21 ARG A 50 -24.203 -3.283 9.876 1.00 11.41 H new ATOM 0 HH22 ARG A 50 -23.516 -4.797 10.473 1.00 11.41 H new ATOM 821 N ILE A 51 -20.342 -5.109 4.349 1.00 54.21 N ATOM 822 CA ILE A 51 -20.546 -6.539 4.172 1.00 23.01 C ATOM 823 C ILE A 51 -21.750 -6.992 4.984 1.00 4.40 C ATOM 824 O ILE A 51 -21.806 -6.766 6.192 1.00 64.54 O ATOM 825 CB ILE A 51 -19.313 -7.368 4.612 1.00 72.35 C ATOM 826 CG1 ILE A 51 -18.042 -6.903 3.892 1.00 62.33 C ATOM 827 CG2 ILE A 51 -19.547 -8.854 4.359 1.00 52.42 C ATOM 828 CD1 ILE A 51 -17.374 -5.702 4.530 1.00 32.42 C ATOM 0 H ILE A 51 -19.690 -4.870 5.096 1.00 54.21 H new ATOM 0 HA ILE A 51 -20.710 -6.709 3.108 1.00 23.01 H new ATOM 0 HB ILE A 51 -19.173 -7.210 5.681 1.00 72.35 H new ATOM 0 HG12 ILE A 51 -17.331 -7.728 3.864 1.00 62.33 H new ATOM 0 HG13 ILE A 51 -18.291 -6.661 2.859 1.00 62.33 H new ATOM 0 HG21 ILE A 51 -18.670 -9.419 4.674 1.00 52.42 H new ATOM 0 HG22 ILE A 51 -20.417 -9.187 4.926 1.00 52.42 H new ATOM 0 HG23 ILE A 51 -19.722 -9.019 3.296 1.00 52.42 H new ATOM 0 HD11 ILE A 51 -16.483 -5.436 3.961 1.00 32.42 H new ATOM 0 HD12 ILE A 51 -18.066 -4.860 4.534 1.00 32.42 H new ATOM 0 HD13 ILE A 51 -17.092 -5.944 5.554 1.00 32.42 H new ATOM 840 N ILE A 52 -22.713 -7.614 4.321 1.00 10.35 N ATOM 841 CA ILE A 52 -23.899 -8.115 4.998 1.00 32.30 C ATOM 842 C ILE A 52 -23.944 -9.635 4.935 1.00 61.44 C ATOM 843 O ILE A 52 -23.464 -10.240 3.976 1.00 13.32 O ATOM 844 CB ILE A 52 -25.216 -7.534 4.414 1.00 54.25 C ATOM 845 CG1 ILE A 52 -25.453 -7.982 2.958 1.00 11.02 C ATOM 846 CG2 ILE A 52 -25.212 -6.014 4.504 1.00 75.23 C ATOM 847 CD1 ILE A 52 -24.536 -7.338 1.934 1.00 32.53 C ATOM 0 H ILE A 52 -22.696 -7.784 3.315 1.00 10.35 H new ATOM 0 HA ILE A 52 -23.826 -7.786 6.035 1.00 32.30 H new ATOM 0 HB ILE A 52 -26.037 -7.927 5.014 1.00 54.25 H new ATOM 0 HG12 ILE A 52 -25.333 -9.064 2.902 1.00 11.02 H new ATOM 0 HG13 ILE A 52 -26.486 -7.761 2.689 1.00 11.02 H new ATOM 0 HG21 ILE A 52 -26.142 -5.623 4.091 1.00 75.23 H new ATOM 0 HG22 ILE A 52 -25.123 -5.712 5.547 1.00 75.23 H new ATOM 0 HG23 ILE A 52 -24.368 -5.618 3.938 1.00 75.23 H new ATOM 0 HD11 ILE A 52 -24.778 -7.715 0.940 1.00 32.53 H new ATOM 0 HD12 ILE A 52 -24.670 -6.257 1.954 1.00 32.53 H new ATOM 0 HD13 ILE A 52 -23.500 -7.579 2.171 1.00 32.53 H new ATOM 859 N ILE A 53 -24.503 -10.249 5.967 1.00 54.43 N ATOM 860 CA ILE A 53 -24.597 -11.701 6.033 1.00 62.01 C ATOM 861 C ILE A 53 -25.743 -12.203 5.156 1.00 62.43 C ATOM 862 O ILE A 53 -26.798 -11.570 5.079 1.00 75.43 O ATOM 863 CB ILE A 53 -24.805 -12.189 7.484 1.00 74.10 C ATOM 864 CG1 ILE A 53 -23.738 -11.589 8.405 1.00 54.34 C ATOM 865 CG2 ILE A 53 -24.758 -13.710 7.544 1.00 34.21 C ATOM 866 CD1 ILE A 53 -23.919 -11.952 9.864 1.00 71.04 C ATOM 0 H ILE A 53 -24.899 -9.764 6.772 1.00 54.43 H new ATOM 0 HA ILE A 53 -23.654 -12.106 5.665 1.00 62.01 H new ATOM 0 HB ILE A 53 -25.786 -11.858 7.824 1.00 74.10 H new ATOM 0 HG12 ILE A 53 -22.755 -11.926 8.075 1.00 54.34 H new ATOM 0 HG13 ILE A 53 -23.753 -10.504 8.305 1.00 54.34 H new ATOM 0 HG21 ILE A 53 -24.906 -14.038 8.573 1.00 34.21 H new ATOM 0 HG22 ILE A 53 -25.546 -14.123 6.914 1.00 34.21 H new ATOM 0 HG23 ILE A 53 -23.788 -14.058 7.188 1.00 34.21 H new ATOM 0 HD11 ILE A 53 -23.127 -11.492 10.454 1.00 71.04 H new ATOM 0 HD12 ILE A 53 -24.887 -11.591 10.211 1.00 71.04 H new ATOM 0 HD13 ILE A 53 -23.873 -13.035 9.978 1.00 71.04 H new ATOM 878 N GLY A 54 -25.537 -13.339 4.501 1.00 43.33 N ATOM 879 CA GLY A 54 -26.560 -13.886 3.635 1.00 43.24 C ATOM 880 C GLY A 54 -26.455 -13.336 2.233 1.00 32.41 C ATOM 881 O GLY A 54 -27.465 -13.009 1.603 1.00 70.54 O ATOM 0 H GLY A 54 -24.680 -13.890 4.555 1.00 43.33 H new ATOM 0 HA2 GLY A 54 -26.472 -14.972 3.608 1.00 43.24 H new ATOM 0 HA3 GLY A 54 -27.544 -13.656 4.044 1.00 43.24 H new ATOM 885 N ASP A 55 -25.226 -13.228 1.755 1.00 40.43 N ATOM 886 CA ASP A 55 -24.954 -12.709 0.424 1.00 34.43 C ATOM 887 C ASP A 55 -23.697 -13.381 -0.124 1.00 74.44 C ATOM 888 O ASP A 55 -23.058 -14.180 0.569 1.00 23.44 O ATOM 889 CB ASP A 55 -24.750 -11.187 0.480 1.00 22.52 C ATOM 890 CG ASP A 55 -25.154 -10.470 -0.802 1.00 23.52 C ATOM 891 OD1 ASP A 55 -24.597 -10.782 -1.872 1.00 13.11 O ATOM 892 OD2 ASP A 55 -26.033 -9.579 -0.734 1.00 10.40 O ATOM 0 H ASP A 55 -24.391 -13.496 2.276 1.00 40.43 H new ATOM 0 HA ASP A 55 -25.801 -12.922 -0.229 1.00 34.43 H new ATOM 0 HB2 ASP A 55 -25.328 -10.782 1.311 1.00 22.52 H new ATOM 0 HB3 ASP A 55 -23.701 -10.977 0.689 1.00 22.52 H new ATOM 897 N ARG A 56 -23.343 -13.056 -1.350 1.00 32.32 N ATOM 898 CA ARG A 56 -22.122 -13.560 -1.953 1.00 54.05 C ATOM 899 C ARG A 56 -21.053 -12.478 -1.906 1.00 1.42 C ATOM 900 O ARG A 56 -21.365 -11.288 -1.913 1.00 33.43 O ATOM 901 CB ARG A 56 -22.374 -14.001 -3.400 1.00 63.24 C ATOM 902 CG ARG A 56 -22.756 -15.469 -3.547 1.00 13.41 C ATOM 903 CD ARG A 56 -21.534 -16.374 -3.447 1.00 2.15 C ATOM 904 NE ARG A 56 -21.869 -17.793 -3.598 1.00 65.43 N ATOM 905 CZ ARG A 56 -21.406 -18.574 -4.581 1.00 24.31 C ATOM 906 NH1 ARG A 56 -20.676 -18.054 -5.561 1.00 25.34 N ATOM 907 NH2 ARG A 56 -21.678 -19.877 -4.585 1.00 2.32 N ATOM 0 H ARG A 56 -23.887 -12.440 -1.954 1.00 32.32 H new ATOM 0 HA ARG A 56 -21.780 -14.430 -1.392 1.00 54.05 H new ATOM 0 HB2 ARG A 56 -23.169 -13.386 -3.822 1.00 63.24 H new ATOM 0 HB3 ARG A 56 -21.476 -13.810 -3.988 1.00 63.24 H new ATOM 0 HG2 ARG A 56 -23.475 -15.739 -2.773 1.00 13.41 H new ATOM 0 HG3 ARG A 56 -23.248 -15.624 -4.507 1.00 13.41 H new ATOM 0 HD2 ARG A 56 -20.813 -16.091 -4.214 1.00 2.15 H new ATOM 0 HD3 ARG A 56 -21.050 -16.219 -2.483 1.00 2.15 H new ATOM 0 HE ARG A 56 -22.495 -18.212 -2.910 1.00 65.43 H new ATOM 0 HH11 ARG A 56 -20.466 -17.056 -5.566 1.00 25.34 H new ATOM 0 HH12 ARG A 56 -20.325 -18.653 -6.308 1.00 25.34 H new ATOM 0 HH21 ARG A 56 -22.241 -20.283 -3.837 1.00 2.32 H new ATOM 0 HH22 ARG A 56 -21.324 -20.470 -5.336 1.00 2.32 H new ATOM 921 N VAL A 57 -19.802 -12.880 -1.825 1.00 40.32 N ATOM 922 CA VAL A 57 -18.701 -11.934 -1.817 1.00 52.35 C ATOM 923 C VAL A 57 -17.594 -12.399 -2.750 1.00 11.41 C ATOM 924 O VAL A 57 -17.530 -13.574 -3.109 1.00 13.33 O ATOM 925 CB VAL A 57 -18.114 -11.735 -0.400 1.00 72.14 C ATOM 926 CG1 VAL A 57 -19.161 -11.180 0.557 1.00 54.35 C ATOM 927 CG2 VAL A 57 -17.542 -13.041 0.133 1.00 23.44 C ATOM 0 H VAL A 57 -19.519 -13.858 -1.764 1.00 40.32 H new ATOM 0 HA VAL A 57 -19.103 -10.980 -2.159 1.00 52.35 H new ATOM 0 HB VAL A 57 -17.306 -11.007 -0.473 1.00 72.14 H new ATOM 0 HG11 VAL A 57 -18.719 -11.051 1.545 1.00 54.35 H new ATOM 0 HG12 VAL A 57 -19.516 -10.217 0.190 1.00 54.35 H new ATOM 0 HG13 VAL A 57 -19.999 -11.874 0.622 1.00 54.35 H new ATOM 0 HG21 VAL A 57 -17.134 -12.879 1.131 1.00 23.44 H new ATOM 0 HG22 VAL A 57 -18.331 -13.791 0.181 1.00 23.44 H new ATOM 0 HG23 VAL A 57 -16.750 -13.389 -0.530 1.00 23.44 H new ATOM 937 N LEU A 58 -16.736 -11.477 -3.142 1.00 14.43 N ATOM 938 CA LEU A 58 -15.576 -11.806 -3.946 1.00 14.52 C ATOM 939 C LEU A 58 -14.339 -11.721 -3.073 1.00 23.15 C ATOM 940 O LEU A 58 -14.015 -10.653 -2.548 1.00 25.04 O ATOM 941 CB LEU A 58 -15.456 -10.846 -5.135 1.00 4.14 C ATOM 942 CG LEU A 58 -14.305 -11.137 -6.101 1.00 73.24 C ATOM 943 CD1 LEU A 58 -14.503 -12.483 -6.776 1.00 61.01 C ATOM 944 CD2 LEU A 58 -14.191 -10.031 -7.139 1.00 53.52 C ATOM 0 H LEU A 58 -16.822 -10.487 -2.914 1.00 14.43 H new ATOM 0 HA LEU A 58 -15.680 -12.817 -4.340 1.00 14.52 H new ATOM 0 HB2 LEU A 58 -16.391 -10.869 -5.694 1.00 4.14 H new ATOM 0 HB3 LEU A 58 -15.338 -9.833 -4.751 1.00 4.14 H new ATOM 0 HG LEU A 58 -13.377 -11.173 -5.531 1.00 73.24 H new ATOM 0 HD11 LEU A 58 -13.675 -12.673 -7.459 1.00 61.01 H new ATOM 0 HD12 LEU A 58 -14.537 -13.268 -6.020 1.00 61.01 H new ATOM 0 HD13 LEU A 58 -15.439 -12.476 -7.334 1.00 61.01 H new ATOM 0 HD21 LEU A 58 -13.368 -10.253 -7.818 1.00 53.52 H new ATOM 0 HD22 LEU A 58 -15.121 -9.965 -7.704 1.00 53.52 H new ATOM 0 HD23 LEU A 58 -14.003 -9.081 -6.639 1.00 53.52 H new ATOM 956 N VAL A 59 -13.675 -12.848 -2.889 1.00 42.31 N ATOM 957 CA VAL A 59 -12.505 -12.902 -2.036 1.00 12.34 C ATOM 958 C VAL A 59 -11.233 -13.009 -2.871 1.00 72.24 C ATOM 959 O VAL A 59 -11.119 -13.853 -3.765 1.00 62.23 O ATOM 960 CB VAL A 59 -12.586 -14.065 -1.014 1.00 53.25 C ATOM 961 CG1 VAL A 59 -12.838 -15.390 -1.708 1.00 23.53 C ATOM 962 CG2 VAL A 59 -11.319 -14.134 -0.173 1.00 54.13 C ATOM 0 H VAL A 59 -13.927 -13.738 -3.320 1.00 42.31 H new ATOM 0 HA VAL A 59 -12.474 -11.971 -1.469 1.00 12.34 H new ATOM 0 HB VAL A 59 -13.429 -13.867 -0.352 1.00 53.25 H new ATOM 0 HG11 VAL A 59 -12.890 -16.186 -0.965 1.00 23.53 H new ATOM 0 HG12 VAL A 59 -13.780 -15.341 -2.254 1.00 23.53 H new ATOM 0 HG13 VAL A 59 -12.025 -15.596 -2.405 1.00 23.53 H new ATOM 0 HG21 VAL A 59 -11.398 -14.957 0.537 1.00 54.13 H new ATOM 0 HG22 VAL A 59 -10.459 -14.297 -0.823 1.00 54.13 H new ATOM 0 HG23 VAL A 59 -11.191 -13.198 0.370 1.00 54.13 H new ATOM 972 N GLU A 60 -10.302 -12.113 -2.595 1.00 11.43 N ATOM 973 CA GLU A 60 -9.017 -12.100 -3.272 1.00 11.40 C ATOM 974 C GLU A 60 -7.952 -12.683 -2.346 1.00 74.10 C ATOM 975 O GLU A 60 -7.588 -12.050 -1.354 1.00 2.24 O ATOM 976 CB GLU A 60 -8.634 -10.659 -3.633 1.00 55.34 C ATOM 977 CG GLU A 60 -9.755 -9.844 -4.264 1.00 34.12 C ATOM 978 CD GLU A 60 -9.366 -8.393 -4.490 1.00 61.53 C ATOM 979 OE1 GLU A 60 -9.148 -8.007 -5.655 1.00 2.43 O ATOM 980 OE2 GLU A 60 -9.265 -7.631 -3.500 1.00 34.13 O ATOM 0 H GLU A 60 -10.414 -11.377 -1.898 1.00 11.43 H new ATOM 0 HA GLU A 60 -9.085 -12.696 -4.182 1.00 11.40 H new ATOM 0 HB2 GLU A 60 -8.296 -10.150 -2.730 1.00 55.34 H new ATOM 0 HB3 GLU A 60 -7.789 -10.683 -4.321 1.00 55.34 H new ATOM 0 HG2 GLU A 60 -10.035 -10.294 -5.217 1.00 34.12 H new ATOM 0 HG3 GLU A 60 -10.635 -9.885 -3.622 1.00 34.12 H new ATOM 987 N MET A 61 -7.458 -13.880 -2.640 1.00 35.33 N ATOM 988 CA MET A 61 -6.434 -14.488 -1.795 1.00 70.10 C ATOM 989 C MET A 61 -5.403 -15.249 -2.624 1.00 30.03 C ATOM 990 O MET A 61 -5.731 -15.874 -3.633 1.00 41.43 O ATOM 991 CB MET A 61 -7.058 -15.422 -0.743 1.00 24.00 C ATOM 992 CG MET A 61 -7.607 -16.733 -1.292 1.00 14.42 C ATOM 993 SD MET A 61 -9.089 -16.524 -2.292 1.00 3.02 S ATOM 994 CE MET A 61 -9.359 -18.210 -2.831 1.00 64.54 C ATOM 0 H MET A 61 -7.743 -14.442 -3.442 1.00 35.33 H new ATOM 0 HA MET A 61 -5.925 -13.675 -1.278 1.00 70.10 H new ATOM 0 HB2 MET A 61 -6.305 -15.648 0.012 1.00 24.00 H new ATOM 0 HB3 MET A 61 -7.865 -14.890 -0.239 1.00 24.00 H new ATOM 0 HG2 MET A 61 -6.837 -17.217 -1.893 1.00 14.42 H new ATOM 0 HG3 MET A 61 -7.830 -17.402 -0.461 1.00 14.42 H new ATOM 0 HE1 MET A 61 -9.794 -18.207 -3.831 1.00 64.54 H new ATOM 0 HE2 MET A 61 -8.408 -18.743 -2.850 1.00 64.54 H new ATOM 0 HE3 MET A 61 -10.040 -18.708 -2.141 1.00 64.54 H new ATOM 1004 N SER A 62 -4.148 -15.166 -2.204 1.00 61.35 N ATOM 1005 CA SER A 62 -3.074 -15.902 -2.845 1.00 41.43 C ATOM 1006 C SER A 62 -2.755 -17.164 -2.043 1.00 75.05 C ATOM 1007 O SER A 62 -2.767 -17.145 -0.813 1.00 73.14 O ATOM 1008 CB SER A 62 -1.833 -15.014 -2.979 1.00 72.43 C ATOM 1009 OG SER A 62 -1.511 -14.392 -1.745 1.00 3.12 O ATOM 0 H SER A 62 -3.850 -14.591 -1.416 1.00 61.35 H new ATOM 0 HA SER A 62 -3.391 -16.199 -3.845 1.00 41.43 H new ATOM 0 HB2 SER A 62 -0.988 -15.614 -3.318 1.00 72.43 H new ATOM 0 HB3 SER A 62 -2.008 -14.252 -3.738 1.00 72.43 H new ATOM 0 HG SER A 62 -0.714 -13.833 -1.859 1.00 3.12 H new ATOM 1015 N ILE A 63 -2.452 -18.250 -2.739 1.00 71.02 N ATOM 1016 CA ILE A 63 -2.262 -19.553 -2.101 1.00 61.15 C ATOM 1017 C ILE A 63 -0.878 -19.651 -1.434 1.00 71.12 C ATOM 1018 O ILE A 63 -0.511 -20.687 -0.883 1.00 40.41 O ATOM 1019 CB ILE A 63 -2.439 -20.715 -3.122 1.00 43.32 C ATOM 1020 CG1 ILE A 63 -3.667 -20.495 -4.021 1.00 24.40 C ATOM 1021 CG2 ILE A 63 -2.572 -22.051 -2.402 1.00 13.10 C ATOM 1022 CD1 ILE A 63 -3.401 -19.626 -5.233 1.00 12.13 C ATOM 0 H ILE A 63 -2.331 -18.258 -3.752 1.00 71.02 H new ATOM 0 HA ILE A 63 -3.028 -19.647 -1.331 1.00 61.15 H new ATOM 0 HB ILE A 63 -1.548 -20.729 -3.750 1.00 43.32 H new ATOM 0 HG12 ILE A 63 -4.036 -21.464 -4.357 1.00 24.40 H new ATOM 0 HG13 ILE A 63 -4.460 -20.040 -3.428 1.00 24.40 H new ATOM 0 HG21 ILE A 63 -2.695 -22.849 -3.135 1.00 13.10 H new ATOM 0 HG22 ILE A 63 -1.675 -22.236 -1.811 1.00 13.10 H new ATOM 0 HG23 ILE A 63 -3.441 -22.025 -1.745 1.00 13.10 H new ATOM 0 HD11 ILE A 63 -4.318 -19.521 -5.813 1.00 12.13 H new ATOM 0 HD12 ILE A 63 -3.062 -18.642 -4.908 1.00 12.13 H new ATOM 0 HD13 ILE A 63 -2.631 -20.089 -5.851 1.00 12.13 H new ATOM 1034 N TYR A 64 -0.124 -18.556 -1.471 1.00 72.23 N ATOM 1035 CA TYR A 64 1.241 -18.541 -0.950 1.00 53.42 C ATOM 1036 C TYR A 64 1.303 -18.841 0.554 1.00 4.14 C ATOM 1037 O TYR A 64 1.588 -19.971 0.956 1.00 42.22 O ATOM 1038 CB TYR A 64 1.916 -17.196 -1.234 1.00 22.23 C ATOM 1039 CG TYR A 64 2.221 -16.955 -2.696 1.00 33.42 C ATOM 1040 CD1 TYR A 64 3.221 -17.672 -3.343 1.00 2.11 C ATOM 1041 CD2 TYR A 64 1.521 -16.001 -3.423 1.00 62.34 C ATOM 1042 CE1 TYR A 64 3.512 -17.446 -4.674 1.00 41.13 C ATOM 1043 CE2 TYR A 64 1.806 -15.772 -4.755 1.00 73.41 C ATOM 1044 CZ TYR A 64 2.803 -16.495 -5.376 1.00 54.41 C ATOM 1045 OH TYR A 64 3.094 -16.265 -6.701 1.00 51.33 O ATOM 0 H TYR A 64 -0.436 -17.665 -1.857 1.00 72.23 H new ATOM 0 HA TYR A 64 1.777 -19.336 -1.468 1.00 53.42 H new ATOM 0 HB2 TYR A 64 1.272 -16.395 -0.871 1.00 22.23 H new ATOM 0 HB3 TYR A 64 2.845 -17.141 -0.666 1.00 22.23 H new ATOM 0 HD1 TYR A 64 3.779 -18.418 -2.796 1.00 2.11 H new ATOM 0 HD2 TYR A 64 0.742 -15.430 -2.940 1.00 62.34 H new ATOM 0 HE1 TYR A 64 4.291 -18.012 -5.163 1.00 41.13 H new ATOM 0 HE2 TYR A 64 1.250 -15.029 -5.308 1.00 73.41 H new ATOM 0 HH TYR A 64 3.427 -17.091 -7.111 1.00 51.33 H new ATOM 1055 N ASP A 65 1.052 -17.833 1.388 1.00 54.24 N ATOM 1056 CA ASP A 65 1.231 -18.000 2.832 1.00 3.40 C ATOM 1057 C ASP A 65 0.267 -17.139 3.656 1.00 42.24 C ATOM 1058 O ASP A 65 -0.660 -17.656 4.271 1.00 15.43 O ATOM 1059 CB ASP A 65 2.682 -17.678 3.208 1.00 75.40 C ATOM 1060 CG ASP A 65 2.899 -17.584 4.704 1.00 41.41 C ATOM 1061 OD1 ASP A 65 2.919 -18.631 5.378 1.00 33.44 O ATOM 1062 OD2 ASP A 65 3.068 -16.456 5.208 1.00 0.32 O ATOM 0 H ASP A 65 0.730 -16.909 1.098 1.00 54.24 H new ATOM 0 HA ASP A 65 1.002 -19.039 3.070 1.00 3.40 H new ATOM 0 HB2 ASP A 65 3.337 -18.448 2.799 1.00 75.40 H new ATOM 0 HB3 ASP A 65 2.971 -16.735 2.745 1.00 75.40 H new ATOM 1067 N ARG A 66 0.472 -15.824 3.644 1.00 73.51 N ATOM 1068 CA ARG A 66 -0.317 -14.915 4.484 1.00 31.21 C ATOM 1069 C ARG A 66 -1.773 -14.853 4.029 1.00 40.22 C ATOM 1070 O ARG A 66 -2.678 -14.654 4.837 1.00 35.33 O ATOM 1071 CB ARG A 66 0.285 -13.497 4.507 1.00 43.43 C ATOM 1072 CG ARG A 66 0.288 -12.779 3.161 1.00 53.34 C ATOM 1073 CD ARG A 66 1.317 -13.373 2.217 1.00 73.24 C ATOM 1074 NE ARG A 66 1.221 -12.847 0.862 1.00 0.24 N ATOM 1075 CZ ARG A 66 2.122 -13.097 -0.084 1.00 50.20 C ATOM 1076 NH1 ARG A 66 3.210 -13.804 0.200 1.00 13.20 N ATOM 1077 NH2 ARG A 66 1.948 -12.621 -1.303 1.00 21.21 N ATOM 0 H ARG A 66 1.174 -15.362 3.066 1.00 73.51 H new ATOM 0 HA ARG A 66 -0.287 -15.319 5.496 1.00 31.21 H new ATOM 0 HB2 ARG A 66 -0.272 -12.893 5.223 1.00 43.43 H new ATOM 0 HB3 ARG A 66 1.310 -13.559 4.872 1.00 43.43 H new ATOM 0 HG2 ARG A 66 -0.702 -12.845 2.710 1.00 53.34 H new ATOM 0 HG3 ARG A 66 0.500 -11.720 3.312 1.00 53.34 H new ATOM 0 HD2 ARG A 66 2.316 -13.176 2.607 1.00 73.24 H new ATOM 0 HD3 ARG A 66 1.194 -14.456 2.190 1.00 73.24 H new ATOM 0 HE ARG A 66 0.423 -12.257 0.627 1.00 0.24 H new ATOM 0 HH11 ARG A 66 3.356 -14.157 1.146 1.00 13.20 H new ATOM 0 HH12 ARG A 66 3.899 -13.994 -0.528 1.00 13.20 H new ATOM 0 HH21 ARG A 66 1.123 -12.062 -1.519 1.00 21.21 H new ATOM 0 HH22 ARG A 66 2.639 -12.812 -2.029 1.00 21.21 H new ATOM 1091 N ASN A 67 -1.996 -15.025 2.735 1.00 34.35 N ATOM 1092 CA ASN A 67 -3.346 -14.991 2.192 1.00 70.04 C ATOM 1093 C ASN A 67 -3.878 -16.403 1.991 1.00 73.12 C ATOM 1094 O ASN A 67 -4.930 -16.600 1.390 1.00 63.20 O ATOM 1095 CB ASN A 67 -3.390 -14.222 0.866 1.00 23.22 C ATOM 1096 CG ASN A 67 -2.996 -12.764 1.011 1.00 73.14 C ATOM 1097 OD1 ASN A 67 -1.828 -12.406 0.863 1.00 43.20 O ATOM 1098 ND2 ASN A 67 -3.970 -11.912 1.299 1.00 33.13 N ATOM 0 H ASN A 67 -1.264 -15.189 2.044 1.00 34.35 H new ATOM 0 HA ASN A 67 -3.980 -14.472 2.911 1.00 70.04 H new ATOM 0 HB2 ASN A 67 -2.722 -14.703 0.151 1.00 23.22 H new ATOM 0 HB3 ASN A 67 -4.397 -14.281 0.452 1.00 23.22 H new ATOM 0 HD21 ASN A 67 -3.764 -10.919 1.406 1.00 33.13 H new ATOM 0 HD22 ASN A 67 -4.926 -12.250 1.414 1.00 33.13 H new ATOM 1105 N ALA A 68 -3.155 -17.382 2.520 1.00 33.12 N ATOM 1106 CA ALA A 68 -3.524 -18.779 2.345 1.00 5.24 C ATOM 1107 C ALA A 68 -4.618 -19.182 3.326 1.00 11.14 C ATOM 1108 O ALA A 68 -5.305 -20.185 3.125 1.00 14.10 O ATOM 1109 CB ALA A 68 -2.305 -19.675 2.503 1.00 32.54 C ATOM 0 H ALA A 68 -2.311 -17.234 3.073 1.00 33.12 H new ATOM 0 HA ALA A 68 -3.916 -18.903 1.335 1.00 5.24 H new ATOM 0 HB1 ALA A 68 -2.599 -20.716 2.369 1.00 32.54 H new ATOM 0 HB2 ALA A 68 -1.559 -19.409 1.754 1.00 32.54 H new ATOM 0 HB3 ALA A 68 -1.883 -19.542 3.499 1.00 32.54 H new ATOM 1115 N LYS A 69 -4.774 -18.411 4.396 1.00 64.44 N ATOM 1116 CA LYS A 69 -5.828 -18.683 5.361 1.00 21.03 C ATOM 1117 C LYS A 69 -6.869 -17.571 5.345 1.00 14.13 C ATOM 1118 O LYS A 69 -8.008 -17.774 5.762 1.00 31.34 O ATOM 1119 CB LYS A 69 -5.244 -18.877 6.773 1.00 3.22 C ATOM 1120 CG LYS A 69 -4.830 -17.596 7.494 1.00 35.13 C ATOM 1121 CD LYS A 69 -5.955 -17.061 8.377 1.00 52.34 C ATOM 1122 CE LYS A 69 -5.507 -15.862 9.198 1.00 52.41 C ATOM 1123 NZ LYS A 69 -6.573 -15.376 10.118 1.00 73.32 N1+ ATOM 0 H LYS A 69 -4.191 -17.603 4.614 1.00 64.44 H new ATOM 0 HA LYS A 69 -6.322 -19.612 5.076 1.00 21.03 H new ATOM 0 HB2 LYS A 69 -5.982 -19.395 7.385 1.00 3.22 H new ATOM 0 HB3 LYS A 69 -4.374 -19.530 6.701 1.00 3.22 H new ATOM 0 HG2 LYS A 69 -3.948 -17.790 8.105 1.00 35.13 H new ATOM 0 HG3 LYS A 69 -4.550 -16.839 6.761 1.00 35.13 H new ATOM 0 HD2 LYS A 69 -6.803 -16.778 7.754 1.00 52.34 H new ATOM 0 HD3 LYS A 69 -6.300 -17.851 9.045 1.00 52.34 H new ATOM 0 HE2 LYS A 69 -4.624 -16.131 9.778 1.00 52.41 H new ATOM 0 HE3 LYS A 69 -5.213 -15.055 8.527 1.00 52.41 H new ATOM 0 HZ1 LYS A 69 -6.158 -15.158 11.046 1.00 73.32 H new ATOM 0 HZ2 LYS A 69 -7.007 -14.517 9.723 1.00 73.32 H new ATOM 0 HZ3 LYS A 69 -7.299 -16.112 10.228 1.00 73.32 H new ATOM 1137 N LYS A 70 -6.480 -16.399 4.852 1.00 1.31 N ATOM 1138 CA LYS A 70 -7.385 -15.261 4.820 1.00 4.23 C ATOM 1139 C LYS A 70 -7.200 -14.442 3.546 1.00 12.03 C ATOM 1140 O LYS A 70 -6.078 -14.183 3.112 1.00 45.00 O ATOM 1141 CB LYS A 70 -7.212 -14.391 6.078 1.00 64.55 C ATOM 1142 CG LYS A 70 -5.816 -13.809 6.272 1.00 74.52 C ATOM 1143 CD LYS A 70 -5.673 -12.443 5.617 1.00 12.10 C ATOM 1144 CE LYS A 70 -4.307 -11.832 5.883 1.00 11.11 C ATOM 1145 NZ LYS A 70 -4.039 -11.676 7.336 1.00 45.33 N1+ ATOM 0 H LYS A 70 -5.551 -16.216 4.473 1.00 1.31 H new ATOM 0 HA LYS A 70 -8.406 -15.642 4.815 1.00 4.23 H new ATOM 0 HB2 LYS A 70 -7.929 -13.571 6.035 1.00 64.55 H new ATOM 0 HB3 LYS A 70 -7.464 -14.990 6.953 1.00 64.55 H new ATOM 0 HG2 LYS A 70 -5.603 -13.724 7.338 1.00 74.52 H new ATOM 0 HG3 LYS A 70 -5.077 -14.492 5.853 1.00 74.52 H new ATOM 0 HD2 LYS A 70 -5.826 -12.537 4.542 1.00 12.10 H new ATOM 0 HD3 LYS A 70 -6.449 -11.776 5.993 1.00 12.10 H new ATOM 0 HE2 LYS A 70 -3.536 -12.461 5.438 1.00 11.11 H new ATOM 0 HE3 LYS A 70 -4.245 -10.859 5.397 1.00 11.11 H new ATOM 0 HZ1 LYS A 70 -3.230 -11.037 7.473 1.00 45.33 H new ATOM 0 HZ2 LYS A 70 -4.878 -11.277 7.803 1.00 45.33 H new ATOM 0 HZ3 LYS A 70 -3.821 -12.605 7.750 1.00 45.33 H new ATOM 1159 N GLY A 71 -8.311 -14.045 2.955 1.00 63.44 N ATOM 1160 CA GLY A 71 -8.278 -13.262 1.738 1.00 12.41 C ATOM 1161 C GLY A 71 -8.907 -11.900 1.925 1.00 63.12 C ATOM 1162 O GLY A 71 -9.299 -11.542 3.039 1.00 22.25 O ATOM 0 H GLY A 71 -9.248 -14.253 3.300 1.00 63.44 H new ATOM 0 HA2 GLY A 71 -7.245 -13.143 1.411 1.00 12.41 H new ATOM 0 HA3 GLY A 71 -8.803 -13.798 0.947 1.00 12.41 H new ATOM 1166 N ARG A 72 -9.008 -11.139 0.842 1.00 73.45 N ATOM 1167 CA ARG A 72 -9.636 -9.827 0.893 1.00 72.34 C ATOM 1168 C ARG A 72 -11.122 -9.979 0.610 1.00 3.11 C ATOM 1169 O ARG A 72 -11.508 -10.409 -0.475 1.00 43.13 O ATOM 1170 CB ARG A 72 -9.061 -8.877 -0.162 1.00 2.11 C ATOM 1171 CG ARG A 72 -7.547 -8.790 -0.231 1.00 34.51 C ATOM 1172 CD ARG A 72 -7.148 -7.761 -1.276 1.00 51.43 C ATOM 1173 NE ARG A 72 -5.746 -7.844 -1.672 1.00 62.12 N ATOM 1174 CZ ARG A 72 -5.325 -7.606 -2.917 1.00 40.15 C ATOM 1175 NH1 ARG A 72 -6.207 -7.376 -3.886 1.00 14.42 N ATOM 1176 NH2 ARG A 72 -4.029 -7.615 -3.199 1.00 53.14 N ATOM 0 H ARG A 72 -8.664 -11.408 -0.080 1.00 73.45 H new ATOM 0 HA ARG A 72 -9.450 -9.412 1.884 1.00 72.34 H new ATOM 0 HB2 ARG A 72 -9.431 -9.186 -1.140 1.00 2.11 H new ATOM 0 HB3 ARG A 72 -9.453 -7.878 0.026 1.00 2.11 H new ATOM 0 HG2 ARG A 72 -7.143 -8.512 0.742 1.00 34.51 H new ATOM 0 HG3 ARG A 72 -7.127 -9.763 -0.484 1.00 34.51 H new ATOM 0 HD2 ARG A 72 -7.774 -7.890 -2.159 1.00 51.43 H new ATOM 0 HD3 ARG A 72 -7.348 -6.763 -0.886 1.00 51.43 H new ATOM 0 HE ARG A 72 -5.055 -8.096 -0.965 1.00 62.12 H new ATOM 0 HH11 ARG A 72 -7.206 -7.381 -3.678 1.00 14.42 H new ATOM 0 HH12 ARG A 72 -5.885 -7.194 -4.836 1.00 14.42 H new ATOM 0 HH21 ARG A 72 -3.348 -7.804 -2.463 1.00 53.14 H new ATOM 0 HH22 ARG A 72 -3.713 -7.433 -4.152 1.00 53.14 H new ATOM 1190 N ILE A 73 -11.947 -9.638 1.584 1.00 23.41 N ATOM 1191 CA ILE A 73 -13.388 -9.766 1.438 1.00 11.52 C ATOM 1192 C ILE A 73 -14.024 -8.382 1.310 1.00 24.14 C ATOM 1193 O ILE A 73 -13.725 -7.478 2.089 1.00 70.53 O ATOM 1194 CB ILE A 73 -13.986 -10.565 2.633 1.00 64.25 C ATOM 1195 CG1 ILE A 73 -15.462 -10.941 2.396 1.00 51.43 C ATOM 1196 CG2 ILE A 73 -13.827 -9.801 3.946 1.00 44.35 C ATOM 1197 CD1 ILE A 73 -16.460 -9.842 2.697 1.00 23.00 C ATOM 0 H ILE A 73 -11.644 -9.270 2.486 1.00 23.41 H new ATOM 0 HA ILE A 73 -13.610 -10.323 0.528 1.00 11.52 H new ATOM 0 HB ILE A 73 -13.420 -11.493 2.707 1.00 64.25 H new ATOM 0 HG12 ILE A 73 -15.581 -11.244 1.356 1.00 51.43 H new ATOM 0 HG13 ILE A 73 -15.703 -11.808 3.011 1.00 51.43 H new ATOM 0 HG21 ILE A 73 -14.254 -10.385 4.761 1.00 44.35 H new ATOM 0 HG22 ILE A 73 -12.769 -9.627 4.140 1.00 44.35 H new ATOM 0 HG23 ILE A 73 -14.344 -8.844 3.875 1.00 44.35 H new ATOM 0 HD11 ILE A 73 -17.469 -10.203 2.499 1.00 23.00 H new ATOM 0 HD12 ILE A 73 -16.377 -9.552 3.744 1.00 23.00 H new ATOM 0 HD13 ILE A 73 -16.253 -8.979 2.064 1.00 23.00 H new ATOM 1209 N ILE A 74 -14.866 -8.205 0.298 1.00 53.12 N ATOM 1210 CA ILE A 74 -15.572 -6.943 0.117 1.00 13.25 C ATOM 1211 C ILE A 74 -17.066 -7.174 -0.149 1.00 11.53 C ATOM 1212 O ILE A 74 -17.898 -6.853 0.697 1.00 22.15 O ATOM 1213 CB ILE A 74 -14.928 -6.097 -1.017 1.00 51.15 C ATOM 1214 CG1 ILE A 74 -15.811 -4.895 -1.371 1.00 11.44 C ATOM 1215 CG2 ILE A 74 -14.639 -6.948 -2.249 1.00 64.35 C ATOM 1216 CD1 ILE A 74 -15.232 -4.012 -2.456 1.00 31.13 C ATOM 0 H ILE A 74 -15.075 -8.914 -0.405 1.00 53.12 H new ATOM 0 HA ILE A 74 -15.483 -6.380 1.046 1.00 13.25 H new ATOM 0 HB ILE A 74 -13.975 -5.718 -0.649 1.00 51.15 H new ATOM 0 HG12 ILE A 74 -16.788 -5.256 -1.692 1.00 11.44 H new ATOM 0 HG13 ILE A 74 -15.971 -4.296 -0.474 1.00 11.44 H new ATOM 0 HG21 ILE A 74 -14.189 -6.326 -3.023 1.00 64.35 H new ATOM 0 HG22 ILE A 74 -13.952 -7.751 -1.983 1.00 64.35 H new ATOM 0 HG23 ILE A 74 -15.570 -7.376 -2.622 1.00 64.35 H new ATOM 0 HD11 ILE A 74 -15.912 -3.183 -2.652 1.00 31.13 H new ATOM 0 HD12 ILE A 74 -14.268 -3.621 -2.131 1.00 31.13 H new ATOM 0 HD13 ILE A 74 -15.099 -4.595 -3.367 1.00 31.13 H new ATOM 1228 N ARG A 75 -17.394 -7.756 -1.306 1.00 73.43 N ATOM 1229 CA ARG A 75 -18.767 -8.136 -1.639 1.00 52.23 C ATOM 1230 C ARG A 75 -18.807 -8.657 -3.073 1.00 64.51 C ATOM 1231 O ARG A 75 -17.799 -8.613 -3.776 1.00 63.11 O ATOM 1232 CB ARG A 75 -19.751 -6.968 -1.493 1.00 32.35 C ATOM 1233 CG ARG A 75 -21.145 -7.428 -1.101 1.00 74.01 C ATOM 1234 CD ARG A 75 -22.214 -6.420 -1.474 1.00 51.55 C ATOM 1235 NE ARG A 75 -23.547 -7.014 -1.390 1.00 14.04 N ATOM 1236 CZ ARG A 75 -24.674 -6.390 -1.729 1.00 11.20 C ATOM 1237 NH1 ARG A 75 -24.648 -5.128 -2.136 1.00 22.21 N ATOM 1238 NH2 ARG A 75 -25.830 -7.037 -1.661 1.00 43.42 N ATOM 0 H ARG A 75 -16.716 -7.976 -2.036 1.00 73.43 H new ATOM 0 HA ARG A 75 -19.076 -8.910 -0.936 1.00 52.23 H new ATOM 0 HB2 ARG A 75 -19.376 -6.273 -0.741 1.00 32.35 H new ATOM 0 HB3 ARG A 75 -19.804 -6.421 -2.435 1.00 32.35 H new ATOM 0 HG2 ARG A 75 -21.361 -8.379 -1.588 1.00 74.01 H new ATOM 0 HG3 ARG A 75 -21.177 -7.606 -0.026 1.00 74.01 H new ATOM 0 HD2 ARG A 75 -22.154 -5.558 -0.810 1.00 51.55 H new ATOM 0 HD3 ARG A 75 -22.038 -6.055 -2.486 1.00 51.55 H new ATOM 0 HE ARG A 75 -23.619 -7.972 -1.048 1.00 14.04 H new ATOM 0 HH11 ARG A 75 -23.761 -4.628 -2.191 1.00 22.21 H new ATOM 0 HH12 ARG A 75 -25.515 -4.657 -2.394 1.00 22.21 H new ATOM 0 HH21 ARG A 75 -25.853 -8.008 -1.350 1.00 43.42 H new ATOM 0 HH22 ARG A 75 -26.696 -6.563 -1.920 1.00 43.42 H new ATOM 1252 N ARG A 76 -19.956 -9.173 -3.487 1.00 24.50 N ATOM 1253 CA ARG A 76 -20.152 -9.616 -4.863 1.00 63.05 C ATOM 1254 C ARG A 76 -20.590 -8.451 -5.746 1.00 51.41 C ATOM 1255 O ARG A 76 -21.235 -7.512 -5.276 1.00 71.34 O ATOM 1256 CB ARG A 76 -21.205 -10.738 -4.924 1.00 50.40 C ATOM 1257 CG ARG A 76 -22.613 -10.288 -4.537 1.00 43.43 C ATOM 1258 CD ARG A 76 -23.417 -9.828 -5.744 1.00 23.43 C ATOM 1259 NE ARG A 76 -24.482 -8.903 -5.374 1.00 62.31 N ATOM 1260 CZ ARG A 76 -25.774 -9.105 -5.613 1.00 61.24 C ATOM 1261 NH1 ARG A 76 -26.186 -10.249 -6.149 1.00 74.12 N ATOM 1262 NH2 ARG A 76 -26.653 -8.161 -5.302 1.00 2.35 N ATOM 0 H ARG A 76 -20.772 -9.296 -2.887 1.00 24.50 H new ATOM 0 HA ARG A 76 -19.201 -10.001 -5.232 1.00 63.05 H new ATOM 0 HB2 ARG A 76 -21.229 -11.145 -5.935 1.00 50.40 H new ATOM 0 HB3 ARG A 76 -20.898 -11.547 -4.262 1.00 50.40 H new ATOM 0 HG2 ARG A 76 -23.134 -11.110 -4.046 1.00 43.43 H new ATOM 0 HG3 ARG A 76 -22.548 -9.475 -3.814 1.00 43.43 H new ATOM 0 HD2 ARG A 76 -22.751 -9.346 -6.460 1.00 23.43 H new ATOM 0 HD3 ARG A 76 -23.848 -10.695 -6.244 1.00 23.43 H new ATOM 0 HE ARG A 76 -24.217 -8.040 -4.898 1.00 62.31 H new ATOM 0 HH11 ARG A 76 -25.510 -10.977 -6.379 1.00 74.12 H new ATOM 0 HH12 ARG A 76 -27.178 -10.399 -6.330 1.00 74.12 H new ATOM 0 HH21 ARG A 76 -26.336 -7.287 -4.882 1.00 2.35 H new ATOM 0 HH22 ARG A 76 -27.646 -8.309 -5.483 1.00 2.35 H new ATOM 1276 N LEU A 77 -20.216 -8.504 -7.012 1.00 54.21 N ATOM 1277 CA LEU A 77 -20.755 -7.591 -8.009 1.00 14.03 C ATOM 1278 C LEU A 77 -21.959 -8.254 -8.669 1.00 72.53 C ATOM 1279 O LEU A 77 -21.976 -9.477 -8.822 1.00 54.41 O ATOM 1280 CB LEU A 77 -19.690 -7.260 -9.060 1.00 72.12 C ATOM 1281 CG LEU A 77 -20.165 -6.384 -10.220 1.00 60.33 C ATOM 1282 CD1 LEU A 77 -20.582 -5.008 -9.724 1.00 32.34 C ATOM 1283 CD2 LEU A 77 -19.077 -6.267 -11.275 1.00 4.52 C ATOM 0 H LEU A 77 -19.538 -9.173 -7.377 1.00 54.21 H new ATOM 0 HA LEU A 77 -21.059 -6.659 -7.532 1.00 14.03 H new ATOM 0 HB2 LEU A 77 -18.858 -6.759 -8.565 1.00 72.12 H new ATOM 0 HB3 LEU A 77 -19.302 -8.194 -9.467 1.00 72.12 H new ATOM 0 HG LEU A 77 -21.036 -6.858 -10.672 1.00 60.33 H new ATOM 0 HD11 LEU A 77 -20.916 -4.403 -10.567 1.00 32.34 H new ATOM 0 HD12 LEU A 77 -21.396 -5.111 -9.006 1.00 32.34 H new ATOM 0 HD13 LEU A 77 -19.733 -4.522 -9.243 1.00 32.34 H new ATOM 0 HD21 LEU A 77 -19.430 -5.641 -12.094 1.00 4.52 H new ATOM 0 HD22 LEU A 77 -18.188 -5.818 -10.832 1.00 4.52 H new ATOM 0 HD23 LEU A 77 -18.832 -7.258 -11.656 1.00 4.52 H new ATOM 1295 N LYS A 78 -22.977 -7.478 -9.030 1.00 35.35 N ATOM 1296 CA LYS A 78 -24.132 -8.051 -9.708 1.00 53.51 C ATOM 1297 C LYS A 78 -23.701 -8.577 -11.071 1.00 71.50 C ATOM 1298 O LYS A 78 -23.104 -7.853 -11.869 1.00 42.43 O ATOM 1299 CB LYS A 78 -25.275 -7.042 -9.846 1.00 31.41 C ATOM 1300 CG LYS A 78 -26.581 -7.690 -10.284 1.00 11.22 C ATOM 1301 CD LYS A 78 -27.772 -6.753 -10.139 1.00 73.32 C ATOM 1302 CE LYS A 78 -27.697 -5.571 -11.091 1.00 42.11 C ATOM 1303 NZ LYS A 78 -28.959 -4.785 -11.087 1.00 40.12 N1+ ATOM 0 H LYS A 78 -23.026 -6.472 -8.868 1.00 35.35 H new ATOM 0 HA LYS A 78 -24.515 -8.873 -9.104 1.00 53.51 H new ATOM 0 HB2 LYS A 78 -25.426 -6.538 -8.891 1.00 31.41 H new ATOM 0 HB3 LYS A 78 -24.993 -6.277 -10.569 1.00 31.41 H new ATOM 0 HG2 LYS A 78 -26.496 -8.006 -11.324 1.00 11.22 H new ATOM 0 HG3 LYS A 78 -26.755 -8.588 -9.691 1.00 11.22 H new ATOM 0 HD2 LYS A 78 -28.692 -7.308 -10.324 1.00 73.32 H new ATOM 0 HD3 LYS A 78 -27.821 -6.388 -9.113 1.00 73.32 H new ATOM 0 HE2 LYS A 78 -26.865 -4.926 -10.807 1.00 42.11 H new ATOM 0 HE3 LYS A 78 -27.493 -5.928 -12.100 1.00 42.11 H new ATOM 0 HZ1 LYS A 78 -28.873 -3.986 -11.748 1.00 40.12 H new ATOM 0 HZ2 LYS A 78 -29.748 -5.394 -11.382 1.00 40.12 H new ATOM 0 HZ3 LYS A 78 -29.140 -4.424 -10.129 1.00 40.12 H new ATOM 1317 N GLY A 79 -24.006 -9.839 -11.320 1.00 24.51 N ATOM 1318 CA GLY A 79 -23.398 -10.551 -12.425 1.00 10.33 C ATOM 1319 C GLY A 79 -22.394 -11.546 -11.891 1.00 42.22 C ATOM 1320 O GLY A 79 -21.199 -11.463 -12.169 1.00 5.23 O ATOM 0 H GLY A 79 -24.669 -10.388 -10.773 1.00 24.51 H new ATOM 0 HA2 GLY A 79 -24.164 -11.066 -13.005 1.00 10.33 H new ATOM 0 HA3 GLY A 79 -22.907 -9.848 -13.098 1.00 10.33 H new ATOM 1324 N THR A 80 -22.896 -12.487 -11.109 1.00 22.05 N ATOM 1325 CA THR A 80 -22.057 -13.365 -10.321 1.00 3.14 C ATOM 1326 C THR A 80 -22.704 -14.751 -10.221 1.00 61.33 C ATOM 1327 O THR A 80 -23.585 -15.081 -11.024 1.00 23.23 O ATOM 1328 CB THR A 80 -21.849 -12.742 -8.911 1.00 55.23 C ATOM 1329 OG1 THR A 80 -20.975 -13.538 -8.101 1.00 43.33 O ATOM 1330 CG2 THR A 80 -23.179 -12.566 -8.193 1.00 62.23 C ATOM 0 H THR A 80 -23.896 -12.661 -11.005 1.00 22.05 H new ATOM 0 HA THR A 80 -21.085 -13.480 -10.800 1.00 3.14 H new ATOM 0 HB THR A 80 -21.387 -11.766 -9.063 1.00 55.23 H new ATOM 0 HG1 THR A 80 -20.139 -13.703 -8.586 1.00 43.33 H new ATOM 0 HG21 THR A 80 -23.006 -12.129 -7.210 1.00 62.23 H new ATOM 0 HG22 THR A 80 -23.822 -11.907 -8.775 1.00 62.23 H new ATOM 0 HG23 THR A 80 -23.662 -13.536 -8.079 1.00 62.23 H new ATOM 1338 N SER A 81 -22.254 -15.542 -9.246 1.00 63.33 N ATOM 1339 CA SER A 81 -22.780 -16.876 -8.970 1.00 13.40 C ATOM 1340 C SER A 81 -22.230 -17.911 -9.946 1.00 24.20 C ATOM 1341 O SER A 81 -22.803 -18.162 -11.007 1.00 31.14 O ATOM 1342 CB SER A 81 -24.314 -16.892 -8.965 1.00 65.13 C ATOM 1343 OG SER A 81 -24.826 -15.926 -8.060 1.00 73.03 O ATOM 0 H SER A 81 -21.500 -15.267 -8.616 1.00 63.33 H new ATOM 0 HA SER A 81 -22.442 -17.148 -7.970 1.00 13.40 H new ATOM 0 HB2 SER A 81 -24.687 -16.690 -9.969 1.00 65.13 H new ATOM 0 HB3 SER A 81 -24.671 -17.883 -8.686 1.00 65.13 H new ATOM 0 HG SER A 81 -25.806 -15.952 -8.074 1.00 73.03 H new ATOM 1349 N ASP A 82 -21.102 -18.505 -9.565 1.00 54.54 N ATOM 1350 CA ASP A 82 -20.491 -19.620 -10.302 1.00 34.51 C ATOM 1351 C ASP A 82 -21.340 -20.893 -10.167 1.00 0.05 C ATOM 1352 O ASP A 82 -20.899 -21.989 -10.512 1.00 52.53 O ATOM 1353 CB ASP A 82 -19.064 -19.861 -9.778 1.00 14.33 C ATOM 1354 CG ASP A 82 -18.275 -20.868 -10.600 1.00 12.33 C ATOM 1355 OD1 ASP A 82 -17.953 -20.570 -11.773 1.00 2.10 O ATOM 1356 OD2 ASP A 82 -17.948 -21.952 -10.076 1.00 41.34 O ATOM 0 H ASP A 82 -20.580 -18.229 -8.733 1.00 54.54 H new ATOM 0 HA ASP A 82 -20.444 -19.362 -11.360 1.00 34.51 H new ATOM 0 HB2 ASP A 82 -18.526 -18.913 -9.766 1.00 14.33 H new ATOM 0 HB3 ASP A 82 -19.119 -20.210 -8.747 1.00 14.33 H new ATOM 1361 N ARG A 83 -22.576 -20.713 -9.686 1.00 53.43 N ATOM 1362 CA ARG A 83 -23.510 -21.804 -9.411 1.00 20.21 C ATOM 1363 C ARG A 83 -23.120 -22.507 -8.110 1.00 70.31 C ATOM 1364 O ARG A 83 -22.059 -22.227 -7.548 1.00 4.35 O ATOM 1365 CB ARG A 83 -23.605 -22.796 -10.584 1.00 11.40 C ATOM 1366 CG ARG A 83 -24.423 -22.293 -11.773 1.00 32.43 C ATOM 1367 CD ARG A 83 -23.554 -21.884 -12.961 1.00 41.55 C ATOM 1368 NE ARG A 83 -22.938 -20.566 -12.787 1.00 33.20 N ATOM 1369 CZ ARG A 83 -22.086 -20.012 -13.658 1.00 1.41 C ATOM 1370 NH1 ARG A 83 -21.748 -20.652 -14.769 1.00 32.32 N ATOM 1371 NH2 ARG A 83 -21.575 -18.809 -13.419 1.00 51.13 N ATOM 0 H ARG A 83 -22.958 -19.791 -9.475 1.00 53.43 H new ATOM 0 HA ARG A 83 -24.505 -21.376 -9.292 1.00 20.21 H new ATOM 0 HB2 ARG A 83 -22.597 -23.033 -10.926 1.00 11.40 H new ATOM 0 HB3 ARG A 83 -24.045 -23.725 -10.223 1.00 11.40 H new ATOM 0 HG2 ARG A 83 -25.116 -23.074 -12.087 1.00 32.43 H new ATOM 0 HG3 ARG A 83 -25.025 -21.440 -11.459 1.00 32.43 H new ATOM 0 HD2 ARG A 83 -22.772 -22.629 -13.107 1.00 41.55 H new ATOM 0 HD3 ARG A 83 -24.162 -21.879 -13.866 1.00 41.55 H new ATOM 0 HE ARG A 83 -23.174 -20.036 -11.948 1.00 33.20 H new ATOM 0 HH11 ARG A 83 -22.138 -21.574 -14.965 1.00 32.32 H new ATOM 0 HH12 ARG A 83 -21.098 -20.222 -15.427 1.00 32.32 H new ATOM 0 HH21 ARG A 83 -21.832 -18.305 -12.570 1.00 51.13 H new ATOM 0 HH22 ARG A 83 -20.926 -18.389 -14.084 1.00 51.13 H new ATOM 1385 N THR A 84 -23.984 -23.385 -7.611 1.00 53.43 N ATOM 1386 CA THR A 84 -23.731 -24.046 -6.336 1.00 41.51 C ATOM 1387 C THR A 84 -22.623 -25.090 -6.473 1.00 53.13 C ATOM 1388 O THR A 84 -21.835 -25.275 -5.546 1.00 21.51 O ATOM 1389 CB THR A 84 -25.015 -24.691 -5.748 1.00 0.42 C ATOM 1390 OG1 THR A 84 -24.752 -25.233 -4.449 1.00 12.10 O ATOM 1391 CG2 THR A 84 -25.559 -25.794 -6.644 1.00 30.25 C ATOM 0 H THR A 84 -24.857 -23.653 -8.065 1.00 53.43 H new ATOM 0 HA THR A 84 -23.402 -23.276 -5.638 1.00 41.51 H new ATOM 0 HB THR A 84 -25.764 -23.902 -5.679 1.00 0.42 H new ATOM 0 HG1 THR A 84 -24.122 -25.980 -4.527 1.00 12.10 H new ATOM 0 HG21 THR A 84 -26.457 -26.218 -6.195 1.00 30.25 H new ATOM 0 HG22 THR A 84 -25.803 -25.381 -7.623 1.00 30.25 H new ATOM 0 HG23 THR A 84 -24.807 -26.575 -6.757 1.00 30.25 H new ATOM 1399 N ILE A 85 -22.586 -25.757 -7.640 1.00 2.20 N ATOM 1400 CA ILE A 85 -21.553 -26.746 -8.009 1.00 11.52 C ATOM 1401 C ILE A 85 -21.227 -27.750 -6.893 1.00 72.14 C ATOM 1402 O ILE A 85 -20.170 -28.379 -6.908 1.00 43.15 O ATOM 1403 CB ILE A 85 -20.242 -26.074 -8.512 1.00 74.35 C ATOM 1404 CG1 ILE A 85 -19.607 -25.187 -7.433 1.00 0.32 C ATOM 1405 CG2 ILE A 85 -20.522 -25.265 -9.771 1.00 22.21 C ATOM 1406 CD1 ILE A 85 -18.318 -24.523 -7.862 1.00 23.32 C ATOM 0 H ILE A 85 -23.287 -25.622 -8.369 1.00 2.20 H new ATOM 0 HA ILE A 85 -21.999 -27.308 -8.829 1.00 11.52 H new ATOM 0 HB ILE A 85 -19.528 -26.864 -8.745 1.00 74.35 H new ATOM 0 HG12 ILE A 85 -20.322 -24.417 -7.144 1.00 0.32 H new ATOM 0 HG13 ILE A 85 -19.415 -25.792 -6.547 1.00 0.32 H new ATOM 0 HG21 ILE A 85 -19.599 -24.798 -10.116 1.00 22.21 H new ATOM 0 HG22 ILE A 85 -20.908 -25.924 -10.549 1.00 22.21 H new ATOM 0 HG23 ILE A 85 -21.259 -24.493 -9.551 1.00 22.21 H new ATOM 0 HD11 ILE A 85 -17.933 -23.914 -7.044 1.00 23.32 H new ATOM 0 HD12 ILE A 85 -17.585 -25.286 -8.123 1.00 23.32 H new ATOM 0 HD13 ILE A 85 -18.506 -23.889 -8.729 1.00 23.32 H new ATOM 1418 N SER A 86 -22.145 -27.937 -5.954 1.00 3.42 N ATOM 1419 CA SER A 86 -21.926 -28.871 -4.859 1.00 40.44 C ATOM 1420 C SER A 86 -23.075 -29.862 -4.755 1.00 5.01 C ATOM 1421 O SER A 86 -23.110 -30.702 -3.856 1.00 25.04 O ATOM 1422 CB SER A 86 -21.761 -28.112 -3.544 1.00 14.43 C ATOM 1423 OG SER A 86 -22.840 -27.215 -3.329 1.00 73.12 O ATOM 0 H SER A 86 -23.044 -27.456 -5.929 1.00 3.42 H new ATOM 0 HA SER A 86 -21.012 -29.429 -5.062 1.00 40.44 H new ATOM 0 HB2 SER A 86 -21.703 -28.820 -2.717 1.00 14.43 H new ATOM 0 HB3 SER A 86 -20.822 -27.559 -3.556 1.00 14.43 H new ATOM 0 HG SER A 86 -22.677 -26.696 -2.514 1.00 73.12 H new ATOM 1429 N LYS A 87 -24.009 -29.765 -5.684 1.00 11.13 N ATOM 1430 CA LYS A 87 -25.146 -30.660 -5.706 1.00 24.43 C ATOM 1431 C LYS A 87 -24.964 -31.664 -6.831 1.00 73.45 C ATOM 1432 O LYS A 87 -25.135 -31.272 -8.001 1.00 75.44 O ATOM 1433 CB LYS A 87 -26.444 -29.873 -5.900 1.00 53.21 C ATOM 1434 CG LYS A 87 -27.692 -30.628 -5.460 1.00 23.41 C ATOM 1435 CD LYS A 87 -28.083 -30.286 -4.026 1.00 24.04 C ATOM 1436 CE LYS A 87 -26.964 -30.584 -3.037 1.00 51.15 C ATOM 1437 NZ LYS A 87 -27.309 -30.154 -1.656 1.00 24.11 N1+ ATOM 1438 OXT LYS A 87 -24.613 -32.826 -6.546 1.00 0.00 O ATOM 0 H LYS A 87 -24.000 -29.073 -6.433 1.00 11.13 H new ATOM 0 HA LYS A 87 -25.210 -31.187 -4.754 1.00 24.43 H new ATOM 0 HB2 LYS A 87 -26.379 -28.940 -5.341 1.00 53.21 H new ATOM 0 HB3 LYS A 87 -26.543 -29.608 -6.953 1.00 53.21 H new ATOM 0 HG2 LYS A 87 -28.518 -30.387 -6.129 1.00 23.41 H new ATOM 0 HG3 LYS A 87 -27.517 -31.701 -5.543 1.00 23.41 H new ATOM 0 HD2 LYS A 87 -28.347 -29.230 -3.965 1.00 24.04 H new ATOM 0 HD3 LYS A 87 -28.971 -30.853 -3.748 1.00 24.04 H new ATOM 0 HE2 LYS A 87 -26.752 -31.653 -3.041 1.00 51.15 H new ATOM 0 HE3 LYS A 87 -26.053 -30.078 -3.357 1.00 51.15 H new ATOM 0 HZ1 LYS A 87 -26.520 -30.376 -1.016 1.00 24.11 H new ATOM 0 HZ2 LYS A 87 -27.486 -29.129 -1.645 1.00 24.11 H new ATOM 0 HZ3 LYS A 87 -28.163 -30.656 -1.339 1.00 24.11 H new TER 1452 LYS A 87