USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 639 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 95 ASN : amide:sc= 1.02 K(o=1.3,f=-2.4!) USER MOD Set 1.2: A 96 THR OG1 : rot -77:sc= 0.282 USER MOD Set 2.1: A 52 THR OG1 : rot 98:sc= 0.952 USER MOD Set 2.2: A 54 THR OG1 : rot -178:sc= 0.827 USER MOD Single : A 3 HIS : no HE2:sc= -0.974! C(o=-0.97!,f=-4.6!) USER MOD Single : A 4 MET CE :methyl 158:sc= -0.226 (180deg=-1.06) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 TYR OH : rot 148:sc= 0.368 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -1.77 K(o=-1.8,f=-6.6!) USER MOD Single : A 13 LYS NZ :NH3+ -135:sc= 1.09 (180deg=0.178) USER MOD Single : A 14 THR OG1 : rot -47:sc= 0.0671 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0775 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 154:sc= -0.126 USER MOD Single : A 31 LYS NZ :NH3+ -163:sc= 1.16 (180deg=0.927) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.0394 X(o=-0.039,f=-0.078) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0.119 X(o=0.12,f=0) USER MOD Single : A 40 ASN : amide:sc= 0.873 K(o=0.87,f=-0.029) USER MOD Single : A 47 THR OG1 : rot 180:sc= -1.62! USER MOD Single : A 48 TYR OH : rot 30:sc= -0.0151 USER MOD Single : A 53 LYS NZ :NH3+ -165:sc= -0.0253 (180deg=-0.231) USER MOD Single : A 55 TYR OH : rot 60:sc= 1.08 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 140:sc= -0.0612 (180deg=-0.394) USER MOD Single : A 82 LYS NZ :NH3+ -154:sc= 1.28 (180deg=1.2) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 169:sc= -0.962 USER MOD Single : A 85 SER OG : rot 180:sc= 0.0254 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.00223 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 21 N HIS A 3 -37.777 5.849 -0.748 1.00 0.62 N ATOM 22 CA HIS A 3 -36.548 5.085 -0.591 1.00 0.44 C ATOM 23 C HIS A 3 -35.697 5.176 -1.862 1.00 0.40 C ATOM 24 O HIS A 3 -36.221 5.012 -2.964 1.00 0.53 O ATOM 25 CB HIS A 3 -36.872 3.620 -0.292 1.00 0.55 C ATOM 26 CG HIS A 3 -36.565 3.209 1.115 1.00 1.04 C ATOM 27 ND1 HIS A 3 -36.379 1.897 1.499 1.00 1.55 N ATOM 28 CD2 HIS A 3 -36.400 3.950 2.237 1.00 1.91 C ATOM 29 CE1 HIS A 3 -36.130 1.850 2.794 1.00 2.22 C ATOM 30 NE2 HIS A 3 -36.129 3.082 3.264 1.00 2.50 N ATOM 0 HA HIS A 3 -35.985 5.505 0.243 1.00 0.44 H new ATOM 0 HB2 HIS A 3 -37.929 3.444 -0.490 1.00 0.55 H new ATOM 0 HB3 HIS A 3 -36.309 2.986 -0.977 1.00 0.55 H new ATOM 0 HD1 HIS A 3 -36.427 1.089 0.878 1.00 1.55 H new ATOM 0 HD2 HIS A 3 -36.469 5.025 2.309 1.00 1.91 H new ATOM 0 HE1 HIS A 3 -35.956 0.954 3.371 1.00 2.22 H new ATOM 39 N MET A 4 -34.392 5.415 -1.723 1.00 0.38 N ATOM 40 CA MET A 4 -33.509 5.513 -2.877 1.00 0.41 C ATOM 41 C MET A 4 -32.427 4.437 -2.803 1.00 0.37 C ATOM 42 O MET A 4 -31.976 4.081 -1.711 1.00 0.43 O ATOM 43 CB MET A 4 -32.894 6.919 -2.960 1.00 0.54 C ATOM 44 CG MET A 4 -32.149 7.345 -1.710 1.00 1.29 C ATOM 45 SD MET A 4 -31.563 9.048 -1.815 1.00 1.92 S ATOM 46 CE MET A 4 -33.112 9.930 -2.003 1.00 2.06 C ATOM 0 H MET A 4 -33.928 5.543 -0.824 1.00 0.38 H new ATOM 0 HA MET A 4 -34.089 5.348 -3.785 1.00 0.41 H new ATOM 0 HB2 MET A 4 -32.210 6.955 -3.808 1.00 0.54 H new ATOM 0 HB3 MET A 4 -33.687 7.639 -3.160 1.00 0.54 H new ATOM 0 HG2 MET A 4 -32.804 7.240 -0.845 1.00 1.29 H new ATOM 0 HG3 MET A 4 -31.301 6.680 -1.550 1.00 1.29 H new ATOM 0 HE1 MET A 4 -32.980 10.967 -1.696 1.00 2.06 H new ATOM 0 HE2 MET A 4 -33.425 9.898 -3.047 1.00 2.06 H new ATOM 0 HE3 MET A 4 -33.875 9.462 -1.381 1.00 2.06 H new ATOM 56 N GLN A 5 -32.101 3.849 -3.952 1.00 0.34 N ATOM 57 CA GLN A 5 -31.103 2.787 -4.029 1.00 0.33 C ATOM 58 C GLN A 5 -29.678 3.333 -3.937 1.00 0.29 C ATOM 59 O GLN A 5 -29.382 4.420 -4.428 1.00 0.49 O ATOM 60 CB GLN A 5 -31.271 2.018 -5.345 1.00 0.44 C ATOM 61 CG GLN A 5 -30.240 0.914 -5.553 1.00 0.53 C ATOM 62 CD GLN A 5 -30.321 0.282 -6.931 1.00 1.07 C ATOM 63 OE1 GLN A 5 -31.029 -0.704 -7.137 1.00 1.90 O ATOM 64 NE2 GLN A 5 -29.595 0.845 -7.883 1.00 1.53 N ATOM 0 H GLN A 5 -32.519 4.094 -4.850 1.00 0.34 H new ATOM 0 HA GLN A 5 -31.261 2.122 -3.180 1.00 0.33 H new ATOM 0 HB2 GLN A 5 -32.269 1.580 -5.373 1.00 0.44 H new ATOM 0 HB3 GLN A 5 -31.208 2.721 -6.176 1.00 0.44 H new ATOM 0 HG2 GLN A 5 -29.241 1.324 -5.405 1.00 0.53 H new ATOM 0 HG3 GLN A 5 -30.383 0.143 -4.796 1.00 0.53 H new ATOM 0 HE21 GLN A 5 -29.021 1.661 -7.671 1.00 1.53 H new ATOM 0 HE22 GLN A 5 -29.609 0.463 -8.829 1.00 1.53 H new ATOM 73 N TYR A 6 -28.817 2.563 -3.279 1.00 0.20 N ATOM 74 CA TYR A 6 -27.397 2.874 -3.170 1.00 0.21 C ATOM 75 C TYR A 6 -26.587 1.607 -3.434 1.00 0.23 C ATOM 76 O TYR A 6 -27.002 0.513 -3.042 1.00 0.30 O ATOM 77 CB TYR A 6 -27.051 3.439 -1.778 1.00 0.28 C ATOM 78 CG TYR A 6 -27.354 4.912 -1.617 1.00 0.28 C ATOM 79 CD1 TYR A 6 -26.406 5.873 -1.951 1.00 0.79 C ATOM 80 CD2 TYR A 6 -28.581 5.344 -1.128 1.00 0.78 C ATOM 81 CE1 TYR A 6 -26.674 7.220 -1.801 1.00 0.82 C ATOM 82 CE2 TYR A 6 -28.855 6.690 -0.978 1.00 0.83 C ATOM 83 CZ TYR A 6 -27.898 7.622 -1.315 1.00 0.43 C ATOM 84 OH TYR A 6 -28.170 8.965 -1.165 1.00 0.53 O ATOM 0 H TYR A 6 -29.087 1.701 -2.804 1.00 0.20 H new ATOM 0 HA TYR A 6 -27.150 3.637 -3.909 1.00 0.21 H new ATOM 0 HB2 TYR A 6 -27.605 2.881 -1.023 1.00 0.28 H new ATOM 0 HB3 TYR A 6 -25.991 3.274 -1.584 1.00 0.28 H new ATOM 0 HD1 TYR A 6 -25.445 5.562 -2.334 1.00 0.79 H new ATOM 0 HD2 TYR A 6 -29.333 4.616 -0.861 1.00 0.78 H new ATOM 0 HE1 TYR A 6 -25.927 7.954 -2.064 1.00 0.82 H new ATOM 0 HE2 TYR A 6 -29.814 7.010 -0.599 1.00 0.83 H new ATOM 0 HH TYR A 6 -29.125 9.124 -1.317 1.00 0.53 H new ATOM 94 N LYS A 7 -25.457 1.743 -4.112 1.00 0.26 N ATOM 95 CA LYS A 7 -24.635 0.587 -4.449 1.00 0.30 C ATOM 96 C LYS A 7 -23.384 0.528 -3.595 1.00 0.23 C ATOM 97 O LYS A 7 -22.986 1.514 -2.969 1.00 0.31 O ATOM 98 CB LYS A 7 -24.159 0.620 -5.908 1.00 0.50 C ATOM 99 CG LYS A 7 -25.174 1.099 -6.918 1.00 0.98 C ATOM 100 CD LYS A 7 -24.684 0.835 -8.331 1.00 1.30 C ATOM 101 CE LYS A 7 -25.706 1.275 -9.361 1.00 1.94 C ATOM 102 NZ LYS A 7 -25.310 0.881 -10.738 1.00 2.57 N ATOM 0 H LYS A 7 -25.089 2.636 -4.439 1.00 0.26 H new ATOM 0 HA LYS A 7 -25.273 -0.279 -4.275 1.00 0.30 H new ATOM 0 HB2 LYS A 7 -23.281 1.263 -5.970 1.00 0.50 H new ATOM 0 HB3 LYS A 7 -23.840 -0.383 -6.189 1.00 0.50 H new ATOM 0 HG2 LYS A 7 -26.125 0.591 -6.756 1.00 0.98 H new ATOM 0 HG3 LYS A 7 -25.355 2.165 -6.783 1.00 0.98 H new ATOM 0 HD2 LYS A 7 -23.746 1.364 -8.498 1.00 1.30 H new ATOM 0 HD3 LYS A 7 -24.476 -0.228 -8.453 1.00 1.30 H new ATOM 0 HE2 LYS A 7 -26.675 0.836 -9.122 1.00 1.94 H new ATOM 0 HE3 LYS A 7 -25.826 2.357 -9.314 1.00 1.94 H new ATOM 0 HZ1 LYS A 7 -26.035 1.200 -11.412 1.00 2.57 H new ATOM 0 HZ2 LYS A 7 -24.398 1.321 -10.976 1.00 2.57 H new ATOM 0 HZ3 LYS A 7 -25.220 -0.154 -10.791 1.00 2.57 H new ATOM 116 N LEU A 8 -22.761 -0.635 -3.607 1.00 0.22 N ATOM 117 CA LEU A 8 -21.480 -0.828 -2.948 1.00 0.20 C ATOM 118 C LEU A 8 -20.641 -1.820 -3.732 1.00 0.17 C ATOM 119 O LEU A 8 -21.162 -2.813 -4.244 1.00 0.25 O ATOM 120 CB LEU A 8 -21.653 -1.348 -1.522 1.00 0.28 C ATOM 121 CG LEU A 8 -20.385 -1.359 -0.662 1.00 0.28 C ATOM 122 CD1 LEU A 8 -19.906 0.056 -0.313 1.00 0.30 C ATOM 123 CD2 LEU A 8 -20.651 -2.162 0.586 1.00 0.33 C ATOM 0 H LEU A 8 -23.124 -1.468 -4.070 1.00 0.22 H new ATOM 0 HA LEU A 8 -20.983 0.141 -2.907 1.00 0.20 H new ATOM 0 HB2 LEU A 8 -22.405 -0.738 -1.021 1.00 0.28 H new ATOM 0 HB3 LEU A 8 -22.046 -2.363 -1.570 1.00 0.28 H new ATOM 0 HG LEU A 8 -19.581 -1.820 -1.236 1.00 0.28 H new ATOM 0 HD11 LEU A 8 -19.005 -0.005 0.297 1.00 0.30 H new ATOM 0 HD12 LEU A 8 -19.687 0.602 -1.230 1.00 0.30 H new ATOM 0 HD13 LEU A 8 -20.686 0.577 0.242 1.00 0.30 H new ATOM 0 HD21 LEU A 8 -19.755 -2.177 1.207 1.00 0.33 H new ATOM 0 HD22 LEU A 8 -21.471 -1.708 1.143 1.00 0.33 H new ATOM 0 HD23 LEU A 8 -20.920 -3.182 0.312 1.00 0.33 H new ATOM 135 N ILE A 9 -19.350 -1.542 -3.833 1.00 0.15 N ATOM 136 CA ILE A 9 -18.425 -2.448 -4.492 1.00 0.14 C ATOM 137 C ILE A 9 -17.266 -2.721 -3.550 1.00 0.13 C ATOM 138 O ILE A 9 -16.624 -1.778 -3.074 1.00 0.17 O ATOM 139 CB ILE A 9 -17.876 -1.884 -5.830 1.00 0.20 C ATOM 140 CG1 ILE A 9 -19.027 -1.588 -6.813 1.00 0.26 C ATOM 141 CG2 ILE A 9 -16.888 -2.875 -6.453 1.00 0.26 C ATOM 142 CD1 ILE A 9 -18.569 -0.889 -8.079 1.00 0.62 C ATOM 0 H ILE A 9 -18.919 -0.693 -3.466 1.00 0.15 H new ATOM 0 HA ILE A 9 -18.969 -3.362 -4.732 1.00 0.14 H new ATOM 0 HB ILE A 9 -17.356 -0.949 -5.622 1.00 0.20 H new ATOM 0 HG12 ILE A 9 -19.517 -2.524 -7.080 1.00 0.26 H new ATOM 0 HG13 ILE A 9 -19.772 -0.969 -6.313 1.00 0.26 H new ATOM 0 HG21 ILE A 9 -16.509 -2.470 -7.391 1.00 0.26 H new ATOM 0 HG22 ILE A 9 -16.057 -3.040 -5.767 1.00 0.26 H new ATOM 0 HG23 ILE A 9 -17.394 -3.821 -6.645 1.00 0.26 H new ATOM 0 HD11 ILE A 9 -19.427 -0.710 -8.727 1.00 0.62 H new ATOM 0 HD12 ILE A 9 -18.104 0.063 -7.821 1.00 0.62 H new ATOM 0 HD13 ILE A 9 -17.846 -1.517 -8.600 1.00 0.62 H new ATOM 154 N LEU A 10 -17.056 -3.985 -3.207 1.00 0.12 N ATOM 155 CA LEU A 10 -15.957 -4.336 -2.317 1.00 0.13 C ATOM 156 C LEU A 10 -14.760 -4.761 -3.136 1.00 0.15 C ATOM 157 O LEU A 10 -14.680 -5.906 -3.592 1.00 0.25 O ATOM 158 CB LEU A 10 -16.304 -5.458 -1.311 1.00 0.14 C ATOM 159 CG LEU A 10 -17.543 -5.267 -0.412 1.00 0.16 C ATOM 160 CD1 LEU A 10 -17.696 -3.835 0.048 1.00 0.17 C ATOM 161 CD2 LEU A 10 -18.807 -5.754 -1.108 1.00 0.19 C ATOM 0 H LEU A 10 -17.621 -4.772 -3.525 1.00 0.12 H new ATOM 0 HA LEU A 10 -15.739 -3.443 -1.731 1.00 0.13 H new ATOM 0 HB2 LEU A 10 -16.439 -6.381 -1.874 1.00 0.14 H new ATOM 0 HB3 LEU A 10 -15.440 -5.604 -0.662 1.00 0.14 H new ATOM 0 HG LEU A 10 -17.388 -5.877 0.478 1.00 0.16 H new ATOM 0 HD11 LEU A 10 -18.581 -3.748 0.678 1.00 0.17 H new ATOM 0 HD12 LEU A 10 -16.815 -3.540 0.617 1.00 0.17 H new ATOM 0 HD13 LEU A 10 -17.803 -3.184 -0.819 1.00 0.17 H new ATOM 0 HD21 LEU A 10 -19.664 -5.607 -0.451 1.00 0.19 H new ATOM 0 HD22 LEU A 10 -18.955 -5.190 -2.029 1.00 0.19 H new ATOM 0 HD23 LEU A 10 -18.708 -6.814 -1.343 1.00 0.19 H new ATOM 173 N ASN A 11 -13.868 -3.822 -3.397 1.00 0.15 N ATOM 174 CA ASN A 11 -12.671 -4.137 -4.150 1.00 0.18 C ATOM 175 C ASN A 11 -11.607 -4.620 -3.183 1.00 0.20 C ATOM 176 O ASN A 11 -10.850 -3.820 -2.629 1.00 0.24 O ATOM 177 CB ASN A 11 -12.103 -2.924 -4.920 1.00 0.24 C ATOM 178 CG ASN A 11 -13.116 -2.069 -5.659 1.00 1.01 C ATOM 179 OD1 ASN A 11 -14.255 -1.900 -5.235 1.00 1.96 O ATOM 180 ND2 ASN A 11 -12.687 -1.521 -6.783 1.00 1.33 N ATOM 0 H ASN A 11 -13.949 -2.849 -3.103 1.00 0.15 H new ATOM 0 HA ASN A 11 -12.941 -4.898 -4.883 1.00 0.18 H new ATOM 0 HB2 ASN A 11 -11.568 -2.289 -4.214 1.00 0.24 H new ATOM 0 HB3 ASN A 11 -11.370 -3.287 -5.640 1.00 0.24 H new ATOM 0 HD21 ASN A 11 -13.311 -0.932 -7.334 1.00 1.33 H new ATOM 0 HD22 ASN A 11 -11.732 -1.688 -7.099 1.00 1.33 H new ATOM 187 N GLY A 12 -11.613 -5.908 -2.921 1.00 0.21 N ATOM 188 CA GLY A 12 -10.619 -6.480 -2.036 1.00 0.26 C ATOM 189 C GLY A 12 -9.820 -7.561 -2.718 1.00 0.39 C ATOM 190 O GLY A 12 -9.889 -7.724 -3.935 1.00 0.91 O ATOM 0 H GLY A 12 -12.286 -6.574 -3.302 1.00 0.21 H new ATOM 0 HA2 GLY A 12 -9.947 -5.695 -1.688 1.00 0.26 H new ATOM 0 HA3 GLY A 12 -11.111 -6.892 -1.155 1.00 0.26 H new ATOM 194 N LYS A 13 -8.971 -8.222 -1.961 1.00 0.44 N ATOM 195 CA LYS A 13 -8.168 -9.308 -2.512 1.00 0.56 C ATOM 196 C LYS A 13 -8.819 -10.683 -2.264 1.00 0.66 C ATOM 197 O LYS A 13 -9.117 -11.399 -3.218 1.00 0.89 O ATOM 198 CB LYS A 13 -6.725 -9.228 -1.984 1.00 0.76 C ATOM 199 CG LYS A 13 -6.094 -7.863 -2.240 1.00 1.17 C ATOM 200 CD LYS A 13 -4.626 -7.824 -1.851 1.00 1.63 C ATOM 201 CE LYS A 13 -4.040 -6.427 -2.021 1.00 2.41 C ATOM 202 NZ LYS A 13 -4.568 -5.472 -1.007 1.00 3.26 N ATOM 0 H LYS A 13 -8.815 -8.034 -0.971 1.00 0.44 H new ATOM 0 HA LYS A 13 -8.125 -9.191 -3.595 1.00 0.56 H new ATOM 0 HB2 LYS A 13 -6.719 -9.434 -0.914 1.00 0.76 H new ATOM 0 HB3 LYS A 13 -6.122 -10.001 -2.461 1.00 0.76 H new ATOM 0 HG2 LYS A 13 -6.195 -7.611 -3.296 1.00 1.17 H new ATOM 0 HG3 LYS A 13 -6.637 -7.103 -1.678 1.00 1.17 H new ATOM 0 HD2 LYS A 13 -4.515 -8.143 -0.815 1.00 1.63 H new ATOM 0 HD3 LYS A 13 -4.067 -8.531 -2.464 1.00 1.63 H new ATOM 0 HE2 LYS A 13 -2.954 -6.477 -1.940 1.00 2.41 H new ATOM 0 HE3 LYS A 13 -4.269 -6.057 -3.021 1.00 2.41 H new ATOM 0 HZ1 LYS A 13 -4.824 -4.578 -1.472 1.00 3.26 H new ATOM 0 HZ2 LYS A 13 -5.410 -5.879 -0.552 1.00 3.26 H new ATOM 0 HZ3 LYS A 13 -3.839 -5.291 -0.288 1.00 3.26 H new ATOM 216 N THR A 14 -9.113 -11.037 -1.011 1.00 0.76 N ATOM 217 CA THR A 14 -9.764 -12.316 -0.732 1.00 1.06 C ATOM 218 C THR A 14 -11.268 -12.105 -0.526 1.00 0.93 C ATOM 219 O THR A 14 -12.011 -13.039 -0.218 1.00 1.20 O ATOM 220 CB THR A 14 -9.149 -13.031 0.505 1.00 1.44 C ATOM 221 OG1 THR A 14 -9.445 -14.428 0.442 1.00 1.93 O ATOM 222 CG2 THR A 14 -9.685 -12.484 1.830 1.00 1.86 C ATOM 0 H THR A 14 -8.915 -10.467 -0.188 1.00 0.76 H new ATOM 0 HA THR A 14 -9.600 -12.962 -1.595 1.00 1.06 H new ATOM 0 HB THR A 14 -8.075 -12.850 0.475 1.00 1.44 H new ATOM 0 HG1 THR A 14 -10.395 -14.552 0.238 1.00 1.93 H new ATOM 0 HG21 THR A 14 -9.222 -13.019 2.659 1.00 1.86 H new ATOM 0 HG22 THR A 14 -9.450 -11.422 1.907 1.00 1.86 H new ATOM 0 HG23 THR A 14 -10.766 -12.620 1.869 1.00 1.86 H new ATOM 230 N LEU A 15 -11.704 -10.880 -0.775 1.00 0.64 N ATOM 231 CA LEU A 15 -13.094 -10.497 -0.606 1.00 0.66 C ATOM 232 C LEU A 15 -13.489 -9.552 -1.729 1.00 0.49 C ATOM 233 O LEU A 15 -13.101 -8.386 -1.731 1.00 0.55 O ATOM 234 CB LEU A 15 -13.287 -9.802 0.749 1.00 0.92 C ATOM 235 CG LEU A 15 -14.554 -10.163 1.532 1.00 1.07 C ATOM 236 CD1 LEU A 15 -15.787 -9.998 0.667 1.00 1.80 C ATOM 237 CD2 LEU A 15 -14.459 -11.579 2.082 1.00 1.35 C ATOM 0 H LEU A 15 -11.102 -10.124 -1.100 1.00 0.64 H new ATOM 0 HA LEU A 15 -13.722 -11.387 -0.636 1.00 0.66 H new ATOM 0 HB2 LEU A 15 -12.424 -10.030 1.374 1.00 0.92 H new ATOM 0 HB3 LEU A 15 -13.285 -8.725 0.583 1.00 0.92 H new ATOM 0 HG LEU A 15 -14.642 -9.478 2.375 1.00 1.07 H new ATOM 0 HD11 LEU A 15 -16.674 -10.260 1.244 1.00 1.80 H new ATOM 0 HD12 LEU A 15 -15.863 -8.963 0.335 1.00 1.80 H new ATOM 0 HD13 LEU A 15 -15.713 -10.653 -0.201 1.00 1.80 H new ATOM 0 HD21 LEU A 15 -15.368 -11.816 2.635 1.00 1.35 H new ATOM 0 HD22 LEU A 15 -14.341 -12.282 1.258 1.00 1.35 H new ATOM 0 HD23 LEU A 15 -13.599 -11.654 2.748 1.00 1.35 H new ATOM 249 N LYS A 16 -14.189 -10.076 -2.716 1.00 0.42 N ATOM 250 CA LYS A 16 -14.607 -9.274 -3.851 1.00 0.37 C ATOM 251 C LYS A 16 -16.062 -9.565 -4.186 1.00 0.43 C ATOM 252 O LYS A 16 -16.466 -10.725 -4.279 1.00 0.58 O ATOM 253 CB LYS A 16 -13.722 -9.574 -5.061 1.00 0.45 C ATOM 254 CG LYS A 16 -12.240 -9.362 -4.809 1.00 0.43 C ATOM 255 CD LYS A 16 -11.389 -10.095 -5.809 1.00 1.03 C ATOM 256 CE LYS A 16 -11.725 -11.582 -5.867 1.00 1.81 C ATOM 257 NZ LYS A 16 -11.178 -12.237 -7.087 1.00 2.49 N ATOM 0 H LYS A 16 -14.480 -11.053 -2.756 1.00 0.42 H new ATOM 0 HA LYS A 16 -14.507 -8.220 -3.594 1.00 0.37 H new ATOM 0 HB2 LYS A 16 -13.884 -10.607 -5.369 1.00 0.45 H new ATOM 0 HB3 LYS A 16 -14.033 -8.941 -5.892 1.00 0.45 H new ATOM 0 HG2 LYS A 16 -12.014 -8.297 -4.852 1.00 0.43 H new ATOM 0 HG3 LYS A 16 -11.991 -9.701 -3.803 1.00 0.43 H new ATOM 0 HD2 LYS A 16 -11.528 -9.653 -6.796 1.00 1.03 H new ATOM 0 HD3 LYS A 16 -10.338 -9.971 -5.550 1.00 1.03 H new ATOM 0 HE2 LYS A 16 -11.326 -12.077 -4.982 1.00 1.81 H new ATOM 0 HE3 LYS A 16 -12.807 -11.709 -5.843 1.00 1.81 H new ATOM 0 HZ1 LYS A 16 -11.431 -13.246 -7.083 1.00 2.49 H new ATOM 0 HZ2 LYS A 16 -11.577 -11.783 -7.933 1.00 2.49 H new ATOM 0 HZ3 LYS A 16 -10.143 -12.140 -7.098 1.00 2.49 H new ATOM 271 N GLY A 17 -16.841 -8.511 -4.334 1.00 0.33 N ATOM 272 CA GLY A 17 -18.246 -8.657 -4.626 1.00 0.39 C ATOM 273 C GLY A 17 -18.935 -7.311 -4.691 1.00 0.26 C ATOM 274 O GLY A 17 -18.303 -6.277 -4.461 1.00 0.23 O ATOM 0 H GLY A 17 -16.521 -7.546 -4.256 1.00 0.33 H new ATOM 0 HA2 GLY A 17 -18.370 -9.178 -5.575 1.00 0.39 H new ATOM 0 HA3 GLY A 17 -18.717 -9.273 -3.860 1.00 0.39 H new ATOM 278 N GLU A 18 -20.226 -7.319 -4.987 1.00 0.28 N ATOM 279 CA GLU A 18 -21.007 -6.092 -5.053 1.00 0.23 C ATOM 280 C GLU A 18 -22.343 -6.311 -4.362 1.00 0.29 C ATOM 281 O GLU A 18 -22.761 -7.452 -4.172 1.00 0.49 O ATOM 282 CB GLU A 18 -21.225 -5.663 -6.511 1.00 0.46 C ATOM 283 CG GLU A 18 -19.929 -5.379 -7.262 1.00 0.70 C ATOM 284 CD GLU A 18 -20.130 -5.152 -8.751 1.00 1.17 C ATOM 285 OE1 GLU A 18 -20.709 -4.107 -9.126 1.00 1.69 O ATOM 286 OE2 GLU A 18 -19.724 -6.017 -9.553 1.00 1.69 O ATOM 0 H GLU A 18 -20.758 -8.166 -5.186 1.00 0.28 H new ATOM 0 HA GLU A 18 -20.462 -5.296 -4.547 1.00 0.23 H new ATOM 0 HB2 GLU A 18 -21.774 -6.446 -7.034 1.00 0.46 H new ATOM 0 HB3 GLU A 18 -21.849 -4.770 -6.529 1.00 0.46 H new ATOM 0 HG2 GLU A 18 -19.453 -4.499 -6.829 1.00 0.70 H new ATOM 0 HG3 GLU A 18 -19.244 -6.215 -7.119 1.00 0.70 H new ATOM 293 N THR A 19 -22.981 -5.232 -3.944 1.00 0.22 N ATOM 294 CA THR A 19 -24.265 -5.329 -3.268 1.00 0.32 C ATOM 295 C THR A 19 -25.038 -4.020 -3.400 1.00 0.29 C ATOM 296 O THR A 19 -24.513 -3.030 -3.921 1.00 0.31 O ATOM 297 CB THR A 19 -24.085 -5.707 -1.779 1.00 0.44 C ATOM 298 OG1 THR A 19 -25.354 -6.017 -1.190 1.00 0.58 O ATOM 299 CG2 THR A 19 -23.428 -4.573 -0.997 1.00 0.45 C ATOM 0 H THR A 19 -22.633 -4.280 -4.060 1.00 0.22 H new ATOM 0 HA THR A 19 -24.839 -6.122 -3.747 1.00 0.32 H new ATOM 0 HB THR A 19 -23.437 -6.582 -1.734 1.00 0.44 H new ATOM 0 HG1 THR A 19 -25.228 -6.256 -0.248 1.00 0.58 H new ATOM 0 HG21 THR A 19 -23.315 -4.868 0.046 1.00 0.45 H new ATOM 0 HG22 THR A 19 -22.447 -4.358 -1.422 1.00 0.45 H new ATOM 0 HG23 THR A 19 -24.052 -3.681 -1.056 1.00 0.45 H new ATOM 307 N THR A 20 -26.281 -4.023 -2.943 1.00 0.27 N ATOM 308 CA THR A 20 -27.145 -2.859 -3.042 1.00 0.24 C ATOM 309 C THR A 20 -27.995 -2.711 -1.781 1.00 0.25 C ATOM 310 O THR A 20 -28.393 -3.707 -1.173 1.00 0.31 O ATOM 311 CB THR A 20 -28.078 -2.961 -4.271 1.00 0.30 C ATOM 312 OG1 THR A 20 -28.629 -4.284 -4.376 1.00 0.38 O ATOM 313 CG2 THR A 20 -27.353 -2.614 -5.573 1.00 0.32 C ATOM 0 H THR A 20 -26.717 -4.829 -2.495 1.00 0.27 H new ATOM 0 HA THR A 20 -26.504 -1.985 -3.154 1.00 0.24 H new ATOM 0 HB THR A 20 -28.879 -2.236 -4.122 1.00 0.30 H new ATOM 0 HG1 THR A 20 -29.218 -4.332 -5.157 1.00 0.38 H new ATOM 0 HG21 THR A 20 -28.047 -2.699 -6.409 1.00 0.32 H new ATOM 0 HG22 THR A 20 -26.974 -1.593 -5.518 1.00 0.32 H new ATOM 0 HG23 THR A 20 -26.521 -3.302 -5.721 1.00 0.32 H new ATOM 321 N THR A 21 -28.310 -1.477 -1.409 1.00 0.23 N ATOM 322 CA THR A 21 -29.121 -1.232 -0.223 1.00 0.26 C ATOM 323 C THR A 21 -30.078 -0.075 -0.477 1.00 0.25 C ATOM 324 O THR A 21 -29.885 0.707 -1.413 1.00 0.26 O ATOM 325 CB THR A 21 -28.284 -0.946 1.057 1.00 0.31 C ATOM 326 OG1 THR A 21 -29.103 -1.181 2.210 1.00 0.38 O ATOM 327 CG2 THR A 21 -27.779 0.506 1.103 1.00 0.28 C ATOM 0 H THR A 21 -28.019 -0.636 -1.907 1.00 0.23 H new ATOM 0 HA THR A 21 -29.674 -2.152 -0.036 1.00 0.26 H new ATOM 0 HB THR A 21 -27.418 -1.608 1.044 1.00 0.31 H new ATOM 0 HG1 THR A 21 -28.583 -1.005 3.022 1.00 0.38 H new ATOM 0 HG21 THR A 21 -27.200 0.661 2.013 1.00 0.28 H new ATOM 0 HG22 THR A 21 -27.149 0.700 0.235 1.00 0.28 H new ATOM 0 HG23 THR A 21 -28.630 1.188 1.094 1.00 0.28 H new ATOM 335 N GLU A 22 -31.151 -0.029 0.297 1.00 0.31 N ATOM 336 CA GLU A 22 -32.149 1.019 0.167 1.00 0.36 C ATOM 337 C GLU A 22 -32.175 1.889 1.431 1.00 0.36 C ATOM 338 O GLU A 22 -32.250 1.374 2.550 1.00 0.58 O ATOM 339 CB GLU A 22 -33.532 0.391 -0.086 1.00 0.51 C ATOM 340 CG GLU A 22 -33.849 -0.778 0.834 1.00 1.16 C ATOM 341 CD GLU A 22 -35.207 -1.380 0.549 1.00 1.77 C ATOM 342 OE1 GLU A 22 -35.265 -2.580 0.207 1.00 2.26 O ATOM 343 OE2 GLU A 22 -36.216 -0.656 0.666 1.00 2.24 O ATOM 0 H GLU A 22 -31.353 -0.712 1.027 1.00 0.31 H new ATOM 0 HA GLU A 22 -31.891 1.655 -0.680 1.00 0.36 H new ATOM 0 HB2 GLU A 22 -34.297 1.157 0.037 1.00 0.51 H new ATOM 0 HB3 GLU A 22 -33.584 0.052 -1.121 1.00 0.51 H new ATOM 0 HG2 GLU A 22 -33.083 -1.545 0.721 1.00 1.16 H new ATOM 0 HG3 GLU A 22 -33.813 -0.442 1.870 1.00 1.16 H new ATOM 350 N ALA A 23 -32.119 3.205 1.253 1.00 0.26 N ATOM 351 CA ALA A 23 -32.098 4.131 2.390 1.00 0.28 C ATOM 352 C ALA A 23 -32.662 5.490 1.968 1.00 0.31 C ATOM 353 O ALA A 23 -32.922 5.703 0.787 1.00 0.38 O ATOM 354 CB ALA A 23 -30.665 4.276 2.909 1.00 0.32 C ATOM 0 H ALA A 23 -32.087 3.657 0.339 1.00 0.26 H new ATOM 0 HA ALA A 23 -32.721 3.735 3.192 1.00 0.28 H new ATOM 0 HB1 ALA A 23 -30.652 4.965 3.754 1.00 0.32 H new ATOM 0 HB2 ALA A 23 -30.294 3.302 3.229 1.00 0.32 H new ATOM 0 HB3 ALA A 23 -30.028 4.664 2.114 1.00 0.32 H new ATOM 360 N VAL A 24 -32.962 6.360 2.936 1.00 0.35 N ATOM 361 CA VAL A 24 -33.440 7.708 2.624 1.00 0.45 C ATOM 362 C VAL A 24 -32.346 8.765 2.819 1.00 0.49 C ATOM 363 O VAL A 24 -32.566 9.944 2.549 1.00 0.74 O ATOM 364 CB VAL A 24 -34.660 8.090 3.491 1.00 0.56 C ATOM 365 CG1 VAL A 24 -35.870 7.256 3.106 1.00 1.05 C ATOM 366 CG2 VAL A 24 -34.340 7.917 4.972 1.00 1.09 C ATOM 0 H VAL A 24 -32.883 6.157 3.933 1.00 0.35 H new ATOM 0 HA VAL A 24 -33.731 7.690 1.574 1.00 0.45 H new ATOM 0 HB VAL A 24 -34.894 9.139 3.311 1.00 0.56 H new ATOM 0 HG11 VAL A 24 -36.720 7.539 3.727 1.00 1.05 H new ATOM 0 HG12 VAL A 24 -36.113 7.430 2.058 1.00 1.05 H new ATOM 0 HG13 VAL A 24 -35.647 6.200 3.256 1.00 1.05 H new ATOM 0 HG21 VAL A 24 -35.211 8.191 5.567 1.00 1.09 H new ATOM 0 HG22 VAL A 24 -34.079 6.877 5.169 1.00 1.09 H new ATOM 0 HG23 VAL A 24 -33.501 8.559 5.240 1.00 1.09 H new ATOM 376 N ASP A 25 -31.169 8.342 3.278 1.00 0.39 N ATOM 377 CA ASP A 25 -30.067 9.270 3.514 1.00 0.45 C ATOM 378 C ASP A 25 -28.802 8.719 2.895 1.00 0.39 C ATOM 379 O ASP A 25 -28.667 7.505 2.731 1.00 0.35 O ATOM 380 CB ASP A 25 -29.790 9.480 5.011 1.00 0.54 C ATOM 381 CG ASP A 25 -31.021 9.733 5.847 1.00 1.25 C ATOM 382 OD1 ASP A 25 -31.571 10.850 5.753 1.00 1.51 O ATOM 383 OD2 ASP A 25 -31.458 8.813 6.565 1.00 2.13 O ATOM 0 H ASP A 25 -30.956 7.368 3.493 1.00 0.39 H new ATOM 0 HA ASP A 25 -30.356 10.222 3.069 1.00 0.45 H new ATOM 0 HB2 ASP A 25 -29.277 8.600 5.399 1.00 0.54 H new ATOM 0 HB3 ASP A 25 -29.109 10.323 5.127 1.00 0.54 H new ATOM 388 N ALA A 26 -27.856 9.593 2.589 1.00 0.44 N ATOM 389 CA ALA A 26 -26.576 9.157 2.059 1.00 0.46 C ATOM 390 C ALA A 26 -25.674 8.695 3.199 1.00 0.38 C ATOM 391 O ALA A 26 -24.991 7.676 3.091 1.00 0.37 O ATOM 392 CB ALA A 26 -25.913 10.274 1.266 1.00 0.59 C ATOM 0 H ALA A 26 -27.950 10.603 2.698 1.00 0.44 H new ATOM 0 HA ALA A 26 -26.743 8.319 1.382 1.00 0.46 H new ATOM 0 HB1 ALA A 26 -24.956 9.926 0.878 1.00 0.59 H new ATOM 0 HB2 ALA A 26 -26.558 10.563 0.436 1.00 0.59 H new ATOM 0 HB3 ALA A 26 -25.750 11.134 1.915 1.00 0.59 H new ATOM 398 N ALA A 27 -25.711 9.433 4.303 1.00 0.39 N ATOM 399 CA ALA A 27 -24.925 9.104 5.486 1.00 0.38 C ATOM 400 C ALA A 27 -25.349 7.759 6.067 1.00 0.31 C ATOM 401 O ALA A 27 -24.511 6.971 6.504 1.00 0.32 O ATOM 402 CB ALA A 27 -25.060 10.200 6.535 1.00 0.48 C ATOM 0 H ALA A 27 -26.283 10.271 4.403 1.00 0.39 H new ATOM 0 HA ALA A 27 -23.879 9.031 5.188 1.00 0.38 H new ATOM 0 HB1 ALA A 27 -24.467 9.939 7.412 1.00 0.48 H new ATOM 0 HB2 ALA A 27 -24.703 11.144 6.123 1.00 0.48 H new ATOM 0 HB3 ALA A 27 -26.107 10.302 6.822 1.00 0.48 H new ATOM 408 N THR A 28 -26.651 7.494 6.040 1.00 0.31 N ATOM 409 CA THR A 28 -27.186 6.233 6.547 1.00 0.30 C ATOM 410 C THR A 28 -26.748 5.067 5.661 1.00 0.24 C ATOM 411 O THR A 28 -26.449 3.980 6.155 1.00 0.28 O ATOM 412 CB THR A 28 -28.729 6.260 6.630 1.00 0.36 C ATOM 413 OG1 THR A 28 -29.161 7.465 7.278 1.00 0.46 O ATOM 414 CG2 THR A 28 -29.254 5.055 7.405 1.00 0.45 C ATOM 0 H THR A 28 -27.355 8.134 5.673 1.00 0.31 H new ATOM 0 HA THR A 28 -26.788 6.097 7.553 1.00 0.30 H new ATOM 0 HB THR A 28 -29.125 6.223 5.615 1.00 0.36 H new ATOM 0 HG1 THR A 28 -30.068 7.688 6.983 1.00 0.46 H new ATOM 0 HG21 THR A 28 -30.342 5.097 7.449 1.00 0.45 H new ATOM 0 HG22 THR A 28 -28.946 4.138 6.903 1.00 0.45 H new ATOM 0 HG23 THR A 28 -28.849 5.068 8.417 1.00 0.45 H new ATOM 422 N ALA A 29 -26.591 5.334 4.363 1.00 0.21 N ATOM 423 CA ALA A 29 -26.193 4.295 3.420 1.00 0.22 C ATOM 424 C ALA A 29 -24.755 3.909 3.685 1.00 0.21 C ATOM 425 O ALA A 29 -24.362 2.748 3.563 1.00 0.25 O ATOM 426 CB ALA A 29 -26.363 4.781 1.991 1.00 0.28 C ATOM 0 H ALA A 29 -26.733 6.254 3.946 1.00 0.21 H new ATOM 0 HA ALA A 29 -26.830 3.421 3.554 1.00 0.22 H new ATOM 0 HB1 ALA A 29 -26.061 3.993 1.301 1.00 0.28 H new ATOM 0 HB2 ALA A 29 -27.408 5.037 1.816 1.00 0.28 H new ATOM 0 HB3 ALA A 29 -25.742 5.662 1.830 1.00 0.28 H new ATOM 432 N GLU A 30 -23.988 4.906 4.086 1.00 0.19 N ATOM 433 CA GLU A 30 -22.608 4.718 4.453 1.00 0.20 C ATOM 434 C GLU A 30 -22.529 3.843 5.699 1.00 0.20 C ATOM 435 O GLU A 30 -22.048 2.714 5.655 1.00 0.23 O ATOM 436 CB GLU A 30 -21.979 6.069 4.759 1.00 0.24 C ATOM 437 CG GLU A 30 -20.468 6.042 4.769 1.00 0.35 C ATOM 438 CD GLU A 30 -19.895 7.145 5.621 1.00 0.50 C ATOM 439 OE1 GLU A 30 -19.704 8.263 5.113 1.00 1.14 O ATOM 440 OE2 GLU A 30 -19.650 6.895 6.820 1.00 1.29 O ATOM 0 H GLU A 30 -24.312 5.870 4.165 1.00 0.19 H new ATOM 0 HA GLU A 30 -22.077 4.239 3.630 1.00 0.20 H new ATOM 0 HB2 GLU A 30 -22.317 6.794 4.019 1.00 0.24 H new ATOM 0 HB3 GLU A 30 -22.335 6.415 5.729 1.00 0.24 H new ATOM 0 HG2 GLU A 30 -20.124 5.078 5.143 1.00 0.35 H new ATOM 0 HG3 GLU A 30 -20.096 6.140 3.749 1.00 0.35 H new ATOM 447 N LYS A 31 -23.097 4.363 6.785 1.00 0.20 N ATOM 448 CA LYS A 31 -23.072 3.716 8.094 1.00 0.24 C ATOM 449 C LYS A 31 -23.522 2.249 8.059 1.00 0.22 C ATOM 450 O LYS A 31 -22.884 1.391 8.674 1.00 0.26 O ATOM 451 CB LYS A 31 -23.908 4.524 9.086 1.00 0.29 C ATOM 452 CG LYS A 31 -23.322 5.901 9.368 1.00 0.39 C ATOM 453 CD LYS A 31 -21.908 5.805 9.924 1.00 1.10 C ATOM 454 CE LYS A 31 -21.284 7.181 10.126 1.00 1.86 C ATOM 455 NZ LYS A 31 -20.981 7.867 8.837 1.00 2.42 N ATOM 0 H LYS A 31 -23.593 5.255 6.780 1.00 0.20 H new ATOM 0 HA LYS A 31 -22.033 3.697 8.421 1.00 0.24 H new ATOM 0 HB2 LYS A 31 -24.919 4.638 8.694 1.00 0.29 H new ATOM 0 HB3 LYS A 31 -23.989 3.970 10.021 1.00 0.29 H new ATOM 0 HG2 LYS A 31 -23.313 6.488 8.450 1.00 0.39 H new ATOM 0 HG3 LYS A 31 -23.958 6.429 10.078 1.00 0.39 H new ATOM 0 HD2 LYS A 31 -21.927 5.271 10.874 1.00 1.10 H new ATOM 0 HD3 LYS A 31 -21.289 5.222 9.243 1.00 1.10 H new ATOM 0 HE2 LYS A 31 -21.962 7.801 10.713 1.00 1.86 H new ATOM 0 HE3 LYS A 31 -20.365 7.078 10.704 1.00 1.86 H new ATOM 0 HZ1 LYS A 31 -20.313 8.646 9.007 1.00 2.42 H new ATOM 0 HZ2 LYS A 31 -20.559 7.187 8.173 1.00 2.42 H new ATOM 0 HZ3 LYS A 31 -21.860 8.247 8.431 1.00 2.42 H new ATOM 469 N VAL A 32 -24.585 1.953 7.322 1.00 0.20 N ATOM 470 CA VAL A 32 -25.086 0.583 7.218 1.00 0.22 C ATOM 471 C VAL A 32 -24.086 -0.317 6.494 1.00 0.18 C ATOM 472 O VAL A 32 -23.775 -1.420 6.952 1.00 0.20 O ATOM 473 CB VAL A 32 -26.449 0.539 6.492 1.00 0.25 C ATOM 474 CG1 VAL A 32 -26.883 -0.892 6.226 1.00 0.30 C ATOM 475 CG2 VAL A 32 -27.511 1.256 7.309 1.00 0.29 C ATOM 0 H VAL A 32 -25.118 2.639 6.788 1.00 0.20 H new ATOM 0 HA VAL A 32 -25.220 0.211 8.234 1.00 0.22 H new ATOM 0 HB VAL A 32 -26.331 1.047 5.535 1.00 0.25 H new ATOM 0 HG11 VAL A 32 -27.845 -0.891 5.714 1.00 0.30 H new ATOM 0 HG12 VAL A 32 -26.140 -1.387 5.601 1.00 0.30 H new ATOM 0 HG13 VAL A 32 -26.976 -1.426 7.172 1.00 0.30 H new ATOM 0 HG21 VAL A 32 -28.464 1.215 6.782 1.00 0.29 H new ATOM 0 HG22 VAL A 32 -27.612 0.771 8.280 1.00 0.29 H new ATOM 0 HG23 VAL A 32 -27.220 2.297 7.451 1.00 0.29 H new ATOM 485 N PHE A 33 -23.535 0.179 5.400 1.00 0.16 N ATOM 486 CA PHE A 33 -22.579 -0.591 4.617 1.00 0.15 C ATOM 487 C PHE A 33 -21.222 -0.697 5.318 1.00 0.15 C ATOM 488 O PHE A 33 -20.451 -1.610 5.033 1.00 0.17 O ATOM 489 CB PHE A 33 -22.383 0.011 3.224 1.00 0.17 C ATOM 490 CG PHE A 33 -23.348 -0.475 2.177 1.00 0.17 C ATOM 491 CD1 PHE A 33 -23.872 -1.755 2.227 1.00 1.09 C ATOM 492 CD2 PHE A 33 -23.705 0.348 1.118 1.00 1.01 C ATOM 493 CE1 PHE A 33 -24.733 -2.209 1.245 1.00 1.11 C ATOM 494 CE2 PHE A 33 -24.566 -0.098 0.132 1.00 1.02 C ATOM 495 CZ PHE A 33 -25.080 -1.380 0.195 1.00 0.29 C ATOM 0 H PHE A 33 -23.731 1.110 5.032 1.00 0.16 H new ATOM 0 HA PHE A 33 -22.999 -1.592 4.517 1.00 0.15 H new ATOM 0 HB2 PHE A 33 -22.468 1.095 3.299 1.00 0.17 H new ATOM 0 HB3 PHE A 33 -21.369 -0.207 2.890 1.00 0.17 H new ATOM 0 HD1 PHE A 33 -23.605 -2.408 3.044 1.00 1.09 H new ATOM 0 HD2 PHE A 33 -23.305 1.350 1.063 1.00 1.01 H new ATOM 0 HE1 PHE A 33 -25.134 -3.210 1.298 1.00 1.11 H new ATOM 0 HE2 PHE A 33 -24.836 0.554 -0.686 1.00 1.02 H new ATOM 0 HZ PHE A 33 -25.751 -1.733 -0.574 1.00 0.29 H new ATOM 505 N LYS A 34 -20.927 0.218 6.236 1.00 0.16 N ATOM 506 CA LYS A 34 -19.665 0.176 6.957 1.00 0.20 C ATOM 507 C LYS A 34 -19.653 -1.034 7.877 1.00 0.20 C ATOM 508 O LYS A 34 -18.659 -1.745 7.969 1.00 0.22 O ATOM 509 CB LYS A 34 -19.451 1.461 7.771 1.00 0.29 C ATOM 510 CG LYS A 34 -19.417 2.713 6.961 1.00 0.43 C ATOM 511 CD LYS A 34 -18.373 3.622 7.548 1.00 0.38 C ATOM 512 CE LYS A 34 -16.972 3.133 7.227 1.00 0.46 C ATOM 513 NZ LYS A 34 -15.938 4.041 7.791 1.00 1.09 N ATOM 0 H LYS A 34 -21.541 0.991 6.495 1.00 0.16 H new ATOM 0 HA LYS A 34 -18.852 0.098 6.236 1.00 0.20 H new ATOM 0 HB2 LYS A 34 -20.248 1.544 8.510 1.00 0.29 H new ATOM 0 HB3 LYS A 34 -18.514 1.375 8.321 1.00 0.29 H new ATOM 0 HG2 LYS A 34 -19.183 2.487 5.921 1.00 0.43 H new ATOM 0 HG3 LYS A 34 -20.393 3.199 6.970 1.00 0.43 H new ATOM 0 HD2 LYS A 34 -18.506 4.631 7.159 1.00 0.38 H new ATOM 0 HD3 LYS A 34 -18.502 3.678 8.629 1.00 0.38 H new ATOM 0 HE2 LYS A 34 -16.835 2.129 7.628 1.00 0.46 H new ATOM 0 HE3 LYS A 34 -16.848 3.064 6.146 1.00 0.46 H new ATOM 0 HZ1 LYS A 34 -14.992 3.679 7.554 1.00 1.09 H new ATOM 0 HZ2 LYS A 34 -16.055 4.993 7.389 1.00 1.09 H new ATOM 0 HZ3 LYS A 34 -16.043 4.087 8.825 1.00 1.09 H new ATOM 527 N GLN A 35 -20.790 -1.282 8.516 1.00 0.21 N ATOM 528 CA GLN A 35 -20.958 -2.443 9.381 1.00 0.24 C ATOM 529 C GLN A 35 -20.956 -3.709 8.527 1.00 0.21 C ATOM 530 O GLN A 35 -20.480 -4.765 8.948 1.00 0.24 O ATOM 531 CB GLN A 35 -22.268 -2.325 10.169 1.00 0.32 C ATOM 532 CG GLN A 35 -22.454 -3.390 11.238 1.00 0.43 C ATOM 533 CD GLN A 35 -21.442 -3.270 12.360 1.00 1.28 C ATOM 534 OE1 GLN A 35 -21.651 -2.524 13.317 1.00 2.20 O ATOM 535 NE2 GLN A 35 -20.354 -4.019 12.268 1.00 1.82 N ATOM 0 H GLN A 35 -21.617 -0.688 8.450 1.00 0.21 H new ATOM 0 HA GLN A 35 -20.135 -2.493 10.094 1.00 0.24 H new ATOM 0 HB2 GLN A 35 -22.307 -1.343 10.640 1.00 0.32 H new ATOM 0 HB3 GLN A 35 -23.104 -2.377 9.471 1.00 0.32 H new ATOM 0 HG2 GLN A 35 -23.460 -3.314 11.651 1.00 0.43 H new ATOM 0 HG3 GLN A 35 -22.370 -4.376 10.782 1.00 0.43 H new ATOM 0 HE21 GLN A 35 -20.218 -4.624 11.458 1.00 1.82 H new ATOM 0 HE22 GLN A 35 -19.651 -3.991 13.007 1.00 1.82 H new ATOM 544 N TYR A 36 -21.436 -3.569 7.301 1.00 0.19 N ATOM 545 CA TYR A 36 -21.474 -4.664 6.348 1.00 0.18 C ATOM 546 C TYR A 36 -20.052 -5.030 5.905 1.00 0.17 C ATOM 547 O TYR A 36 -19.641 -6.192 5.957 1.00 0.19 O ATOM 548 CB TYR A 36 -22.329 -4.251 5.141 1.00 0.19 C ATOM 549 CG TYR A 36 -22.201 -5.166 3.949 1.00 0.21 C ATOM 550 CD1 TYR A 36 -22.958 -6.321 3.883 1.00 1.21 C ATOM 551 CD2 TYR A 36 -21.334 -4.881 2.903 1.00 1.11 C ATOM 552 CE1 TYR A 36 -22.868 -7.173 2.805 1.00 1.24 C ATOM 553 CE2 TYR A 36 -21.236 -5.726 1.816 1.00 1.12 C ATOM 554 CZ TYR A 36 -21.925 -6.826 1.743 1.00 0.34 C ATOM 555 OH TYR A 36 -21.916 -7.713 0.686 1.00 0.42 O ATOM 0 H TYR A 36 -21.810 -2.692 6.940 1.00 0.19 H new ATOM 0 HA TYR A 36 -21.918 -5.542 6.817 1.00 0.18 H new ATOM 0 HB2 TYR A 36 -23.375 -4.215 5.446 1.00 0.19 H new ATOM 0 HB3 TYR A 36 -22.050 -3.241 4.841 1.00 0.19 H new ATOM 0 HD1 TYR A 36 -23.633 -6.559 4.692 1.00 1.21 H new ATOM 0 HD2 TYR A 36 -20.729 -3.987 2.940 1.00 1.11 H new ATOM 0 HE1 TYR A 36 -23.473 -8.066 2.746 1.00 1.24 H new ATOM 0 HE2 TYR A 36 -20.570 -5.467 1.006 1.00 1.12 H new ATOM 0 HH TYR A 36 -21.265 -7.417 0.016 1.00 0.42 H new ATOM 565 N ALA A 37 -19.297 -4.018 5.498 1.00 0.15 N ATOM 566 CA ALA A 37 -17.925 -4.204 5.043 1.00 0.16 C ATOM 567 C ALA A 37 -17.026 -4.609 6.215 1.00 0.18 C ATOM 568 O ALA A 37 -16.090 -5.395 6.056 1.00 0.22 O ATOM 569 CB ALA A 37 -17.418 -2.922 4.401 1.00 0.17 C ATOM 0 H ALA A 37 -19.616 -3.050 5.474 1.00 0.15 H new ATOM 0 HA ALA A 37 -17.901 -5.003 4.302 1.00 0.16 H new ATOM 0 HB1 ALA A 37 -16.392 -3.066 4.062 1.00 0.17 H new ATOM 0 HB2 ALA A 37 -18.049 -2.667 3.549 1.00 0.17 H new ATOM 0 HB3 ALA A 37 -17.449 -2.113 5.130 1.00 0.17 H new ATOM 575 N ASN A 38 -17.346 -4.068 7.391 1.00 0.20 N ATOM 576 CA ASN A 38 -16.609 -4.350 8.639 1.00 0.26 C ATOM 577 C ASN A 38 -16.476 -5.847 8.890 1.00 0.28 C ATOM 578 O ASN A 38 -15.371 -6.357 9.089 1.00 0.36 O ATOM 579 CB ASN A 38 -17.321 -3.706 9.850 1.00 0.31 C ATOM 580 CG ASN A 38 -16.725 -4.142 11.193 1.00 0.44 C ATOM 581 OD1 ASN A 38 -15.776 -3.537 11.693 1.00 1.03 O ATOM 582 ND2 ASN A 38 -17.293 -5.186 11.796 1.00 1.39 N ATOM 0 H ASN A 38 -18.124 -3.420 7.513 1.00 0.20 H new ATOM 0 HA ASN A 38 -15.613 -3.922 8.521 1.00 0.26 H new ATOM 0 HB2 ASN A 38 -17.260 -2.621 9.766 1.00 0.31 H new ATOM 0 HB3 ASN A 38 -18.379 -3.969 9.825 1.00 0.31 H new ATOM 0 HD21 ASN A 38 -16.943 -5.506 12.699 1.00 1.39 H new ATOM 0 HD22 ASN A 38 -18.078 -5.665 11.354 1.00 1.39 H new ATOM 589 N ASP A 39 -17.599 -6.549 8.842 1.00 0.30 N ATOM 590 CA ASP A 39 -17.628 -7.982 9.130 1.00 0.38 C ATOM 591 C ASP A 39 -16.968 -8.797 8.024 1.00 0.33 C ATOM 592 O ASP A 39 -16.827 -10.017 8.136 1.00 0.41 O ATOM 593 CB ASP A 39 -19.069 -8.444 9.364 1.00 0.53 C ATOM 594 CG ASP A 39 -19.602 -7.989 10.710 1.00 1.14 C ATOM 595 OD1 ASP A 39 -19.861 -6.780 10.871 1.00 1.78 O ATOM 596 OD2 ASP A 39 -19.784 -8.842 11.606 1.00 1.77 O ATOM 0 H ASP A 39 -18.508 -6.150 8.606 1.00 0.30 H new ATOM 0 HA ASP A 39 -17.051 -8.152 10.039 1.00 0.38 H new ATOM 0 HB2 ASP A 39 -19.708 -8.055 8.571 1.00 0.53 H new ATOM 0 HB3 ASP A 39 -19.115 -9.531 9.305 1.00 0.53 H new ATOM 601 N ASN A 40 -16.574 -8.125 6.952 1.00 0.28 N ATOM 602 CA ASN A 40 -15.883 -8.777 5.859 1.00 0.34 C ATOM 603 C ASN A 40 -14.415 -8.358 5.833 1.00 0.32 C ATOM 604 O ASN A 40 -13.649 -8.780 4.968 1.00 0.46 O ATOM 605 CB ASN A 40 -16.566 -8.450 4.532 1.00 0.42 C ATOM 606 CG ASN A 40 -17.852 -9.243 4.334 1.00 0.92 C ATOM 607 OD1 ASN A 40 -17.819 -10.379 3.866 1.00 1.78 O ATOM 608 ND2 ASN A 40 -18.992 -8.651 4.665 1.00 0.78 N ATOM 0 H ASN A 40 -16.724 -7.125 6.820 1.00 0.28 H new ATOM 0 HA ASN A 40 -15.926 -9.856 6.009 1.00 0.34 H new ATOM 0 HB2 ASN A 40 -16.789 -7.384 4.494 1.00 0.42 H new ATOM 0 HB3 ASN A 40 -15.881 -8.662 3.711 1.00 0.42 H new ATOM 0 HD21 ASN A 40 -19.877 -9.140 4.533 1.00 0.78 H new ATOM 0 HD22 ASN A 40 -18.983 -7.707 5.051 1.00 0.78 H new ATOM 615 N GLY A 41 -14.027 -7.555 6.822 1.00 0.25 N ATOM 616 CA GLY A 41 -12.656 -7.100 6.926 1.00 0.33 C ATOM 617 C GLY A 41 -12.273 -6.127 5.833 1.00 0.28 C ATOM 618 O GLY A 41 -11.093 -5.978 5.519 1.00 0.37 O ATOM 0 H GLY A 41 -14.645 -7.211 7.557 1.00 0.25 H new ATOM 0 HA2 GLY A 41 -12.509 -6.625 7.896 1.00 0.33 H new ATOM 0 HA3 GLY A 41 -11.989 -7.961 6.889 1.00 0.33 H new ATOM 622 N VAL A 42 -13.256 -5.447 5.258 1.00 0.23 N ATOM 623 CA VAL A 42 -12.989 -4.515 4.191 1.00 0.26 C ATOM 624 C VAL A 42 -13.234 -3.078 4.625 1.00 0.36 C ATOM 625 O VAL A 42 -14.340 -2.707 5.017 1.00 0.46 O ATOM 626 CB VAL A 42 -13.841 -4.824 2.946 1.00 0.28 C ATOM 627 CG1 VAL A 42 -13.528 -3.831 1.841 1.00 0.35 C ATOM 628 CG2 VAL A 42 -13.595 -6.247 2.475 1.00 0.29 C ATOM 0 H VAL A 42 -14.239 -5.528 5.517 1.00 0.23 H new ATOM 0 HA VAL A 42 -11.935 -4.629 3.937 1.00 0.26 H new ATOM 0 HB VAL A 42 -14.895 -4.730 3.208 1.00 0.28 H new ATOM 0 HG11 VAL A 42 -14.136 -4.058 0.965 1.00 0.35 H new ATOM 0 HG12 VAL A 42 -13.751 -2.821 2.185 1.00 0.35 H new ATOM 0 HG13 VAL A 42 -12.472 -3.900 1.578 1.00 0.35 H new ATOM 0 HG21 VAL A 42 -14.205 -6.449 1.594 1.00 0.29 H new ATOM 0 HG22 VAL A 42 -12.542 -6.370 2.223 1.00 0.29 H new ATOM 0 HG23 VAL A 42 -13.862 -6.944 3.269 1.00 0.29 H new ATOM 638 N ASP A 43 -12.174 -2.301 4.582 1.00 0.42 N ATOM 639 CA ASP A 43 -12.230 -0.876 4.852 1.00 0.55 C ATOM 640 C ASP A 43 -11.174 -0.210 3.985 1.00 0.47 C ATOM 641 O ASP A 43 -10.113 -0.789 3.755 1.00 0.68 O ATOM 642 CB ASP A 43 -11.990 -0.568 6.338 1.00 0.80 C ATOM 643 CG ASP A 43 -12.408 0.847 6.705 1.00 1.29 C ATOM 644 OD1 ASP A 43 -11.693 1.799 6.328 1.00 1.86 O ATOM 645 OD2 ASP A 43 -13.442 1.018 7.382 1.00 1.80 O ATOM 0 H ASP A 43 -11.239 -2.641 4.357 1.00 0.42 H new ATOM 0 HA ASP A 43 -13.223 -0.493 4.617 1.00 0.55 H new ATOM 0 HB2 ASP A 43 -12.545 -1.279 6.949 1.00 0.80 H new ATOM 0 HB3 ASP A 43 -10.934 -0.705 6.570 1.00 0.80 H new ATOM 650 N GLY A 44 -11.468 0.962 3.461 1.00 0.43 N ATOM 651 CA GLY A 44 -10.553 1.596 2.543 1.00 0.37 C ATOM 652 C GLY A 44 -10.980 3.005 2.210 1.00 0.34 C ATOM 653 O GLY A 44 -11.867 3.547 2.862 1.00 0.38 O ATOM 0 H GLY A 44 -12.321 1.486 3.653 1.00 0.43 H new ATOM 0 HA2 GLY A 44 -9.554 1.612 2.979 1.00 0.37 H new ATOM 0 HA3 GLY A 44 -10.492 1.009 1.627 1.00 0.37 H new ATOM 657 N GLU A 45 -10.316 3.615 1.236 1.00 0.34 N ATOM 658 CA GLU A 45 -10.675 4.957 0.789 1.00 0.35 C ATOM 659 C GLU A 45 -12.105 4.949 0.260 1.00 0.29 C ATOM 660 O GLU A 45 -12.379 4.406 -0.815 1.00 0.43 O ATOM 661 CB GLU A 45 -9.701 5.436 -0.295 1.00 0.45 C ATOM 662 CG GLU A 45 -9.929 6.878 -0.730 1.00 1.27 C ATOM 663 CD GLU A 45 -8.865 7.388 -1.685 1.00 2.01 C ATOM 664 OE1 GLU A 45 -8.972 7.105 -2.895 1.00 2.79 O ATOM 665 OE2 GLU A 45 -7.914 8.060 -1.229 1.00 2.57 O ATOM 0 H GLU A 45 -9.526 3.203 0.740 1.00 0.34 H new ATOM 0 HA GLU A 45 -10.611 5.647 1.631 1.00 0.35 H new ATOM 0 HB2 GLU A 45 -8.681 5.335 0.075 1.00 0.45 H new ATOM 0 HB3 GLU A 45 -9.791 4.785 -1.165 1.00 0.45 H new ATOM 0 HG2 GLU A 45 -10.905 6.957 -1.208 1.00 1.27 H new ATOM 0 HG3 GLU A 45 -9.953 7.518 0.152 1.00 1.27 H new ATOM 672 N TRP A 46 -13.020 5.479 1.061 1.00 0.22 N ATOM 673 CA TRP A 46 -14.411 5.510 0.729 1.00 0.24 C ATOM 674 C TRP A 46 -14.706 6.579 -0.318 1.00 0.28 C ATOM 675 O TRP A 46 -14.749 7.772 -0.017 1.00 0.41 O ATOM 676 CB TRP A 46 -15.190 5.758 2.014 1.00 0.31 C ATOM 677 CG TRP A 46 -15.607 4.488 2.706 1.00 0.29 C ATOM 678 CD1 TRP A 46 -14.788 3.641 3.392 1.00 0.32 C ATOM 679 CD2 TRP A 46 -16.926 3.912 2.782 1.00 0.28 C ATOM 680 NE1 TRP A 46 -15.501 2.575 3.873 1.00 0.34 N ATOM 681 CE2 TRP A 46 -16.809 2.716 3.516 1.00 0.31 C ATOM 682 CE3 TRP A 46 -18.192 4.279 2.302 1.00 0.29 C ATOM 683 CZ2 TRP A 46 -17.894 1.891 3.782 1.00 0.35 C ATOM 684 CZ3 TRP A 46 -19.271 3.452 2.572 1.00 0.32 C ATOM 685 CH2 TRP A 46 -19.113 2.273 3.306 1.00 0.35 C ATOM 0 H TRP A 46 -12.801 5.899 1.964 1.00 0.22 H new ATOM 0 HA TRP A 46 -14.713 4.559 0.289 1.00 0.24 H new ATOM 0 HB2 TRP A 46 -14.578 6.351 2.694 1.00 0.31 H new ATOM 0 HB3 TRP A 46 -16.077 6.349 1.786 1.00 0.31 H new ATOM 0 HD1 TRP A 46 -13.728 3.789 3.536 1.00 0.32 H new ATOM 0 HE1 TRP A 46 -15.115 1.800 4.412 1.00 0.34 H new ATOM 0 HE3 TRP A 46 -18.323 5.188 1.733 1.00 0.29 H new ATOM 0 HZ2 TRP A 46 -17.776 0.978 4.347 1.00 0.35 H new ATOM 0 HZ3 TRP A 46 -20.251 3.723 2.209 1.00 0.32 H new ATOM 0 HH2 TRP A 46 -19.975 1.652 3.500 1.00 0.35 H new ATOM 696 N THR A 47 -14.843 6.136 -1.554 1.00 0.29 N ATOM 697 CA THR A 47 -15.130 7.021 -2.668 1.00 0.35 C ATOM 698 C THR A 47 -16.619 6.975 -3.017 1.00 0.31 C ATOM 699 O THR A 47 -17.297 5.987 -2.727 1.00 0.28 O ATOM 700 CB THR A 47 -14.274 6.657 -3.901 1.00 0.43 C ATOM 701 OG1 THR A 47 -14.249 5.237 -4.089 1.00 0.53 O ATOM 702 CG2 THR A 47 -12.853 7.176 -3.740 1.00 0.63 C ATOM 0 H THR A 47 -14.759 5.153 -1.814 1.00 0.29 H new ATOM 0 HA THR A 47 -14.873 8.037 -2.368 1.00 0.35 H new ATOM 0 HB THR A 47 -14.724 7.126 -4.776 1.00 0.43 H new ATOM 0 HG1 THR A 47 -13.704 5.021 -4.874 1.00 0.53 H new ATOM 0 HG21 THR A 47 -12.266 6.909 -4.619 1.00 0.63 H new ATOM 0 HG22 THR A 47 -12.872 8.260 -3.632 1.00 0.63 H new ATOM 0 HG23 THR A 47 -12.401 6.731 -2.854 1.00 0.63 H new ATOM 710 N TYR A 48 -17.128 8.035 -3.634 1.00 0.38 N ATOM 711 CA TYR A 48 -18.550 8.099 -3.962 1.00 0.37 C ATOM 712 C TYR A 48 -18.780 8.917 -5.223 1.00 0.42 C ATOM 713 O TYR A 48 -18.064 9.884 -5.482 1.00 0.51 O ATOM 714 CB TYR A 48 -19.363 8.683 -2.787 1.00 0.41 C ATOM 715 CG TYR A 48 -20.830 8.928 -3.106 1.00 0.44 C ATOM 716 CD1 TYR A 48 -21.316 10.199 -3.433 1.00 1.14 C ATOM 717 CD2 TYR A 48 -21.739 7.875 -3.079 1.00 1.15 C ATOM 718 CE1 TYR A 48 -22.651 10.398 -3.714 1.00 1.18 C ATOM 719 CE2 TYR A 48 -23.079 8.075 -3.364 1.00 1.18 C ATOM 720 CZ TYR A 48 -23.528 9.337 -3.678 1.00 0.61 C ATOM 721 OH TYR A 48 -24.860 9.544 -3.963 1.00 0.70 O ATOM 0 H TYR A 48 -16.587 8.853 -3.915 1.00 0.38 H new ATOM 0 HA TYR A 48 -18.895 7.081 -4.145 1.00 0.37 H new ATOM 0 HB2 TYR A 48 -19.296 8.002 -1.939 1.00 0.41 H new ATOM 0 HB3 TYR A 48 -18.908 9.624 -2.477 1.00 0.41 H new ATOM 0 HD1 TYR A 48 -20.635 11.037 -3.466 1.00 1.14 H new ATOM 0 HD2 TYR A 48 -21.393 6.883 -2.831 1.00 1.15 H new ATOM 0 HE1 TYR A 48 -23.009 11.386 -3.962 1.00 1.18 H new ATOM 0 HE2 TYR A 48 -23.769 7.244 -3.340 1.00 1.18 H new ATOM 0 HH TYR A 48 -24.948 10.288 -4.595 1.00 0.70 H new ATOM 731 N ASP A 49 -19.765 8.508 -6.017 1.00 0.42 N ATOM 732 CA ASP A 49 -20.121 9.241 -7.236 1.00 0.51 C ATOM 733 C ASP A 49 -21.604 9.603 -7.153 1.00 0.53 C ATOM 734 O ASP A 49 -22.439 8.745 -6.849 1.00 0.55 O ATOM 735 CB ASP A 49 -19.838 8.419 -8.509 1.00 0.57 C ATOM 736 CG ASP A 49 -19.874 9.271 -9.756 1.00 1.22 C ATOM 737 OD1 ASP A 49 -18.794 9.637 -10.256 1.00 2.07 O ATOM 738 OD2 ASP A 49 -20.987 9.597 -10.226 1.00 1.52 O ATOM 0 H ASP A 49 -20.331 7.677 -5.843 1.00 0.42 H new ATOM 0 HA ASP A 49 -19.508 10.139 -7.304 1.00 0.51 H new ATOM 0 HB2 ASP A 49 -18.861 7.944 -8.423 1.00 0.57 H new ATOM 0 HB3 ASP A 49 -20.574 7.620 -8.595 1.00 0.57 H new ATOM 743 N ASP A 50 -21.942 10.863 -7.415 1.00 0.68 N ATOM 744 CA ASP A 50 -23.319 11.340 -7.216 1.00 0.76 C ATOM 745 C ASP A 50 -24.212 10.966 -8.390 1.00 0.73 C ATOM 746 O ASP A 50 -25.436 10.982 -8.266 1.00 0.84 O ATOM 747 CB ASP A 50 -23.334 12.883 -7.031 1.00 1.00 C ATOM 748 CG ASP A 50 -23.138 13.621 -8.343 1.00 1.56 C ATOM 749 OD1 ASP A 50 -21.994 13.670 -8.842 1.00 2.28 O ATOM 750 OD2 ASP A 50 -24.132 14.147 -8.883 1.00 2.15 O ATOM 0 H ASP A 50 -21.294 11.570 -7.762 1.00 0.68 H new ATOM 0 HA ASP A 50 -23.706 10.858 -6.318 1.00 0.76 H new ATOM 0 HB2 ASP A 50 -24.282 13.184 -6.585 1.00 1.00 H new ATOM 0 HB3 ASP A 50 -22.548 13.171 -6.333 1.00 1.00 H new ATOM 755 N ALA A 51 -23.615 10.577 -9.507 1.00 0.70 N ATOM 756 CA ALA A 51 -24.392 10.242 -10.690 1.00 0.78 C ATOM 757 C ALA A 51 -25.069 8.879 -10.560 1.00 0.75 C ATOM 758 O ALA A 51 -26.213 8.710 -10.983 1.00 0.91 O ATOM 759 CB ALA A 51 -23.517 10.280 -11.936 1.00 0.91 C ATOM 0 H ALA A 51 -22.605 10.486 -9.619 1.00 0.70 H new ATOM 0 HA ALA A 51 -25.176 10.993 -10.785 1.00 0.78 H new ATOM 0 HB1 ALA A 51 -24.117 10.026 -12.810 1.00 0.91 H new ATOM 0 HB2 ALA A 51 -23.102 11.280 -12.059 1.00 0.91 H new ATOM 0 HB3 ALA A 51 -22.705 9.560 -11.832 1.00 0.91 H new ATOM 765 N THR A 52 -24.391 7.922 -9.941 1.00 0.63 N ATOM 766 CA THR A 52 -24.924 6.567 -9.848 1.00 0.65 C ATOM 767 C THR A 52 -25.239 6.123 -8.417 1.00 0.55 C ATOM 768 O THR A 52 -25.785 5.034 -8.223 1.00 0.62 O ATOM 769 CB THR A 52 -23.941 5.568 -10.484 1.00 0.74 C ATOM 770 OG1 THR A 52 -22.605 5.845 -10.035 1.00 1.06 O ATOM 771 CG2 THR A 52 -23.992 5.635 -12.006 1.00 1.19 C ATOM 0 H THR A 52 -23.481 8.055 -9.500 1.00 0.63 H new ATOM 0 HA THR A 52 -25.870 6.579 -10.390 1.00 0.65 H new ATOM 0 HB THR A 52 -24.233 4.564 -10.175 1.00 0.74 H new ATOM 0 HG1 THR A 52 -22.380 5.248 -9.291 1.00 1.06 H new ATOM 0 HG21 THR A 52 -23.287 4.918 -12.426 1.00 1.19 H new ATOM 0 HG22 THR A 52 -24.999 5.396 -12.347 1.00 1.19 H new ATOM 0 HG23 THR A 52 -23.727 6.640 -12.335 1.00 1.19 H new ATOM 779 N LYS A 53 -24.930 6.967 -7.427 1.00 0.47 N ATOM 780 CA LYS A 53 -25.166 6.622 -6.010 1.00 0.46 C ATOM 781 C LYS A 53 -24.369 5.374 -5.630 1.00 0.39 C ATOM 782 O LYS A 53 -24.806 4.553 -4.825 1.00 0.49 O ATOM 783 CB LYS A 53 -26.661 6.379 -5.735 1.00 0.59 C ATOM 784 CG LYS A 53 -27.522 7.638 -5.628 1.00 0.81 C ATOM 785 CD LYS A 53 -27.521 8.467 -6.906 1.00 0.87 C ATOM 786 CE LYS A 53 -28.442 9.670 -6.791 1.00 1.57 C ATOM 787 NZ LYS A 53 -29.866 9.260 -6.656 1.00 2.08 N ATOM 0 H LYS A 53 -24.519 7.889 -7.573 1.00 0.47 H new ATOM 0 HA LYS A 53 -24.836 7.466 -5.404 1.00 0.46 H new ATOM 0 HB2 LYS A 53 -27.062 5.752 -6.531 1.00 0.59 H new ATOM 0 HB3 LYS A 53 -26.755 5.815 -4.807 1.00 0.59 H new ATOM 0 HG2 LYS A 53 -28.546 7.352 -5.387 1.00 0.81 H new ATOM 0 HG3 LYS A 53 -27.159 8.251 -4.803 1.00 0.81 H new ATOM 0 HD2 LYS A 53 -26.507 8.803 -7.122 1.00 0.87 H new ATOM 0 HD3 LYS A 53 -27.836 7.845 -7.744 1.00 0.87 H new ATOM 0 HE2 LYS A 53 -28.152 10.269 -5.928 1.00 1.57 H new ATOM 0 HE3 LYS A 53 -28.327 10.302 -7.671 1.00 1.57 H new ATOM 0 HZ1 LYS A 53 -30.481 10.079 -6.834 1.00 2.08 H new ATOM 0 HZ2 LYS A 53 -30.078 8.511 -7.346 1.00 2.08 H new ATOM 0 HZ3 LYS A 53 -30.035 8.903 -5.694 1.00 2.08 H new ATOM 801 N THR A 54 -23.167 5.283 -6.170 1.00 0.34 N ATOM 802 CA THR A 54 -22.323 4.120 -5.966 1.00 0.31 C ATOM 803 C THR A 54 -21.229 4.392 -4.928 1.00 0.28 C ATOM 804 O THR A 54 -20.341 5.218 -5.156 1.00 0.35 O ATOM 805 CB THR A 54 -21.660 3.702 -7.298 1.00 0.38 C ATOM 806 OG1 THR A 54 -22.652 3.676 -8.335 1.00 0.51 O ATOM 807 CG2 THR A 54 -21.020 2.317 -7.190 1.00 0.41 C ATOM 0 H THR A 54 -22.751 6.006 -6.757 1.00 0.34 H new ATOM 0 HA THR A 54 -22.960 3.316 -5.597 1.00 0.31 H new ATOM 0 HB THR A 54 -20.881 4.427 -7.531 1.00 0.38 H new ATOM 0 HG1 THR A 54 -22.240 3.382 -9.174 1.00 0.51 H new ATOM 0 HG21 THR A 54 -20.562 2.052 -8.143 1.00 0.41 H new ATOM 0 HG22 THR A 54 -20.257 2.329 -6.412 1.00 0.41 H new ATOM 0 HG23 THR A 54 -21.784 1.582 -6.938 1.00 0.41 H new ATOM 815 N TYR A 55 -21.329 3.738 -3.772 1.00 0.21 N ATOM 816 CA TYR A 55 -20.283 3.836 -2.755 1.00 0.21 C ATOM 817 C TYR A 55 -19.204 2.808 -3.077 1.00 0.21 C ATOM 818 O TYR A 55 -19.498 1.626 -3.252 1.00 0.24 O ATOM 819 CB TYR A 55 -20.820 3.603 -1.326 1.00 0.24 C ATOM 820 CG TYR A 55 -21.387 4.831 -0.648 1.00 0.30 C ATOM 821 CD1 TYR A 55 -22.724 5.191 -0.792 1.00 1.14 C ATOM 822 CD2 TYR A 55 -20.577 5.619 0.161 1.00 1.06 C ATOM 823 CE1 TYR A 55 -23.235 6.306 -0.149 1.00 1.19 C ATOM 824 CE2 TYR A 55 -21.078 6.735 0.805 1.00 1.12 C ATOM 825 CZ TYR A 55 -22.408 7.073 0.648 1.00 0.56 C ATOM 826 OH TYR A 55 -22.911 8.181 1.292 1.00 0.70 O ATOM 0 H TYR A 55 -22.115 3.140 -3.517 1.00 0.21 H new ATOM 0 HA TYR A 55 -19.880 4.848 -2.776 1.00 0.21 H new ATOM 0 HB2 TYR A 55 -21.595 2.838 -1.366 1.00 0.24 H new ATOM 0 HB3 TYR A 55 -20.012 3.207 -0.711 1.00 0.24 H new ATOM 0 HD1 TYR A 55 -23.372 4.592 -1.414 1.00 1.14 H new ATOM 0 HD2 TYR A 55 -19.538 5.355 0.289 1.00 1.06 H new ATOM 0 HE1 TYR A 55 -24.274 6.574 -0.270 1.00 1.19 H new ATOM 0 HE2 TYR A 55 -20.434 7.339 1.427 1.00 1.12 H new ATOM 0 HH TYR A 55 -23.632 7.908 1.897 1.00 0.70 H new ATOM 836 N THR A 56 -17.971 3.258 -3.198 1.00 0.24 N ATOM 837 CA THR A 56 -16.878 2.373 -3.558 1.00 0.29 C ATOM 838 C THR A 56 -15.840 2.305 -2.440 1.00 0.25 C ATOM 839 O THR A 56 -15.262 3.324 -2.049 1.00 0.28 O ATOM 840 CB THR A 56 -16.209 2.841 -4.867 1.00 0.38 C ATOM 841 OG1 THR A 56 -17.210 3.025 -5.876 1.00 0.96 O ATOM 842 CG2 THR A 56 -15.176 1.828 -5.352 1.00 0.74 C ATOM 0 H THR A 56 -17.700 4.230 -3.053 1.00 0.24 H new ATOM 0 HA THR A 56 -17.292 1.376 -3.709 1.00 0.29 H new ATOM 0 HB THR A 56 -15.698 3.784 -4.672 1.00 0.38 H new ATOM 0 HG1 THR A 56 -16.786 3.324 -6.707 1.00 0.96 H new ATOM 0 HG21 THR A 56 -14.722 2.186 -6.276 1.00 0.74 H new ATOM 0 HG22 THR A 56 -14.404 1.704 -4.593 1.00 0.74 H new ATOM 0 HG23 THR A 56 -15.663 0.870 -5.534 1.00 0.74 H new ATOM 850 N VAL A 57 -15.631 1.105 -1.911 1.00 0.24 N ATOM 851 CA VAL A 57 -14.652 0.906 -0.857 1.00 0.23 C ATOM 852 C VAL A 57 -13.512 0.040 -1.386 1.00 0.24 C ATOM 853 O VAL A 57 -13.683 -1.143 -1.690 1.00 0.30 O ATOM 854 CB VAL A 57 -15.265 0.311 0.461 1.00 0.25 C ATOM 855 CG1 VAL A 57 -15.865 -1.085 0.273 1.00 0.28 C ATOM 856 CG2 VAL A 57 -14.215 0.281 1.556 1.00 0.27 C ATOM 0 H VAL A 57 -16.126 0.260 -2.196 1.00 0.24 H new ATOM 0 HA VAL A 57 -14.267 1.886 -0.575 1.00 0.23 H new ATOM 0 HB VAL A 57 -16.086 0.968 0.747 1.00 0.25 H new ATOM 0 HG11 VAL A 57 -16.271 -1.437 1.221 1.00 0.28 H new ATOM 0 HG12 VAL A 57 -16.662 -1.041 -0.469 1.00 0.28 H new ATOM 0 HG13 VAL A 57 -15.090 -1.771 -0.067 1.00 0.28 H new ATOM 0 HG21 VAL A 57 -14.650 -0.133 2.466 1.00 0.27 H new ATOM 0 HG22 VAL A 57 -13.377 -0.340 1.239 1.00 0.27 H new ATOM 0 HG23 VAL A 57 -13.863 1.294 1.751 1.00 0.27 H new ATOM 866 N THR A 58 -12.381 0.677 -1.627 1.00 0.26 N ATOM 867 CA THR A 58 -11.240 -0.007 -2.200 1.00 0.30 C ATOM 868 C THR A 58 -10.242 -0.377 -1.110 1.00 0.32 C ATOM 869 O THR A 58 -9.837 0.471 -0.319 1.00 0.36 O ATOM 870 CB THR A 58 -10.566 0.880 -3.261 1.00 0.40 C ATOM 871 OG1 THR A 58 -11.569 1.669 -3.917 1.00 0.41 O ATOM 872 CG2 THR A 58 -9.842 0.030 -4.296 1.00 0.52 C ATOM 0 H THR A 58 -12.229 1.667 -1.434 1.00 0.26 H new ATOM 0 HA THR A 58 -11.587 -0.923 -2.679 1.00 0.30 H new ATOM 0 HB THR A 58 -9.838 1.524 -2.768 1.00 0.40 H new ATOM 0 HG1 THR A 58 -11.147 2.238 -4.594 1.00 0.41 H new ATOM 0 HG21 THR A 58 -9.373 0.679 -5.036 1.00 0.52 H new ATOM 0 HG22 THR A 58 -9.077 -0.570 -3.803 1.00 0.52 H new ATOM 0 HG23 THR A 58 -10.557 -0.628 -4.791 1.00 0.52 H new ATOM 880 N GLU A 59 -9.895 -1.651 -1.052 1.00 0.35 N ATOM 881 CA GLU A 59 -8.976 -2.157 -0.037 1.00 0.42 C ATOM 882 C GLU A 59 -7.530 -1.808 -0.418 1.00 0.53 C ATOM 883 O GLU A 59 -6.899 -2.525 -1.198 1.00 0.75 O ATOM 884 CB GLU A 59 -9.156 -3.684 0.083 1.00 0.44 C ATOM 885 CG GLU A 59 -8.526 -4.349 1.297 1.00 0.78 C ATOM 886 CD GLU A 59 -7.071 -4.707 1.084 1.00 1.79 C ATOM 887 OE1 GLU A 59 -6.800 -5.690 0.355 1.00 2.34 O ATOM 888 OE2 GLU A 59 -6.192 -4.028 1.647 1.00 2.56 O ATOM 0 H GLU A 59 -10.237 -2.362 -1.699 1.00 0.35 H new ATOM 0 HA GLU A 59 -9.193 -1.694 0.926 1.00 0.42 H new ATOM 0 HB2 GLU A 59 -10.224 -3.902 0.091 1.00 0.44 H new ATOM 0 HB3 GLU A 59 -8.743 -4.148 -0.813 1.00 0.44 H new ATOM 0 HG2 GLU A 59 -8.609 -3.681 2.155 1.00 0.78 H new ATOM 0 HG3 GLU A 59 -9.085 -5.252 1.541 1.00 0.78 H new ATOM 1067 N LEU A 75 25.322 2.340 -0.733 1.00 21.47 N ATOM 1068 CA LEU A 75 24.691 1.583 0.341 1.00 21.98 C ATOM 1069 C LEU A 75 23.315 2.154 0.672 1.00 22.04 C ATOM 1070 O LEU A 75 23.155 3.370 0.793 1.00 21.90 O ATOM 1071 CB LEU A 75 25.558 1.583 1.607 1.00 22.62 C ATOM 1072 CG LEU A 75 26.745 0.612 1.619 1.00 22.85 C ATOM 1073 CD1 LEU A 75 26.295 -0.791 1.241 1.00 22.94 C ATOM 1074 CD2 LEU A 75 27.849 1.087 0.684 1.00 22.46 C ATOM 0 HA LEU A 75 24.580 0.557 -0.009 1.00 21.98 H new ATOM 0 HB2 LEU A 75 25.940 2.592 1.760 1.00 22.62 H new ATOM 0 HB3 LEU A 75 24.919 1.352 2.459 1.00 22.62 H new ATOM 0 HG LEU A 75 27.146 0.586 2.632 1.00 22.85 H new ATOM 0 HD11 LEU A 75 27.152 -1.464 1.256 1.00 22.94 H new ATOM 0 HD12 LEU A 75 25.548 -1.138 1.955 1.00 22.94 H new ATOM 0 HD13 LEU A 75 25.862 -0.777 0.241 1.00 22.94 H new ATOM 0 HD21 LEU A 75 28.678 0.380 0.712 1.00 22.46 H new ATOM 0 HD22 LEU A 75 27.462 1.152 -0.333 1.00 22.46 H new ATOM 0 HD23 LEU A 75 28.198 2.069 1.003 1.00 22.46 H new ATOM 1086 N PRO A 76 22.307 1.284 0.822 1.00 22.33 N ATOM 1087 CA PRO A 76 20.956 1.705 1.175 1.00 22.55 C ATOM 1088 C PRO A 76 20.851 2.042 2.665 1.00 23.16 C ATOM 1089 O PRO A 76 21.713 1.652 3.455 1.00 23.54 O ATOM 1090 CB PRO A 76 20.086 0.493 0.806 1.00 22.90 C ATOM 1091 CG PRO A 76 21.001 -0.689 0.820 1.00 22.69 C ATOM 1092 CD PRO A 76 22.423 -0.175 0.675 1.00 22.58 C ATOM 0 HA PRO A 76 20.647 2.612 0.655 1.00 22.55 H new ATOM 0 HB2 PRO A 76 19.272 0.365 1.520 1.00 22.90 H new ATOM 0 HB3 PRO A 76 19.631 0.623 -0.176 1.00 22.90 H new ATOM 0 HG2 PRO A 76 20.889 -1.248 1.749 1.00 22.69 H new ATOM 0 HG3 PRO A 76 20.756 -1.372 0.006 1.00 22.69 H new ATOM 0 HD2 PRO A 76 23.077 -0.599 1.436 1.00 22.58 H new ATOM 0 HD3 PRO A 76 22.845 -0.444 -0.294 1.00 22.58 H new ATOM 1100 N PRO A 77 19.859 2.864 3.044 1.00 23.33 N ATOM 1101 CA PRO A 77 19.638 3.264 4.446 1.00 24.01 C ATOM 1102 C PRO A 77 19.704 2.093 5.422 1.00 24.77 C ATOM 1103 O PRO A 77 19.055 1.065 5.222 1.00 25.03 O ATOM 1104 CB PRO A 77 18.224 3.852 4.394 1.00 24.14 C ATOM 1105 CG PRO A 77 18.176 4.483 3.055 1.00 23.57 C ATOM 1106 CD PRO A 77 18.883 3.513 2.137 1.00 23.01 C ATOM 0 HA PRO A 77 20.403 3.951 4.808 1.00 24.01 H new ATOM 0 HB2 PRO A 77 17.462 3.081 4.505 1.00 24.14 H new ATOM 0 HB3 PRO A 77 18.060 4.579 5.189 1.00 24.14 H new ATOM 0 HG2 PRO A 77 17.148 4.651 2.735 1.00 23.57 H new ATOM 0 HG3 PRO A 77 18.671 5.454 3.059 1.00 23.57 H new ATOM 0 HD2 PRO A 77 18.193 2.791 1.701 1.00 23.01 H new ATOM 0 HD3 PRO A 77 19.376 4.023 1.309 1.00 23.01 H new ATOM 1114 N GLY A 78 20.475 2.270 6.492 1.00 25.21 N ATOM 1115 CA GLY A 78 20.623 1.220 7.494 1.00 26.01 C ATOM 1116 C GLY A 78 21.639 0.126 7.146 1.00 25.92 C ATOM 1117 O GLY A 78 21.750 -0.852 7.887 1.00 26.59 O ATOM 0 H GLY A 78 21.002 3.122 6.686 1.00 25.21 H new ATOM 0 HA2 GLY A 78 20.916 1.679 8.438 1.00 26.01 H new ATOM 0 HA3 GLY A 78 19.651 0.753 7.655 1.00 26.01 H new ATOM 1121 N TRP A 79 22.357 0.248 6.027 1.00 25.19 N ATOM 1122 CA TRP A 79 23.365 -0.755 5.658 1.00 25.16 C ATOM 1123 C TRP A 79 24.780 -0.215 5.851 1.00 24.97 C ATOM 1124 O TRP A 79 25.040 0.963 5.600 1.00 24.43 O ATOM 1125 CB TRP A 79 23.198 -1.174 4.199 1.00 24.58 C ATOM 1126 CG TRP A 79 21.992 -2.020 3.940 1.00 24.92 C ATOM 1127 CD1 TRP A 79 20.704 -1.593 3.864 1.00 24.92 C ATOM 1128 CD2 TRP A 79 21.962 -3.433 3.727 1.00 25.44 C ATOM 1129 NE1 TRP A 79 19.873 -2.638 3.555 1.00 25.41 N ATOM 1130 CE2 TRP A 79 20.621 -3.789 3.489 1.00 25.73 C ATOM 1131 CE3 TRP A 79 22.939 -4.431 3.702 1.00 25.76 C ATOM 1132 CZ2 TRP A 79 20.235 -5.102 3.237 1.00 26.32 C ATOM 1133 CZ3 TRP A 79 22.555 -5.733 3.454 1.00 26.34 C ATOM 1134 CH2 TRP A 79 21.215 -6.060 3.223 1.00 26.61 C ATOM 0 H TRP A 79 22.263 1.020 5.367 1.00 25.19 H new ATOM 0 HA TRP A 79 23.217 -1.615 6.310 1.00 25.16 H new ATOM 0 HB2 TRP A 79 23.140 -0.279 3.580 1.00 24.58 H new ATOM 0 HB3 TRP A 79 24.087 -1.722 3.886 1.00 24.58 H new ATOM 0 HD1 TRP A 79 20.381 -0.575 4.024 1.00 24.92 H new ATOM 0 HE1 TRP A 79 18.867 -2.572 3.400 1.00 25.41 H new ATOM 0 HE3 TRP A 79 23.977 -4.188 3.874 1.00 25.76 H new ATOM 0 HZ2 TRP A 79 19.201 -5.357 3.059 1.00 26.32 H new ATOM 0 HZ3 TRP A 79 23.302 -6.513 3.438 1.00 26.34 H new ATOM 0 HH2 TRP A 79 20.947 -7.088 3.030 1.00 26.61 H new ATOM 1145 N GLU A 80 25.694 -1.069 6.301 1.00 25.51 N ATOM 1146 CA GLU A 80 27.086 -0.687 6.434 1.00 25.50 C ATOM 1147 C GLU A 80 27.966 -1.701 5.711 1.00 25.52 C ATOM 1148 O GLU A 80 27.789 -2.909 5.879 1.00 25.91 O ATOM 1149 CB GLU A 80 27.501 -0.632 7.914 1.00 26.28 C ATOM 1150 CG GLU A 80 26.712 0.352 8.763 1.00 26.33 C ATOM 1151 CD GLU A 80 27.115 0.307 10.229 1.00 26.69 C ATOM 1152 OE1 GLU A 80 28.325 0.422 10.526 1.00 26.95 O ATOM 1153 OE2 GLU A 80 26.222 0.161 11.096 1.00 26.80 O ATOM 0 H GLU A 80 25.491 -2.029 6.578 1.00 25.51 H new ATOM 0 HA GLU A 80 27.212 0.303 5.995 1.00 25.50 H new ATOM 0 HB2 GLU A 80 27.394 -1.628 8.344 1.00 26.28 H new ATOM 0 HB3 GLU A 80 28.558 -0.372 7.971 1.00 26.28 H new ATOM 0 HG2 GLU A 80 26.862 1.361 8.379 1.00 26.33 H new ATOM 0 HG3 GLU A 80 25.648 0.132 8.675 1.00 26.33 H new ATOM 1160 N MET A 81 28.900 -1.214 4.908 1.00 25.18 N ATOM 1161 CA MET A 81 29.838 -2.088 4.226 1.00 25.27 C ATOM 1162 C MET A 81 31.220 -1.843 4.804 1.00 25.77 C ATOM 1163 O MET A 81 31.817 -0.792 4.567 1.00 25.60 O ATOM 1164 CB MET A 81 29.867 -1.848 2.716 1.00 24.50 C ATOM 1165 CG MET A 81 30.784 -2.827 1.992 1.00 24.68 C ATOM 1166 SD MET A 81 30.850 -2.569 0.205 1.00 24.52 S ATOM 1167 CE MET A 81 31.589 -0.936 0.120 1.00 24.27 C ATOM 0 H MET A 81 29.027 -0.221 4.714 1.00 25.18 H new ATOM 0 HA MET A 81 29.520 -3.119 4.380 1.00 25.27 H new ATOM 0 HB2 MET A 81 28.857 -1.937 2.317 1.00 24.50 H new ATOM 0 HB3 MET A 81 30.199 -0.829 2.519 1.00 24.50 H new ATOM 0 HG2 MET A 81 31.791 -2.739 2.401 1.00 24.68 H new ATOM 0 HG3 MET A 81 30.446 -3.844 2.192 1.00 24.68 H new ATOM 0 HE1 MET A 81 32.306 -0.903 -0.700 1.00 24.27 H new ATOM 0 HE2 MET A 81 30.810 -0.192 -0.049 1.00 24.27 H new ATOM 0 HE3 MET A 81 32.101 -0.719 1.058 1.00 24.27 H new ATOM 1177 N LYS A 82 31.715 -2.777 5.597 1.00 26.46 N ATOM 1178 CA LYS A 82 32.999 -2.579 6.254 1.00 27.08 C ATOM 1179 C LYS A 82 33.839 -3.840 6.102 1.00 27.55 C ATOM 1180 O LYS A 82 33.300 -4.912 5.823 1.00 27.58 O ATOM 1181 CB LYS A 82 32.804 -2.180 7.737 1.00 27.79 C ATOM 1182 CG LYS A 82 31.780 -1.064 7.911 1.00 27.45 C ATOM 1183 CD LYS A 82 31.671 -0.583 9.350 1.00 28.23 C ATOM 1184 CE LYS A 82 31.003 -1.614 10.240 1.00 28.14 C ATOM 1185 NZ LYS A 82 30.443 -1.001 11.476 1.00 28.22 N ATOM 0 H LYS A 82 31.258 -3.666 5.801 1.00 26.46 H new ATOM 0 HA LYS A 82 33.531 -1.755 5.779 1.00 27.08 H new ATOM 0 HB2 LYS A 82 32.485 -3.053 8.306 1.00 27.79 H new ATOM 0 HB3 LYS A 82 33.760 -1.860 8.153 1.00 27.79 H new ATOM 0 HG2 LYS A 82 32.052 -0.224 7.272 1.00 27.45 H new ATOM 0 HG3 LYS A 82 30.805 -1.417 7.576 1.00 27.45 H new ATOM 0 HD2 LYS A 82 32.666 -0.361 9.735 1.00 28.23 H new ATOM 0 HD3 LYS A 82 31.102 0.346 9.380 1.00 28.23 H new ATOM 0 HE2 LYS A 82 30.205 -2.109 9.687 1.00 28.14 H new ATOM 0 HE3 LYS A 82 31.727 -2.383 10.512 1.00 28.14 H new ATOM 0 HZ1 LYS A 82 30.401 -1.716 12.230 1.00 28.22 H new ATOM 0 HZ2 LYS A 82 31.051 -0.214 11.779 1.00 28.22 H new ATOM 0 HZ3 LYS A 82 29.485 -0.644 11.283 1.00 28.22 H new ATOM 1199 N TYR A 83 35.150 -3.705 6.205 1.00 27.96 N ATOM 1200 CA TYR A 83 36.049 -4.835 6.002 1.00 28.50 C ATOM 1201 C TYR A 83 36.740 -5.203 7.308 1.00 29.50 C ATOM 1202 O TYR A 83 36.889 -4.362 8.194 1.00 29.77 O ATOM 1203 CB TYR A 83 37.115 -4.498 4.937 1.00 28.32 C ATOM 1204 CG TYR A 83 36.604 -4.436 3.508 1.00 27.47 C ATOM 1205 CD1 TYR A 83 37.160 -5.246 2.525 1.00 27.19 C ATOM 1206 CD2 TYR A 83 35.586 -3.565 3.139 1.00 27.03 C ATOM 1207 CE1 TYR A 83 36.716 -5.188 1.217 1.00 26.48 C ATOM 1208 CE2 TYR A 83 35.137 -3.504 1.838 1.00 26.32 C ATOM 1209 CZ TYR A 83 35.703 -4.317 0.879 1.00 26.04 C ATOM 1210 OH TYR A 83 35.253 -4.252 -0.418 1.00 25.39 O ATOM 0 H TYR A 83 35.618 -2.827 6.428 1.00 27.96 H new ATOM 0 HA TYR A 83 35.455 -5.681 5.656 1.00 28.50 H new ATOM 0 HB2 TYR A 83 37.564 -3.537 5.187 1.00 28.32 H new ATOM 0 HB3 TYR A 83 37.908 -5.244 4.990 1.00 28.32 H new ATOM 0 HD1 TYR A 83 37.952 -5.932 2.787 1.00 27.19 H new ATOM 0 HD2 TYR A 83 35.139 -2.925 3.885 1.00 27.03 H new ATOM 0 HE1 TYR A 83 37.161 -5.822 0.464 1.00 26.48 H new ATOM 0 HE2 TYR A 83 34.344 -2.821 1.570 1.00 26.32 H new ATOM 0 HH TYR A 83 34.536 -3.588 -0.482 1.00 25.39 H new ATOM 1220 N THR A 84 37.113 -6.467 7.438 1.00 30.09 N ATOM 1221 CA THR A 84 37.843 -6.931 8.604 1.00 31.09 C ATOM 1222 C THR A 84 39.322 -6.546 8.439 1.00 31.47 C ATOM 1223 O THR A 84 39.724 -6.097 7.362 1.00 30.98 O ATOM 1224 CB THR A 84 37.688 -8.467 8.785 1.00 31.69 C ATOM 1225 OG1 THR A 84 38.409 -9.162 7.756 1.00 31.75 O ATOM 1226 CG2 THR A 84 36.217 -8.885 8.727 1.00 31.35 C ATOM 0 H THR A 84 36.920 -7.191 6.746 1.00 30.09 H new ATOM 0 HA THR A 84 37.438 -6.460 9.499 1.00 31.09 H new ATOM 0 HB THR A 84 38.092 -8.727 9.764 1.00 31.69 H new ATOM 0 HG1 THR A 84 38.455 -10.116 7.976 1.00 31.75 H new ATOM 0 HG21 THR A 84 36.140 -9.965 8.857 1.00 31.35 H new ATOM 0 HG22 THR A 84 35.665 -8.384 9.522 1.00 31.35 H new ATOM 0 HG23 THR A 84 35.797 -8.605 7.761 1.00 31.35 H new ATOM 1234 N SER A 85 40.142 -6.777 9.456 1.00 32.40 N ATOM 1235 CA SER A 85 41.554 -6.375 9.414 1.00 32.91 C ATOM 1236 C SER A 85 42.395 -7.271 8.493 1.00 33.07 C ATOM 1237 O SER A 85 43.623 -7.163 8.451 1.00 33.44 O ATOM 1238 CB SER A 85 42.129 -6.370 10.831 1.00 33.91 C ATOM 1239 OG SER A 85 41.771 -7.552 11.535 1.00 34.32 O ATOM 0 H SER A 85 39.861 -7.239 10.321 1.00 32.40 H new ATOM 0 HA SER A 85 41.598 -5.370 8.995 1.00 32.91 H new ATOM 0 HB2 SER A 85 43.215 -6.285 10.785 1.00 33.91 H new ATOM 0 HB3 SER A 85 41.764 -5.497 11.372 1.00 33.91 H new ATOM 0 HG SER A 85 42.153 -7.524 12.437 1.00 34.32 H new ATOM 1245 N GLU A 86 41.729 -8.125 7.733 1.00 32.82 N ATOM 1246 CA GLU A 86 42.412 -9.017 6.802 1.00 33.03 C ATOM 1247 C GLU A 86 41.916 -8.756 5.380 1.00 32.13 C ATOM 1248 O GLU A 86 42.358 -9.393 4.426 1.00 32.23 O ATOM 1249 CB GLU A 86 42.165 -10.478 7.200 1.00 33.61 C ATOM 1250 CG GLU A 86 42.617 -10.798 8.617 1.00 34.45 C ATOM 1251 CD GLU A 86 42.500 -12.269 8.954 1.00 34.93 C ATOM 1252 OE1 GLU A 86 41.477 -12.664 9.547 1.00 34.87 O ATOM 1253 OE2 GLU A 86 43.422 -13.041 8.620 1.00 35.43 O ATOM 0 H GLU A 86 40.714 -8.222 7.741 1.00 32.82 H new ATOM 0 HA GLU A 86 43.484 -8.826 6.839 1.00 33.03 H new ATOM 0 HB2 GLU A 86 41.102 -10.698 7.106 1.00 33.61 H new ATOM 0 HB3 GLU A 86 42.689 -11.131 6.502 1.00 33.61 H new ATOM 0 HG2 GLU A 86 43.653 -10.483 8.743 1.00 34.45 H new ATOM 0 HG3 GLU A 86 42.020 -10.220 9.323 1.00 34.45 H new ATOM 1260 N GLY A 87 41.005 -7.795 5.248 1.00 31.30 N ATOM 1261 CA GLY A 87 40.475 -7.453 3.939 1.00 30.42 C ATOM 1262 C GLY A 87 39.228 -8.236 3.569 1.00 30.02 C ATOM 1263 O GLY A 87 38.806 -8.226 2.411 1.00 29.44 O ATOM 0 H GLY A 87 40.625 -7.249 6.021 1.00 31.30 H new ATOM 0 HA2 GLY A 87 40.246 -6.388 3.915 1.00 30.42 H new ATOM 0 HA3 GLY A 87 41.243 -7.631 3.187 1.00 30.42 H new ATOM 1267 N VAL A 88 38.633 -8.913 4.540 1.00 30.40 N ATOM 1268 CA VAL A 88 37.420 -9.681 4.296 1.00 30.17 C ATOM 1269 C VAL A 88 36.210 -8.751 4.325 1.00 29.38 C ATOM 1270 O VAL A 88 36.111 -7.877 5.187 1.00 29.40 O ATOM 1271 CB VAL A 88 37.246 -10.821 5.324 1.00 31.05 C ATOM 1272 CG1 VAL A 88 35.953 -11.583 5.089 1.00 30.89 C ATOM 1273 CG2 VAL A 88 38.430 -11.771 5.266 1.00 31.86 C ATOM 0 H VAL A 88 38.969 -8.947 5.502 1.00 30.40 H new ATOM 0 HA VAL A 88 37.504 -10.142 3.312 1.00 30.17 H new ATOM 0 HB VAL A 88 37.199 -10.371 6.316 1.00 31.05 H new ATOM 0 HG11 VAL A 88 35.860 -12.378 5.828 1.00 30.89 H new ATOM 0 HG12 VAL A 88 35.107 -10.902 5.181 1.00 30.89 H new ATOM 0 HG13 VAL A 88 35.963 -12.017 4.089 1.00 30.89 H new ATOM 0 HG21 VAL A 88 38.293 -12.569 5.996 1.00 31.86 H new ATOM 0 HG22 VAL A 88 38.502 -12.202 4.267 1.00 31.86 H new ATOM 0 HG23 VAL A 88 39.346 -11.225 5.493 1.00 31.86 H new ATOM 1283 N ARG A 89 35.305 -8.941 3.377 1.00 28.74 N ATOM 1284 CA ARG A 89 34.140 -8.075 3.226 1.00 27.99 C ATOM 1285 C ARG A 89 32.945 -8.598 4.023 1.00 28.23 C ATOM 1286 O ARG A 89 32.512 -9.733 3.823 1.00 28.54 O ATOM 1287 CB ARG A 89 33.766 -7.993 1.741 1.00 27.21 C ATOM 1288 CG ARG A 89 32.723 -6.941 1.406 1.00 26.48 C ATOM 1289 CD ARG A 89 32.372 -6.984 -0.073 1.00 25.83 C ATOM 1290 NE ARG A 89 31.480 -5.896 -0.466 1.00 25.29 N ATOM 1291 CZ ARG A 89 30.583 -5.993 -1.450 1.00 24.70 C ATOM 1292 NH1 ARG A 89 30.442 -7.126 -2.124 1.00 24.55 N ATOM 1293 NH2 ARG A 89 29.823 -4.953 -1.757 1.00 24.34 N ATOM 0 H ARG A 89 35.354 -9.695 2.692 1.00 28.74 H new ATOM 0 HA ARG A 89 34.395 -7.087 3.611 1.00 27.99 H new ATOM 0 HB2 ARG A 89 34.668 -7.788 1.164 1.00 27.21 H new ATOM 0 HB3 ARG A 89 33.397 -8.967 1.419 1.00 27.21 H new ATOM 0 HG2 ARG A 89 31.826 -7.108 2.003 1.00 26.48 H new ATOM 0 HG3 ARG A 89 33.100 -5.952 1.667 1.00 26.48 H new ATOM 0 HD2 ARG A 89 33.287 -6.931 -0.662 1.00 25.83 H new ATOM 0 HD3 ARG A 89 31.900 -7.939 -0.304 1.00 25.83 H new ATOM 0 HE ARG A 89 31.546 -5.013 0.040 1.00 25.29 H new ATOM 0 HH11 ARG A 89 31.021 -7.933 -1.892 1.00 24.55 H new ATOM 0 HH12 ARG A 89 29.754 -7.191 -2.874 1.00 24.55 H new ATOM 0 HH21 ARG A 89 29.923 -4.078 -1.242 1.00 24.34 H new ATOM 0 HH22 ARG A 89 29.138 -5.026 -2.509 1.00 24.34 H new ATOM 1307 N TYR A 90 32.404 -7.769 4.911 1.00 28.18 N ATOM 1308 CA TYR A 90 31.214 -8.149 5.665 1.00 28.46 C ATOM 1309 C TYR A 90 30.223 -6.985 5.694 1.00 27.80 C ATOM 1310 O TYR A 90 30.617 -5.826 5.529 1.00 27.31 O ATOM 1311 CB TYR A 90 31.563 -8.608 7.098 1.00 29.43 C ATOM 1312 CG TYR A 90 32.018 -7.523 8.053 1.00 29.57 C ATOM 1313 CD1 TYR A 90 33.334 -7.069 8.043 1.00 29.65 C ATOM 1314 CD2 TYR A 90 31.129 -6.923 8.936 1.00 29.70 C ATOM 1315 CE1 TYR A 90 33.747 -6.055 8.885 1.00 29.86 C ATOM 1316 CE2 TYR A 90 31.537 -5.909 9.787 1.00 29.91 C ATOM 1317 CZ TYR A 90 32.864 -5.578 9.861 1.00 30.05 C ATOM 1318 OH TYR A 90 33.257 -4.467 10.598 1.00 30.27 O ATOM 0 H TYR A 90 32.766 -6.840 5.125 1.00 28.18 H new ATOM 0 HA TYR A 90 30.753 -8.998 5.161 1.00 28.46 H new ATOM 0 HB2 TYR A 90 30.687 -9.096 7.525 1.00 29.43 H new ATOM 0 HB3 TYR A 90 32.348 -9.361 7.035 1.00 29.43 H new ATOM 0 HD1 TYR A 90 34.045 -7.518 7.365 1.00 29.65 H new ATOM 0 HD2 TYR A 90 30.101 -7.253 8.959 1.00 29.70 H new ATOM 0 HE1 TYR A 90 34.738 -5.636 8.792 1.00 29.86 H new ATOM 0 HE2 TYR A 90 30.812 -5.382 10.389 1.00 29.91 H new ATOM 0 HH TYR A 90 32.555 -4.236 11.241 1.00 30.27 H new ATOM 1328 N PHE A 91 28.938 -7.279 5.880 1.00 27.84 N ATOM 1329 CA PHE A 91 27.922 -6.237 5.920 1.00 27.29 C ATOM 1330 C PHE A 91 27.266 -6.190 7.293 1.00 27.91 C ATOM 1331 O PHE A 91 27.300 -7.169 8.048 1.00 28.69 O ATOM 1332 CB PHE A 91 26.856 -6.450 4.842 1.00 26.81 C ATOM 1333 CG PHE A 91 27.248 -5.964 3.473 1.00 26.08 C ATOM 1334 CD1 PHE A 91 26.613 -4.882 2.879 1.00 25.34 C ATOM 1335 CD2 PHE A 91 28.271 -6.593 2.783 1.00 26.22 C ATOM 1336 CE1 PHE A 91 26.994 -4.444 1.624 1.00 24.76 C ATOM 1337 CE2 PHE A 91 28.654 -6.160 1.530 1.00 25.66 C ATOM 1338 CZ PHE A 91 27.931 -5.050 0.938 1.00 24.89 C ATOM 0 H PHE A 91 28.580 -8.226 6.005 1.00 27.84 H new ATOM 0 HA PHE A 91 28.417 -5.286 5.724 1.00 27.29 H new ATOM 0 HB2 PHE A 91 26.624 -7.513 4.784 1.00 26.81 H new ATOM 0 HB3 PHE A 91 25.942 -5.940 5.147 1.00 26.81 H new ATOM 0 HD1 PHE A 91 25.814 -4.378 3.402 1.00 25.34 H new ATOM 0 HD2 PHE A 91 28.777 -7.435 3.232 1.00 26.22 H new ATOM 0 HE1 PHE A 91 26.506 -3.580 1.198 1.00 24.76 H new ATOM 0 HE2 PHE A 91 29.470 -6.634 1.004 1.00 25.66 H new ATOM 0 HZ PHE A 91 28.165 -4.725 -0.065 1.00 24.89 H new ATOM 1348 N VAL A 92 26.685 -5.054 7.623 1.00 27.61 N ATOM 1349 CA VAL A 92 26.042 -4.885 8.913 1.00 28.23 C ATOM 1350 C VAL A 92 24.595 -4.438 8.745 1.00 27.94 C ATOM 1351 O VAL A 92 24.334 -3.346 8.231 1.00 27.26 O ATOM 1352 CB VAL A 92 26.791 -3.844 9.773 1.00 28.37 C ATOM 1353 CG1 VAL A 92 26.183 -3.733 11.156 1.00 29.13 C ATOM 1354 CG2 VAL A 92 28.262 -4.193 9.883 1.00 28.67 C ATOM 0 H VAL A 92 26.644 -4.234 7.017 1.00 27.61 H new ATOM 0 HA VAL A 92 26.066 -5.852 9.415 1.00 28.23 H new ATOM 0 HB VAL A 92 26.693 -2.879 9.275 1.00 28.37 H new ATOM 0 HG11 VAL A 92 26.733 -2.992 11.737 1.00 29.13 H new ATOM 0 HG12 VAL A 92 25.140 -3.427 11.072 1.00 29.13 H new ATOM 0 HG13 VAL A 92 26.238 -4.700 11.656 1.00 29.13 H new ATOM 0 HG21 VAL A 92 28.769 -3.445 10.493 1.00 28.67 H new ATOM 0 HG22 VAL A 92 28.370 -5.174 10.347 1.00 28.67 H new ATOM 0 HG23 VAL A 92 28.707 -4.211 8.888 1.00 28.67 H new ATOM 1364 N ASP A 93 23.655 -5.307 9.113 1.00 28.50 N ATOM 1365 CA ASP A 93 22.235 -4.942 9.091 1.00 28.42 C ATOM 1366 C ASP A 93 21.958 -4.047 10.296 1.00 28.86 C ATOM 1367 O ASP A 93 21.676 -4.542 11.379 1.00 29.70 O ATOM 1368 CB ASP A 93 21.304 -6.180 9.153 1.00 29.01 C ATOM 1369 CG ASP A 93 20.888 -6.697 7.784 1.00 28.68 C ATOM 1370 OD1 ASP A 93 19.985 -6.088 7.166 1.00 28.33 O ATOM 1371 OD2 ASP A 93 21.434 -7.728 7.338 1.00 28.82 O ATOM 0 H ASP A 93 23.845 -6.259 9.427 1.00 28.50 H new ATOM 0 HA ASP A 93 22.028 -4.429 8.152 1.00 28.42 H new ATOM 0 HB2 ASP A 93 21.810 -6.978 9.695 1.00 29.01 H new ATOM 0 HB3 ASP A 93 20.411 -5.924 9.723 1.00 29.01 H new ATOM 1376 N HIS A 94 22.115 -2.735 10.135 1.00 28.36 N ATOM 1377 CA HIS A 94 21.939 -1.797 11.243 1.00 28.81 C ATOM 1378 C HIS A 94 20.465 -1.654 11.600 1.00 29.31 C ATOM 1379 O HIS A 94 20.117 -1.123 12.651 1.00 29.90 O ATOM 1380 CB HIS A 94 22.545 -0.436 10.882 1.00 28.18 C ATOM 1381 CG HIS A 94 22.695 0.493 12.050 1.00 28.49 C ATOM 1382 ND1 HIS A 94 22.136 1.751 12.096 1.00 28.32 N ATOM 1383 CD2 HIS A 94 23.374 0.344 13.212 1.00 29.05 C ATOM 1384 CE1 HIS A 94 22.468 2.335 13.235 1.00 28.75 C ATOM 1385 NE2 HIS A 94 23.218 1.501 13.931 1.00 29.20 N ATOM 0 H HIS A 94 22.364 -2.297 9.248 1.00 28.36 H new ATOM 0 HA HIS A 94 22.459 -2.189 12.117 1.00 28.81 H new ATOM 0 HB2 HIS A 94 23.523 -0.594 10.428 1.00 28.18 H new ATOM 0 HB3 HIS A 94 21.918 0.041 10.129 1.00 28.18 H new ATOM 0 HD2 HIS A 94 23.936 -0.527 13.517 1.00 29.05 H new ATOM 0 HE1 HIS A 94 22.175 3.327 13.544 1.00 28.75 H new ATOM 0 HE2 HIS A 94 23.616 1.687 14.852 1.00 29.20 H new ATOM 1394 N ASN A 95 19.611 -2.182 10.736 1.00 29.17 N ATOM 1395 CA ASN A 95 18.168 -2.142 10.941 1.00 29.71 C ATOM 1396 C ASN A 95 17.764 -3.108 12.054 1.00 30.73 C ATOM 1397 O ASN A 95 16.884 -2.811 12.858 1.00 31.42 O ATOM 1398 CB ASN A 95 17.426 -2.491 9.634 1.00 29.28 C ATOM 1399 CG ASN A 95 17.825 -3.851 9.079 1.00 29.19 C ATOM 1400 OD1 ASN A 95 17.270 -4.879 9.459 1.00 29.80 O ATOM 1401 ND2 ASN A 95 18.782 -3.864 8.161 1.00 28.49 N ATOM 0 H ASN A 95 19.896 -2.649 9.875 1.00 29.17 H new ATOM 0 HA ASN A 95 17.889 -1.131 11.237 1.00 29.71 H new ATOM 0 HB2 ASN A 95 16.351 -2.478 9.816 1.00 29.28 H new ATOM 0 HB3 ASN A 95 17.632 -1.724 8.888 1.00 29.28 H new ATOM 0 HD21 ASN A 95 19.079 -4.747 7.747 1.00 28.49 H new ATOM 0 HD22 ASN A 95 19.221 -2.991 7.869 1.00 28.49 H new ATOM 1408 N THR A 96 18.430 -4.252 12.109 1.00 30.87 N ATOM 1409 CA THR A 96 18.156 -5.250 13.130 1.00 31.86 C ATOM 1410 C THR A 96 19.342 -5.381 14.083 1.00 32.23 C ATOM 1411 O THR A 96 19.268 -6.057 15.110 1.00 33.14 O ATOM 1412 CB THR A 96 17.862 -6.617 12.489 1.00 31.96 C ATOM 1413 OG1 THR A 96 18.694 -6.799 11.336 1.00 31.19 O ATOM 1414 CG2 THR A 96 16.400 -6.729 12.089 1.00 32.02 C ATOM 0 H THR A 96 19.168 -4.512 11.454 1.00 30.87 H new ATOM 0 HA THR A 96 17.280 -4.924 13.690 1.00 31.86 H new ATOM 0 HB THR A 96 18.077 -7.393 13.223 1.00 31.96 H new ATOM 0 HG1 THR A 96 18.339 -6.272 10.590 1.00 31.19 H new ATOM 0 HG21 THR A 96 16.220 -7.705 11.638 1.00 32.02 H new ATOM 0 HG22 THR A 96 15.771 -6.615 12.972 1.00 32.02 H new ATOM 0 HG23 THR A 96 16.159 -5.947 11.369 1.00 32.02 H new ATOM 1422 N ARG A 97 20.423 -4.690 13.728 1.00 31.56 N ATOM 1423 CA ARG A 97 21.679 -4.707 14.482 1.00 31.87 C ATOM 1424 C ARG A 97 22.254 -6.108 14.555 1.00 32.27 C ATOM 1425 O ARG A 97 22.169 -6.799 15.570 1.00 33.03 O ATOM 1426 CB ARG A 97 21.527 -4.090 15.865 1.00 32.70 C ATOM 1427 CG ARG A 97 21.225 -2.605 15.793 1.00 32.43 C ATOM 1428 CD ARG A 97 21.465 -1.901 17.117 1.00 33.36 C ATOM 1429 NE ARG A 97 22.889 -1.679 17.378 1.00 33.97 N ATOM 1430 CZ ARG A 97 23.355 -1.016 18.439 1.00 34.73 C ATOM 1431 NH1 ARG A 97 22.514 -0.538 19.346 1.00 35.00 N ATOM 1432 NH2 ARG A 97 24.659 -0.828 18.588 1.00 35.29 N ATOM 0 H ARG A 97 20.454 -4.095 12.900 1.00 31.56 H new ATOM 0 HA ARG A 97 22.389 -4.084 13.939 1.00 31.87 H new ATOM 0 HB2 ARG A 97 20.726 -4.597 16.403 1.00 32.70 H new ATOM 0 HB3 ARG A 97 22.443 -4.247 16.435 1.00 32.70 H new ATOM 0 HG2 ARG A 97 21.847 -2.147 15.023 1.00 32.43 H new ATOM 0 HG3 ARG A 97 20.187 -2.462 15.491 1.00 32.43 H new ATOM 0 HD2 ARG A 97 20.944 -0.943 17.116 1.00 33.36 H new ATOM 0 HD3 ARG A 97 21.038 -2.495 17.925 1.00 33.36 H new ATOM 0 HE ARG A 97 23.564 -2.053 16.711 1.00 33.97 H new ATOM 0 HH11 ARG A 97 21.510 -0.677 19.234 1.00 35.00 H new ATOM 0 HH12 ARG A 97 22.871 -0.032 20.156 1.00 35.00 H new ATOM 0 HH21 ARG A 97 25.309 -1.190 17.891 1.00 35.29 H new ATOM 0 HH22 ARG A 97 25.012 -0.321 19.400 1.00 35.29 H new ATOM 1446 N THR A 98 22.780 -6.528 13.420 1.00 31.75 N ATOM 1447 CA THR A 98 23.409 -7.831 13.281 1.00 32.09 C ATOM 1448 C THR A 98 24.412 -7.787 12.125 1.00 31.35 C ATOM 1449 O THR A 98 24.417 -6.838 11.339 1.00 30.48 O ATOM 1450 CB THR A 98 22.349 -8.929 13.013 1.00 32.35 C ATOM 1451 OG1 THR A 98 22.921 -10.234 13.177 1.00 32.15 O ATOM 1452 CG2 THR A 98 21.793 -8.805 11.599 1.00 32.59 C ATOM 0 H THR A 98 22.784 -5.974 12.564 1.00 31.75 H new ATOM 0 HA THR A 98 23.925 -8.073 14.210 1.00 32.09 H new ATOM 0 HB THR A 98 21.542 -8.794 13.733 1.00 32.35 H new ATOM 0 HG1 THR A 98 22.237 -10.915 13.006 1.00 32.15 H new ATOM 0 HG21 THR A 98 21.050 -9.585 11.430 1.00 32.59 H new ATOM 0 HG22 THR A 98 21.327 -7.827 11.476 1.00 32.59 H new ATOM 0 HG23 THR A 98 22.604 -8.914 10.878 1.00 32.59 H new ATOM 1460 N THR A 99 25.276 -8.788 12.042 1.00 31.74 N ATOM 1461 CA THR A 99 26.255 -8.862 10.961 1.00 31.18 C ATOM 1462 C THR A 99 25.812 -9.899 9.925 1.00 31.15 C ATOM 1463 O THR A 99 25.249 -10.932 10.290 1.00 31.92 O ATOM 1464 CB THR A 99 27.665 -9.233 11.504 1.00 31.73 C ATOM 1465 OG1 THR A 99 27.544 -10.284 12.476 1.00 32.77 O ATOM 1466 CG2 THR A 99 28.364 -8.015 12.145 1.00 31.59 C ATOM 0 H THR A 99 25.321 -9.560 12.707 1.00 31.74 H new ATOM 0 HA THR A 99 26.316 -7.880 10.492 1.00 31.18 H new ATOM 0 HB THR A 99 28.273 -9.568 10.664 1.00 31.73 H new ATOM 0 HG1 THR A 99 28.433 -10.519 12.816 1.00 32.77 H new ATOM 0 HG21 THR A 99 29.346 -8.311 12.513 1.00 31.59 H new ATOM 0 HG22 THR A 99 28.478 -7.227 11.400 1.00 31.59 H new ATOM 0 HG23 THR A 99 27.762 -7.645 12.975 1.00 31.59 H new ATOM 1474 N THR A 100 26.043 -9.625 8.640 1.00 30.32 N ATOM 1475 CA THR A 100 25.634 -10.542 7.586 1.00 30.31 C ATOM 1476 C THR A 100 26.629 -10.489 6.425 1.00 29.79 C ATOM 1477 O THR A 100 27.188 -9.435 6.125 1.00 29.19 O ATOM 1478 CB THR A 100 24.196 -10.214 7.089 1.00 29.94 C ATOM 1479 OG1 THR A 100 23.684 -11.270 6.259 1.00 30.23 O ATOM 1480 CG2 THR A 100 24.160 -8.900 6.311 1.00 28.90 C ATOM 0 H THR A 100 26.509 -8.780 8.310 1.00 30.32 H new ATOM 0 HA THR A 100 25.625 -11.552 7.995 1.00 30.31 H new ATOM 0 HB THR A 100 23.568 -10.116 7.975 1.00 29.94 H new ATOM 0 HG1 THR A 100 22.779 -11.042 5.960 1.00 30.23 H new ATOM 0 HG21 THR A 100 23.141 -8.702 5.979 1.00 28.90 H new ATOM 0 HG22 THR A 100 24.497 -8.087 6.954 1.00 28.90 H new ATOM 0 HG23 THR A 100 24.817 -8.972 5.444 1.00 28.90 H new ATOM 1488 N PHE A 101 26.942 -11.638 5.853 1.00 30.11 N ATOM 1489 CA PHE A 101 27.849 -11.685 4.715 1.00 29.74 C ATOM 1490 C PHE A 101 27.054 -11.698 3.416 1.00 29.28 C ATOM 1491 O PHE A 101 26.509 -12.725 3.027 1.00 29.75 O ATOM 1492 CB PHE A 101 28.763 -12.915 4.789 1.00 30.55 C ATOM 1493 CG PHE A 101 29.890 -12.775 5.777 1.00 30.86 C ATOM 1494 CD1 PHE A 101 31.170 -12.445 5.349 1.00 30.67 C ATOM 1495 CD2 PHE A 101 29.676 -12.978 7.131 1.00 31.41 C ATOM 1496 CE1 PHE A 101 32.210 -12.320 6.257 1.00 31.03 C ATOM 1497 CE2 PHE A 101 30.711 -12.853 8.043 1.00 31.76 C ATOM 1498 CZ PHE A 101 31.979 -12.526 7.603 1.00 31.57 C ATOM 0 H PHE A 101 26.586 -12.546 6.153 1.00 30.11 H new ATOM 0 HA PHE A 101 28.477 -10.795 4.741 1.00 29.74 H new ATOM 0 HB2 PHE A 101 28.164 -13.786 5.056 1.00 30.55 H new ATOM 0 HB3 PHE A 101 29.180 -13.106 3.800 1.00 30.55 H new ATOM 0 HD1 PHE A 101 31.357 -12.284 4.298 1.00 30.67 H new ATOM 0 HD2 PHE A 101 28.688 -13.238 7.480 1.00 31.41 H new ATOM 0 HE1 PHE A 101 33.200 -12.062 5.912 1.00 31.03 H new ATOM 0 HE2 PHE A 101 30.527 -13.011 9.095 1.00 31.76 H new ATOM 0 HZ PHE A 101 32.789 -12.432 8.311 1.00 31.57 H new