USER MOD reduce.3.24.130724 H: found=0, std=0, add=1103, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1103 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 9 THR OG1 : rot 45:sc= -0.11 USER MOD Set 1.2: A 11 ASN : amide:sc= 0.119 K(o=0.0091,f=-5.4!) USER MOD Single : A 1 MET CE :methyl -152:sc= -0.503 (180deg=-1.49) USER MOD Single : A 1 MET N :NH3+ 142:sc= 0.035 (180deg=0.00841) USER MOD Single : A 2 LYS NZ :NH3+ 178:sc= 0.527 (180deg=0.521) USER MOD Single : A 8 ASN : amide:sc= -0.022 K(o=-0.022,f=-1.3) USER MOD Single : A 10 ASN : amide:sc= 0.129 K(o=0.13,f=-0.39) USER MOD Single : A 16 LYS NZ :NH3+ -108:sc= 0.333 (180deg=-0.16) USER MOD Single : A 17 LYS NZ :NH3+ 150:sc= 1.01 (180deg=0.402) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 174:sc= 0.00121 (180deg=0.000187) USER MOD Single : A 24 ASN : amide:sc= 0.634 K(o=0.63,f=0) USER MOD Single : A 25 GLN : amide:sc= -0.0558 X(o=-0.056,f=-0.0035) USER MOD Single : A 27 TYR OH : rot 30:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 ASN : amide:sc= -0.0591 X(o=-0.059,f=-0.0015) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -164:sc= -1.06 (180deg=-1.94!) USER MOD Single : A 40 LYS NZ :NH3+ -147:sc= 0.384 (180deg=-0.326) USER MOD Single : A 42 MET CE :methyl -171:sc= -1.82 (180deg=-2.37) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -132:sc= 0.728 (180deg=-0.364) USER MOD Single : A 50 ASN : amide:sc= -0.136 K(o=-0.14,f=-4.9!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= -1.56 (180deg=-1.56) USER MOD Single : A 57 LYS NZ :NH3+ -129:sc= 0.473 (180deg=0) USER MOD Single : A 58 SER OG : rot 65:sc= 0.103 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 154:sc= 0.735 (180deg=0.432) USER MOD Single : A 62 GLN : amide:sc= -0.176 K(o=-0.18,f=-3.1!) USER MOD Single : A 65 LYS NZ :NH3+ 170:sc= 0.203 (180deg=0.155) USER MOD Single : A 67 MET CE :methyl -128:sc= -1.06 (180deg=-2.68!) USER MOD Single : A 72 SER OG : rot -56:sc= 0.0952 USER MOD Single : A 73 LYS NZ :NH3+ -167:sc= -0.0197 (180deg=-0.236) USER MOD Single : A 76 TYR OH : rot -164:sc= -0.321 USER MOD Single : A 77 LYS NZ :NH3+ -167:sc=-0.00775 (180deg=-0.146) USER MOD Single : A 85 GLN : amide:sc= -0.83 K(o=-0.83,f=0) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 142:sc= 0.502 (180deg=-0.478) USER MOD Single : A 96 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0236) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.581 K(o=-0.58,f=-2.7) USER MOD Single : A 102 TYR OH : rot 30:sc= -0.466 USER MOD Single : A 106 LYS NZ :NH3+ -164:sc= 0.978 (180deg=0.558) USER MOD Single : A 108 THR OG1 : rot 71:sc= 0.115 USER MOD Single : A 115 LYS NZ :NH3+ -147:sc= 0.422 (180deg=0.0589) USER MOD Single : A 121 MET CE :methyl 163:sc= -0.316 (180deg=-0.553) USER MOD Single : A 122 GLN : amide:sc= -0.06 X(o=-0.06,f=-0.15) USER MOD Single : A 123 LYS NZ :NH3+ -175:sc= -0.029 (180deg=-0.0499) USER MOD Single : A 126 SER OG : rot -9:sc= 0.662 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.570 9.762 14.199 1.00 4.01 N ATOM 2 CA MET A 1 3.953 9.552 12.869 1.00 24.14 C ATOM 3 C MET A 1 4.184 8.107 12.408 1.00 23.41 C ATOM 4 O MET A 1 5.244 7.540 12.669 1.00 60.15 O ATOM 5 CB MET A 1 4.531 10.551 11.834 1.00 3.44 C ATOM 6 CG MET A 1 4.045 10.329 10.396 1.00 3.54 C ATOM 7 SD MET A 1 4.713 11.520 9.230 1.00 12.32 S ATOM 8 CE MET A 1 3.995 10.920 7.705 1.00 44.52 C ATOM 0 H1 MET A 1 4.990 10.713 14.241 1.00 4.01 H new ATOM 0 H2 MET A 1 3.843 9.672 14.937 1.00 4.01 H new ATOM 0 H3 MET A 1 5.311 9.049 14.354 1.00 4.01 H new ATOM 0 HA MET A 1 2.881 9.730 12.949 1.00 24.14 H new ATOM 0 HB2 MET A 1 4.270 11.564 12.140 1.00 3.44 H new ATOM 0 HB3 MET A 1 5.619 10.484 11.851 1.00 3.44 H new ATOM 0 HG2 MET A 1 4.322 9.324 10.077 1.00 3.54 H new ATOM 0 HG3 MET A 1 2.956 10.382 10.375 1.00 3.54 H new ATOM 0 HE1 MET A 1 4.644 11.183 6.869 1.00 44.52 H new ATOM 0 HE2 MET A 1 3.888 9.836 7.755 1.00 44.52 H new ATOM 0 HE3 MET A 1 3.015 11.375 7.561 1.00 44.52 H new ATOM 20 N LYS A 2 3.198 7.536 11.692 1.00 73.12 N ATOM 21 CA LYS A 2 3.232 6.134 11.241 1.00 20.32 C ATOM 22 C LYS A 2 3.367 6.082 9.703 1.00 52.23 C ATOM 23 O LYS A 2 2.899 6.990 9.008 1.00 25.11 O ATOM 24 CB LYS A 2 1.945 5.409 11.729 1.00 34.53 C ATOM 25 CG LYS A 2 2.140 3.915 12.029 1.00 31.04 C ATOM 26 CD LYS A 2 0.887 3.278 12.664 1.00 71.10 C ATOM 27 CE LYS A 2 1.196 1.948 13.361 1.00 41.00 C ATOM 28 NZ LYS A 2 2.092 2.122 14.542 1.00 74.11 N ATOM 0 H LYS A 2 2.354 8.035 11.410 1.00 73.12 H new ATOM 0 HA LYS A 2 4.095 5.622 11.666 1.00 20.32 H new ATOM 0 HB2 LYS A 2 1.581 5.905 12.629 1.00 34.53 H new ATOM 0 HB3 LYS A 2 1.170 5.518 10.970 1.00 34.53 H new ATOM 0 HG2 LYS A 2 2.384 3.390 11.105 1.00 31.04 H new ATOM 0 HG3 LYS A 2 2.989 3.789 12.701 1.00 31.04 H new ATOM 0 HD2 LYS A 2 0.456 3.972 13.386 1.00 71.10 H new ATOM 0 HD3 LYS A 2 0.135 3.114 11.892 1.00 71.10 H new ATOM 0 HE2 LYS A 2 0.264 1.483 13.681 1.00 41.00 H new ATOM 0 HE3 LYS A 2 1.664 1.268 12.650 1.00 41.00 H new ATOM 0 HZ1 LYS A 2 2.245 1.201 15.000 1.00 74.11 H new ATOM 0 HZ2 LYS A 2 3.005 2.510 14.231 1.00 74.11 H new ATOM 0 HZ3 LYS A 2 1.651 2.776 15.219 1.00 74.11 H new ATOM 42 N ILE A 3 4.023 5.023 9.191 1.00 71.54 N ATOM 43 CA ILE A 3 4.260 4.825 7.746 1.00 52.41 C ATOM 44 C ILE A 3 3.520 3.563 7.279 1.00 35.52 C ATOM 45 O ILE A 3 3.694 2.490 7.865 1.00 24.12 O ATOM 46 CB ILE A 3 5.789 4.644 7.431 1.00 31.51 C ATOM 47 CG1 ILE A 3 6.631 5.836 7.986 1.00 24.42 C ATOM 48 CG2 ILE A 3 6.023 4.455 5.906 1.00 13.42 C ATOM 49 CD1 ILE A 3 8.130 5.651 7.835 1.00 52.11 C ATOM 0 H ILE A 3 4.406 4.276 9.771 1.00 71.54 H new ATOM 0 HA ILE A 3 3.896 5.710 7.224 1.00 52.41 H new ATOM 0 HB ILE A 3 6.127 3.740 7.938 1.00 31.51 H new ATOM 0 HG12 ILE A 3 6.334 6.749 7.471 1.00 24.42 H new ATOM 0 HG13 ILE A 3 6.396 5.974 9.041 1.00 24.42 H new ATOM 0 HG21 ILE A 3 7.089 4.332 5.714 1.00 13.42 H new ATOM 0 HG22 ILE A 3 5.488 3.570 5.563 1.00 13.42 H new ATOM 0 HG23 ILE A 3 5.657 5.331 5.370 1.00 13.42 H new ATOM 0 HD11 ILE A 3 8.647 6.520 8.243 1.00 52.11 H new ATOM 0 HD12 ILE A 3 8.442 4.757 8.374 1.00 52.11 H new ATOM 0 HD13 ILE A 3 8.379 5.544 6.779 1.00 52.11 H new ATOM 61 N LEU A 4 2.674 3.701 6.246 1.00 1.01 N ATOM 62 CA LEU A 4 2.007 2.558 5.587 1.00 15.11 C ATOM 63 C LEU A 4 2.315 2.579 4.083 1.00 25.34 C ATOM 64 O LEU A 4 2.340 3.642 3.458 1.00 73.31 O ATOM 65 CB LEU A 4 0.462 2.563 5.822 1.00 52.10 C ATOM 66 CG LEU A 4 -0.052 1.883 7.141 1.00 21.12 C ATOM 67 CD1 LEU A 4 0.361 2.654 8.418 1.00 54.15 C ATOM 68 CD2 LEU A 4 -1.574 1.663 7.074 1.00 44.33 C ATOM 0 H LEU A 4 2.431 4.605 5.842 1.00 1.01 H new ATOM 0 HA LEU A 4 2.397 1.642 6.031 1.00 15.11 H new ATOM 0 HB2 LEU A 4 0.120 3.598 5.817 1.00 52.10 H new ATOM 0 HB3 LEU A 4 -0.013 2.067 4.976 1.00 52.10 H new ATOM 0 HG LEU A 4 0.435 0.910 7.213 1.00 21.12 H new ATOM 0 HD11 LEU A 4 -0.023 2.135 9.296 1.00 54.15 H new ATOM 0 HD12 LEU A 4 1.448 2.708 8.475 1.00 54.15 H new ATOM 0 HD13 LEU A 4 -0.051 3.663 8.383 1.00 54.15 H new ATOM 0 HD21 LEU A 4 -1.914 1.191 7.996 1.00 44.33 H new ATOM 0 HD22 LEU A 4 -2.075 2.623 6.951 1.00 44.33 H new ATOM 0 HD23 LEU A 4 -1.812 1.019 6.227 1.00 44.33 H new ATOM 80 N ILE A 5 2.588 1.392 3.524 1.00 74.03 N ATOM 81 CA ILE A 5 2.680 1.175 2.077 1.00 15.10 C ATOM 82 C ILE A 5 1.657 0.086 1.708 1.00 12.41 C ATOM 83 O ILE A 5 1.819 -1.071 2.093 1.00 72.32 O ATOM 84 CB ILE A 5 4.131 0.754 1.608 1.00 31.30 C ATOM 85 CG1 ILE A 5 5.194 1.811 2.061 1.00 40.43 C ATOM 86 CG2 ILE A 5 4.179 0.536 0.066 1.00 11.53 C ATOM 87 CD1 ILE A 5 6.629 1.506 1.650 1.00 71.13 C ATOM 0 H ILE A 5 2.753 0.547 4.072 1.00 74.03 H new ATOM 0 HA ILE A 5 2.464 2.113 1.565 1.00 15.10 H new ATOM 0 HB ILE A 5 4.377 -0.194 2.086 1.00 31.30 H new ATOM 0 HG12 ILE A 5 4.915 2.782 1.652 1.00 40.43 H new ATOM 0 HG13 ILE A 5 5.155 1.899 3.147 1.00 40.43 H new ATOM 0 HG21 ILE A 5 5.188 0.247 -0.229 1.00 11.53 H new ATOM 0 HG22 ILE A 5 3.480 -0.253 -0.212 1.00 11.53 H new ATOM 0 HG23 ILE A 5 3.903 1.461 -0.441 1.00 11.53 H new ATOM 0 HD11 ILE A 5 7.287 2.297 2.011 1.00 71.13 H new ATOM 0 HD12 ILE A 5 6.936 0.553 2.081 1.00 71.13 H new ATOM 0 HD13 ILE A 5 6.692 1.450 0.563 1.00 71.13 H new ATOM 99 N LEU A 6 0.608 0.471 0.968 1.00 41.13 N ATOM 100 CA LEU A 6 -0.478 -0.432 0.569 1.00 14.14 C ATOM 101 C LEU A 6 -0.088 -1.147 -0.727 1.00 21.31 C ATOM 102 O LEU A 6 0.420 -0.524 -1.666 1.00 22.52 O ATOM 103 CB LEU A 6 -1.789 0.361 0.322 1.00 53.44 C ATOM 104 CG LEU A 6 -2.320 1.225 1.495 1.00 30.23 C ATOM 105 CD1 LEU A 6 -3.612 1.967 1.110 1.00 33.40 C ATOM 106 CD2 LEU A 6 -2.520 0.397 2.771 1.00 42.00 C ATOM 0 H LEU A 6 0.489 1.425 0.627 1.00 41.13 H new ATOM 0 HA LEU A 6 -0.642 -1.152 1.371 1.00 14.14 H new ATOM 0 HB2 LEU A 6 -1.633 1.014 -0.537 1.00 53.44 H new ATOM 0 HB3 LEU A 6 -2.568 -0.350 0.045 1.00 53.44 H new ATOM 0 HG LEU A 6 -1.556 1.973 1.708 1.00 30.23 H new ATOM 0 HD11 LEU A 6 -3.955 2.562 1.956 1.00 33.40 H new ATOM 0 HD12 LEU A 6 -3.416 2.622 0.261 1.00 33.40 H new ATOM 0 HD13 LEU A 6 -4.381 1.243 0.840 1.00 33.40 H new ATOM 0 HD21 LEU A 6 -2.893 1.041 3.568 1.00 42.00 H new ATOM 0 HD22 LEU A 6 -3.241 -0.398 2.580 1.00 42.00 H new ATOM 0 HD23 LEU A 6 -1.569 -0.041 3.073 1.00 42.00 H new ATOM 118 N ILE A 7 -0.323 -2.457 -0.751 1.00 63.10 N ATOM 119 CA ILE A 7 -0.061 -3.317 -1.913 1.00 64.42 C ATOM 120 C ILE A 7 -1.366 -4.025 -2.289 1.00 53.51 C ATOM 121 O ILE A 7 -1.961 -4.715 -1.447 1.00 3.31 O ATOM 122 CB ILE A 7 1.049 -4.400 -1.611 1.00 14.11 C ATOM 123 CG1 ILE A 7 2.400 -3.733 -1.179 1.00 5.54 C ATOM 124 CG2 ILE A 7 1.257 -5.351 -2.823 1.00 34.15 C ATOM 125 CD1 ILE A 7 3.051 -2.842 -2.226 1.00 20.22 C ATOM 0 H ILE A 7 -0.707 -2.963 0.047 1.00 63.10 H new ATOM 0 HA ILE A 7 0.303 -2.693 -2.730 1.00 64.42 H new ATOM 0 HB ILE A 7 0.696 -5.002 -0.773 1.00 14.11 H new ATOM 0 HG12 ILE A 7 2.223 -3.140 -0.282 1.00 5.54 H new ATOM 0 HG13 ILE A 7 3.104 -4.520 -0.907 1.00 5.54 H new ATOM 0 HG21 ILE A 7 2.027 -6.084 -2.582 1.00 34.15 H new ATOM 0 HG22 ILE A 7 0.323 -5.866 -3.046 1.00 34.15 H new ATOM 0 HG23 ILE A 7 1.567 -4.771 -3.692 1.00 34.15 H new ATOM 0 HD11 ILE A 7 3.978 -2.430 -1.828 1.00 20.22 H new ATOM 0 HD12 ILE A 7 3.268 -3.429 -3.119 1.00 20.22 H new ATOM 0 HD13 ILE A 7 2.373 -2.028 -2.483 1.00 20.22 H new ATOM 137 N ASN A 8 -1.814 -3.833 -3.538 1.00 15.31 N ATOM 138 CA ASN A 8 -2.943 -4.579 -4.102 1.00 4.41 C ATOM 139 C ASN A 8 -2.536 -5.094 -5.487 1.00 60.31 C ATOM 140 O ASN A 8 -2.463 -4.322 -6.457 1.00 10.12 O ATOM 141 CB ASN A 8 -4.209 -3.692 -4.194 1.00 51.02 C ATOM 142 CG ASN A 8 -5.449 -4.452 -4.674 1.00 62.44 C ATOM 143 OD1 ASN A 8 -5.614 -5.630 -4.395 1.00 73.54 O ATOM 144 ND2 ASN A 8 -6.320 -3.786 -5.399 1.00 45.45 N ATOM 0 H ASN A 8 -1.404 -3.157 -4.183 1.00 15.31 H new ATOM 0 HA ASN A 8 -3.188 -5.418 -3.451 1.00 4.41 H new ATOM 0 HB2 ASN A 8 -4.413 -3.260 -3.214 1.00 51.02 H new ATOM 0 HB3 ASN A 8 -4.014 -2.863 -4.874 1.00 51.02 H new ATOM 0 HD21 ASN A 8 -7.159 -4.252 -5.744 1.00 45.45 H new ATOM 0 HD22 ASN A 8 -6.157 -2.803 -5.617 1.00 45.45 H new ATOM 151 N THR A 9 -2.235 -6.396 -5.562 1.00 70.33 N ATOM 152 CA THR A 9 -1.897 -7.075 -6.818 1.00 33.20 C ATOM 153 C THR A 9 -2.756 -8.327 -6.988 1.00 44.24 C ATOM 154 O THR A 9 -3.089 -9.011 -6.008 1.00 22.12 O ATOM 155 CB THR A 9 -0.375 -7.419 -6.927 1.00 11.52 C ATOM 156 OG1 THR A 9 -0.109 -8.184 -8.123 1.00 14.11 O ATOM 157 CG2 THR A 9 0.151 -8.167 -5.705 1.00 53.40 C ATOM 0 H THR A 9 -2.219 -7.011 -4.748 1.00 70.33 H new ATOM 0 HA THR A 9 -2.114 -6.381 -7.630 1.00 33.20 H new ATOM 0 HB THR A 9 0.154 -6.467 -6.977 1.00 11.52 H new ATOM 0 HG1 THR A 9 -0.582 -7.781 -8.881 1.00 14.11 H new ATOM 0 HG21 THR A 9 1.212 -8.379 -5.837 1.00 53.40 H new ATOM 0 HG22 THR A 9 0.011 -7.553 -4.815 1.00 53.40 H new ATOM 0 HG23 THR A 9 -0.394 -9.104 -5.589 1.00 53.40 H new ATOM 165 N ASN A 10 -3.132 -8.597 -8.247 1.00 62.03 N ATOM 166 CA ASN A 10 -4.033 -9.707 -8.605 1.00 34.45 C ATOM 167 C ASN A 10 -3.268 -11.045 -8.671 1.00 73.30 C ATOM 168 O ASN A 10 -3.885 -12.114 -8.653 1.00 61.03 O ATOM 169 CB ASN A 10 -4.745 -9.394 -9.948 1.00 61.13 C ATOM 170 CG ASN A 10 -5.862 -10.387 -10.335 1.00 52.11 C ATOM 171 OD1 ASN A 10 -6.502 -11.008 -9.489 1.00 31.42 O ATOM 172 ND2 ASN A 10 -6.128 -10.498 -11.626 1.00 63.41 N ATOM 0 H ASN A 10 -2.820 -8.051 -9.050 1.00 62.03 H new ATOM 0 HA ASN A 10 -4.790 -9.809 -7.828 1.00 34.45 H new ATOM 0 HB2 ASN A 10 -5.172 -8.393 -9.892 1.00 61.13 H new ATOM 0 HB3 ASN A 10 -4.000 -9.379 -10.743 1.00 61.13 H new ATOM 0 HD21 ASN A 10 -6.880 -11.111 -11.941 1.00 63.41 H new ATOM 0 HD22 ASN A 10 -5.581 -9.971 -12.307 1.00 63.41 H new ATOM 179 N ASN A 11 -1.919 -10.995 -8.730 1.00 75.41 N ATOM 180 CA ASN A 11 -1.082 -12.216 -8.733 1.00 65.23 C ATOM 181 C ASN A 11 -0.363 -12.337 -7.368 1.00 23.25 C ATOM 182 O ASN A 11 0.267 -11.384 -6.887 1.00 1.15 O ATOM 183 CB ASN A 11 -0.097 -12.227 -9.948 1.00 35.34 C ATOM 184 CG ASN A 11 1.107 -11.300 -9.811 1.00 60.23 C ATOM 185 OD1 ASN A 11 2.174 -11.732 -9.392 1.00 1.53 O ATOM 186 ND2 ASN A 11 0.947 -10.027 -10.143 1.00 40.04 N ATOM 0 H ASN A 11 -1.388 -10.126 -8.776 1.00 75.41 H new ATOM 0 HA ASN A 11 -1.712 -13.096 -8.861 1.00 65.23 H new ATOM 0 HB2 ASN A 11 0.263 -13.245 -10.096 1.00 35.34 H new ATOM 0 HB3 ASN A 11 -0.649 -11.951 -10.846 1.00 35.34 H new ATOM 0 HD21 ASN A 11 1.726 -9.375 -10.053 1.00 40.04 H new ATOM 0 HD22 ASN A 11 0.045 -9.700 -10.489 1.00 40.04 H new ATOM 193 N ASP A 12 -0.508 -13.513 -6.743 1.00 34.20 N ATOM 194 CA ASP A 12 0.024 -13.819 -5.398 1.00 45.20 C ATOM 195 C ASP A 12 1.564 -13.980 -5.412 1.00 53.33 C ATOM 196 O ASP A 12 2.230 -13.791 -4.384 1.00 2.34 O ATOM 197 CB ASP A 12 -0.680 -15.103 -4.868 1.00 30.12 C ATOM 198 CG ASP A 12 -0.138 -15.593 -3.514 1.00 53.23 C ATOM 199 OD1 ASP A 12 -0.409 -14.944 -2.487 1.00 31.42 O ATOM 200 OD2 ASP A 12 0.568 -16.625 -3.476 1.00 12.54 O ATOM 0 H ASP A 12 -1.008 -14.297 -7.162 1.00 34.20 H new ATOM 0 HA ASP A 12 -0.187 -12.985 -4.729 1.00 45.20 H new ATOM 0 HB2 ASP A 12 -1.748 -14.908 -4.772 1.00 30.12 H new ATOM 0 HB3 ASP A 12 -0.566 -15.899 -5.604 1.00 30.12 H new ATOM 205 N GLU A 13 2.103 -14.303 -6.601 1.00 50.12 N ATOM 206 CA GLU A 13 3.548 -14.537 -6.823 1.00 5.44 C ATOM 207 C GLU A 13 4.360 -13.274 -6.483 1.00 64.41 C ATOM 208 O GLU A 13 5.391 -13.345 -5.812 1.00 64.15 O ATOM 209 CB GLU A 13 3.784 -14.935 -8.303 1.00 51.13 C ATOM 210 CG GLU A 13 2.856 -16.060 -8.811 1.00 40.13 C ATOM 211 CD GLU A 13 3.004 -16.357 -10.314 1.00 42.05 C ATOM 212 OE1 GLU A 13 3.199 -15.407 -11.105 1.00 64.14 O ATOM 213 OE2 GLU A 13 2.913 -17.538 -10.712 1.00 11.42 O ATOM 0 H GLU A 13 1.544 -14.411 -7.447 1.00 50.12 H new ATOM 0 HA GLU A 13 3.880 -15.344 -6.170 1.00 5.44 H new ATOM 0 HB2 GLU A 13 3.647 -14.055 -8.931 1.00 51.13 H new ATOM 0 HB3 GLU A 13 4.820 -15.252 -8.422 1.00 51.13 H new ATOM 0 HG2 GLU A 13 3.063 -16.970 -8.248 1.00 40.13 H new ATOM 0 HG3 GLU A 13 1.821 -15.786 -8.605 1.00 40.13 H new ATOM 220 N LEU A 14 3.833 -12.122 -6.941 1.00 50.11 N ATOM 221 CA LEU A 14 4.440 -10.802 -6.741 1.00 5.12 C ATOM 222 C LEU A 14 4.486 -10.423 -5.251 1.00 20.54 C ATOM 223 O LEU A 14 5.489 -9.870 -4.795 1.00 3.23 O ATOM 224 CB LEU A 14 3.657 -9.737 -7.548 1.00 1.21 C ATOM 225 CG LEU A 14 4.120 -8.258 -7.382 1.00 73.42 C ATOM 226 CD1 LEU A 14 5.625 -8.093 -7.674 1.00 41.42 C ATOM 227 CD2 LEU A 14 3.262 -7.319 -8.252 1.00 15.22 C ATOM 0 H LEU A 14 2.960 -12.087 -7.468 1.00 50.11 H new ATOM 0 HA LEU A 14 5.468 -10.841 -7.101 1.00 5.12 H new ATOM 0 HB2 LEU A 14 3.718 -9.997 -8.605 1.00 1.21 H new ATOM 0 HB3 LEU A 14 2.606 -9.799 -7.265 1.00 1.21 H new ATOM 0 HG LEU A 14 3.972 -7.976 -6.340 1.00 73.42 H new ATOM 0 HD11 LEU A 14 5.908 -7.048 -7.547 1.00 41.42 H new ATOM 0 HD12 LEU A 14 6.199 -8.711 -6.984 1.00 41.42 H new ATOM 0 HD13 LEU A 14 5.833 -8.404 -8.698 1.00 41.42 H new ATOM 0 HD21 LEU A 14 3.601 -6.291 -8.122 1.00 15.22 H new ATOM 0 HD22 LEU A 14 3.360 -7.603 -9.300 1.00 15.22 H new ATOM 0 HD23 LEU A 14 2.217 -7.397 -7.951 1.00 15.22 H new ATOM 239 N ILE A 15 3.393 -10.738 -4.514 1.00 73.44 N ATOM 240 CA ILE A 15 3.265 -10.450 -3.068 1.00 23.35 C ATOM 241 C ILE A 15 4.468 -11.003 -2.297 1.00 10.25 C ATOM 242 O ILE A 15 5.102 -10.279 -1.530 1.00 42.32 O ATOM 243 CB ILE A 15 1.941 -11.073 -2.475 1.00 30.55 C ATOM 244 CG1 ILE A 15 0.697 -10.456 -3.180 1.00 42.44 C ATOM 245 CG2 ILE A 15 1.869 -10.912 -0.937 1.00 23.31 C ATOM 246 CD1 ILE A 15 -0.646 -11.037 -2.782 1.00 53.30 C ATOM 0 H ILE A 15 2.574 -11.200 -4.909 1.00 73.44 H new ATOM 0 HA ILE A 15 3.227 -9.366 -2.956 1.00 23.35 H new ATOM 0 HB ILE A 15 1.949 -12.145 -2.673 1.00 30.55 H new ATOM 0 HG12 ILE A 15 0.682 -9.385 -2.977 1.00 42.44 H new ATOM 0 HG13 ILE A 15 0.818 -10.575 -4.257 1.00 42.44 H new ATOM 0 HG21 ILE A 15 0.943 -11.353 -0.568 1.00 23.31 H new ATOM 0 HG22 ILE A 15 2.720 -11.416 -0.478 1.00 23.31 H new ATOM 0 HG23 ILE A 15 1.893 -9.853 -0.680 1.00 23.31 H new ATOM 0 HD11 ILE A 15 -1.439 -10.533 -3.335 1.00 53.30 H new ATOM 0 HD12 ILE A 15 -0.664 -12.102 -3.012 1.00 53.30 H new ATOM 0 HD13 ILE A 15 -0.802 -10.894 -1.713 1.00 53.30 H new ATOM 258 N LYS A 16 4.773 -12.285 -2.563 1.00 25.25 N ATOM 259 CA LYS A 16 5.863 -13.029 -1.906 1.00 11.12 C ATOM 260 C LYS A 16 7.209 -12.318 -2.089 1.00 23.05 C ATOM 261 O LYS A 16 7.990 -12.199 -1.144 1.00 50.21 O ATOM 262 CB LYS A 16 5.927 -14.474 -2.476 1.00 12.32 C ATOM 263 CG LYS A 16 4.592 -15.234 -2.382 1.00 72.14 C ATOM 264 CD LYS A 16 4.084 -15.398 -0.925 1.00 22.40 C ATOM 265 CE LYS A 16 2.711 -16.079 -0.863 1.00 40.41 C ATOM 266 NZ LYS A 16 2.720 -17.405 -1.535 1.00 53.31 N ATOM 0 H LYS A 16 4.263 -12.841 -3.249 1.00 25.25 H new ATOM 0 HA LYS A 16 5.657 -13.074 -0.837 1.00 11.12 H new ATOM 0 HB2 LYS A 16 6.238 -14.430 -3.520 1.00 12.32 H new ATOM 0 HB3 LYS A 16 6.693 -15.034 -1.939 1.00 12.32 H new ATOM 0 HG2 LYS A 16 3.838 -14.705 -2.965 1.00 72.14 H new ATOM 0 HG3 LYS A 16 4.710 -16.220 -2.832 1.00 72.14 H new ATOM 0 HD2 LYS A 16 4.804 -15.984 -0.355 1.00 22.40 H new ATOM 0 HD3 LYS A 16 4.024 -14.418 -0.451 1.00 22.40 H new ATOM 0 HE2 LYS A 16 2.413 -16.202 0.178 1.00 40.41 H new ATOM 0 HE3 LYS A 16 1.966 -15.438 -1.334 1.00 40.41 H new ATOM 0 HZ1 LYS A 16 2.191 -17.345 -2.429 1.00 53.31 H new ATOM 0 HZ2 LYS A 16 3.701 -17.688 -1.732 1.00 53.31 H new ATOM 0 HZ3 LYS A 16 2.274 -18.111 -0.916 1.00 53.31 H new ATOM 280 N LYS A 17 7.426 -11.806 -3.314 1.00 5.13 N ATOM 281 CA LYS A 17 8.670 -11.134 -3.702 1.00 42.14 C ATOM 282 C LYS A 17 8.787 -9.754 -3.017 1.00 24.13 C ATOM 283 O LYS A 17 9.850 -9.419 -2.490 1.00 74.32 O ATOM 284 CB LYS A 17 8.750 -11.001 -5.243 1.00 53.05 C ATOM 285 CG LYS A 17 8.523 -12.330 -5.999 1.00 33.42 C ATOM 286 CD LYS A 17 8.771 -12.218 -7.523 1.00 61.10 C ATOM 287 CE LYS A 17 10.257 -12.005 -7.860 1.00 34.51 C ATOM 288 NZ LYS A 17 10.488 -11.921 -9.315 1.00 13.33 N ATOM 0 H LYS A 17 6.736 -11.849 -4.064 1.00 5.13 H new ATOM 0 HA LYS A 17 9.511 -11.741 -3.367 1.00 42.14 H new ATOM 0 HB2 LYS A 17 8.008 -10.275 -5.574 1.00 53.05 H new ATOM 0 HB3 LYS A 17 9.728 -10.603 -5.513 1.00 53.05 H new ATOM 0 HG2 LYS A 17 9.183 -13.092 -5.586 1.00 33.42 H new ATOM 0 HG3 LYS A 17 7.501 -12.667 -5.828 1.00 33.42 H new ATOM 0 HD2 LYS A 17 8.416 -13.124 -8.014 1.00 61.10 H new ATOM 0 HD3 LYS A 17 8.188 -11.389 -7.924 1.00 61.10 H new ATOM 0 HE2 LYS A 17 10.609 -11.090 -7.384 1.00 34.51 H new ATOM 0 HE3 LYS A 17 10.844 -12.825 -7.447 1.00 34.51 H new ATOM 0 HZ1 LYS A 17 11.308 -11.309 -9.502 1.00 13.33 H new ATOM 0 HZ2 LYS A 17 10.673 -12.872 -9.693 1.00 13.33 H new ATOM 0 HZ3 LYS A 17 9.646 -11.523 -9.778 1.00 13.33 H new ATOM 302 N ILE A 18 7.664 -8.984 -3.008 1.00 74.21 N ATOM 303 CA ILE A 18 7.588 -7.637 -2.376 1.00 12.42 C ATOM 304 C ILE A 18 7.912 -7.736 -0.874 1.00 54.00 C ATOM 305 O ILE A 18 8.624 -6.880 -0.319 1.00 21.32 O ATOM 306 CB ILE A 18 6.162 -6.968 -2.579 1.00 12.44 C ATOM 307 CG1 ILE A 18 5.882 -6.692 -4.091 1.00 11.22 C ATOM 308 CG2 ILE A 18 6.000 -5.666 -1.744 1.00 32.31 C ATOM 309 CD1 ILE A 18 4.537 -6.044 -4.397 1.00 44.30 C ATOM 0 H ILE A 18 6.788 -9.279 -3.438 1.00 74.21 H new ATOM 0 HA ILE A 18 8.326 -7.003 -2.867 1.00 12.42 H new ATOM 0 HB ILE A 18 5.423 -7.681 -2.214 1.00 12.44 H new ATOM 0 HG12 ILE A 18 6.673 -6.050 -4.478 1.00 11.22 H new ATOM 0 HG13 ILE A 18 5.944 -7.636 -4.633 1.00 11.22 H new ATOM 0 HG21 ILE A 18 5.009 -5.245 -1.915 1.00 32.31 H new ATOM 0 HG22 ILE A 18 6.118 -5.896 -0.685 1.00 32.31 H new ATOM 0 HG23 ILE A 18 6.759 -4.944 -2.045 1.00 32.31 H new ATOM 0 HD11 ILE A 18 4.441 -5.895 -5.473 1.00 44.30 H new ATOM 0 HD12 ILE A 18 3.733 -6.692 -4.047 1.00 44.30 H new ATOM 0 HD13 ILE A 18 4.473 -5.081 -3.890 1.00 44.30 H new ATOM 321 N LYS A 19 7.394 -8.811 -0.245 1.00 50.11 N ATOM 322 CA LYS A 19 7.646 -9.110 1.165 1.00 70.13 C ATOM 323 C LYS A 19 9.147 -9.274 1.414 1.00 33.55 C ATOM 324 O LYS A 19 9.680 -8.632 2.298 1.00 71.22 O ATOM 325 CB LYS A 19 6.878 -10.377 1.607 1.00 11.33 C ATOM 326 CG LYS A 19 5.342 -10.220 1.617 1.00 70.12 C ATOM 327 CD LYS A 19 4.627 -11.519 2.042 1.00 63.42 C ATOM 328 CE LYS A 19 5.025 -11.965 3.460 1.00 51.42 C ATOM 329 NZ LYS A 19 4.435 -13.276 3.812 1.00 74.41 N ATOM 0 H LYS A 19 6.790 -9.491 -0.707 1.00 50.11 H new ATOM 0 HA LYS A 19 7.284 -8.273 1.762 1.00 70.13 H new ATOM 0 HB2 LYS A 19 7.143 -11.198 0.941 1.00 11.33 H new ATOM 0 HB3 LYS A 19 7.209 -10.658 2.607 1.00 11.33 H new ATOM 0 HG2 LYS A 19 5.065 -9.415 2.298 1.00 70.12 H new ATOM 0 HG3 LYS A 19 5.002 -9.928 0.623 1.00 70.12 H new ATOM 0 HD2 LYS A 19 3.548 -11.368 2.000 1.00 63.42 H new ATOM 0 HD3 LYS A 19 4.866 -12.312 1.333 1.00 63.42 H new ATOM 0 HE2 LYS A 19 6.111 -12.025 3.530 1.00 51.42 H new ATOM 0 HE3 LYS A 19 4.700 -11.215 4.181 1.00 51.42 H new ATOM 0 HZ1 LYS A 19 4.727 -13.541 4.774 1.00 74.41 H new ATOM 0 HZ2 LYS A 19 3.398 -13.212 3.770 1.00 74.41 H new ATOM 0 HZ3 LYS A 19 4.765 -13.997 3.139 1.00 74.41 H new ATOM 343 N LYS A 20 9.828 -10.083 0.576 1.00 41.21 N ATOM 344 CA LYS A 20 11.275 -10.365 0.743 1.00 74.21 C ATOM 345 C LYS A 20 12.128 -9.090 0.581 1.00 35.03 C ATOM 346 O LYS A 20 13.119 -8.915 1.299 1.00 14.31 O ATOM 347 CB LYS A 20 11.732 -11.486 -0.231 1.00 40.31 C ATOM 348 CG LYS A 20 10.993 -12.829 -0.020 1.00 31.23 C ATOM 349 CD LYS A 20 11.069 -13.328 1.449 1.00 53.52 C ATOM 350 CE LYS A 20 10.229 -14.581 1.702 1.00 61.42 C ATOM 351 NZ LYS A 20 10.209 -14.934 3.139 1.00 12.05 N ATOM 0 H LYS A 20 9.403 -10.553 -0.223 1.00 41.21 H new ATOM 0 HA LYS A 20 11.430 -10.721 1.762 1.00 74.21 H new ATOM 0 HB2 LYS A 20 11.575 -11.151 -1.256 1.00 40.31 H new ATOM 0 HB3 LYS A 20 12.803 -11.647 -0.109 1.00 40.31 H new ATOM 0 HG2 LYS A 20 9.948 -12.713 -0.307 1.00 31.23 H new ATOM 0 HG3 LYS A 20 11.423 -13.583 -0.679 1.00 31.23 H new ATOM 0 HD2 LYS A 20 12.108 -13.538 1.702 1.00 53.52 H new ATOM 0 HD3 LYS A 20 10.733 -12.533 2.114 1.00 53.52 H new ATOM 0 HE2 LYS A 20 9.210 -14.415 1.352 1.00 61.42 H new ATOM 0 HE3 LYS A 20 10.632 -15.414 1.126 1.00 61.42 H new ATOM 0 HZ1 LYS A 20 9.552 -15.725 3.293 1.00 12.05 H new ATOM 0 HZ2 LYS A 20 11.164 -15.214 3.441 1.00 12.05 H new ATOM 0 HZ3 LYS A 20 9.897 -14.112 3.694 1.00 12.05 H new ATOM 365 N GLU A 21 11.710 -8.201 -0.348 1.00 1.40 N ATOM 366 CA GLU A 21 12.341 -6.878 -0.557 1.00 54.43 C ATOM 367 C GLU A 21 12.338 -6.062 0.744 1.00 65.41 C ATOM 368 O GLU A 21 13.375 -5.559 1.192 1.00 71.41 O ATOM 369 CB GLU A 21 11.584 -6.086 -1.670 1.00 3.02 C ATOM 370 CG GLU A 21 11.559 -6.776 -3.048 1.00 74.10 C ATOM 371 CD GLU A 21 12.926 -6.816 -3.744 1.00 43.04 C ATOM 372 OE1 GLU A 21 13.749 -7.712 -3.443 1.00 74.11 O ATOM 373 OE2 GLU A 21 13.188 -5.950 -4.595 1.00 41.22 O ATOM 0 H GLU A 21 10.925 -8.381 -0.974 1.00 1.40 H new ATOM 0 HA GLU A 21 13.373 -7.042 -0.869 1.00 54.43 H new ATOM 0 HB2 GLU A 21 10.557 -5.919 -1.344 1.00 3.02 H new ATOM 0 HB3 GLU A 21 12.047 -5.105 -1.778 1.00 3.02 H new ATOM 0 HG2 GLU A 21 11.193 -7.796 -2.927 1.00 74.10 H new ATOM 0 HG3 GLU A 21 10.849 -6.257 -3.691 1.00 74.10 H new ATOM 380 N VAL A 22 11.147 -5.975 1.362 1.00 11.11 N ATOM 381 CA VAL A 22 10.926 -5.143 2.547 1.00 23.00 C ATOM 382 C VAL A 22 11.396 -5.847 3.851 1.00 60.25 C ATOM 383 O VAL A 22 11.694 -5.162 4.829 1.00 74.44 O ATOM 384 CB VAL A 22 9.424 -4.688 2.666 1.00 33.11 C ATOM 385 CG1 VAL A 22 8.932 -4.026 1.362 1.00 55.32 C ATOM 386 CG2 VAL A 22 8.485 -5.841 3.109 1.00 62.44 C ATOM 0 H VAL A 22 10.316 -6.479 1.052 1.00 11.11 H new ATOM 0 HA VAL A 22 11.538 -4.250 2.418 1.00 23.00 H new ATOM 0 HB VAL A 22 9.386 -3.938 3.456 1.00 33.11 H new ATOM 0 HG11 VAL A 22 7.891 -3.723 1.478 1.00 55.32 H new ATOM 0 HG12 VAL A 22 9.543 -3.149 1.146 1.00 55.32 H new ATOM 0 HG13 VAL A 22 9.014 -4.737 0.540 1.00 55.32 H new ATOM 0 HG21 VAL A 22 7.462 -5.472 3.175 1.00 62.44 H new ATOM 0 HG22 VAL A 22 8.533 -6.650 2.380 1.00 62.44 H new ATOM 0 HG23 VAL A 22 8.800 -6.213 4.084 1.00 62.44 H new ATOM 396 N GLU A 23 11.483 -7.205 3.846 1.00 61.32 N ATOM 397 CA GLU A 23 11.901 -8.007 5.035 1.00 24.24 C ATOM 398 C GLU A 23 13.406 -7.842 5.290 1.00 12.43 C ATOM 399 O GLU A 23 13.838 -7.729 6.445 1.00 10.23 O ATOM 400 CB GLU A 23 11.538 -9.519 4.886 1.00 52.34 C ATOM 401 CG GLU A 23 10.041 -9.841 5.114 1.00 20.23 C ATOM 402 CD GLU A 23 9.733 -11.348 5.046 1.00 61.20 C ATOM 403 OE1 GLU A 23 9.977 -12.051 6.052 1.00 33.13 O ATOM 404 OE2 GLU A 23 9.256 -11.841 3.997 1.00 34.44 O ATOM 0 H GLU A 23 11.268 -7.773 3.026 1.00 61.32 H new ATOM 0 HA GLU A 23 11.348 -7.624 5.893 1.00 24.24 H new ATOM 0 HB2 GLU A 23 11.821 -9.852 3.887 1.00 52.34 H new ATOM 0 HB3 GLU A 23 12.133 -10.095 5.594 1.00 52.34 H new ATOM 0 HG2 GLU A 23 9.737 -9.457 6.088 1.00 20.23 H new ATOM 0 HG3 GLU A 23 9.445 -9.320 4.365 1.00 20.23 H new ATOM 411 N ASN A 24 14.198 -7.802 4.193 1.00 10.32 N ATOM 412 CA ASN A 24 15.646 -7.494 4.257 1.00 52.15 C ATOM 413 C ASN A 24 15.888 -6.029 4.693 1.00 62.41 C ATOM 414 O ASN A 24 17.012 -5.663 5.044 1.00 63.13 O ATOM 415 CB ASN A 24 16.365 -7.773 2.899 1.00 45.12 C ATOM 416 CG ASN A 24 16.549 -9.267 2.603 1.00 34.41 C ATOM 417 OD1 ASN A 24 17.429 -9.910 3.170 1.00 24.40 O ATOM 418 ND2 ASN A 24 15.775 -9.812 1.687 1.00 32.44 N ATOM 0 H ASN A 24 13.856 -7.980 3.249 1.00 10.32 H new ATOM 0 HA ASN A 24 16.074 -8.159 5.007 1.00 52.15 H new ATOM 0 HB2 ASN A 24 15.790 -7.318 2.092 1.00 45.12 H new ATOM 0 HB3 ASN A 24 17.342 -7.289 2.907 1.00 45.12 H new ATOM 0 HD21 ASN A 24 15.898 -10.792 1.432 1.00 32.44 H new ATOM 0 HD22 ASN A 24 15.052 -9.254 1.232 1.00 32.44 H new ATOM 425 N GLN A 25 14.827 -5.194 4.653 1.00 41.24 N ATOM 426 CA GLN A 25 14.886 -3.769 5.051 1.00 13.00 C ATOM 427 C GLN A 25 14.037 -3.494 6.325 1.00 34.14 C ATOM 428 O GLN A 25 13.829 -2.335 6.691 1.00 32.13 O ATOM 429 CB GLN A 25 14.418 -2.888 3.863 1.00 15.53 C ATOM 430 CG GLN A 25 15.264 -3.039 2.572 1.00 5.50 C ATOM 431 CD GLN A 25 16.733 -2.623 2.744 1.00 75.41 C ATOM 432 OE1 GLN A 25 17.082 -1.458 2.579 1.00 5.22 O ATOM 433 NE2 GLN A 25 17.606 -3.575 3.028 1.00 70.11 N ATOM 0 H GLN A 25 13.902 -5.490 4.343 1.00 41.24 H new ATOM 0 HA GLN A 25 15.916 -3.516 5.301 1.00 13.00 H new ATOM 0 HB2 GLN A 25 13.381 -3.133 3.633 1.00 15.53 H new ATOM 0 HB3 GLN A 25 14.437 -1.843 4.173 1.00 15.53 H new ATOM 0 HG2 GLN A 25 15.226 -4.077 2.243 1.00 5.50 H new ATOM 0 HG3 GLN A 25 14.815 -2.437 1.782 1.00 5.50 H new ATOM 0 HE21 GLN A 25 17.288 -4.535 3.160 1.00 70.11 H new ATOM 0 HE22 GLN A 25 18.597 -3.349 3.115 1.00 70.11 H new ATOM 442 N GLY A 26 13.540 -4.571 6.970 1.00 65.23 N ATOM 443 CA GLY A 26 12.938 -4.487 8.307 1.00 34.41 C ATOM 444 C GLY A 26 11.554 -3.834 8.365 1.00 45.12 C ATOM 445 O GLY A 26 11.253 -3.114 9.318 1.00 21.10 O ATOM 0 H GLY A 26 13.547 -5.513 6.578 1.00 65.23 H new ATOM 0 HA2 GLY A 26 12.863 -5.494 8.717 1.00 34.41 H new ATOM 0 HA3 GLY A 26 13.612 -3.928 8.956 1.00 34.41 H new ATOM 449 N TYR A 27 10.716 -4.084 7.346 1.00 31.05 N ATOM 450 CA TYR A 27 9.307 -3.618 7.309 1.00 44.40 C ATOM 451 C TYR A 27 8.377 -4.727 7.825 1.00 54.20 C ATOM 452 O TYR A 27 8.556 -5.909 7.502 1.00 20.41 O ATOM 453 CB TYR A 27 8.881 -3.208 5.869 1.00 12.21 C ATOM 454 CG TYR A 27 9.327 -1.804 5.408 1.00 50.23 C ATOM 455 CD1 TYR A 27 10.669 -1.402 5.462 1.00 70.34 C ATOM 456 CD2 TYR A 27 8.392 -0.876 4.917 1.00 51.54 C ATOM 457 CE1 TYR A 27 11.056 -0.137 5.056 1.00 21.44 C ATOM 458 CE2 TYR A 27 8.781 0.386 4.506 1.00 72.22 C ATOM 459 CZ TYR A 27 10.109 0.752 4.581 1.00 2.42 C ATOM 460 OH TYR A 27 10.491 2.019 4.189 1.00 21.12 O ATOM 0 H TYR A 27 10.990 -4.615 6.520 1.00 31.05 H new ATOM 0 HA TYR A 27 9.227 -2.740 7.950 1.00 44.40 H new ATOM 0 HB2 TYR A 27 9.280 -3.943 5.170 1.00 12.21 H new ATOM 0 HB3 TYR A 27 7.794 -3.263 5.803 1.00 12.21 H new ATOM 0 HD1 TYR A 27 11.415 -2.093 5.827 1.00 70.34 H new ATOM 0 HD2 TYR A 27 7.350 -1.154 4.860 1.00 51.54 H new ATOM 0 HE1 TYR A 27 12.094 0.155 5.110 1.00 21.44 H new ATOM 0 HE2 TYR A 27 8.048 1.083 4.128 1.00 72.22 H new ATOM 0 HH TYR A 27 11.412 1.994 3.854 1.00 21.12 H new ATOM 470 N GLN A 28 7.374 -4.313 8.604 1.00 72.14 N ATOM 471 CA GLN A 28 6.378 -5.205 9.195 1.00 40.24 C ATOM 472 C GLN A 28 5.203 -5.390 8.219 1.00 24.34 C ATOM 473 O GLN A 28 4.460 -4.445 7.969 1.00 13.15 O ATOM 474 CB GLN A 28 5.894 -4.569 10.522 1.00 4.31 C ATOM 475 CG GLN A 28 4.879 -5.403 11.321 1.00 20.24 C ATOM 476 CD GLN A 28 4.580 -4.779 12.681 1.00 11.53 C ATOM 477 OE1 GLN A 28 3.651 -3.993 12.831 1.00 33.43 O ATOM 478 NE2 GLN A 28 5.391 -5.105 13.674 1.00 25.23 N ATOM 0 H GLN A 28 7.231 -3.332 8.844 1.00 72.14 H new ATOM 0 HA GLN A 28 6.808 -6.187 9.393 1.00 40.24 H new ATOM 0 HB2 GLN A 28 6.762 -4.382 11.154 1.00 4.31 H new ATOM 0 HB3 GLN A 28 5.447 -3.600 10.299 1.00 4.31 H new ATOM 0 HG2 GLN A 28 3.954 -5.494 10.751 1.00 20.24 H new ATOM 0 HG3 GLN A 28 5.267 -6.412 11.461 1.00 20.24 H new ATOM 0 HE21 GLN A 28 6.154 -5.763 13.514 1.00 25.23 H new ATOM 0 HE22 GLN A 28 5.253 -4.699 14.599 1.00 25.23 H new ATOM 487 N VAL A 29 5.040 -6.611 7.681 1.00 33.32 N ATOM 488 CA VAL A 29 3.937 -6.938 6.755 1.00 11.21 C ATOM 489 C VAL A 29 2.692 -7.334 7.571 1.00 15.23 C ATOM 490 O VAL A 29 2.797 -8.132 8.511 1.00 24.34 O ATOM 491 CB VAL A 29 4.317 -8.091 5.742 1.00 73.15 C ATOM 492 CG1 VAL A 29 3.182 -8.324 4.702 1.00 73.21 C ATOM 493 CG2 VAL A 29 5.662 -7.786 5.031 1.00 40.42 C ATOM 0 H VAL A 29 5.663 -7.395 7.873 1.00 33.32 H new ATOM 0 HA VAL A 29 3.729 -6.051 6.156 1.00 11.21 H new ATOM 0 HB VAL A 29 4.438 -9.009 6.316 1.00 73.15 H new ATOM 0 HG11 VAL A 29 3.472 -9.122 4.019 1.00 73.21 H new ATOM 0 HG12 VAL A 29 2.265 -8.605 5.221 1.00 73.21 H new ATOM 0 HG13 VAL A 29 3.012 -7.407 4.137 1.00 73.21 H new ATOM 0 HG21 VAL A 29 5.900 -8.595 4.340 1.00 40.42 H new ATOM 0 HG22 VAL A 29 5.578 -6.850 4.479 1.00 40.42 H new ATOM 0 HG23 VAL A 29 6.455 -7.699 5.774 1.00 40.42 H new ATOM 503 N ARG A 30 1.522 -6.753 7.220 1.00 72.12 N ATOM 504 CA ARG A 30 0.225 -7.092 7.833 1.00 55.03 C ATOM 505 C ARG A 30 -0.801 -7.424 6.718 1.00 42.21 C ATOM 506 O ARG A 30 -1.080 -6.598 5.848 1.00 73.22 O ATOM 507 CB ARG A 30 -0.256 -5.922 8.756 1.00 1.34 C ATOM 508 CG ARG A 30 -1.463 -6.254 9.694 1.00 13.10 C ATOM 509 CD ARG A 30 -2.849 -6.093 9.039 1.00 0.40 C ATOM 510 NE ARG A 30 -3.924 -6.719 9.848 1.00 53.10 N ATOM 511 CZ ARG A 30 -5.231 -6.422 9.756 1.00 64.10 C ATOM 512 NH1 ARG A 30 -5.652 -5.502 8.907 1.00 14.14 N ATOM 513 NH2 ARG A 30 -6.118 -7.074 10.494 1.00 62.14 N ATOM 0 H ARG A 30 1.455 -6.033 6.500 1.00 72.12 H new ATOM 0 HA ARG A 30 0.328 -7.975 8.464 1.00 55.03 H new ATOM 0 HB2 ARG A 30 0.583 -5.601 9.373 1.00 1.34 H new ATOM 0 HB3 ARG A 30 -0.530 -5.076 8.126 1.00 1.34 H new ATOM 0 HG2 ARG A 30 -1.360 -7.280 10.047 1.00 13.10 H new ATOM 0 HG3 ARG A 30 -1.413 -5.608 10.571 1.00 13.10 H new ATOM 0 HD2 ARG A 30 -3.066 -5.033 8.906 1.00 0.40 H new ATOM 0 HD3 ARG A 30 -2.835 -6.542 8.046 1.00 0.40 H new ATOM 0 HE ARG A 30 -3.649 -7.430 10.526 1.00 53.10 H new ATOM 0 HH11 ARG A 30 -4.983 -5.011 8.314 1.00 14.14 H new ATOM 0 HH12 ARG A 30 -6.646 -5.283 8.844 1.00 14.14 H new ATOM 0 HH21 ARG A 30 -5.809 -7.805 11.135 1.00 62.14 H new ATOM 0 HH22 ARG A 30 -7.109 -6.845 10.421 1.00 62.14 H new ATOM 527 N ASP A 31 -1.350 -8.645 6.788 1.00 54.42 N ATOM 528 CA ASP A 31 -2.342 -9.185 5.834 1.00 23.14 C ATOM 529 C ASP A 31 -3.769 -8.665 6.164 1.00 51.32 C ATOM 530 O ASP A 31 -4.159 -8.623 7.335 1.00 63.54 O ATOM 531 CB ASP A 31 -2.266 -10.737 5.904 1.00 55.40 C ATOM 532 CG ASP A 31 -3.452 -11.467 5.250 1.00 21.33 C ATOM 533 OD1 ASP A 31 -3.502 -11.551 4.006 1.00 53.13 O ATOM 534 OD2 ASP A 31 -4.323 -11.980 5.984 1.00 4.04 O ATOM 0 H ASP A 31 -1.113 -9.306 7.528 1.00 54.42 H new ATOM 0 HA ASP A 31 -2.119 -8.851 4.821 1.00 23.14 H new ATOM 0 HB2 ASP A 31 -1.345 -11.065 5.422 1.00 55.40 H new ATOM 0 HB3 ASP A 31 -2.203 -11.038 6.950 1.00 55.40 H new ATOM 539 N VAL A 32 -4.543 -8.275 5.119 1.00 11.45 N ATOM 540 CA VAL A 32 -5.924 -7.746 5.261 1.00 2.42 C ATOM 541 C VAL A 32 -6.853 -8.454 4.256 1.00 52.14 C ATOM 542 O VAL A 32 -6.679 -8.299 3.044 1.00 70.34 O ATOM 543 CB VAL A 32 -6.007 -6.192 4.995 1.00 31.03 C ATOM 544 CG1 VAL A 32 -7.413 -5.630 5.342 1.00 64.41 C ATOM 545 CG2 VAL A 32 -4.903 -5.428 5.747 1.00 71.21 C ATOM 0 H VAL A 32 -4.225 -8.319 4.151 1.00 11.45 H new ATOM 0 HA VAL A 32 -6.232 -7.935 6.289 1.00 2.42 H new ATOM 0 HB VAL A 32 -5.843 -6.039 3.928 1.00 31.03 H new ATOM 0 HG11 VAL A 32 -7.435 -4.558 5.147 1.00 64.41 H new ATOM 0 HG12 VAL A 32 -8.165 -6.126 4.728 1.00 64.41 H new ATOM 0 HG13 VAL A 32 -7.628 -5.812 6.395 1.00 64.41 H new ATOM 0 HG21 VAL A 32 -4.992 -4.362 5.539 1.00 71.21 H new ATOM 0 HG22 VAL A 32 -5.007 -5.599 6.818 1.00 71.21 H new ATOM 0 HG23 VAL A 32 -3.926 -5.781 5.417 1.00 71.21 H new ATOM 555 N ASN A 33 -7.834 -9.228 4.762 1.00 35.13 N ATOM 556 CA ASN A 33 -8.842 -9.908 3.909 1.00 65.34 C ATOM 557 C ASN A 33 -10.224 -9.276 4.098 1.00 2.45 C ATOM 558 O ASN A 33 -10.867 -8.862 3.132 1.00 3.53 O ATOM 559 CB ASN A 33 -8.928 -11.426 4.217 1.00 64.35 C ATOM 560 CG ASN A 33 -7.595 -12.137 4.041 1.00 3.34 C ATOM 561 OD1 ASN A 33 -7.171 -12.414 2.925 1.00 62.35 O ATOM 562 ND2 ASN A 33 -6.941 -12.461 5.134 1.00 64.45 N ATOM 0 H ASN A 33 -7.954 -9.401 5.760 1.00 35.13 H new ATOM 0 HA ASN A 33 -8.520 -9.783 2.875 1.00 65.34 H new ATOM 0 HB2 ASN A 33 -9.277 -11.566 5.240 1.00 64.35 H new ATOM 0 HB3 ASN A 33 -9.669 -11.884 3.562 1.00 64.35 H new ATOM 0 HD21 ASN A 33 -6.053 -12.958 5.068 1.00 64.45 H new ATOM 0 HD22 ASN A 33 -7.322 -12.215 6.048 1.00 64.45 H new ATOM 569 N ASP A 34 -10.667 -9.206 5.361 1.00 43.11 N ATOM 570 CA ASP A 34 -12.043 -8.794 5.716 1.00 64.21 C ATOM 571 C ASP A 34 -12.151 -7.272 5.899 1.00 41.55 C ATOM 572 O ASP A 34 -11.147 -6.595 6.157 1.00 70.52 O ATOM 573 CB ASP A 34 -12.500 -9.504 7.022 1.00 2.42 C ATOM 574 CG ASP A 34 -12.563 -11.036 6.889 1.00 14.24 C ATOM 575 OD1 ASP A 34 -11.490 -11.673 6.794 1.00 22.14 O ATOM 576 OD2 ASP A 34 -13.676 -11.611 6.880 1.00 53.44 O ATOM 0 H ASP A 34 -10.086 -9.432 6.169 1.00 43.11 H new ATOM 0 HA ASP A 34 -12.692 -9.087 4.891 1.00 64.21 H new ATOM 0 HB2 ASP A 34 -11.814 -9.244 7.828 1.00 2.42 H new ATOM 0 HB3 ASP A 34 -13.483 -9.130 7.306 1.00 2.42 H new ATOM 581 N SER A 35 -13.392 -6.759 5.763 1.00 52.13 N ATOM 582 CA SER A 35 -13.770 -5.382 6.149 1.00 32.14 C ATOM 583 C SER A 35 -13.615 -5.201 7.671 1.00 43.22 C ATOM 584 O SER A 35 -13.291 -4.110 8.165 1.00 52.22 O ATOM 585 CB SER A 35 -15.233 -5.118 5.739 1.00 62.43 C ATOM 586 OG SER A 35 -15.433 -5.398 4.365 1.00 1.34 O ATOM 0 H SER A 35 -14.169 -7.295 5.378 1.00 52.13 H new ATOM 0 HA SER A 35 -13.116 -4.673 5.640 1.00 32.14 H new ATOM 0 HB2 SER A 35 -15.900 -5.735 6.341 1.00 62.43 H new ATOM 0 HB3 SER A 35 -15.490 -4.079 5.943 1.00 62.43 H new ATOM 0 HG SER A 35 -16.368 -5.225 4.129 1.00 1.34 H new ATOM 592 N ASP A 36 -13.862 -6.306 8.395 1.00 53.40 N ATOM 593 CA ASP A 36 -13.661 -6.387 9.837 1.00 1.11 C ATOM 594 C ASP A 36 -12.166 -6.231 10.163 1.00 2.54 C ATOM 595 O ASP A 36 -11.808 -5.484 11.074 1.00 20.43 O ATOM 596 CB ASP A 36 -14.215 -7.729 10.370 1.00 15.42 C ATOM 597 CG ASP A 36 -14.131 -7.839 11.898 1.00 12.12 C ATOM 598 OD1 ASP A 36 -15.078 -7.398 12.581 1.00 15.35 O ATOM 599 OD2 ASP A 36 -13.108 -8.321 12.429 1.00 65.12 O ATOM 0 H ASP A 36 -14.210 -7.172 7.984 1.00 53.40 H new ATOM 0 HA ASP A 36 -14.202 -5.579 10.329 1.00 1.11 H new ATOM 0 HB2 ASP A 36 -15.254 -7.838 10.059 1.00 15.42 H new ATOM 0 HB3 ASP A 36 -13.659 -8.551 9.919 1.00 15.42 H new ATOM 604 N GLU A 37 -11.300 -6.904 9.379 1.00 35.55 N ATOM 605 CA GLU A 37 -9.842 -6.809 9.549 1.00 53.45 C ATOM 606 C GLU A 37 -9.310 -5.435 9.133 1.00 23.25 C ATOM 607 O GLU A 37 -8.282 -4.994 9.652 1.00 10.03 O ATOM 608 CB GLU A 37 -9.115 -7.946 8.788 1.00 64.40 C ATOM 609 CG GLU A 37 -9.406 -9.346 9.363 1.00 13.42 C ATOM 610 CD GLU A 37 -9.149 -9.430 10.886 1.00 64.31 C ATOM 611 OE1 GLU A 37 -7.973 -9.340 11.311 1.00 64.35 O ATOM 612 OE2 GLU A 37 -10.119 -9.556 11.670 1.00 51.42 O ATOM 0 H GLU A 37 -11.590 -7.521 8.620 1.00 35.55 H new ATOM 0 HA GLU A 37 -9.631 -6.929 10.612 1.00 53.45 H new ATOM 0 HB2 GLU A 37 -9.414 -7.922 7.740 1.00 64.40 H new ATOM 0 HB3 GLU A 37 -8.041 -7.765 8.817 1.00 64.40 H new ATOM 0 HG2 GLU A 37 -10.444 -9.610 9.158 1.00 13.42 H new ATOM 0 HG3 GLU A 37 -8.784 -10.081 8.852 1.00 13.42 H new ATOM 619 N LEU A 38 -10.027 -4.763 8.215 1.00 73.31 N ATOM 620 CA LEU A 38 -9.724 -3.381 7.830 1.00 54.15 C ATOM 621 C LEU A 38 -9.859 -2.457 9.052 1.00 32.10 C ATOM 622 O LEU A 38 -8.907 -1.778 9.429 1.00 71.41 O ATOM 623 CB LEU A 38 -10.649 -2.912 6.680 1.00 54.03 C ATOM 624 CG LEU A 38 -10.421 -1.446 6.183 1.00 3.43 C ATOM 625 CD1 LEU A 38 -9.042 -1.297 5.526 1.00 43.03 C ATOM 626 CD2 LEU A 38 -11.553 -0.974 5.238 1.00 64.25 C ATOM 0 H LEU A 38 -10.827 -5.163 7.724 1.00 73.31 H new ATOM 0 HA LEU A 38 -8.697 -3.336 7.468 1.00 54.15 H new ATOM 0 HB2 LEU A 38 -10.518 -3.587 5.835 1.00 54.03 H new ATOM 0 HB3 LEU A 38 -11.684 -3.008 7.008 1.00 54.03 H new ATOM 0 HG LEU A 38 -10.447 -0.797 7.058 1.00 3.43 H new ATOM 0 HD11 LEU A 38 -8.909 -0.269 5.189 1.00 43.03 H new ATOM 0 HD12 LEU A 38 -8.266 -1.546 6.249 1.00 43.03 H new ATOM 0 HD13 LEU A 38 -8.971 -1.971 4.672 1.00 43.03 H new ATOM 0 HD21 LEU A 38 -11.356 0.049 4.916 1.00 64.25 H new ATOM 0 HD22 LEU A 38 -11.595 -1.627 4.366 1.00 64.25 H new ATOM 0 HD23 LEU A 38 -12.506 -1.011 5.765 1.00 64.25 H new ATOM 638 N LYS A 39 -11.038 -2.477 9.708 1.00 32.12 N ATOM 639 CA LYS A 39 -11.291 -1.612 10.876 1.00 14.43 C ATOM 640 C LYS A 39 -10.381 -1.996 12.071 1.00 51.54 C ATOM 641 O LYS A 39 -9.972 -1.120 12.837 1.00 54.24 O ATOM 642 CB LYS A 39 -12.808 -1.591 11.248 1.00 4.24 C ATOM 643 CG LYS A 39 -13.430 -2.899 11.819 1.00 0.25 C ATOM 644 CD LYS A 39 -13.269 -3.045 13.361 1.00 45.41 C ATOM 645 CE LYS A 39 -13.968 -4.286 13.937 1.00 72.51 C ATOM 646 NZ LYS A 39 -13.159 -5.520 13.757 1.00 32.13 N ATOM 0 H LYS A 39 -11.822 -3.077 9.451 1.00 32.12 H new ATOM 0 HA LYS A 39 -11.026 -0.590 10.605 1.00 14.43 H new ATOM 0 HB2 LYS A 39 -12.963 -0.798 11.980 1.00 4.24 H new ATOM 0 HB3 LYS A 39 -13.369 -1.315 10.355 1.00 4.24 H new ATOM 0 HG2 LYS A 39 -14.491 -2.926 11.569 1.00 0.25 H new ATOM 0 HG3 LYS A 39 -12.965 -3.756 11.331 1.00 0.25 H new ATOM 0 HD2 LYS A 39 -12.208 -3.090 13.605 1.00 45.41 H new ATOM 0 HD3 LYS A 39 -13.670 -2.155 13.846 1.00 45.41 H new ATOM 0 HE2 LYS A 39 -14.162 -4.132 14.999 1.00 72.51 H new ATOM 0 HE3 LYS A 39 -14.936 -4.414 13.452 1.00 72.51 H new ATOM 0 HZ1 LYS A 39 -13.762 -6.355 13.904 1.00 32.13 H new ATOM 0 HZ2 LYS A 39 -12.768 -5.541 12.794 1.00 32.13 H new ATOM 0 HZ3 LYS A 39 -12.381 -5.529 14.447 1.00 32.13 H new ATOM 660 N LYS A 40 -10.045 -3.312 12.181 1.00 74.42 N ATOM 661 CA LYS A 40 -9.149 -3.857 13.236 1.00 63.53 C ATOM 662 C LYS A 40 -7.847 -3.057 13.317 1.00 1.32 C ATOM 663 O LYS A 40 -7.434 -2.637 14.404 1.00 35.23 O ATOM 664 CB LYS A 40 -8.830 -5.365 12.959 1.00 4.21 C ATOM 665 CG LYS A 40 -9.967 -6.353 13.332 1.00 64.02 C ATOM 666 CD LYS A 40 -9.877 -6.876 14.780 1.00 23.51 C ATOM 667 CE LYS A 40 -8.661 -7.795 15.010 1.00 70.53 C ATOM 668 NZ LYS A 40 -8.745 -9.054 14.220 1.00 4.34 N ATOM 0 H LYS A 40 -10.390 -4.025 11.538 1.00 74.42 H new ATOM 0 HA LYS A 40 -9.667 -3.772 14.191 1.00 63.53 H new ATOM 0 HB2 LYS A 40 -8.598 -5.484 11.901 1.00 4.21 H new ATOM 0 HB3 LYS A 40 -7.933 -5.640 13.514 1.00 4.21 H new ATOM 0 HG2 LYS A 40 -10.928 -5.858 13.192 1.00 64.02 H new ATOM 0 HG3 LYS A 40 -9.941 -7.200 12.646 1.00 64.02 H new ATOM 0 HD2 LYS A 40 -9.821 -6.029 15.464 1.00 23.51 H new ATOM 0 HD3 LYS A 40 -10.789 -7.421 15.022 1.00 23.51 H new ATOM 0 HE2 LYS A 40 -7.749 -7.261 14.742 1.00 70.53 H new ATOM 0 HE3 LYS A 40 -8.588 -8.038 16.070 1.00 70.53 H new ATOM 0 HZ1 LYS A 40 -8.300 -9.828 14.753 1.00 4.34 H new ATOM 0 HZ2 LYS A 40 -9.743 -9.286 14.041 1.00 4.34 H new ATOM 0 HZ3 LYS A 40 -8.251 -8.929 13.313 1.00 4.34 H new ATOM 682 N GLU A 41 -7.229 -2.837 12.150 1.00 0.51 N ATOM 683 CA GLU A 41 -5.960 -2.122 12.057 1.00 35.13 C ATOM 684 C GLU A 41 -6.200 -0.608 12.177 1.00 2.31 C ATOM 685 O GLU A 41 -5.409 0.066 12.806 1.00 61.31 O ATOM 686 CB GLU A 41 -5.219 -2.481 10.734 1.00 34.34 C ATOM 687 CG GLU A 41 -5.778 -1.803 9.451 1.00 60.12 C ATOM 688 CD GLU A 41 -5.463 -2.563 8.156 1.00 31.34 C ATOM 689 OE1 GLU A 41 -4.285 -2.870 7.913 1.00 61.42 O ATOM 690 OE2 GLU A 41 -6.404 -2.887 7.394 1.00 32.05 O ATOM 0 H GLU A 41 -7.596 -3.150 11.251 1.00 0.51 H new ATOM 0 HA GLU A 41 -5.318 -2.431 12.882 1.00 35.13 H new ATOM 0 HB2 GLU A 41 -4.169 -2.209 10.840 1.00 34.34 H new ATOM 0 HB3 GLU A 41 -5.256 -3.562 10.599 1.00 34.34 H new ATOM 0 HG2 GLU A 41 -6.859 -1.702 9.547 1.00 60.12 H new ATOM 0 HG3 GLU A 41 -5.369 -0.795 9.377 1.00 60.12 H new ATOM 697 N MET A 42 -7.328 -0.098 11.605 1.00 13.51 N ATOM 698 CA MET A 42 -7.638 1.358 11.553 1.00 42.24 C ATOM 699 C MET A 42 -7.616 2.018 12.950 1.00 32.43 C ATOM 700 O MET A 42 -7.056 3.117 13.111 1.00 53.53 O ATOM 701 CB MET A 42 -9.004 1.616 10.842 1.00 72.13 C ATOM 702 CG MET A 42 -9.001 1.356 9.308 1.00 2.33 C ATOM 703 SD MET A 42 -8.738 2.849 8.306 1.00 70.02 S ATOM 704 CE MET A 42 -7.126 3.441 8.826 1.00 45.10 C ATOM 0 H MET A 42 -8.042 -0.682 11.170 1.00 13.51 H new ATOM 0 HA MET A 42 -6.847 1.825 10.967 1.00 42.24 H new ATOM 0 HB2 MET A 42 -9.762 0.982 11.302 1.00 72.13 H new ATOM 0 HB3 MET A 42 -9.301 2.649 11.020 1.00 72.13 H new ATOM 0 HG2 MET A 42 -8.221 0.632 9.074 1.00 2.33 H new ATOM 0 HG3 MET A 42 -9.951 0.903 9.025 1.00 2.33 H new ATOM 0 HE1 MET A 42 -6.944 4.426 8.396 1.00 45.10 H new ATOM 0 HE2 MET A 42 -7.097 3.509 9.914 1.00 45.10 H new ATOM 0 HE3 MET A 42 -6.357 2.748 8.485 1.00 45.10 H new ATOM 714 N LYS A 43 -8.209 1.326 13.948 1.00 70.53 N ATOM 715 CA LYS A 43 -8.176 1.773 15.363 1.00 1.43 C ATOM 716 C LYS A 43 -6.716 1.831 15.866 1.00 72.34 C ATOM 717 O LYS A 43 -6.313 2.804 16.497 1.00 42.15 O ATOM 718 CB LYS A 43 -9.036 0.849 16.293 1.00 43.54 C ATOM 719 CG LYS A 43 -10.572 1.082 16.250 1.00 43.31 C ATOM 720 CD LYS A 43 -11.214 0.746 14.883 1.00 33.01 C ATOM 721 CE LYS A 43 -12.751 0.788 14.893 1.00 3.13 C ATOM 722 NZ LYS A 43 -13.287 2.147 15.176 1.00 31.42 N ATOM 0 H LYS A 43 -8.718 0.454 13.802 1.00 70.53 H new ATOM 0 HA LYS A 43 -8.613 2.771 15.404 1.00 1.43 H new ATOM 0 HB2 LYS A 43 -8.838 -0.189 16.025 1.00 43.54 H new ATOM 0 HB3 LYS A 43 -8.696 0.983 17.320 1.00 43.54 H new ATOM 0 HG2 LYS A 43 -11.044 0.475 17.022 1.00 43.31 H new ATOM 0 HG3 LYS A 43 -10.779 2.124 16.492 1.00 43.31 H new ATOM 0 HD2 LYS A 43 -10.845 1.449 14.136 1.00 33.01 H new ATOM 0 HD3 LYS A 43 -10.889 -0.247 14.574 1.00 33.01 H new ATOM 0 HE2 LYS A 43 -13.126 0.448 13.928 1.00 3.13 H new ATOM 0 HE3 LYS A 43 -13.124 0.091 15.643 1.00 3.13 H new ATOM 0 HZ1 LYS A 43 -14.327 2.118 15.171 1.00 31.42 H new ATOM 0 HZ2 LYS A 43 -12.954 2.464 16.109 1.00 31.42 H new ATOM 0 HZ3 LYS A 43 -12.955 2.810 14.446 1.00 31.42 H new ATOM 736 N LYS A 44 -5.933 0.790 15.523 1.00 75.02 N ATOM 737 CA LYS A 44 -4.527 0.634 15.969 1.00 35.13 C ATOM 738 C LYS A 44 -3.600 1.695 15.339 1.00 23.45 C ATOM 739 O LYS A 44 -2.634 2.114 15.961 1.00 3.25 O ATOM 740 CB LYS A 44 -4.012 -0.792 15.613 1.00 41.35 C ATOM 741 CG LYS A 44 -4.861 -1.940 16.204 1.00 1.42 C ATOM 742 CD LYS A 44 -4.793 -2.021 17.748 1.00 74.15 C ATOM 743 CE LYS A 44 -5.603 -3.198 18.316 1.00 5.33 C ATOM 744 NZ LYS A 44 -5.406 -3.366 19.780 1.00 2.21 N ATOM 0 H LYS A 44 -6.255 0.028 14.926 1.00 75.02 H new ATOM 0 HA LYS A 44 -4.508 0.776 17.050 1.00 35.13 H new ATOM 0 HB2 LYS A 44 -3.986 -0.896 14.528 1.00 41.35 H new ATOM 0 HB3 LYS A 44 -2.986 -0.894 15.968 1.00 41.35 H new ATOM 0 HG2 LYS A 44 -5.899 -1.808 15.900 1.00 1.42 H new ATOM 0 HG3 LYS A 44 -4.523 -2.887 15.782 1.00 1.42 H new ATOM 0 HD2 LYS A 44 -3.752 -2.118 18.057 1.00 74.15 H new ATOM 0 HD3 LYS A 44 -5.166 -1.089 18.174 1.00 74.15 H new ATOM 0 HE2 LYS A 44 -6.662 -3.040 18.110 1.00 5.33 H new ATOM 0 HE3 LYS A 44 -5.312 -4.116 17.805 1.00 5.33 H new ATOM 0 HZ1 LYS A 44 -5.972 -4.171 20.116 1.00 2.21 H new ATOM 0 HZ2 LYS A 44 -4.400 -3.543 19.977 1.00 2.21 H new ATOM 0 HZ3 LYS A 44 -5.708 -2.501 20.272 1.00 2.21 H new ATOM 758 N LEU A 45 -3.915 2.111 14.097 1.00 33.33 N ATOM 759 CA LEU A 45 -3.120 3.101 13.342 1.00 14.15 C ATOM 760 C LEU A 45 -3.368 4.514 13.898 1.00 4.03 C ATOM 761 O LEU A 45 -2.457 5.352 13.942 1.00 74.10 O ATOM 762 CB LEU A 45 -3.492 3.037 11.835 1.00 34.01 C ATOM 763 CG LEU A 45 -3.330 1.640 11.147 1.00 63.24 C ATOM 764 CD1 LEU A 45 -3.932 1.635 9.733 1.00 40.31 C ATOM 765 CD2 LEU A 45 -1.863 1.160 11.142 1.00 32.02 C ATOM 0 H LEU A 45 -4.730 1.770 13.587 1.00 33.33 H new ATOM 0 HA LEU A 45 -2.061 2.867 13.452 1.00 14.15 H new ATOM 0 HB2 LEU A 45 -4.528 3.357 11.723 1.00 34.01 H new ATOM 0 HB3 LEU A 45 -2.876 3.758 11.298 1.00 34.01 H new ATOM 0 HG LEU A 45 -3.893 0.925 11.746 1.00 63.24 H new ATOM 0 HD11 LEU A 45 -3.802 0.650 9.286 1.00 40.31 H new ATOM 0 HD12 LEU A 45 -4.995 1.870 9.789 1.00 40.31 H new ATOM 0 HD13 LEU A 45 -3.427 2.382 9.120 1.00 40.31 H new ATOM 0 HD21 LEU A 45 -1.800 0.187 10.655 1.00 32.02 H new ATOM 0 HD22 LEU A 45 -1.247 1.878 10.600 1.00 32.02 H new ATOM 0 HD23 LEU A 45 -1.504 1.076 12.168 1.00 32.02 H new ATOM 777 N ALA A 46 -4.636 4.756 14.298 1.00 44.41 N ATOM 778 CA ALA A 46 -5.068 6.023 14.900 1.00 15.32 C ATOM 779 C ALA A 46 -4.456 6.215 16.301 1.00 3.41 C ATOM 780 O ALA A 46 -3.878 7.276 16.594 1.00 32.20 O ATOM 781 CB ALA A 46 -6.606 6.066 14.967 1.00 41.53 C ATOM 0 H ALA A 46 -5.386 4.071 14.209 1.00 44.41 H new ATOM 0 HA ALA A 46 -4.714 6.842 14.274 1.00 15.32 H new ATOM 0 HB1 ALA A 46 -6.925 7.008 15.414 1.00 41.53 H new ATOM 0 HB2 ALA A 46 -7.016 5.985 13.960 1.00 41.53 H new ATOM 0 HB3 ALA A 46 -6.967 5.236 15.574 1.00 41.53 H new ATOM 787 N GLU A 47 -4.562 5.169 17.139 1.00 31.04 N ATOM 788 CA GLU A 47 -4.115 5.215 18.542 1.00 25.20 C ATOM 789 C GLU A 47 -2.592 5.069 18.621 1.00 61.34 C ATOM 790 O GLU A 47 -1.892 6.008 19.023 1.00 10.23 O ATOM 791 CB GLU A 47 -4.827 4.120 19.382 1.00 33.04 C ATOM 792 CG GLU A 47 -6.366 4.206 19.371 1.00 35.01 C ATOM 793 CD GLU A 47 -6.891 5.583 19.809 1.00 1.25 C ATOM 794 OE1 GLU A 47 -6.923 5.859 21.024 1.00 11.31 O ATOM 795 OE2 GLU A 47 -7.257 6.410 18.940 1.00 35.24 O ATOM 0 H GLU A 47 -4.959 4.271 16.864 1.00 31.04 H new ATOM 0 HA GLU A 47 -4.386 6.184 18.961 1.00 25.20 H new ATOM 0 HB2 GLU A 47 -4.528 3.141 19.008 1.00 33.04 H new ATOM 0 HB3 GLU A 47 -4.479 4.187 20.413 1.00 33.04 H new ATOM 0 HG2 GLU A 47 -6.730 3.986 18.367 1.00 35.01 H new ATOM 0 HG3 GLU A 47 -6.772 3.441 20.032 1.00 35.01 H new ATOM 802 N GLU A 48 -2.091 3.888 18.228 1.00 63.02 N ATOM 803 CA GLU A 48 -0.654 3.619 18.156 1.00 55.12 C ATOM 804 C GLU A 48 -0.107 4.275 16.883 1.00 43.11 C ATOM 805 O GLU A 48 -0.069 3.678 15.807 1.00 74.13 O ATOM 806 CB GLU A 48 -0.362 2.097 18.196 1.00 72.11 C ATOM 807 CG GLU A 48 1.137 1.725 18.220 1.00 4.55 C ATOM 808 CD GLU A 48 1.362 0.206 18.277 1.00 10.10 C ATOM 809 OE1 GLU A 48 1.224 -0.381 19.370 1.00 71.04 O ATOM 810 OE2 GLU A 48 1.633 -0.412 17.229 1.00 64.25 O ATOM 0 H GLU A 48 -2.673 3.097 17.953 1.00 63.02 H new ATOM 0 HA GLU A 48 -0.152 4.045 19.025 1.00 55.12 H new ATOM 0 HB2 GLU A 48 -0.841 1.672 19.078 1.00 72.11 H new ATOM 0 HB3 GLU A 48 -0.824 1.630 17.326 1.00 72.11 H new ATOM 0 HG2 GLU A 48 1.623 2.129 17.332 1.00 4.55 H new ATOM 0 HG3 GLU A 48 1.611 2.193 19.083 1.00 4.55 H new ATOM 817 N LYS A 49 0.267 5.550 17.029 1.00 73.32 N ATOM 818 CA LYS A 49 0.841 6.375 15.951 1.00 32.03 C ATOM 819 C LYS A 49 2.385 6.265 15.974 1.00 2.02 C ATOM 820 O LYS A 49 3.093 7.055 15.326 1.00 40.14 O ATOM 821 CB LYS A 49 0.366 7.835 16.147 1.00 74.12 C ATOM 822 CG LYS A 49 0.419 8.731 14.889 1.00 3.21 C ATOM 823 CD LYS A 49 -0.042 10.181 15.176 1.00 55.10 C ATOM 824 CE LYS A 49 -1.377 10.249 15.960 1.00 24.13 C ATOM 825 NZ LYS A 49 -2.454 9.411 15.351 1.00 54.14 N ATOM 0 H LYS A 49 0.179 6.050 17.914 1.00 73.32 H new ATOM 0 HA LYS A 49 0.504 6.026 14.975 1.00 32.03 H new ATOM 0 HB2 LYS A 49 -0.660 7.818 16.515 1.00 74.12 H new ATOM 0 HB3 LYS A 49 0.976 8.295 16.924 1.00 74.12 H new ATOM 0 HG2 LYS A 49 1.437 8.747 14.500 1.00 3.21 H new ATOM 0 HG3 LYS A 49 -0.212 8.299 14.112 1.00 3.21 H new ATOM 0 HD2 LYS A 49 0.733 10.697 15.743 1.00 55.10 H new ATOM 0 HD3 LYS A 49 -0.154 10.714 14.232 1.00 55.10 H new ATOM 0 HE2 LYS A 49 -1.207 9.923 16.986 1.00 24.13 H new ATOM 0 HE3 LYS A 49 -1.713 11.285 16.006 1.00 24.13 H new ATOM 0 HZ1 LYS A 49 -3.328 9.970 15.276 1.00 54.14 H new ATOM 0 HZ2 LYS A 49 -2.159 9.101 14.403 1.00 54.14 H new ATOM 0 HZ3 LYS A 49 -2.626 8.578 15.950 1.00 54.14 H new ATOM 839 N ASN A 50 2.873 5.261 16.741 1.00 23.55 N ATOM 840 CA ASN A 50 4.287 4.911 16.871 1.00 23.40 C ATOM 841 C ASN A 50 4.926 4.728 15.485 1.00 22.32 C ATOM 842 O ASN A 50 4.322 4.105 14.600 1.00 50.21 O ATOM 843 CB ASN A 50 4.412 3.606 17.717 1.00 34.50 C ATOM 844 CG ASN A 50 5.839 3.262 18.178 1.00 30.31 C ATOM 845 OD1 ASN A 50 6.830 3.661 17.572 1.00 22.54 O ATOM 846 ND2 ASN A 50 5.950 2.492 19.257 1.00 62.04 N ATOM 0 H ASN A 50 2.266 4.661 17.299 1.00 23.55 H new ATOM 0 HA ASN A 50 4.818 5.718 17.376 1.00 23.40 H new ATOM 0 HB2 ASN A 50 3.775 3.699 18.597 1.00 34.50 H new ATOM 0 HB3 ASN A 50 4.025 2.773 17.130 1.00 34.50 H new ATOM 0 HD21 ASN A 50 6.873 2.221 19.597 1.00 62.04 H new ATOM 0 HD22 ASN A 50 5.113 2.173 19.744 1.00 62.04 H new ATOM 853 N PHE A 51 6.131 5.293 15.326 1.00 52.25 N ATOM 854 CA PHE A 51 6.885 5.267 14.072 1.00 53.15 C ATOM 855 C PHE A 51 7.186 3.811 13.684 1.00 54.40 C ATOM 856 O PHE A 51 8.042 3.156 14.293 1.00 4.53 O ATOM 857 CB PHE A 51 8.180 6.108 14.216 1.00 55.53 C ATOM 858 CG PHE A 51 8.992 6.273 12.923 1.00 61.33 C ATOM 859 CD1 PHE A 51 8.568 7.153 11.919 1.00 1.12 C ATOM 860 CD2 PHE A 51 10.184 5.562 12.715 1.00 31.41 C ATOM 861 CE1 PHE A 51 9.302 7.306 10.756 1.00 43.12 C ATOM 862 CE2 PHE A 51 10.911 5.720 11.549 1.00 61.14 C ATOM 863 CZ PHE A 51 10.473 6.593 10.573 1.00 55.31 C ATOM 0 H PHE A 51 6.613 5.787 16.077 1.00 52.25 H new ATOM 0 HA PHE A 51 6.293 5.712 13.272 1.00 53.15 H new ATOM 0 HB2 PHE A 51 7.914 7.097 14.589 1.00 55.53 H new ATOM 0 HB3 PHE A 51 8.815 5.643 14.970 1.00 55.53 H new ATOM 0 HD1 PHE A 51 7.658 7.718 12.054 1.00 1.12 H new ATOM 0 HD2 PHE A 51 10.538 4.882 13.476 1.00 31.41 H new ATOM 0 HE1 PHE A 51 8.959 7.984 9.989 1.00 43.12 H new ATOM 0 HE2 PHE A 51 11.823 5.160 11.402 1.00 61.14 H new ATOM 0 HZ PHE A 51 11.045 6.719 9.666 1.00 55.31 H new ATOM 873 N GLU A 52 6.416 3.306 12.713 1.00 4.44 N ATOM 874 CA GLU A 52 6.503 1.922 12.266 1.00 4.11 C ATOM 875 C GLU A 52 6.334 1.867 10.748 1.00 53.12 C ATOM 876 O GLU A 52 5.428 2.493 10.195 1.00 64.32 O ATOM 877 CB GLU A 52 5.443 1.048 12.994 1.00 24.30 C ATOM 878 CG GLU A 52 5.505 -0.467 12.661 1.00 44.03 C ATOM 879 CD GLU A 52 6.926 -1.060 12.747 1.00 63.15 C ATOM 880 OE1 GLU A 52 7.494 -1.109 13.862 1.00 53.34 O ATOM 881 OE2 GLU A 52 7.500 -1.448 11.694 1.00 51.10 O ATOM 0 H GLU A 52 5.713 3.854 12.216 1.00 4.44 H new ATOM 0 HA GLU A 52 7.483 1.517 12.517 1.00 4.11 H new ATOM 0 HB2 GLU A 52 5.566 1.174 14.070 1.00 24.30 H new ATOM 0 HB3 GLU A 52 4.450 1.420 12.741 1.00 24.30 H new ATOM 0 HG2 GLU A 52 4.852 -1.008 13.346 1.00 44.03 H new ATOM 0 HG3 GLU A 52 5.114 -0.626 11.656 1.00 44.03 H new ATOM 888 N LYS A 53 7.233 1.114 10.111 1.00 73.15 N ATOM 889 CA LYS A 53 7.289 0.936 8.665 1.00 41.41 C ATOM 890 C LYS A 53 6.456 -0.303 8.281 1.00 52.14 C ATOM 891 O LYS A 53 6.993 -1.413 8.182 1.00 60.44 O ATOM 892 CB LYS A 53 8.774 0.759 8.249 1.00 61.23 C ATOM 893 CG LYS A 53 9.702 1.951 8.598 1.00 43.23 C ATOM 894 CD LYS A 53 11.213 1.622 8.400 1.00 54.20 C ATOM 895 CE LYS A 53 11.852 0.835 9.576 1.00 72.41 C ATOM 896 NZ LYS A 53 11.172 -0.452 9.895 1.00 43.13 N ATOM 0 H LYS A 53 7.962 0.598 10.604 1.00 73.15 H new ATOM 0 HA LYS A 53 6.877 1.803 8.148 1.00 41.41 H new ATOM 0 HB2 LYS A 53 9.165 -0.138 8.729 1.00 61.23 H new ATOM 0 HB3 LYS A 53 8.816 0.589 7.173 1.00 61.23 H new ATOM 0 HG2 LYS A 53 9.437 2.806 7.976 1.00 43.23 H new ATOM 0 HG3 LYS A 53 9.532 2.246 9.634 1.00 43.23 H new ATOM 0 HD2 LYS A 53 11.330 1.043 7.484 1.00 54.20 H new ATOM 0 HD3 LYS A 53 11.761 2.554 8.261 1.00 54.20 H new ATOM 0 HE2 LYS A 53 12.896 0.631 9.337 1.00 72.41 H new ATOM 0 HE3 LYS A 53 11.846 1.465 10.465 1.00 72.41 H new ATOM 0 HZ1 LYS A 53 11.659 -0.914 10.689 1.00 43.13 H new ATOM 0 HZ2 LYS A 53 10.183 -0.266 10.156 1.00 43.13 H new ATOM 0 HZ3 LYS A 53 11.199 -1.075 9.063 1.00 43.13 H new ATOM 910 N ILE A 54 5.138 -0.118 8.118 1.00 35.00 N ATOM 911 CA ILE A 54 4.212 -1.232 7.833 1.00 1.14 C ATOM 912 C ILE A 54 3.958 -1.355 6.322 1.00 2.10 C ATOM 913 O ILE A 54 3.641 -0.366 5.657 1.00 21.02 O ATOM 914 CB ILE A 54 2.827 -1.069 8.568 1.00 73.21 C ATOM 915 CG1 ILE A 54 3.032 -0.869 10.095 1.00 31.20 C ATOM 916 CG2 ILE A 54 1.911 -2.295 8.303 1.00 54.34 C ATOM 917 CD1 ILE A 54 1.753 -0.700 10.902 1.00 21.31 C ATOM 0 H ILE A 54 4.685 0.794 8.178 1.00 35.00 H new ATOM 0 HA ILE A 54 4.695 -2.134 8.208 1.00 1.14 H new ATOM 0 HB ILE A 54 2.338 -0.181 8.166 1.00 73.21 H new ATOM 0 HG12 ILE A 54 3.580 -1.726 10.487 1.00 31.20 H new ATOM 0 HG13 ILE A 54 3.659 0.009 10.250 1.00 31.20 H new ATOM 0 HG21 ILE A 54 0.962 -2.159 8.821 1.00 54.34 H new ATOM 0 HG22 ILE A 54 1.730 -2.389 7.232 1.00 54.34 H new ATOM 0 HG23 ILE A 54 2.398 -3.199 8.670 1.00 54.34 H new ATOM 0 HD11 ILE A 54 2.002 -0.567 11.955 1.00 21.31 H new ATOM 0 HD12 ILE A 54 1.210 0.175 10.544 1.00 21.31 H new ATOM 0 HD13 ILE A 54 1.130 -1.587 10.786 1.00 21.31 H new ATOM 929 N LEU A 55 4.119 -2.576 5.800 1.00 1.31 N ATOM 930 CA LEU A 55 3.672 -2.951 4.460 1.00 41.01 C ATOM 931 C LEU A 55 2.309 -3.654 4.606 1.00 33.13 C ATOM 932 O LEU A 55 2.231 -4.717 5.215 1.00 45.13 O ATOM 933 CB LEU A 55 4.682 -3.922 3.793 1.00 45.30 C ATOM 934 CG LEU A 55 4.419 -4.217 2.275 1.00 64.53 C ATOM 935 CD1 LEU A 55 4.881 -3.031 1.401 1.00 12.02 C ATOM 936 CD2 LEU A 55 5.058 -5.546 1.827 1.00 64.21 C ATOM 0 H LEU A 55 4.570 -3.339 6.305 1.00 1.31 H new ATOM 0 HA LEU A 55 3.594 -2.062 3.834 1.00 41.01 H new ATOM 0 HB2 LEU A 55 5.684 -3.507 3.898 1.00 45.30 H new ATOM 0 HB3 LEU A 55 4.669 -4.866 4.338 1.00 45.30 H new ATOM 0 HG LEU A 55 3.344 -4.332 2.140 1.00 64.53 H new ATOM 0 HD11 LEU A 55 4.690 -3.256 0.352 1.00 12.02 H new ATOM 0 HD12 LEU A 55 4.332 -2.134 1.686 1.00 12.02 H new ATOM 0 HD13 LEU A 55 5.948 -2.865 1.548 1.00 12.02 H new ATOM 0 HD21 LEU A 55 4.851 -5.711 0.770 1.00 64.21 H new ATOM 0 HD22 LEU A 55 6.136 -5.502 1.984 1.00 64.21 H new ATOM 0 HD23 LEU A 55 4.639 -6.366 2.411 1.00 64.21 H new ATOM 948 N ILE A 56 1.243 -3.054 4.073 1.00 14.31 N ATOM 949 CA ILE A 56 -0.099 -3.652 4.105 1.00 33.22 C ATOM 950 C ILE A 56 -0.307 -4.497 2.840 1.00 24.50 C ATOM 951 O ILE A 56 -0.303 -3.974 1.721 1.00 13.13 O ATOM 952 CB ILE A 56 -1.217 -2.559 4.206 1.00 4.44 C ATOM 953 CG1 ILE A 56 -1.096 -1.754 5.541 1.00 73.11 C ATOM 954 CG2 ILE A 56 -2.639 -3.171 4.048 1.00 70.41 C ATOM 955 CD1 ILE A 56 -1.264 -2.586 6.796 1.00 45.43 C ATOM 0 H ILE A 56 1.281 -2.146 3.609 1.00 14.31 H new ATOM 0 HA ILE A 56 -0.172 -4.281 4.992 1.00 33.22 H new ATOM 0 HB ILE A 56 -1.069 -1.866 3.378 1.00 4.44 H new ATOM 0 HG12 ILE A 56 -0.120 -1.269 5.570 1.00 73.11 H new ATOM 0 HG13 ILE A 56 -1.846 -0.963 5.542 1.00 73.11 H new ATOM 0 HG21 ILE A 56 -3.386 -2.381 4.124 1.00 70.41 H new ATOM 0 HG22 ILE A 56 -2.721 -3.655 3.075 1.00 70.41 H new ATOM 0 HG23 ILE A 56 -2.808 -3.907 4.834 1.00 70.41 H new ATOM 0 HD11 ILE A 56 -1.165 -1.946 7.673 1.00 45.43 H new ATOM 0 HD12 ILE A 56 -2.250 -3.050 6.795 1.00 45.43 H new ATOM 0 HD13 ILE A 56 -0.498 -3.361 6.824 1.00 45.43 H new ATOM 967 N LYS A 57 -0.450 -5.805 3.046 1.00 50.33 N ATOM 968 CA LYS A 57 -0.770 -6.767 2.003 1.00 32.21 C ATOM 969 C LYS A 57 -2.295 -6.974 1.976 1.00 2.21 C ATOM 970 O LYS A 57 -2.888 -7.316 3.001 1.00 12.41 O ATOM 971 CB LYS A 57 0.006 -8.089 2.307 1.00 72.43 C ATOM 972 CG LYS A 57 -0.236 -9.265 1.325 1.00 11.14 C ATOM 973 CD LYS A 57 -1.419 -10.194 1.721 1.00 14.45 C ATOM 974 CE LYS A 57 -1.660 -11.317 0.709 1.00 51.42 C ATOM 975 NZ LYS A 57 -2.756 -12.229 1.116 1.00 10.22 N ATOM 0 H LYS A 57 -0.343 -6.231 3.966 1.00 50.33 H new ATOM 0 HA LYS A 57 -0.468 -6.415 1.017 1.00 32.21 H new ATOM 0 HB2 LYS A 57 1.073 -7.866 2.318 1.00 72.43 H new ATOM 0 HB3 LYS A 57 -0.261 -8.420 3.311 1.00 72.43 H new ATOM 0 HG2 LYS A 57 -0.424 -8.860 0.331 1.00 11.14 H new ATOM 0 HG3 LYS A 57 0.674 -9.862 1.260 1.00 11.14 H new ATOM 0 HD2 LYS A 57 -1.220 -10.631 2.700 1.00 14.45 H new ATOM 0 HD3 LYS A 57 -2.326 -9.598 1.817 1.00 14.45 H new ATOM 0 HE2 LYS A 57 -1.897 -10.881 -0.261 1.00 51.42 H new ATOM 0 HE3 LYS A 57 -0.742 -11.892 0.585 1.00 51.42 H new ATOM 0 HZ1 LYS A 57 -2.425 -13.214 1.066 1.00 10.22 H new ATOM 0 HZ2 LYS A 57 -3.046 -12.010 2.090 1.00 10.22 H new ATOM 0 HZ3 LYS A 57 -3.567 -12.104 0.477 1.00 10.22 H new ATOM 989 N SER A 58 -2.920 -6.750 0.809 1.00 21.23 N ATOM 990 CA SER A 58 -4.354 -7.005 0.598 1.00 21.03 C ATOM 991 C SER A 58 -4.615 -7.339 -0.884 1.00 75.22 C ATOM 992 O SER A 58 -3.706 -7.274 -1.725 1.00 42.34 O ATOM 993 CB SER A 58 -5.183 -5.787 1.063 1.00 70.55 C ATOM 994 OG SER A 58 -6.584 -6.005 0.935 1.00 3.41 O ATOM 0 H SER A 58 -2.444 -6.386 -0.017 1.00 21.23 H new ATOM 0 HA SER A 58 -4.663 -7.864 1.194 1.00 21.03 H new ATOM 0 HB2 SER A 58 -4.946 -5.565 2.103 1.00 70.55 H new ATOM 0 HB3 SER A 58 -4.899 -4.912 0.478 1.00 70.55 H new ATOM 0 HG SER A 58 -6.859 -6.727 1.538 1.00 3.41 H new ATOM 1000 N ASN A 59 -5.866 -7.719 -1.185 1.00 23.43 N ATOM 1001 CA ASN A 59 -6.290 -8.194 -2.521 1.00 31.21 C ATOM 1002 C ASN A 59 -7.639 -7.575 -2.930 1.00 13.10 C ATOM 1003 O ASN A 59 -8.228 -7.980 -3.941 1.00 63.42 O ATOM 1004 CB ASN A 59 -6.384 -9.747 -2.507 1.00 22.33 C ATOM 1005 CG ASN A 59 -7.484 -10.266 -1.562 1.00 15.11 C ATOM 1006 OD1 ASN A 59 -8.612 -10.542 -1.980 1.00 41.11 O ATOM 1007 ND2 ASN A 59 -7.167 -10.378 -0.285 1.00 4.21 N ATOM 0 H ASN A 59 -6.624 -7.707 -0.503 1.00 23.43 H new ATOM 0 HA ASN A 59 -5.549 -7.881 -3.257 1.00 31.21 H new ATOM 0 HB2 ASN A 59 -6.580 -10.104 -3.518 1.00 22.33 H new ATOM 0 HB3 ASN A 59 -5.423 -10.163 -2.203 1.00 22.33 H new ATOM 0 HD21 ASN A 59 -7.863 -10.700 0.387 1.00 4.21 H new ATOM 0 HD22 ASN A 59 -6.226 -10.142 0.029 1.00 4.21 H new ATOM 1014 N ASP A 60 -8.105 -6.580 -2.162 1.00 45.41 N ATOM 1015 CA ASP A 60 -9.388 -5.902 -2.417 1.00 52.24 C ATOM 1016 C ASP A 60 -9.148 -4.385 -2.468 1.00 43.05 C ATOM 1017 O ASP A 60 -8.883 -3.773 -1.435 1.00 44.14 O ATOM 1018 CB ASP A 60 -10.412 -6.270 -1.314 1.00 22.10 C ATOM 1019 CG ASP A 60 -11.818 -5.691 -1.579 1.00 42.50 C ATOM 1020 OD1 ASP A 60 -12.097 -4.542 -1.167 1.00 35.34 O ATOM 1021 OD2 ASP A 60 -12.652 -6.377 -2.219 1.00 42.05 O ATOM 0 H ASP A 60 -7.606 -6.222 -1.348 1.00 45.41 H new ATOM 0 HA ASP A 60 -9.799 -6.227 -3.373 1.00 52.24 H new ATOM 0 HB2 ASP A 60 -10.481 -7.355 -1.237 1.00 22.10 H new ATOM 0 HB3 ASP A 60 -10.050 -5.905 -0.353 1.00 22.10 H new ATOM 1026 N LYS A 61 -9.255 -3.810 -3.682 1.00 32.10 N ATOM 1027 CA LYS A 61 -9.008 -2.374 -3.961 1.00 32.33 C ATOM 1028 C LYS A 61 -9.816 -1.439 -3.034 1.00 11.24 C ATOM 1029 O LYS A 61 -9.319 -0.387 -2.615 1.00 64.31 O ATOM 1030 CB LYS A 61 -9.369 -2.066 -5.448 1.00 31.14 C ATOM 1031 CG LYS A 61 -10.845 -2.383 -5.803 1.00 33.30 C ATOM 1032 CD LYS A 61 -11.244 -2.037 -7.252 1.00 74.34 C ATOM 1033 CE LYS A 61 -12.704 -2.410 -7.550 1.00 72.32 C ATOM 1034 NZ LYS A 61 -13.080 -2.109 -8.951 1.00 44.00 N ATOM 0 H LYS A 61 -9.520 -4.337 -4.514 1.00 32.10 H new ATOM 0 HA LYS A 61 -7.951 -2.184 -3.772 1.00 32.33 H new ATOM 0 HB2 LYS A 61 -9.173 -1.013 -5.651 1.00 31.14 H new ATOM 0 HB3 LYS A 61 -8.714 -2.644 -6.100 1.00 31.14 H new ATOM 0 HG2 LYS A 61 -11.026 -3.444 -5.634 1.00 33.30 H new ATOM 0 HG3 LYS A 61 -11.495 -1.836 -5.120 1.00 33.30 H new ATOM 0 HD2 LYS A 61 -11.100 -0.970 -7.423 1.00 74.34 H new ATOM 0 HD3 LYS A 61 -10.587 -2.563 -7.945 1.00 74.34 H new ATOM 0 HE2 LYS A 61 -12.854 -3.472 -7.355 1.00 72.32 H new ATOM 0 HE3 LYS A 61 -13.362 -1.866 -6.873 1.00 72.32 H new ATOM 0 HZ1 LYS A 61 -13.856 -2.736 -9.244 1.00 44.00 H new ATOM 0 HZ2 LYS A 61 -13.389 -1.118 -9.022 1.00 44.00 H new ATOM 0 HZ3 LYS A 61 -12.259 -2.261 -9.571 1.00 44.00 H new ATOM 1048 N GLN A 62 -11.054 -1.860 -2.700 1.00 0.03 N ATOM 1049 CA GLN A 62 -12.016 -1.013 -1.999 1.00 1.42 C ATOM 1050 C GLN A 62 -11.586 -0.823 -0.547 1.00 51.45 C ATOM 1051 O GLN A 62 -11.671 0.291 -0.044 1.00 74.40 O ATOM 1052 CB GLN A 62 -13.458 -1.581 -2.096 1.00 55.41 C ATOM 1053 CG GLN A 62 -14.041 -1.631 -3.526 1.00 71.02 C ATOM 1054 CD GLN A 62 -14.029 -0.257 -4.210 1.00 54.04 C ATOM 1055 OE1 GLN A 62 -13.084 0.095 -4.918 1.00 52.43 O ATOM 1056 NE2 GLN A 62 -15.054 0.546 -3.963 1.00 60.00 N ATOM 0 H GLN A 62 -11.405 -2.794 -2.912 1.00 0.03 H new ATOM 0 HA GLN A 62 -12.030 -0.037 -2.485 1.00 1.42 H new ATOM 0 HB2 GLN A 62 -13.465 -2.589 -1.681 1.00 55.41 H new ATOM 0 HB3 GLN A 62 -14.115 -0.975 -1.472 1.00 55.41 H new ATOM 0 HG2 GLN A 62 -13.467 -2.337 -4.125 1.00 71.02 H new ATOM 0 HG3 GLN A 62 -15.064 -2.005 -3.486 1.00 71.02 H new ATOM 0 HE21 GLN A 62 -15.822 0.226 -3.373 1.00 60.00 H new ATOM 0 HE22 GLN A 62 -15.075 1.484 -4.363 1.00 60.00 H new ATOM 1065 N LEU A 63 -11.069 -1.905 0.094 1.00 4.03 N ATOM 1066 CA LEU A 63 -10.531 -1.840 1.474 1.00 32.30 C ATOM 1067 C LEU A 63 -9.466 -0.737 1.597 1.00 22.14 C ATOM 1068 O LEU A 63 -9.447 0.010 2.573 1.00 33.31 O ATOM 1069 CB LEU A 63 -9.905 -3.201 1.910 1.00 22.35 C ATOM 1070 CG LEU A 63 -10.886 -4.399 2.103 1.00 44.21 C ATOM 1071 CD1 LEU A 63 -10.128 -5.674 2.528 1.00 32.50 C ATOM 1072 CD2 LEU A 63 -12.004 -4.054 3.110 1.00 21.30 C ATOM 0 H LEU A 63 -11.015 -2.833 -0.326 1.00 4.03 H new ATOM 0 HA LEU A 63 -11.371 -1.611 2.130 1.00 32.30 H new ATOM 0 HB2 LEU A 63 -9.162 -3.487 1.165 1.00 22.35 H new ATOM 0 HB3 LEU A 63 -9.372 -3.044 2.848 1.00 22.35 H new ATOM 0 HG LEU A 63 -11.359 -4.596 1.141 1.00 44.21 H new ATOM 0 HD11 LEU A 63 -10.836 -6.493 2.655 1.00 32.50 H new ATOM 0 HD12 LEU A 63 -9.402 -5.939 1.760 1.00 32.50 H new ATOM 0 HD13 LEU A 63 -9.610 -5.492 3.470 1.00 32.50 H new ATOM 0 HD21 LEU A 63 -12.670 -4.910 3.222 1.00 21.30 H new ATOM 0 HD22 LEU A 63 -11.561 -3.810 4.076 1.00 21.30 H new ATOM 0 HD23 LEU A 63 -12.571 -3.198 2.745 1.00 21.30 H new ATOM 1084 N LEU A 64 -8.607 -0.641 0.563 1.00 71.11 N ATOM 1085 CA LEU A 64 -7.479 0.300 0.530 1.00 30.20 C ATOM 1086 C LEU A 64 -7.968 1.752 0.411 1.00 62.33 C ATOM 1087 O LEU A 64 -7.470 2.625 1.123 1.00 63.53 O ATOM 1088 CB LEU A 64 -6.481 -0.052 -0.617 1.00 13.24 C ATOM 1089 CG LEU A 64 -5.540 -1.282 -0.359 1.00 4.51 C ATOM 1090 CD1 LEU A 64 -6.317 -2.594 -0.215 1.00 42.32 C ATOM 1091 CD2 LEU A 64 -4.472 -1.408 -1.451 1.00 2.13 C ATOM 0 H LEU A 64 -8.680 -1.218 -0.275 1.00 71.11 H new ATOM 0 HA LEU A 64 -6.945 0.206 1.475 1.00 30.20 H new ATOM 0 HB2 LEU A 64 -7.054 -0.243 -1.524 1.00 13.24 H new ATOM 0 HB3 LEU A 64 -5.859 0.822 -0.811 1.00 13.24 H new ATOM 0 HG LEU A 64 -5.042 -1.093 0.592 1.00 4.51 H new ATOM 0 HD11 LEU A 64 -5.619 -3.413 -0.038 1.00 42.32 H new ATOM 0 HD12 LEU A 64 -7.007 -2.518 0.625 1.00 42.32 H new ATOM 0 HD13 LEU A 64 -6.878 -2.787 -1.129 1.00 42.32 H new ATOM 0 HD21 LEU A 64 -3.838 -2.269 -1.242 1.00 2.13 H new ATOM 0 HD22 LEU A 64 -4.955 -1.540 -2.419 1.00 2.13 H new ATOM 0 HD23 LEU A 64 -3.862 -0.505 -1.470 1.00 2.13 H new ATOM 1103 N LYS A 65 -8.959 1.999 -0.473 1.00 64.35 N ATOM 1104 CA LYS A 65 -9.502 3.340 -0.696 1.00 64.21 C ATOM 1105 C LYS A 65 -10.228 3.833 0.573 1.00 42.42 C ATOM 1106 O LYS A 65 -10.034 4.969 1.010 1.00 60.20 O ATOM 1107 CB LYS A 65 -10.477 3.310 -1.898 1.00 53.24 C ATOM 1108 CG LYS A 65 -10.724 4.684 -2.548 1.00 45.42 C ATOM 1109 CD LYS A 65 -11.794 4.628 -3.657 1.00 75.22 C ATOM 1110 CE LYS A 65 -13.229 4.527 -3.100 1.00 21.25 C ATOM 1111 NZ LYS A 65 -13.618 5.750 -2.339 1.00 43.13 N ATOM 0 H LYS A 65 -9.396 1.275 -1.044 1.00 64.35 H new ATOM 0 HA LYS A 65 -8.687 4.029 -0.918 1.00 64.21 H new ATOM 0 HB2 LYS A 65 -10.084 2.629 -2.653 1.00 53.24 H new ATOM 0 HB3 LYS A 65 -11.431 2.901 -1.567 1.00 53.24 H new ATOM 0 HG2 LYS A 65 -11.036 5.394 -1.782 1.00 45.42 H new ATOM 0 HG3 LYS A 65 -9.790 5.057 -2.967 1.00 45.42 H new ATOM 0 HD2 LYS A 65 -11.713 5.519 -4.279 1.00 75.22 H new ATOM 0 HD3 LYS A 65 -11.598 3.771 -4.301 1.00 75.22 H new ATOM 0 HE2 LYS A 65 -13.928 4.374 -3.922 1.00 21.25 H new ATOM 0 HE3 LYS A 65 -13.306 3.655 -2.450 1.00 21.25 H new ATOM 0 HZ1 LYS A 65 -14.636 5.718 -2.127 1.00 43.13 H new ATOM 0 HZ2 LYS A 65 -13.080 5.791 -1.450 1.00 43.13 H new ATOM 0 HZ3 LYS A 65 -13.409 6.595 -2.909 1.00 43.13 H new ATOM 1125 N GLU A 66 -11.041 2.918 1.160 1.00 63.35 N ATOM 1126 CA GLU A 66 -11.827 3.148 2.390 1.00 52.21 C ATOM 1127 C GLU A 66 -10.914 3.359 3.609 1.00 32.23 C ATOM 1128 O GLU A 66 -11.275 4.087 4.543 1.00 51.32 O ATOM 1129 CB GLU A 66 -12.793 1.958 2.643 1.00 42.20 C ATOM 1130 CG GLU A 66 -13.849 1.752 1.546 1.00 53.35 C ATOM 1131 CD GLU A 66 -14.741 0.533 1.820 1.00 21.33 C ATOM 1132 OE1 GLU A 66 -15.697 0.652 2.619 1.00 33.23 O ATOM 1133 OE2 GLU A 66 -14.484 -0.553 1.258 1.00 55.45 O ATOM 0 H GLU A 66 -11.168 1.980 0.779 1.00 63.35 H new ATOM 0 HA GLU A 66 -12.411 4.057 2.247 1.00 52.21 H new ATOM 0 HB2 GLU A 66 -12.206 1.045 2.741 1.00 42.20 H new ATOM 0 HB3 GLU A 66 -13.301 2.115 3.594 1.00 42.20 H new ATOM 0 HG2 GLU A 66 -14.470 2.645 1.470 1.00 53.35 H new ATOM 0 HG3 GLU A 66 -13.351 1.627 0.584 1.00 53.35 H new ATOM 1140 N MET A 67 -9.735 2.703 3.584 1.00 23.11 N ATOM 1141 CA MET A 67 -8.696 2.882 4.609 1.00 5.42 C ATOM 1142 C MET A 67 -8.204 4.336 4.564 1.00 44.50 C ATOM 1143 O MET A 67 -8.145 5.008 5.590 1.00 12.23 O ATOM 1144 CB MET A 67 -7.501 1.910 4.369 1.00 42.22 C ATOM 1145 CG MET A 67 -6.451 1.900 5.494 1.00 11.30 C ATOM 1146 SD MET A 67 -4.937 1.015 5.064 1.00 13.44 S ATOM 1147 CE MET A 67 -5.522 -0.666 4.885 1.00 45.32 C ATOM 0 H MET A 67 -9.481 2.038 2.854 1.00 23.11 H new ATOM 0 HA MET A 67 -9.119 2.658 5.588 1.00 5.42 H new ATOM 0 HB2 MET A 67 -7.890 0.900 4.244 1.00 42.22 H new ATOM 0 HB3 MET A 67 -7.011 2.181 3.434 1.00 42.22 H new ATOM 0 HG2 MET A 67 -6.199 2.928 5.753 1.00 11.30 H new ATOM 0 HG3 MET A 67 -6.888 1.445 6.383 1.00 11.30 H new ATOM 0 HE1 MET A 67 -4.909 -1.331 5.493 1.00 45.32 H new ATOM 0 HE2 MET A 67 -6.560 -0.727 5.213 1.00 45.32 H new ATOM 0 HE3 MET A 67 -5.454 -0.966 3.839 1.00 45.32 H new ATOM 1157 N LEU A 68 -7.932 4.808 3.331 1.00 40.32 N ATOM 1158 CA LEU A 68 -7.389 6.149 3.056 1.00 52.24 C ATOM 1159 C LEU A 68 -8.433 7.262 3.290 1.00 44.24 C ATOM 1160 O LEU A 68 -8.060 8.430 3.469 1.00 54.10 O ATOM 1161 CB LEU A 68 -6.847 6.186 1.606 1.00 52.32 C ATOM 1162 CG LEU A 68 -5.651 5.222 1.320 1.00 62.32 C ATOM 1163 CD1 LEU A 68 -5.350 5.109 -0.181 1.00 53.11 C ATOM 1164 CD2 LEU A 68 -4.394 5.648 2.101 1.00 0.20 C ATOM 0 H LEU A 68 -8.087 4.258 2.486 1.00 40.32 H new ATOM 0 HA LEU A 68 -6.576 6.343 3.756 1.00 52.24 H new ATOM 0 HB2 LEU A 68 -7.661 5.942 0.924 1.00 52.32 H new ATOM 0 HB3 LEU A 68 -6.535 7.205 1.377 1.00 52.32 H new ATOM 0 HG LEU A 68 -5.949 4.233 1.667 1.00 62.32 H new ATOM 0 HD11 LEU A 68 -4.512 4.429 -0.334 1.00 53.11 H new ATOM 0 HD12 LEU A 68 -6.228 4.725 -0.700 1.00 53.11 H new ATOM 0 HD13 LEU A 68 -5.096 6.093 -0.576 1.00 53.11 H new ATOM 0 HD21 LEU A 68 -3.579 4.959 1.882 1.00 0.20 H new ATOM 0 HD22 LEU A 68 -4.106 6.657 1.805 1.00 0.20 H new ATOM 0 HD23 LEU A 68 -4.607 5.631 3.170 1.00 0.20 H new ATOM 1176 N GLU A 69 -9.743 6.896 3.281 1.00 52.20 N ATOM 1177 CA GLU A 69 -10.824 7.821 3.684 1.00 43.13 C ATOM 1178 C GLU A 69 -10.694 8.148 5.185 1.00 14.11 C ATOM 1179 O GLU A 69 -11.003 9.261 5.620 1.00 10.43 O ATOM 1180 CB GLU A 69 -12.248 7.235 3.411 1.00 71.32 C ATOM 1181 CG GLU A 69 -12.522 6.753 1.961 1.00 1.12 C ATOM 1182 CD GLU A 69 -12.434 7.813 0.838 1.00 34.03 C ATOM 1183 OE1 GLU A 69 -12.536 9.025 1.110 1.00 44.31 O ATOM 1184 OE2 GLU A 69 -12.285 7.418 -0.344 1.00 5.43 O ATOM 0 H GLU A 69 -10.069 5.971 3.000 1.00 52.20 H new ATOM 0 HA GLU A 69 -10.715 8.723 3.082 1.00 43.13 H new ATOM 0 HB2 GLU A 69 -12.409 6.396 4.088 1.00 71.32 H new ATOM 0 HB3 GLU A 69 -12.986 7.996 3.665 1.00 71.32 H new ATOM 0 HG2 GLU A 69 -11.815 5.956 1.730 1.00 1.12 H new ATOM 0 HG3 GLU A 69 -13.519 6.313 1.933 1.00 1.12 H new ATOM 1191 N LEU A 70 -10.264 7.138 5.974 1.00 53.13 N ATOM 1192 CA LEU A 70 -10.056 7.282 7.424 1.00 73.23 C ATOM 1193 C LEU A 70 -8.642 7.826 7.745 1.00 43.40 C ATOM 1194 O LEU A 70 -8.460 8.529 8.748 1.00 42.40 O ATOM 1195 CB LEU A 70 -10.307 5.926 8.141 1.00 3.22 C ATOM 1196 CG LEU A 70 -11.693 5.242 7.868 1.00 64.44 C ATOM 1197 CD1 LEU A 70 -11.906 4.011 8.773 1.00 44.51 C ATOM 1198 CD2 LEU A 70 -12.864 6.244 8.002 1.00 20.13 C ATOM 0 H LEU A 70 -10.053 6.205 5.620 1.00 53.13 H new ATOM 0 HA LEU A 70 -10.775 8.011 7.797 1.00 73.23 H new ATOM 0 HB2 LEU A 70 -9.519 5.232 7.847 1.00 3.22 H new ATOM 0 HB3 LEU A 70 -10.209 6.083 9.215 1.00 3.22 H new ATOM 0 HG LEU A 70 -11.678 4.894 6.835 1.00 64.44 H new ATOM 0 HD11 LEU A 70 -12.876 3.563 8.556 1.00 44.51 H new ATOM 0 HD12 LEU A 70 -11.119 3.281 8.585 1.00 44.51 H new ATOM 0 HD13 LEU A 70 -11.874 4.318 9.818 1.00 44.51 H new ATOM 0 HD21 LEU A 70 -13.806 5.731 7.805 1.00 20.13 H new ATOM 0 HD22 LEU A 70 -12.878 6.654 9.012 1.00 20.13 H new ATOM 0 HD23 LEU A 70 -12.734 7.053 7.283 1.00 20.13 H new ATOM 1210 N ILE A 71 -7.644 7.499 6.885 1.00 55.44 N ATOM 1211 CA ILE A 71 -6.239 7.946 7.066 1.00 25.21 C ATOM 1212 C ILE A 71 -6.111 9.453 6.783 1.00 33.22 C ATOM 1213 O ILE A 71 -5.260 10.114 7.369 1.00 21.21 O ATOM 1214 CB ILE A 71 -5.217 7.121 6.169 1.00 60.43 C ATOM 1215 CG1 ILE A 71 -5.179 5.627 6.617 1.00 4.34 C ATOM 1216 CG2 ILE A 71 -3.785 7.730 6.190 1.00 23.43 C ATOM 1217 CD1 ILE A 71 -4.236 4.734 5.823 1.00 34.21 C ATOM 0 H ILE A 71 -7.788 6.924 6.055 1.00 55.44 H new ATOM 0 HA ILE A 71 -5.976 7.755 8.106 1.00 25.21 H new ATOM 0 HB ILE A 71 -5.576 7.178 5.141 1.00 60.43 H new ATOM 0 HG12 ILE A 71 -4.892 5.587 7.668 1.00 4.34 H new ATOM 0 HG13 ILE A 71 -6.187 5.218 6.546 1.00 4.34 H new ATOM 0 HG21 ILE A 71 -3.125 7.130 5.563 1.00 23.43 H new ATOM 0 HG22 ILE A 71 -3.818 8.751 5.810 1.00 23.43 H new ATOM 0 HG23 ILE A 71 -3.407 7.736 7.212 1.00 23.43 H new ATOM 0 HD11 ILE A 71 -4.284 3.717 6.213 1.00 34.21 H new ATOM 0 HD12 ILE A 71 -4.531 4.735 4.774 1.00 34.21 H new ATOM 0 HD13 ILE A 71 -3.217 5.110 5.913 1.00 34.21 H new ATOM 1229 N SER A 72 -6.977 9.988 5.896 1.00 23.22 N ATOM 1230 CA SER A 72 -7.002 11.430 5.564 1.00 42.20 C ATOM 1231 C SER A 72 -7.341 12.283 6.806 1.00 23.32 C ATOM 1232 O SER A 72 -6.874 13.420 6.933 1.00 2.12 O ATOM 1233 CB SER A 72 -8.004 11.698 4.419 1.00 34.34 C ATOM 1234 OG SER A 72 -9.302 11.264 4.774 1.00 41.53 O ATOM 0 H SER A 72 -7.674 9.438 5.393 1.00 23.22 H new ATOM 0 HA SER A 72 -6.007 11.721 5.228 1.00 42.20 H new ATOM 0 HB2 SER A 72 -8.023 12.763 4.188 1.00 34.34 H new ATOM 0 HB3 SER A 72 -7.678 11.182 3.516 1.00 34.34 H new ATOM 0 HG SER A 72 -9.274 10.316 5.019 1.00 41.53 H new ATOM 1240 N LYS A 73 -8.150 11.699 7.716 1.00 75.45 N ATOM 1241 CA LYS A 73 -8.491 12.307 9.019 1.00 60.34 C ATOM 1242 C LYS A 73 -7.235 12.416 9.903 1.00 24.15 C ATOM 1243 O LYS A 73 -7.003 13.431 10.570 1.00 72.41 O ATOM 1244 CB LYS A 73 -9.551 11.438 9.751 1.00 23.32 C ATOM 1245 CG LYS A 73 -10.810 11.148 8.920 1.00 50.10 C ATOM 1246 CD LYS A 73 -11.813 10.229 9.655 1.00 1.44 C ATOM 1247 CE LYS A 73 -13.101 10.019 8.851 1.00 32.00 C ATOM 1248 NZ LYS A 73 -13.819 11.300 8.622 1.00 12.14 N ATOM 0 H LYS A 73 -8.586 10.789 7.566 1.00 75.45 H new ATOM 0 HA LYS A 73 -8.894 13.303 8.838 1.00 60.34 H new ATOM 0 HB2 LYS A 73 -9.093 10.492 10.038 1.00 23.32 H new ATOM 0 HB3 LYS A 73 -9.845 11.942 10.672 1.00 23.32 H new ATOM 0 HG2 LYS A 73 -11.301 12.089 8.672 1.00 50.10 H new ATOM 0 HG3 LYS A 73 -10.519 10.682 7.979 1.00 50.10 H new ATOM 0 HD2 LYS A 73 -11.345 9.264 9.847 1.00 1.44 H new ATOM 0 HD3 LYS A 73 -12.058 10.663 10.624 1.00 1.44 H new ATOM 0 HE2 LYS A 73 -12.861 9.560 7.892 1.00 32.00 H new ATOM 0 HE3 LYS A 73 -13.753 9.326 9.382 1.00 32.00 H new ATOM 0 HZ1 LYS A 73 -14.779 11.102 8.275 1.00 12.14 H new ATOM 0 HZ2 LYS A 73 -13.875 11.831 9.515 1.00 12.14 H new ATOM 0 HZ3 LYS A 73 -13.305 11.864 7.915 1.00 12.14 H new ATOM 1262 N LEU A 74 -6.441 11.335 9.877 1.00 34.11 N ATOM 1263 CA LEU A 74 -5.221 11.185 10.688 1.00 40.51 C ATOM 1264 C LEU A 74 -4.087 12.078 10.142 1.00 31.24 C ATOM 1265 O LEU A 74 -3.336 12.689 10.904 1.00 42.51 O ATOM 1266 CB LEU A 74 -4.818 9.680 10.705 1.00 45.53 C ATOM 1267 CG LEU A 74 -5.938 8.703 11.203 1.00 60.30 C ATOM 1268 CD1 LEU A 74 -5.512 7.227 11.078 1.00 53.34 C ATOM 1269 CD2 LEU A 74 -6.377 9.053 12.645 1.00 21.23 C ATOM 0 H LEU A 74 -6.630 10.528 9.283 1.00 34.11 H new ATOM 0 HA LEU A 74 -5.410 11.512 11.711 1.00 40.51 H new ATOM 0 HB2 LEU A 74 -4.522 9.387 9.698 1.00 45.53 H new ATOM 0 HB3 LEU A 74 -3.942 9.561 11.343 1.00 45.53 H new ATOM 0 HG LEU A 74 -6.802 8.835 10.552 1.00 60.30 H new ATOM 0 HD11 LEU A 74 -6.317 6.584 11.434 1.00 53.34 H new ATOM 0 HD12 LEU A 74 -5.299 6.997 10.034 1.00 53.34 H new ATOM 0 HD13 LEU A 74 -4.618 7.054 11.677 1.00 53.34 H new ATOM 0 HD21 LEU A 74 -7.155 8.360 12.967 1.00 21.23 H new ATOM 0 HD22 LEU A 74 -5.521 8.974 13.315 1.00 21.23 H new ATOM 0 HD23 LEU A 74 -6.765 10.071 12.670 1.00 21.23 H new ATOM 1281 N GLY A 75 -4.013 12.161 8.811 1.00 11.32 N ATOM 1282 CA GLY A 75 -3.033 12.970 8.116 1.00 25.53 C ATOM 1283 C GLY A 75 -1.604 12.458 8.240 1.00 62.51 C ATOM 1284 O GLY A 75 -0.701 13.231 8.563 1.00 14.05 O ATOM 0 H GLY A 75 -4.644 11.659 8.187 1.00 11.32 H new ATOM 0 HA2 GLY A 75 -3.300 13.018 7.060 1.00 25.53 H new ATOM 0 HA3 GLY A 75 -3.078 13.988 8.503 1.00 25.53 H new ATOM 1288 N TYR A 76 -1.390 11.143 8.008 1.00 33.03 N ATOM 1289 CA TYR A 76 -0.028 10.591 7.782 1.00 21.43 C ATOM 1290 C TYR A 76 0.114 10.134 6.320 1.00 4.44 C ATOM 1291 O TYR A 76 -0.875 10.047 5.586 1.00 4.53 O ATOM 1292 CB TYR A 76 0.360 9.466 8.800 1.00 55.12 C ATOM 1293 CG TYR A 76 -0.479 8.174 8.787 1.00 44.52 C ATOM 1294 CD1 TYR A 76 -0.207 7.140 7.880 1.00 21.11 C ATOM 1295 CD2 TYR A 76 -1.499 7.962 9.719 1.00 60.54 C ATOM 1296 CE1 TYR A 76 -0.933 5.970 7.893 1.00 52.21 C ATOM 1297 CE2 TYR A 76 -2.219 6.784 9.734 1.00 71.32 C ATOM 1298 CZ TYR A 76 -1.930 5.792 8.826 1.00 23.24 C ATOM 1299 OH TYR A 76 -2.652 4.618 8.843 1.00 63.15 O ATOM 0 H TYR A 76 -2.134 10.446 7.972 1.00 33.03 H new ATOM 0 HA TYR A 76 0.688 11.392 7.966 1.00 21.43 H new ATOM 0 HB2 TYR A 76 1.400 9.193 8.620 1.00 55.12 H new ATOM 0 HB3 TYR A 76 0.311 9.889 9.803 1.00 55.12 H new ATOM 0 HD1 TYR A 76 0.587 7.263 7.158 1.00 21.11 H new ATOM 0 HD2 TYR A 76 -1.728 8.733 10.440 1.00 60.54 H new ATOM 0 HE1 TYR A 76 -0.721 5.194 7.173 1.00 52.21 H new ATOM 0 HE2 TYR A 76 -3.008 6.642 10.458 1.00 71.32 H new ATOM 0 HH TYR A 76 -3.463 4.741 9.379 1.00 63.15 H new ATOM 1309 N LYS A 77 1.355 9.840 5.914 1.00 72.11 N ATOM 1310 CA LYS A 77 1.716 9.590 4.512 1.00 22.10 C ATOM 1311 C LYS A 77 1.691 8.084 4.207 1.00 74.50 C ATOM 1312 O LYS A 77 2.305 7.280 4.920 1.00 72.25 O ATOM 1313 CB LYS A 77 3.111 10.214 4.210 1.00 11.31 C ATOM 1314 CG LYS A 77 3.680 9.957 2.788 1.00 13.22 C ATOM 1315 CD LYS A 77 2.657 10.238 1.664 1.00 33.31 C ATOM 1316 CE LYS A 77 3.278 10.272 0.268 1.00 55.44 C ATOM 1317 NZ LYS A 77 4.191 11.431 0.106 1.00 13.22 N ATOM 0 H LYS A 77 2.145 9.768 6.555 1.00 72.11 H new ATOM 0 HA LYS A 77 0.982 10.064 3.861 1.00 22.10 H new ATOM 0 HB2 LYS A 77 3.046 11.291 4.364 1.00 11.31 H new ATOM 0 HB3 LYS A 77 3.824 9.830 4.940 1.00 11.31 H new ATOM 0 HG2 LYS A 77 4.559 10.584 2.636 1.00 13.22 H new ATOM 0 HG3 LYS A 77 4.012 8.921 2.718 1.00 13.22 H new ATOM 0 HD2 LYS A 77 1.882 9.472 1.689 1.00 33.31 H new ATOM 0 HD3 LYS A 77 2.168 11.193 1.859 1.00 33.31 H new ATOM 0 HE2 LYS A 77 3.827 9.347 0.091 1.00 55.44 H new ATOM 0 HE3 LYS A 77 2.488 10.322 -0.481 1.00 55.44 H new ATOM 0 HZ1 LYS A 77 4.421 11.553 -0.901 1.00 13.22 H new ATOM 0 HZ2 LYS A 77 3.727 12.291 0.462 1.00 13.22 H new ATOM 0 HZ3 LYS A 77 5.065 11.262 0.643 1.00 13.22 H new ATOM 1331 N VAL A 78 0.957 7.733 3.132 1.00 54.11 N ATOM 1332 CA VAL A 78 0.811 6.363 2.630 1.00 43.12 C ATOM 1333 C VAL A 78 1.246 6.299 1.150 1.00 50.53 C ATOM 1334 O VAL A 78 1.093 7.270 0.395 1.00 14.14 O ATOM 1335 CB VAL A 78 -0.670 5.853 2.782 1.00 41.51 C ATOM 1336 CG1 VAL A 78 -0.825 4.388 2.313 1.00 72.40 C ATOM 1337 CG2 VAL A 78 -1.157 6.008 4.237 1.00 73.33 C ATOM 0 H VAL A 78 0.439 8.416 2.579 1.00 54.11 H new ATOM 0 HA VAL A 78 1.452 5.712 3.225 1.00 43.12 H new ATOM 0 HB VAL A 78 -1.293 6.473 2.137 1.00 41.51 H new ATOM 0 HG11 VAL A 78 -1.862 4.075 2.435 1.00 72.40 H new ATOM 0 HG12 VAL A 78 -0.543 4.310 1.263 1.00 72.40 H new ATOM 0 HG13 VAL A 78 -0.179 3.744 2.910 1.00 72.40 H new ATOM 0 HG21 VAL A 78 -2.183 5.649 4.317 1.00 73.33 H new ATOM 0 HG22 VAL A 78 -0.516 5.426 4.899 1.00 73.33 H new ATOM 0 HG23 VAL A 78 -1.117 7.059 4.524 1.00 73.33 H new ATOM 1347 N PHE A 79 1.800 5.142 0.769 1.00 31.02 N ATOM 1348 CA PHE A 79 2.316 4.856 -0.575 1.00 33.34 C ATOM 1349 C PHE A 79 1.557 3.641 -1.137 1.00 4.22 C ATOM 1350 O PHE A 79 1.562 2.596 -0.515 1.00 44.23 O ATOM 1351 CB PHE A 79 3.820 4.528 -0.468 1.00 33.05 C ATOM 1352 CG PHE A 79 4.646 5.597 0.242 1.00 55.21 C ATOM 1353 CD1 PHE A 79 4.824 5.571 1.630 1.00 54.24 C ATOM 1354 CD2 PHE A 79 5.239 6.629 -0.475 1.00 1.12 C ATOM 1355 CE1 PHE A 79 5.565 6.542 2.266 1.00 61.01 C ATOM 1356 CE2 PHE A 79 5.979 7.596 0.166 1.00 73.32 C ATOM 1357 CZ PHE A 79 6.143 7.555 1.532 1.00 34.40 C ATOM 0 H PHE A 79 1.905 4.354 1.408 1.00 31.02 H new ATOM 0 HA PHE A 79 2.178 5.714 -1.233 1.00 33.34 H new ATOM 0 HB2 PHE A 79 3.937 3.583 0.062 1.00 33.05 H new ATOM 0 HB3 PHE A 79 4.221 4.382 -1.471 1.00 33.05 H new ATOM 0 HD1 PHE A 79 4.374 4.779 2.210 1.00 54.24 H new ATOM 0 HD2 PHE A 79 5.118 6.673 -1.547 1.00 1.12 H new ATOM 0 HE1 PHE A 79 5.693 6.510 3.338 1.00 61.01 H new ATOM 0 HE2 PHE A 79 6.434 8.391 -0.406 1.00 73.32 H new ATOM 0 HZ PHE A 79 6.725 8.317 2.029 1.00 34.40 H new ATOM 1367 N LEU A 80 0.917 3.766 -2.304 1.00 31.54 N ATOM 1368 CA LEU A 80 0.074 2.690 -2.876 1.00 23.43 C ATOM 1369 C LEU A 80 0.660 2.173 -4.197 1.00 40.12 C ATOM 1370 O LEU A 80 1.007 2.956 -5.080 1.00 23.32 O ATOM 1371 CB LEU A 80 -1.378 3.201 -3.078 1.00 10.13 C ATOM 1372 CG LEU A 80 -2.361 2.248 -3.857 1.00 71.31 C ATOM 1373 CD1 LEU A 80 -2.426 0.838 -3.243 1.00 31.01 C ATOM 1374 CD2 LEU A 80 -3.764 2.860 -3.960 1.00 31.24 C ATOM 0 H LEU A 80 0.962 4.606 -2.881 1.00 31.54 H new ATOM 0 HA LEU A 80 0.056 1.856 -2.174 1.00 23.43 H new ATOM 0 HB2 LEU A 80 -1.807 3.404 -2.097 1.00 10.13 H new ATOM 0 HB3 LEU A 80 -1.333 4.152 -3.609 1.00 10.13 H new ATOM 0 HG LEU A 80 -1.956 2.141 -4.863 1.00 71.31 H new ATOM 0 HD11 LEU A 80 -3.118 0.222 -3.818 1.00 31.01 H new ATOM 0 HD12 LEU A 80 -1.434 0.386 -3.264 1.00 31.01 H new ATOM 0 HD13 LEU A 80 -2.772 0.906 -2.212 1.00 31.01 H new ATOM 0 HD21 LEU A 80 -4.419 2.179 -4.503 1.00 31.24 H new ATOM 0 HD22 LEU A 80 -4.163 3.027 -2.959 1.00 31.24 H new ATOM 0 HD23 LEU A 80 -3.708 3.810 -4.491 1.00 31.24 H new ATOM 1386 N LEU A 81 0.753 0.837 -4.312 1.00 62.52 N ATOM 1387 CA LEU A 81 1.161 0.146 -5.541 1.00 74.24 C ATOM 1388 C LEU A 81 -0.018 -0.691 -6.075 1.00 22.04 C ATOM 1389 O LEU A 81 -0.598 -1.513 -5.346 1.00 3.11 O ATOM 1390 CB LEU A 81 2.381 -0.768 -5.281 1.00 4.33 C ATOM 1391 CG LEU A 81 3.024 -1.421 -6.551 1.00 43.10 C ATOM 1392 CD1 LEU A 81 3.488 -0.351 -7.563 1.00 4.34 C ATOM 1393 CD2 LEU A 81 4.174 -2.365 -6.162 1.00 33.11 C ATOM 0 H LEU A 81 0.544 0.201 -3.542 1.00 62.52 H new ATOM 0 HA LEU A 81 1.447 0.892 -6.282 1.00 74.24 H new ATOM 0 HB2 LEU A 81 3.146 -0.185 -4.768 1.00 4.33 H new ATOM 0 HB3 LEU A 81 2.077 -1.563 -4.600 1.00 4.33 H new ATOM 0 HG LEU A 81 2.256 -2.018 -7.043 1.00 43.10 H new ATOM 0 HD11 LEU A 81 3.929 -0.839 -8.432 1.00 4.34 H new ATOM 0 HD12 LEU A 81 2.633 0.247 -7.878 1.00 4.34 H new ATOM 0 HD13 LEU A 81 4.230 0.296 -7.094 1.00 4.34 H new ATOM 0 HD21 LEU A 81 4.603 -2.805 -7.062 1.00 33.11 H new ATOM 0 HD22 LEU A 81 4.942 -1.803 -5.631 1.00 33.11 H new ATOM 0 HD23 LEU A 81 3.793 -3.157 -5.517 1.00 33.11 H new ATOM 1405 N LEU A 82 -0.351 -0.459 -7.348 1.00 0.51 N ATOM 1406 CA LEU A 82 -1.437 -1.137 -8.064 1.00 70.44 C ATOM 1407 C LEU A 82 -0.828 -2.008 -9.174 1.00 51.22 C ATOM 1408 O LEU A 82 -0.099 -1.494 -10.021 1.00 71.04 O ATOM 1409 CB LEU A 82 -2.375 -0.060 -8.669 1.00 65.41 C ATOM 1410 CG LEU A 82 -3.087 0.878 -7.642 1.00 74.32 C ATOM 1411 CD1 LEU A 82 -3.842 2.020 -8.350 1.00 3.34 C ATOM 1412 CD2 LEU A 82 -4.019 0.065 -6.708 1.00 1.03 C ATOM 0 H LEU A 82 0.140 0.224 -7.925 1.00 0.51 H new ATOM 0 HA LEU A 82 -2.011 -1.773 -7.390 1.00 70.44 H new ATOM 0 HB2 LEU A 82 -1.794 0.557 -9.354 1.00 65.41 H new ATOM 0 HB3 LEU A 82 -3.138 -0.563 -9.263 1.00 65.41 H new ATOM 0 HG LEU A 82 -2.320 1.341 -7.022 1.00 74.32 H new ATOM 0 HD11 LEU A 82 -4.325 2.653 -7.606 1.00 3.34 H new ATOM 0 HD12 LEU A 82 -3.138 2.616 -8.931 1.00 3.34 H new ATOM 0 HD13 LEU A 82 -4.597 1.600 -9.014 1.00 3.34 H new ATOM 0 HD21 LEU A 82 -4.504 0.739 -6.002 1.00 1.03 H new ATOM 0 HD22 LEU A 82 -4.777 -0.443 -7.303 1.00 1.03 H new ATOM 0 HD23 LEU A 82 -3.432 -0.673 -6.161 1.00 1.03 H new ATOM 1424 N ALA A 83 -1.121 -3.322 -9.161 1.00 3.14 N ATOM 1425 CA ALA A 83 -0.563 -4.279 -10.146 1.00 21.21 C ATOM 1426 C ALA A 83 -1.631 -5.296 -10.590 1.00 32.23 C ATOM 1427 O ALA A 83 -2.053 -6.145 -9.805 1.00 23.10 O ATOM 1428 CB ALA A 83 0.654 -5.002 -9.551 1.00 13.05 C ATOM 0 H ALA A 83 -1.744 -3.751 -8.477 1.00 3.14 H new ATOM 0 HA ALA A 83 -0.244 -3.720 -11.025 1.00 21.21 H new ATOM 0 HB1 ALA A 83 1.055 -5.702 -10.284 1.00 13.05 H new ATOM 0 HB2 ALA A 83 1.420 -4.271 -9.290 1.00 13.05 H new ATOM 0 HB3 ALA A 83 0.352 -5.546 -8.656 1.00 13.05 H new ATOM 1434 N ASP A 84 -2.048 -5.198 -11.861 1.00 2.33 N ATOM 1435 CA ASP A 84 -3.052 -6.103 -12.457 1.00 43.41 C ATOM 1436 C ASP A 84 -3.026 -5.959 -13.989 1.00 12.21 C ATOM 1437 O ASP A 84 -2.563 -4.941 -14.520 1.00 65.13 O ATOM 1438 CB ASP A 84 -4.474 -5.797 -11.876 1.00 33.13 C ATOM 1439 CG ASP A 84 -5.649 -6.614 -12.463 1.00 51.13 C ATOM 1440 OD1 ASP A 84 -5.479 -7.816 -12.774 1.00 71.23 O ATOM 1441 OD2 ASP A 84 -6.751 -6.056 -12.627 1.00 60.40 O ATOM 0 H ASP A 84 -1.701 -4.490 -12.508 1.00 2.33 H new ATOM 0 HA ASP A 84 -2.810 -7.135 -12.204 1.00 43.41 H new ATOM 0 HB2 ASP A 84 -4.446 -5.965 -10.799 1.00 33.13 H new ATOM 0 HB3 ASP A 84 -4.684 -4.738 -12.029 1.00 33.13 H new ATOM 1446 N GLN A 85 -3.500 -7.012 -14.672 1.00 44.35 N ATOM 1447 CA GLN A 85 -3.660 -7.046 -16.135 1.00 1.13 C ATOM 1448 C GLN A 85 -4.673 -5.974 -16.584 1.00 23.33 C ATOM 1449 O GLN A 85 -4.493 -5.336 -17.625 1.00 44.02 O ATOM 1450 CB GLN A 85 -4.138 -8.458 -16.565 1.00 4.33 C ATOM 1451 CG GLN A 85 -4.324 -8.667 -18.087 1.00 63.24 C ATOM 1452 CD GLN A 85 -4.967 -10.007 -18.462 1.00 0.22 C ATOM 1453 OE1 GLN A 85 -4.661 -10.587 -19.509 1.00 12.33 O ATOM 1454 NE2 GLN A 85 -5.904 -10.483 -17.650 1.00 14.10 N ATOM 0 H GLN A 85 -3.788 -7.878 -14.217 1.00 44.35 H new ATOM 0 HA GLN A 85 -2.703 -6.832 -16.610 1.00 1.13 H new ATOM 0 HB2 GLN A 85 -3.419 -9.192 -16.201 1.00 4.33 H new ATOM 0 HB3 GLN A 85 -5.086 -8.668 -16.069 1.00 4.33 H new ATOM 0 HG2 GLN A 85 -4.939 -7.858 -18.481 1.00 63.24 H new ATOM 0 HG3 GLN A 85 -3.352 -8.594 -18.574 1.00 63.24 H new ATOM 0 HE21 GLN A 85 -6.137 -9.984 -16.792 1.00 14.10 H new ATOM 0 HE22 GLN A 85 -6.391 -11.348 -17.885 1.00 14.10 H new ATOM 1463 N ASP A 86 -5.735 -5.777 -15.776 1.00 34.41 N ATOM 1464 CA ASP A 86 -6.726 -4.705 -15.990 1.00 70.54 C ATOM 1465 C ASP A 86 -6.241 -3.430 -15.261 1.00 74.23 C ATOM 1466 O ASP A 86 -6.871 -2.901 -14.340 1.00 13.43 O ATOM 1467 CB ASP A 86 -8.127 -5.171 -15.509 1.00 50.41 C ATOM 1468 CG ASP A 86 -9.254 -4.194 -15.875 1.00 1.22 C ATOM 1469 OD1 ASP A 86 -9.693 -4.194 -17.045 1.00 23.11 O ATOM 1470 OD2 ASP A 86 -9.704 -3.422 -15.007 1.00 52.15 O ATOM 0 H ASP A 86 -5.929 -6.356 -14.959 1.00 34.41 H new ATOM 0 HA ASP A 86 -6.821 -4.473 -17.051 1.00 70.54 H new ATOM 0 HB2 ASP A 86 -8.346 -6.146 -15.944 1.00 50.41 H new ATOM 0 HB3 ASP A 86 -8.107 -5.302 -14.427 1.00 50.41 H new ATOM 1475 N GLU A 87 -5.065 -2.970 -15.686 1.00 20.45 N ATOM 1476 CA GLU A 87 -4.402 -1.770 -15.150 1.00 65.10 C ATOM 1477 C GLU A 87 -5.121 -0.467 -15.580 1.00 52.15 C ATOM 1478 O GLU A 87 -4.867 0.596 -15.028 1.00 43.12 O ATOM 1479 CB GLU A 87 -2.886 -1.782 -15.550 1.00 1.13 C ATOM 1480 CG GLU A 87 -2.561 -2.155 -17.021 1.00 73.10 C ATOM 1481 CD GLU A 87 -3.135 -1.193 -18.066 1.00 23.32 C ATOM 1482 OE1 GLU A 87 -2.678 -0.036 -18.130 1.00 61.55 O ATOM 1483 OE2 GLU A 87 -4.077 -1.577 -18.795 1.00 4.23 O ATOM 0 H GLU A 87 -4.532 -3.426 -16.426 1.00 20.45 H new ATOM 0 HA GLU A 87 -4.465 -1.792 -14.062 1.00 65.10 H new ATOM 0 HB2 GLU A 87 -2.472 -0.794 -15.349 1.00 1.13 H new ATOM 0 HB3 GLU A 87 -2.366 -2.484 -14.897 1.00 1.13 H new ATOM 0 HG2 GLU A 87 -1.478 -2.196 -17.141 1.00 73.10 H new ATOM 0 HG3 GLU A 87 -2.942 -3.157 -17.221 1.00 73.10 H new ATOM 1490 N ASN A 88 -6.002 -0.576 -16.590 1.00 71.34 N ATOM 1491 CA ASN A 88 -6.799 0.556 -17.107 1.00 13.31 C ATOM 1492 C ASN A 88 -7.686 1.164 -15.993 1.00 31.14 C ATOM 1493 O ASN A 88 -7.773 2.388 -15.850 1.00 3.34 O ATOM 1494 CB ASN A 88 -7.665 0.083 -18.301 1.00 51.32 C ATOM 1495 CG ASN A 88 -8.428 1.225 -18.985 1.00 74.04 C ATOM 1496 OD1 ASN A 88 -9.552 1.553 -18.613 1.00 12.20 O ATOM 1497 ND2 ASN A 88 -7.818 1.845 -19.986 1.00 54.53 N ATOM 0 H ASN A 88 -6.184 -1.455 -17.074 1.00 71.34 H new ATOM 0 HA ASN A 88 -6.118 1.335 -17.450 1.00 13.31 H new ATOM 0 HB2 ASN A 88 -7.025 -0.407 -19.034 1.00 51.32 H new ATOM 0 HB3 ASN A 88 -8.378 -0.663 -17.951 1.00 51.32 H new ATOM 0 HD21 ASN A 88 -8.282 2.615 -20.468 1.00 54.53 H new ATOM 0 HD22 ASN A 88 -6.884 1.552 -20.274 1.00 54.53 H new ATOM 1504 N GLU A 89 -8.323 0.282 -15.201 1.00 55.12 N ATOM 1505 CA GLU A 89 -9.170 0.685 -14.061 1.00 54.43 C ATOM 1506 C GLU A 89 -8.309 1.188 -12.877 1.00 61.14 C ATOM 1507 O GLU A 89 -8.751 2.034 -12.097 1.00 14.14 O ATOM 1508 CB GLU A 89 -10.072 -0.492 -13.635 1.00 34.13 C ATOM 1509 CG GLU A 89 -11.087 -0.155 -12.527 1.00 73.11 C ATOM 1510 CD GLU A 89 -12.003 -1.335 -12.197 1.00 14.00 C ATOM 1511 OE1 GLU A 89 -11.615 -2.191 -11.385 1.00 2.04 O ATOM 1512 OE2 GLU A 89 -13.114 -1.421 -12.771 1.00 62.10 O ATOM 0 H GLU A 89 -8.266 -0.728 -15.332 1.00 55.12 H new ATOM 0 HA GLU A 89 -9.805 1.513 -14.374 1.00 54.43 H new ATOM 0 HB2 GLU A 89 -10.615 -0.851 -14.509 1.00 34.13 H new ATOM 0 HB3 GLU A 89 -9.440 -1.312 -13.293 1.00 34.13 H new ATOM 0 HG2 GLU A 89 -10.551 0.148 -11.627 1.00 73.11 H new ATOM 0 HG3 GLU A 89 -11.693 0.696 -12.839 1.00 73.11 H new ATOM 1519 N LEU A 90 -7.072 0.655 -12.769 1.00 52.13 N ATOM 1520 CA LEU A 90 -6.071 1.115 -11.779 1.00 23.13 C ATOM 1521 C LEU A 90 -5.537 2.516 -12.148 1.00 4.25 C ATOM 1522 O LEU A 90 -5.066 3.255 -11.282 1.00 65.22 O ATOM 1523 CB LEU A 90 -4.894 0.111 -11.693 1.00 12.11 C ATOM 1524 CG LEU A 90 -5.254 -1.337 -11.249 1.00 53.00 C ATOM 1525 CD1 LEU A 90 -4.011 -2.244 -11.298 1.00 14.22 C ATOM 1526 CD2 LEU A 90 -5.902 -1.347 -9.845 1.00 31.02 C ATOM 0 H LEU A 90 -6.739 -0.104 -13.364 1.00 52.13 H new ATOM 0 HA LEU A 90 -6.561 1.173 -10.807 1.00 23.13 H new ATOM 0 HB2 LEU A 90 -4.416 0.060 -12.671 1.00 12.11 H new ATOM 0 HB3 LEU A 90 -4.155 0.509 -10.997 1.00 12.11 H new ATOM 0 HG LEU A 90 -5.989 -1.734 -11.950 1.00 53.00 H new ATOM 0 HD11 LEU A 90 -4.283 -3.252 -10.984 1.00 14.22 H new ATOM 0 HD12 LEU A 90 -3.622 -2.274 -12.316 1.00 14.22 H new ATOM 0 HD13 LEU A 90 -3.246 -1.850 -10.629 1.00 14.22 H new ATOM 0 HD21 LEU A 90 -6.142 -2.372 -9.562 1.00 31.02 H new ATOM 0 HD22 LEU A 90 -5.206 -0.924 -9.120 1.00 31.02 H new ATOM 0 HD23 LEU A 90 -6.815 -0.752 -9.861 1.00 31.02 H new ATOM 1538 N GLU A 91 -5.605 2.850 -13.458 1.00 71.35 N ATOM 1539 CA GLU A 91 -5.207 4.168 -13.985 1.00 70.21 C ATOM 1540 C GLU A 91 -6.243 5.234 -13.573 1.00 70.03 C ATOM 1541 O GLU A 91 -5.920 6.412 -13.476 1.00 73.45 O ATOM 1542 CB GLU A 91 -5.046 4.104 -15.531 1.00 75.43 C ATOM 1543 CG GLU A 91 -4.506 5.400 -16.192 1.00 54.33 C ATOM 1544 CD GLU A 91 -3.107 5.811 -15.692 1.00 21.15 C ATOM 1545 OE1 GLU A 91 -2.166 5.007 -15.812 1.00 73.34 O ATOM 1546 OE2 GLU A 91 -2.945 6.925 -15.155 1.00 54.00 O ATOM 0 H GLU A 91 -5.939 2.209 -14.177 1.00 71.35 H new ATOM 0 HA GLU A 91 -4.243 4.449 -13.560 1.00 70.21 H new ATOM 0 HB2 GLU A 91 -4.373 3.282 -15.777 1.00 75.43 H new ATOM 0 HB3 GLU A 91 -6.014 3.866 -15.972 1.00 75.43 H new ATOM 0 HG2 GLU A 91 -4.470 5.259 -17.272 1.00 54.33 H new ATOM 0 HG3 GLU A 91 -5.205 6.214 -16.000 1.00 54.33 H new ATOM 1553 N GLU A 92 -7.489 4.793 -13.337 1.00 14.02 N ATOM 1554 CA GLU A 92 -8.544 5.632 -12.760 1.00 64.21 C ATOM 1555 C GLU A 92 -8.412 5.685 -11.234 1.00 63.43 C ATOM 1556 O GLU A 92 -8.430 6.768 -10.651 1.00 75.34 O ATOM 1557 CB GLU A 92 -9.931 5.081 -13.175 1.00 44.02 C ATOM 1558 CG GLU A 92 -10.258 5.266 -14.668 1.00 64.53 C ATOM 1559 CD GLU A 92 -10.356 6.753 -15.061 1.00 24.40 C ATOM 1560 OE1 GLU A 92 -11.391 7.386 -14.742 1.00 22.31 O ATOM 1561 OE2 GLU A 92 -9.393 7.313 -15.633 1.00 52.41 O ATOM 0 H GLU A 92 -7.791 3.841 -13.543 1.00 14.02 H new ATOM 0 HA GLU A 92 -8.442 6.648 -13.140 1.00 64.21 H new ATOM 0 HB2 GLU A 92 -9.976 4.019 -12.933 1.00 44.02 H new ATOM 0 HB3 GLU A 92 -10.700 5.576 -12.581 1.00 44.02 H new ATOM 0 HG2 GLU A 92 -9.488 4.783 -15.270 1.00 64.53 H new ATOM 0 HG3 GLU A 92 -11.200 4.768 -14.896 1.00 64.53 H new ATOM 1568 N PHE A 93 -8.240 4.492 -10.621 1.00 54.35 N ATOM 1569 CA PHE A 93 -8.229 4.301 -9.155 1.00 24.21 C ATOM 1570 C PHE A 93 -7.143 5.163 -8.484 1.00 35.43 C ATOM 1571 O PHE A 93 -7.406 5.802 -7.459 1.00 5.23 O ATOM 1572 CB PHE A 93 -8.024 2.793 -8.820 1.00 61.22 C ATOM 1573 CG PHE A 93 -8.152 2.441 -7.333 1.00 65.10 C ATOM 1574 CD1 PHE A 93 -9.408 2.316 -6.737 1.00 4.02 C ATOM 1575 CD2 PHE A 93 -7.025 2.233 -6.533 1.00 42.30 C ATOM 1576 CE1 PHE A 93 -9.525 1.999 -5.396 1.00 41.52 C ATOM 1577 CE2 PHE A 93 -7.149 1.919 -5.197 1.00 24.54 C ATOM 1578 CZ PHE A 93 -8.394 1.801 -4.631 1.00 2.34 C ATOM 0 H PHE A 93 -8.103 3.624 -11.139 1.00 54.35 H new ATOM 0 HA PHE A 93 -9.192 4.625 -8.759 1.00 24.21 H new ATOM 0 HB2 PHE A 93 -8.753 2.208 -9.381 1.00 61.22 H new ATOM 0 HB3 PHE A 93 -7.036 2.489 -9.167 1.00 61.22 H new ATOM 0 HD1 PHE A 93 -10.298 2.468 -7.329 1.00 4.02 H new ATOM 0 HD2 PHE A 93 -6.041 2.320 -6.969 1.00 42.30 H new ATOM 0 HE1 PHE A 93 -10.503 1.906 -4.947 1.00 41.52 H new ATOM 0 HE2 PHE A 93 -6.266 1.766 -4.595 1.00 24.54 H new ATOM 0 HZ PHE A 93 -8.488 1.553 -3.584 1.00 2.34 H new ATOM 1588 N LYS A 94 -5.943 5.201 -9.110 1.00 23.13 N ATOM 1589 CA LYS A 94 -4.791 5.981 -8.625 1.00 24.31 C ATOM 1590 C LYS A 94 -5.129 7.486 -8.483 1.00 64.43 C ATOM 1591 O LYS A 94 -4.610 8.159 -7.597 1.00 22.54 O ATOM 1592 CB LYS A 94 -3.577 5.838 -9.594 1.00 62.23 C ATOM 1593 CG LYS A 94 -3.807 6.461 -10.993 1.00 51.31 C ATOM 1594 CD LYS A 94 -2.530 6.618 -11.833 1.00 23.30 C ATOM 1595 CE LYS A 94 -1.868 5.285 -12.193 1.00 20.11 C ATOM 1596 NZ LYS A 94 -0.770 5.476 -13.175 1.00 43.40 N ATOM 0 H LYS A 94 -5.751 4.687 -9.970 1.00 23.13 H new ATOM 0 HA LYS A 94 -4.537 5.580 -7.644 1.00 24.31 H new ATOM 0 HB2 LYS A 94 -2.705 6.307 -9.138 1.00 62.23 H new ATOM 0 HB3 LYS A 94 -3.344 4.780 -9.713 1.00 62.23 H new ATOM 0 HG2 LYS A 94 -4.515 5.840 -11.542 1.00 51.31 H new ATOM 0 HG3 LYS A 94 -4.270 7.440 -10.870 1.00 51.31 H new ATOM 0 HD2 LYS A 94 -2.772 7.154 -12.751 1.00 23.30 H new ATOM 0 HD3 LYS A 94 -1.817 7.232 -11.284 1.00 23.30 H new ATOM 0 HE2 LYS A 94 -1.475 4.816 -11.291 1.00 20.11 H new ATOM 0 HE3 LYS A 94 -2.614 4.606 -12.606 1.00 20.11 H new ATOM 0 HZ1 LYS A 94 0.015 4.833 -12.948 1.00 43.40 H new ATOM 0 HZ2 LYS A 94 -1.121 5.270 -14.132 1.00 43.40 H new ATOM 0 HZ3 LYS A 94 -0.435 6.460 -13.134 1.00 43.40 H new ATOM 1610 N ARG A 95 -6.008 7.989 -9.378 1.00 24.43 N ATOM 1611 CA ARG A 95 -6.318 9.423 -9.494 1.00 73.03 C ATOM 1612 C ARG A 95 -7.213 9.890 -8.332 1.00 23.02 C ATOM 1613 O ARG A 95 -7.243 11.080 -8.006 1.00 75.43 O ATOM 1614 CB ARG A 95 -6.968 9.719 -10.876 1.00 52.11 C ATOM 1615 CG ARG A 95 -6.117 9.224 -12.069 1.00 13.04 C ATOM 1616 CD ARG A 95 -6.619 9.703 -13.442 1.00 74.12 C ATOM 1617 NE ARG A 95 -8.058 9.434 -13.673 1.00 33.45 N ATOM 1618 CZ ARG A 95 -8.966 10.365 -14.038 1.00 32.52 C ATOM 1619 NH1 ARG A 95 -8.603 11.630 -14.219 1.00 51.22 N ATOM 1620 NH2 ARG A 95 -10.224 10.016 -14.232 1.00 75.22 N ATOM 0 H ARG A 95 -6.521 7.407 -10.040 1.00 24.43 H new ATOM 0 HA ARG A 95 -5.389 9.989 -9.430 1.00 73.03 H new ATOM 0 HB2 ARG A 95 -7.949 9.246 -10.917 1.00 52.11 H new ATOM 0 HB3 ARG A 95 -7.127 10.793 -10.973 1.00 52.11 H new ATOM 0 HG2 ARG A 95 -5.089 9.561 -11.932 1.00 13.04 H new ATOM 0 HG3 ARG A 95 -6.099 8.134 -12.061 1.00 13.04 H new ATOM 0 HD2 ARG A 95 -6.439 10.774 -13.532 1.00 74.12 H new ATOM 0 HD3 ARG A 95 -6.036 9.215 -14.223 1.00 74.12 H new ATOM 0 HE ARG A 95 -8.386 8.477 -13.547 1.00 33.45 H new ATOM 0 HH11 ARG A 95 -7.631 11.906 -14.082 1.00 51.22 H new ATOM 0 HH12 ARG A 95 -9.297 12.325 -14.495 1.00 51.22 H new ATOM 0 HH21 ARG A 95 -10.509 9.045 -14.106 1.00 75.22 H new ATOM 0 HH22 ARG A 95 -10.911 10.718 -14.508 1.00 75.22 H new ATOM 1634 N LYS A 96 -7.933 8.927 -7.721 1.00 25.13 N ATOM 1635 CA LYS A 96 -8.750 9.152 -6.514 1.00 70.15 C ATOM 1636 C LYS A 96 -7.832 9.202 -5.284 1.00 70.32 C ATOM 1637 O LYS A 96 -8.053 9.987 -4.363 1.00 21.35 O ATOM 1638 CB LYS A 96 -9.830 8.032 -6.331 1.00 52.43 C ATOM 1639 CG LYS A 96 -11.019 8.080 -7.328 1.00 23.32 C ATOM 1640 CD LYS A 96 -10.617 7.799 -8.796 1.00 23.33 C ATOM 1641 CE LYS A 96 -11.794 7.858 -9.784 1.00 51.30 C ATOM 1642 NZ LYS A 96 -12.823 6.832 -9.488 1.00 61.35 N ATOM 0 H LYS A 96 -7.963 7.964 -8.055 1.00 25.13 H new ATOM 0 HA LYS A 96 -9.275 10.100 -6.627 1.00 70.15 H new ATOM 0 HB2 LYS A 96 -9.341 7.062 -6.422 1.00 52.43 H new ATOM 0 HB3 LYS A 96 -10.226 8.096 -5.317 1.00 52.43 H new ATOM 0 HG2 LYS A 96 -11.768 7.350 -7.021 1.00 23.32 H new ATOM 0 HG3 LYS A 96 -11.489 9.062 -7.272 1.00 23.32 H new ATOM 0 HD2 LYS A 96 -9.862 8.523 -9.101 1.00 23.33 H new ATOM 0 HD3 LYS A 96 -10.155 6.813 -8.854 1.00 23.33 H new ATOM 0 HE2 LYS A 96 -12.249 8.848 -9.747 1.00 51.30 H new ATOM 0 HE3 LYS A 96 -11.422 7.716 -10.799 1.00 51.30 H new ATOM 0 HZ1 LYS A 96 -13.555 6.851 -10.226 1.00 61.35 H new ATOM 0 HZ2 LYS A 96 -12.379 5.892 -9.465 1.00 61.35 H new ATOM 0 HZ3 LYS A 96 -13.257 7.032 -8.565 1.00 61.35 H new ATOM 1656 N ILE A 97 -6.779 8.367 -5.313 1.00 52.11 N ATOM 1657 CA ILE A 97 -5.820 8.204 -4.198 1.00 33.33 C ATOM 1658 C ILE A 97 -4.872 9.419 -4.113 1.00 21.11 C ATOM 1659 O ILE A 97 -4.514 9.884 -3.021 1.00 32.20 O ATOM 1660 CB ILE A 97 -4.996 6.873 -4.380 1.00 4.31 C ATOM 1661 CG1 ILE A 97 -5.966 5.656 -4.580 1.00 11.03 C ATOM 1662 CG2 ILE A 97 -4.005 6.637 -3.209 1.00 70.33 C ATOM 1663 CD1 ILE A 97 -7.007 5.441 -3.489 1.00 53.40 C ATOM 0 H ILE A 97 -6.564 7.779 -6.118 1.00 52.11 H new ATOM 0 HA ILE A 97 -6.380 8.143 -3.265 1.00 33.33 H new ATOM 0 HB ILE A 97 -4.388 6.974 -5.279 1.00 4.31 H new ATOM 0 HG12 ILE A 97 -6.486 5.784 -5.529 1.00 11.03 H new ATOM 0 HG13 ILE A 97 -5.366 4.750 -4.665 1.00 11.03 H new ATOM 0 HG21 ILE A 97 -3.459 5.709 -3.376 1.00 70.33 H new ATOM 0 HG22 ILE A 97 -3.301 7.468 -3.155 1.00 70.33 H new ATOM 0 HG23 ILE A 97 -4.558 6.569 -2.272 1.00 70.33 H new ATOM 0 HD11 ILE A 97 -7.619 4.573 -3.736 1.00 53.40 H new ATOM 0 HD12 ILE A 97 -6.506 5.273 -2.536 1.00 53.40 H new ATOM 0 HD13 ILE A 97 -7.643 6.323 -3.414 1.00 53.40 H new ATOM 1675 N GLU A 98 -4.508 9.927 -5.297 1.00 53.45 N ATOM 1676 CA GLU A 98 -3.672 11.123 -5.463 1.00 12.43 C ATOM 1677 C GLU A 98 -4.490 12.366 -5.033 1.00 53.41 C ATOM 1678 O GLU A 98 -3.940 13.324 -4.477 1.00 23.24 O ATOM 1679 CB GLU A 98 -3.193 11.183 -6.952 1.00 12.33 C ATOM 1680 CG GLU A 98 -2.009 12.138 -7.267 1.00 2.20 C ATOM 1681 CD GLU A 98 -2.389 13.633 -7.312 1.00 25.41 C ATOM 1682 OE1 GLU A 98 -3.122 14.033 -8.240 1.00 32.00 O ATOM 1683 OE2 GLU A 98 -1.966 14.412 -6.427 1.00 61.11 O ATOM 0 H GLU A 98 -4.792 9.510 -6.184 1.00 53.45 H new ATOM 0 HA GLU A 98 -2.783 11.093 -4.833 1.00 12.43 H new ATOM 0 HB2 GLU A 98 -2.909 10.176 -7.259 1.00 12.33 H new ATOM 0 HB3 GLU A 98 -4.041 11.477 -7.570 1.00 12.33 H new ATOM 0 HG2 GLU A 98 -1.233 11.996 -6.515 1.00 2.20 H new ATOM 0 HG3 GLU A 98 -1.577 11.857 -8.227 1.00 2.20 H new ATOM 1690 N SER A 99 -5.824 12.295 -5.252 1.00 12.02 N ATOM 1691 CA SER A 99 -6.776 13.346 -4.848 1.00 31.05 C ATOM 1692 C SER A 99 -6.886 13.406 -3.310 1.00 51.10 C ATOM 1693 O SER A 99 -7.008 14.494 -2.729 1.00 51.35 O ATOM 1694 CB SER A 99 -8.157 13.073 -5.485 1.00 45.31 C ATOM 1695 OG SER A 99 -9.058 14.148 -5.277 1.00 1.21 O ATOM 0 H SER A 99 -6.268 11.502 -5.716 1.00 12.02 H new ATOM 0 HA SER A 99 -6.413 14.312 -5.200 1.00 31.05 H new ATOM 0 HB2 SER A 99 -8.036 12.903 -6.555 1.00 45.31 H new ATOM 0 HB3 SER A 99 -8.577 12.160 -5.063 1.00 45.31 H new ATOM 0 HG SER A 99 -9.919 13.939 -5.695 1.00 1.21 H new ATOM 1701 N GLN A 100 -6.830 12.218 -2.665 1.00 22.12 N ATOM 1702 CA GLN A 100 -6.798 12.093 -1.193 1.00 34.13 C ATOM 1703 C GLN A 100 -5.465 12.647 -0.629 1.00 21.52 C ATOM 1704 O GLN A 100 -5.396 13.047 0.536 1.00 42.24 O ATOM 1705 CB GLN A 100 -6.972 10.609 -0.778 1.00 54.24 C ATOM 1706 CG GLN A 100 -8.323 9.957 -1.157 1.00 24.00 C ATOM 1707 CD GLN A 100 -8.311 8.431 -0.991 1.00 64.04 C ATOM 1708 OE1 GLN A 100 -7.277 7.788 -1.162 1.00 55.33 O ATOM 1709 NE2 GLN A 100 -9.448 7.842 -0.669 1.00 44.33 N ATOM 0 H GLN A 100 -6.806 11.322 -3.151 1.00 22.12 H new ATOM 0 HA GLN A 100 -7.621 12.676 -0.780 1.00 34.13 H new ATOM 0 HB2 GLN A 100 -6.170 10.028 -1.233 1.00 54.24 H new ATOM 0 HB3 GLN A 100 -6.846 10.536 0.302 1.00 54.24 H new ATOM 0 HG2 GLN A 100 -9.113 10.380 -0.536 1.00 24.00 H new ATOM 0 HG3 GLN A 100 -8.564 10.204 -2.191 1.00 24.00 H new ATOM 0 HE21 GLN A 100 -10.291 8.400 -0.533 1.00 44.33 H new ATOM 0 HE22 GLN A 100 -9.483 6.829 -0.556 1.00 44.33 H new ATOM 1718 N GLY A 101 -4.412 12.644 -1.474 1.00 0.43 N ATOM 1719 CA GLY A 101 -3.123 13.262 -1.143 1.00 42.11 C ATOM 1720 C GLY A 101 -2.041 12.245 -0.806 1.00 3.10 C ATOM 1721 O GLY A 101 -1.190 12.501 0.058 1.00 21.41 O ATOM 0 H GLY A 101 -4.437 12.214 -2.399 1.00 0.43 H new ATOM 0 HA2 GLY A 101 -2.792 13.870 -1.985 1.00 42.11 H new ATOM 0 HA3 GLY A 101 -3.257 13.935 -0.296 1.00 42.11 H new ATOM 1725 N TYR A 102 -2.058 11.087 -1.492 1.00 65.15 N ATOM 1726 CA TYR A 102 -1.083 9.995 -1.257 1.00 13.51 C ATOM 1727 C TYR A 102 -0.307 9.686 -2.536 1.00 53.52 C ATOM 1728 O TYR A 102 -0.836 9.836 -3.646 1.00 1.05 O ATOM 1729 CB TYR A 102 -1.809 8.726 -0.743 1.00 44.25 C ATOM 1730 CG TYR A 102 -2.609 8.988 0.533 1.00 74.31 C ATOM 1731 CD1 TYR A 102 -1.963 9.231 1.747 1.00 71.23 C ATOM 1732 CD2 TYR A 102 -4.004 9.027 0.518 1.00 13.34 C ATOM 1733 CE1 TYR A 102 -2.682 9.506 2.889 1.00 5.53 C ATOM 1734 CE2 TYR A 102 -4.720 9.311 1.658 1.00 3.15 C ATOM 1735 CZ TYR A 102 -4.056 9.537 2.835 1.00 1.41 C ATOM 1736 OH TYR A 102 -4.770 9.829 3.960 1.00 50.30 O ATOM 0 H TYR A 102 -2.741 10.879 -2.220 1.00 65.15 H new ATOM 0 HA TYR A 102 -0.374 10.321 -0.496 1.00 13.51 H new ATOM 0 HB2 TYR A 102 -2.479 8.355 -1.519 1.00 44.25 H new ATOM 0 HB3 TYR A 102 -1.075 7.943 -0.554 1.00 44.25 H new ATOM 0 HD1 TYR A 102 -0.884 9.203 1.791 1.00 71.23 H new ATOM 0 HD2 TYR A 102 -4.531 8.831 -0.404 1.00 13.34 H new ATOM 0 HE1 TYR A 102 -2.170 9.696 3.821 1.00 5.53 H new ATOM 0 HE2 TYR A 102 -5.799 9.356 1.625 1.00 3.15 H new ATOM 0 HH TYR A 102 -4.245 10.424 4.535 1.00 50.30 H new ATOM 1746 N GLU A 103 0.963 9.267 -2.365 1.00 32.12 N ATOM 1747 CA GLU A 103 1.819 8.835 -3.474 1.00 64.12 C ATOM 1748 C GLU A 103 1.352 7.454 -3.936 1.00 44.42 C ATOM 1749 O GLU A 103 1.266 6.532 -3.129 1.00 12.25 O ATOM 1750 CB GLU A 103 3.315 8.814 -3.057 1.00 10.30 C ATOM 1751 CG GLU A 103 4.280 8.313 -4.158 1.00 30.13 C ATOM 1752 CD GLU A 103 5.754 8.679 -3.906 1.00 21.14 C ATOM 1753 OE1 GLU A 103 6.172 9.795 -4.294 1.00 2.33 O ATOM 1754 OE2 GLU A 103 6.508 7.868 -3.328 1.00 14.33 O ATOM 0 H GLU A 103 1.418 9.221 -1.453 1.00 32.12 H new ATOM 0 HA GLU A 103 1.735 9.544 -4.298 1.00 64.12 H new ATOM 0 HB2 GLU A 103 3.611 9.821 -2.762 1.00 10.30 H new ATOM 0 HB3 GLU A 103 3.425 8.179 -2.178 1.00 10.30 H new ATOM 0 HG2 GLU A 103 4.193 7.229 -4.239 1.00 30.13 H new ATOM 0 HG3 GLU A 103 3.971 8.730 -5.116 1.00 30.13 H new ATOM 1761 N VAL A 104 1.021 7.349 -5.225 1.00 62.00 N ATOM 1762 CA VAL A 104 0.461 6.132 -5.821 1.00 4.12 C ATOM 1763 C VAL A 104 1.107 5.879 -7.195 1.00 23.14 C ATOM 1764 O VAL A 104 1.418 6.821 -7.933 1.00 23.24 O ATOM 1765 CB VAL A 104 -1.105 6.245 -5.952 1.00 10.32 C ATOM 1766 CG1 VAL A 104 -1.534 7.506 -6.748 1.00 63.25 C ATOM 1767 CG2 VAL A 104 -1.725 4.949 -6.537 1.00 65.34 C ATOM 0 H VAL A 104 1.135 8.113 -5.891 1.00 62.00 H new ATOM 0 HA VAL A 104 0.681 5.287 -5.169 1.00 4.12 H new ATOM 0 HB VAL A 104 -1.502 6.363 -4.944 1.00 10.32 H new ATOM 0 HG11 VAL A 104 -2.621 7.543 -6.813 1.00 63.25 H new ATOM 0 HG12 VAL A 104 -1.171 8.399 -6.239 1.00 63.25 H new ATOM 0 HG13 VAL A 104 -1.112 7.464 -7.752 1.00 63.25 H new ATOM 0 HG21 VAL A 104 -2.806 5.065 -6.612 1.00 65.34 H new ATOM 0 HG22 VAL A 104 -1.310 4.762 -7.527 1.00 65.34 H new ATOM 0 HG23 VAL A 104 -1.495 4.108 -5.883 1.00 65.34 H new ATOM 1777 N ARG A 105 1.321 4.597 -7.513 1.00 53.44 N ATOM 1778 CA ARG A 105 1.881 4.145 -8.796 1.00 31.15 C ATOM 1779 C ARG A 105 1.124 2.908 -9.284 1.00 35.02 C ATOM 1780 O ARG A 105 0.487 2.184 -8.505 1.00 51.14 O ATOM 1781 CB ARG A 105 3.400 3.826 -8.669 1.00 53.50 C ATOM 1782 CG ARG A 105 4.353 5.035 -8.807 1.00 75.32 C ATOM 1783 CD ARG A 105 4.293 5.662 -10.213 1.00 74.40 C ATOM 1784 NE ARG A 105 4.361 4.642 -11.293 1.00 73.15 N ATOM 1785 CZ ARG A 105 5.397 4.426 -12.121 1.00 73.32 C ATOM 1786 NH1 ARG A 105 6.516 5.138 -12.027 1.00 35.21 N ATOM 1787 NH2 ARG A 105 5.303 3.487 -13.047 1.00 43.32 N ATOM 0 H ARG A 105 1.107 3.830 -6.876 1.00 53.44 H new ATOM 0 HA ARG A 105 1.767 4.951 -9.521 1.00 31.15 H new ATOM 0 HB2 ARG A 105 3.574 3.358 -7.700 1.00 53.50 H new ATOM 0 HB3 ARG A 105 3.663 3.091 -9.430 1.00 53.50 H new ATOM 0 HG2 ARG A 105 4.093 5.788 -8.063 1.00 75.32 H new ATOM 0 HG3 ARG A 105 5.374 4.717 -8.595 1.00 75.32 H new ATOM 0 HD2 ARG A 105 3.370 6.233 -10.314 1.00 74.40 H new ATOM 0 HD3 ARG A 105 5.117 6.366 -10.329 1.00 74.40 H new ATOM 0 HE ARG A 105 3.541 4.048 -11.417 1.00 73.15 H new ATOM 0 HH11 ARG A 105 6.600 5.865 -11.316 1.00 35.21 H new ATOM 0 HH12 ARG A 105 7.290 4.958 -12.666 1.00 35.21 H new ATOM 0 HH21 ARG A 105 4.450 2.934 -13.128 1.00 43.32 H new ATOM 0 HH22 ARG A 105 6.084 3.315 -13.680 1.00 43.32 H new ATOM 1801 N LYS A 106 1.220 2.695 -10.595 1.00 75.20 N ATOM 1802 CA LYS A 106 0.626 1.553 -11.294 1.00 55.34 C ATOM 1803 C LYS A 106 1.727 0.834 -12.087 1.00 53.12 C ATOM 1804 O LYS A 106 2.612 1.485 -12.663 1.00 64.03 O ATOM 1805 CB LYS A 106 -0.463 2.054 -12.260 1.00 10.10 C ATOM 1806 CG LYS A 106 -1.266 0.955 -12.979 1.00 73.23 C ATOM 1807 CD LYS A 106 -2.066 1.504 -14.178 1.00 25.41 C ATOM 1808 CE LYS A 106 -1.180 1.858 -15.388 1.00 15.35 C ATOM 1809 NZ LYS A 106 -1.981 2.273 -16.571 1.00 64.41 N ATOM 0 H LYS A 106 1.725 3.326 -11.217 1.00 75.20 H new ATOM 0 HA LYS A 106 0.178 0.866 -10.575 1.00 55.34 H new ATOM 0 HB2 LYS A 106 -1.158 2.682 -11.703 1.00 10.10 H new ATOM 0 HB3 LYS A 106 0.006 2.688 -13.012 1.00 10.10 H new ATOM 0 HG2 LYS A 106 -0.585 0.178 -13.325 1.00 73.23 H new ATOM 0 HG3 LYS A 106 -1.951 0.487 -12.272 1.00 73.23 H new ATOM 0 HD2 LYS A 106 -2.806 0.764 -14.482 1.00 25.41 H new ATOM 0 HD3 LYS A 106 -2.614 2.393 -13.865 1.00 25.41 H new ATOM 0 HE2 LYS A 106 -0.498 2.663 -15.113 1.00 15.35 H new ATOM 0 HE3 LYS A 106 -0.567 0.996 -15.651 1.00 15.35 H new ATOM 0 HZ1 LYS A 106 -1.385 2.239 -17.423 1.00 64.41 H new ATOM 0 HZ2 LYS A 106 -2.788 1.628 -16.687 1.00 64.41 H new ATOM 0 HZ3 LYS A 106 -2.330 3.243 -16.431 1.00 64.41 H new ATOM 1823 N VAL A 107 1.653 -0.502 -12.109 1.00 64.13 N ATOM 1824 CA VAL A 107 2.626 -1.389 -12.773 1.00 21.40 C ATOM 1825 C VAL A 107 1.890 -2.603 -13.371 1.00 1.25 C ATOM 1826 O VAL A 107 0.696 -2.832 -13.101 1.00 74.42 O ATOM 1827 CB VAL A 107 3.747 -1.890 -11.775 1.00 60.11 C ATOM 1828 CG1 VAL A 107 4.657 -0.733 -11.307 1.00 34.13 C ATOM 1829 CG2 VAL A 107 3.123 -2.616 -10.569 1.00 54.33 C ATOM 0 H VAL A 107 0.896 -1.013 -11.655 1.00 64.13 H new ATOM 0 HA VAL A 107 3.114 -0.816 -13.561 1.00 21.40 H new ATOM 0 HB VAL A 107 4.372 -2.598 -12.318 1.00 60.11 H new ATOM 0 HG11 VAL A 107 5.413 -1.119 -10.623 1.00 34.13 H new ATOM 0 HG12 VAL A 107 5.145 -0.282 -12.171 1.00 34.13 H new ATOM 0 HG13 VAL A 107 4.056 0.019 -10.796 1.00 34.13 H new ATOM 0 HG21 VAL A 107 3.913 -2.951 -9.897 1.00 54.33 H new ATOM 0 HG22 VAL A 107 2.460 -1.934 -10.037 1.00 54.33 H new ATOM 0 HG23 VAL A 107 2.554 -3.478 -10.918 1.00 54.33 H new ATOM 1839 N THR A 108 2.626 -3.376 -14.182 1.00 52.35 N ATOM 1840 CA THR A 108 2.127 -4.593 -14.850 1.00 62.22 C ATOM 1841 C THR A 108 3.091 -5.767 -14.594 1.00 31.52 C ATOM 1842 O THR A 108 2.660 -6.915 -14.432 1.00 73.14 O ATOM 1843 CB THR A 108 1.970 -4.356 -16.391 1.00 62.02 C ATOM 1844 OG1 THR A 108 3.235 -3.959 -16.955 1.00 25.41 O ATOM 1845 CG2 THR A 108 0.914 -3.278 -16.701 1.00 33.11 C ATOM 0 H THR A 108 3.602 -3.172 -14.398 1.00 52.35 H new ATOM 0 HA THR A 108 1.148 -4.836 -14.437 1.00 62.22 H new ATOM 0 HB THR A 108 1.637 -5.294 -16.836 1.00 62.02 H new ATOM 0 HG1 THR A 108 3.848 -4.724 -16.955 1.00 25.41 H new ATOM 0 HG21 THR A 108 0.836 -3.144 -17.780 1.00 33.11 H new ATOM 0 HG22 THR A 108 -0.052 -3.590 -16.303 1.00 33.11 H new ATOM 0 HG23 THR A 108 1.209 -2.336 -16.239 1.00 33.11 H new ATOM 1853 N ASP A 109 4.405 -5.468 -14.550 1.00 74.32 N ATOM 1854 CA ASP A 109 5.461 -6.487 -14.373 1.00 12.44 C ATOM 1855 C ASP A 109 5.863 -6.604 -12.904 1.00 44.15 C ATOM 1856 O ASP A 109 5.692 -5.656 -12.122 1.00 70.43 O ATOM 1857 CB ASP A 109 6.689 -6.154 -15.254 1.00 62.02 C ATOM 1858 CG ASP A 109 6.357 -6.226 -16.753 1.00 53.21 C ATOM 1859 OD1 ASP A 109 6.429 -7.328 -17.338 1.00 42.11 O ATOM 1860 OD2 ASP A 109 5.976 -5.193 -17.346 1.00 34.24 O ATOM 0 H ASP A 109 4.764 -4.517 -14.636 1.00 74.32 H new ATOM 0 HA ASP A 109 5.063 -7.451 -14.690 1.00 12.44 H new ATOM 0 HB2 ASP A 109 7.050 -5.155 -15.010 1.00 62.02 H new ATOM 0 HB3 ASP A 109 7.497 -6.849 -15.028 1.00 62.02 H new ATOM 1865 N ASP A 110 6.400 -7.783 -12.559 1.00 30.11 N ATOM 1866 CA ASP A 110 6.760 -8.152 -11.183 1.00 61.05 C ATOM 1867 C ASP A 110 8.020 -7.405 -10.707 1.00 34.15 C ATOM 1868 O ASP A 110 8.001 -6.792 -9.642 1.00 11.20 O ATOM 1869 CB ASP A 110 6.938 -9.699 -11.060 1.00 34.41 C ATOM 1870 CG ASP A 110 8.085 -10.277 -11.915 1.00 75.41 C ATOM 1871 OD1 ASP A 110 8.180 -9.929 -13.115 1.00 63.35 O ATOM 1872 OD2 ASP A 110 8.906 -11.063 -11.399 1.00 53.34 O ATOM 0 H ASP A 110 6.599 -8.518 -13.238 1.00 30.11 H new ATOM 0 HA ASP A 110 5.942 -7.849 -10.530 1.00 61.05 H new ATOM 0 HB2 ASP A 110 7.118 -9.950 -10.015 1.00 34.41 H new ATOM 0 HB3 ASP A 110 6.006 -10.184 -11.349 1.00 34.41 H new ATOM 1877 N GLU A 111 9.106 -7.432 -11.519 1.00 1.45 N ATOM 1878 CA GLU A 111 10.383 -6.765 -11.168 1.00 51.21 C ATOM 1879 C GLU A 111 10.206 -5.238 -11.161 1.00 43.04 C ATOM 1880 O GLU A 111 10.860 -4.524 -10.394 1.00 13.24 O ATOM 1881 CB GLU A 111 11.551 -7.225 -12.111 1.00 5.32 C ATOM 1882 CG GLU A 111 11.353 -7.017 -13.644 1.00 45.42 C ATOM 1883 CD GLU A 111 11.536 -5.564 -14.141 1.00 0.31 C ATOM 1884 OE1 GLU A 111 12.618 -4.975 -13.908 1.00 44.23 O ATOM 1885 OE2 GLU A 111 10.600 -5.006 -14.753 1.00 20.42 O ATOM 0 H GLU A 111 9.122 -7.909 -12.421 1.00 1.45 H new ATOM 0 HA GLU A 111 10.664 -7.068 -10.160 1.00 51.21 H new ATOM 0 HB2 GLU A 111 12.455 -6.695 -11.812 1.00 5.32 H new ATOM 0 HB3 GLU A 111 11.730 -8.286 -11.934 1.00 5.32 H new ATOM 0 HG2 GLU A 111 12.058 -7.657 -14.175 1.00 45.42 H new ATOM 0 HG3 GLU A 111 10.352 -7.353 -13.914 1.00 45.42 H new ATOM 1892 N GLU A 112 9.300 -4.769 -12.034 1.00 11.15 N ATOM 1893 CA GLU A 112 8.905 -3.363 -12.138 1.00 72.32 C ATOM 1894 C GLU A 112 8.247 -2.908 -10.832 1.00 72.11 C ATOM 1895 O GLU A 112 8.577 -1.852 -10.303 1.00 61.24 O ATOM 1896 CB GLU A 112 7.938 -3.197 -13.332 1.00 71.34 C ATOM 1897 CG GLU A 112 7.387 -1.773 -13.543 1.00 61.30 C ATOM 1898 CD GLU A 112 6.444 -1.670 -14.745 1.00 60.41 C ATOM 1899 OE1 GLU A 112 5.477 -2.460 -14.823 1.00 25.25 O ATOM 1900 OE2 GLU A 112 6.674 -0.819 -15.634 1.00 64.23 O ATOM 0 H GLU A 112 8.815 -5.372 -12.698 1.00 11.15 H new ATOM 0 HA GLU A 112 9.784 -2.741 -12.307 1.00 72.32 H new ATOM 0 HB2 GLU A 112 8.453 -3.507 -14.241 1.00 71.34 H new ATOM 0 HB3 GLU A 112 7.097 -3.877 -13.194 1.00 71.34 H new ATOM 0 HG2 GLU A 112 6.857 -1.457 -12.644 1.00 61.30 H new ATOM 0 HG3 GLU A 112 8.220 -1.084 -13.681 1.00 61.30 H new ATOM 1907 N ALA A 113 7.333 -3.750 -10.319 1.00 14.02 N ATOM 1908 CA ALA A 113 6.632 -3.509 -9.057 1.00 41.20 C ATOM 1909 C ALA A 113 7.611 -3.429 -7.878 1.00 5.42 C ATOM 1910 O ALA A 113 7.518 -2.509 -7.072 1.00 23.31 O ATOM 1911 CB ALA A 113 5.593 -4.607 -8.821 1.00 41.41 C ATOM 0 H ALA A 113 7.062 -4.621 -10.775 1.00 14.02 H new ATOM 0 HA ALA A 113 6.125 -2.547 -9.127 1.00 41.20 H new ATOM 0 HB1 ALA A 113 5.075 -4.422 -7.880 1.00 41.41 H new ATOM 0 HB2 ALA A 113 4.872 -4.607 -9.638 1.00 41.41 H new ATOM 0 HB3 ALA A 113 6.091 -5.576 -8.776 1.00 41.41 H new ATOM 1917 N LEU A 114 8.564 -4.393 -7.823 1.00 3.44 N ATOM 1918 CA LEU A 114 9.609 -4.472 -6.765 1.00 0.42 C ATOM 1919 C LEU A 114 10.450 -3.186 -6.728 1.00 33.14 C ATOM 1920 O LEU A 114 10.820 -2.690 -5.662 1.00 45.32 O ATOM 1921 CB LEU A 114 10.543 -5.699 -7.012 1.00 62.42 C ATOM 1922 CG LEU A 114 9.849 -7.089 -7.087 1.00 4.14 C ATOM 1923 CD1 LEU A 114 10.863 -8.224 -7.336 1.00 21.04 C ATOM 1924 CD2 LEU A 114 9.000 -7.361 -5.836 1.00 20.15 C ATOM 0 H LEU A 114 8.632 -5.141 -8.513 1.00 3.44 H new ATOM 0 HA LEU A 114 9.105 -4.590 -5.806 1.00 0.42 H new ATOM 0 HB2 LEU A 114 11.083 -5.536 -7.944 1.00 62.42 H new ATOM 0 HB3 LEU A 114 11.286 -5.730 -6.215 1.00 62.42 H new ATOM 0 HG LEU A 114 9.176 -7.065 -7.944 1.00 4.14 H new ATOM 0 HD11 LEU A 114 10.337 -9.178 -7.382 1.00 21.04 H new ATOM 0 HD12 LEU A 114 11.380 -8.049 -8.279 1.00 21.04 H new ATOM 0 HD13 LEU A 114 11.589 -8.248 -6.523 1.00 21.04 H new ATOM 0 HD21 LEU A 114 8.529 -8.340 -5.922 1.00 20.15 H new ATOM 0 HD22 LEU A 114 9.638 -7.341 -4.952 1.00 20.15 H new ATOM 0 HD23 LEU A 114 8.230 -6.595 -5.745 1.00 20.15 H new ATOM 1936 N LYS A 115 10.711 -2.668 -7.931 1.00 51.40 N ATOM 1937 CA LYS A 115 11.503 -1.466 -8.176 1.00 52.34 C ATOM 1938 C LYS A 115 10.781 -0.220 -7.624 1.00 3.53 C ATOM 1939 O LYS A 115 11.413 0.667 -7.041 1.00 32.22 O ATOM 1940 CB LYS A 115 11.689 -1.391 -9.705 1.00 63.54 C ATOM 1941 CG LYS A 115 12.635 -0.314 -10.262 1.00 73.12 C ATOM 1942 CD LYS A 115 12.728 -0.427 -11.808 1.00 62.21 C ATOM 1943 CE LYS A 115 13.251 -1.808 -12.275 1.00 73.31 C ATOM 1944 NZ LYS A 115 13.195 -1.971 -13.747 1.00 42.33 N ATOM 0 H LYS A 115 10.362 -3.092 -8.791 1.00 51.40 H new ATOM 0 HA LYS A 115 12.468 -1.502 -7.671 1.00 52.34 H new ATOM 0 HB2 LYS A 115 12.049 -2.362 -10.046 1.00 63.54 H new ATOM 0 HB3 LYS A 115 10.708 -1.239 -10.154 1.00 63.54 H new ATOM 0 HG2 LYS A 115 12.274 0.676 -9.984 1.00 73.12 H new ATOM 0 HG3 LYS A 115 13.626 -0.427 -9.822 1.00 73.12 H new ATOM 0 HD2 LYS A 115 11.744 -0.250 -12.241 1.00 62.21 H new ATOM 0 HD3 LYS A 115 13.388 0.354 -12.186 1.00 62.21 H new ATOM 0 HE2 LYS A 115 14.280 -1.936 -11.938 1.00 73.31 H new ATOM 0 HE3 LYS A 115 12.661 -2.594 -11.803 1.00 73.31 H new ATOM 0 HZ1 LYS A 115 13.002 -2.966 -13.979 1.00 42.33 H new ATOM 0 HZ2 LYS A 115 12.438 -1.372 -14.134 1.00 42.33 H new ATOM 0 HZ3 LYS A 115 14.106 -1.689 -14.162 1.00 42.33 H new ATOM 1958 N ILE A 116 9.441 -0.190 -7.794 1.00 2.31 N ATOM 1959 CA ILE A 116 8.589 0.917 -7.324 1.00 34.35 C ATOM 1960 C ILE A 116 8.394 0.854 -5.785 1.00 40.43 C ATOM 1961 O ILE A 116 8.268 1.894 -5.128 1.00 14.51 O ATOM 1962 CB ILE A 116 7.191 0.916 -8.043 1.00 32.02 C ATOM 1963 CG1 ILE A 116 7.344 0.933 -9.596 1.00 32.43 C ATOM 1964 CG2 ILE A 116 6.321 2.101 -7.585 1.00 44.21 C ATOM 1965 CD1 ILE A 116 8.022 2.156 -10.182 1.00 71.23 C ATOM 0 H ILE A 116 8.923 -0.934 -8.261 1.00 2.31 H new ATOM 0 HA ILE A 116 9.101 1.846 -7.576 1.00 34.35 H new ATOM 0 HB ILE A 116 6.691 -0.010 -7.758 1.00 32.02 H new ATOM 0 HG12 ILE A 116 7.909 0.050 -9.896 1.00 32.43 H new ATOM 0 HG13 ILE A 116 6.353 0.843 -10.040 1.00 32.43 H new ATOM 0 HG21 ILE A 116 5.362 2.069 -8.102 1.00 44.21 H new ATOM 0 HG22 ILE A 116 6.156 2.037 -6.509 1.00 44.21 H new ATOM 0 HG23 ILE A 116 6.829 3.037 -7.819 1.00 44.21 H new ATOM 0 HD11 ILE A 116 8.073 2.059 -11.266 1.00 71.23 H new ATOM 0 HD12 ILE A 116 7.450 3.048 -9.924 1.00 71.23 H new ATOM 0 HD13 ILE A 116 9.030 2.242 -9.777 1.00 71.23 H new ATOM 1977 N VAL A 117 8.356 -0.381 -5.230 1.00 15.14 N ATOM 1978 CA VAL A 117 8.330 -0.608 -3.767 1.00 41.41 C ATOM 1979 C VAL A 117 9.554 0.066 -3.128 1.00 21.40 C ATOM 1980 O VAL A 117 9.418 0.838 -2.177 1.00 2.44 O ATOM 1981 CB VAL A 117 8.303 -2.146 -3.404 1.00 10.13 C ATOM 1982 CG1 VAL A 117 8.398 -2.382 -1.874 1.00 1.03 C ATOM 1983 CG2 VAL A 117 7.036 -2.826 -3.970 1.00 61.05 C ATOM 0 H VAL A 117 8.343 -1.240 -5.779 1.00 15.14 H new ATOM 0 HA VAL A 117 7.413 -0.170 -3.373 1.00 41.41 H new ATOM 0 HB VAL A 117 9.181 -2.597 -3.866 1.00 10.13 H new ATOM 0 HG11 VAL A 117 8.376 -3.452 -1.669 1.00 1.03 H new ATOM 0 HG12 VAL A 117 9.330 -1.960 -1.498 1.00 1.03 H new ATOM 0 HG13 VAL A 117 7.555 -1.900 -1.379 1.00 1.03 H new ATOM 0 HG21 VAL A 117 7.042 -3.884 -3.706 1.00 61.05 H new ATOM 0 HG22 VAL A 117 6.150 -2.352 -3.549 1.00 61.05 H new ATOM 0 HG23 VAL A 117 7.022 -2.723 -5.055 1.00 61.05 H new ATOM 1993 N ARG A 118 10.737 -0.194 -3.733 1.00 44.41 N ATOM 1994 CA ARG A 118 12.022 0.378 -3.297 1.00 62.33 C ATOM 1995 C ARG A 118 11.983 1.915 -3.342 1.00 64.31 C ATOM 1996 O ARG A 118 12.541 2.569 -2.459 1.00 64.51 O ATOM 1997 CB ARG A 118 13.188 -0.150 -4.173 1.00 53.13 C ATOM 1998 CG ARG A 118 13.454 -1.659 -4.034 1.00 74.24 C ATOM 1999 CD ARG A 118 14.594 -2.141 -4.943 1.00 64.02 C ATOM 2000 NE ARG A 118 14.882 -3.562 -4.731 1.00 22.14 N ATOM 2001 CZ ARG A 118 16.097 -4.123 -4.701 1.00 52.43 C ATOM 2002 NH1 ARG A 118 17.198 -3.392 -4.870 1.00 64.14 N ATOM 2003 NH2 ARG A 118 16.198 -5.424 -4.494 1.00 73.32 N ATOM 0 H ARG A 118 10.821 -0.810 -4.541 1.00 44.41 H new ATOM 0 HA ARG A 118 12.191 0.065 -2.267 1.00 62.33 H new ATOM 0 HB2 ARG A 118 12.972 0.074 -5.218 1.00 53.13 H new ATOM 0 HB3 ARG A 118 14.097 0.392 -3.912 1.00 53.13 H new ATOM 0 HG2 ARG A 118 13.699 -1.887 -2.997 1.00 74.24 H new ATOM 0 HG3 ARG A 118 12.544 -2.209 -4.275 1.00 74.24 H new ATOM 0 HD2 ARG A 118 14.325 -1.974 -5.986 1.00 64.02 H new ATOM 0 HD3 ARG A 118 15.491 -1.553 -4.747 1.00 64.02 H new ATOM 0 HE ARG A 118 14.083 -4.181 -4.594 1.00 22.14 H new ATOM 0 HH11 ARG A 118 17.124 -2.387 -5.026 1.00 64.14 H new ATOM 0 HH12 ARG A 118 18.115 -3.838 -4.844 1.00 64.14 H new ATOM 0 HH21 ARG A 118 15.357 -5.986 -4.360 1.00 73.32 H new ATOM 0 HH22 ARG A 118 17.117 -5.867 -4.468 1.00 73.32 H new ATOM 2017 N GLU A 119 11.317 2.471 -4.384 1.00 72.41 N ATOM 2018 CA GLU A 119 11.112 3.921 -4.526 1.00 50.12 C ATOM 2019 C GLU A 119 10.330 4.477 -3.329 1.00 40.04 C ATOM 2020 O GLU A 119 10.823 5.364 -2.645 1.00 3.35 O ATOM 2021 CB GLU A 119 10.385 4.255 -5.860 1.00 31.44 C ATOM 2022 CG GLU A 119 11.228 4.008 -7.129 1.00 2.54 C ATOM 2023 CD GLU A 119 12.501 4.876 -7.166 1.00 51.10 C ATOM 2024 OE1 GLU A 119 12.388 6.108 -7.352 1.00 22.11 O ATOM 2025 OE2 GLU A 119 13.620 4.339 -7.012 1.00 1.44 O ATOM 0 H GLU A 119 10.911 1.923 -5.143 1.00 72.41 H new ATOM 0 HA GLU A 119 12.092 4.399 -4.548 1.00 50.12 H new ATOM 0 HB2 GLU A 119 9.475 3.658 -5.922 1.00 31.44 H new ATOM 0 HB3 GLU A 119 10.079 5.301 -5.840 1.00 31.44 H new ATOM 0 HG2 GLU A 119 11.507 2.956 -7.177 1.00 2.54 H new ATOM 0 HG3 GLU A 119 10.623 4.218 -8.011 1.00 2.54 H new ATOM 2032 N PHE A 120 9.134 3.898 -3.068 1.00 50.12 N ATOM 2033 CA PHE A 120 8.237 4.302 -1.955 1.00 71.51 C ATOM 2034 C PHE A 120 8.970 4.338 -0.599 1.00 53.45 C ATOM 2035 O PHE A 120 8.767 5.251 0.202 1.00 31.05 O ATOM 2036 CB PHE A 120 7.032 3.324 -1.860 1.00 21.12 C ATOM 2037 CG PHE A 120 6.035 3.383 -3.020 1.00 5.10 C ATOM 2038 CD1 PHE A 120 5.732 4.592 -3.658 1.00 35.35 C ATOM 2039 CD2 PHE A 120 5.365 2.235 -3.442 1.00 51.22 C ATOM 2040 CE1 PHE A 120 4.799 4.643 -4.671 1.00 62.33 C ATOM 2041 CE2 PHE A 120 4.429 2.298 -4.447 1.00 2.11 C ATOM 2042 CZ PHE A 120 4.150 3.497 -5.064 1.00 11.51 C ATOM 0 H PHE A 120 8.760 3.131 -3.627 1.00 50.12 H new ATOM 0 HA PHE A 120 7.887 5.311 -2.175 1.00 71.51 H new ATOM 0 HB2 PHE A 120 7.418 2.307 -1.788 1.00 21.12 H new ATOM 0 HB3 PHE A 120 6.495 3.527 -0.933 1.00 21.12 H new ATOM 0 HD1 PHE A 120 6.236 5.497 -3.352 1.00 35.35 H new ATOM 0 HD2 PHE A 120 5.584 1.286 -2.974 1.00 51.22 H new ATOM 0 HE1 PHE A 120 4.578 5.583 -5.156 1.00 62.33 H new ATOM 0 HE2 PHE A 120 3.910 1.402 -4.754 1.00 2.11 H new ATOM 0 HZ PHE A 120 3.420 3.537 -5.859 1.00 11.51 H new ATOM 2052 N MET A 121 9.841 3.336 -0.391 1.00 72.32 N ATOM 2053 CA MET A 121 10.594 3.131 0.862 1.00 34.21 C ATOM 2054 C MET A 121 11.644 4.240 1.110 1.00 2.21 C ATOM 2055 O MET A 121 12.036 4.480 2.258 1.00 44.11 O ATOM 2056 CB MET A 121 11.259 1.733 0.822 1.00 43.44 C ATOM 2057 CG MET A 121 10.250 0.569 0.781 1.00 24.24 C ATOM 2058 SD MET A 121 10.991 -1.002 0.293 1.00 41.02 S ATOM 2059 CE MET A 121 12.204 -1.233 1.577 1.00 3.51 C ATOM 0 H MET A 121 10.046 2.632 -1.100 1.00 72.32 H new ATOM 0 HA MET A 121 9.895 3.186 1.697 1.00 34.21 H new ATOM 0 HB2 MET A 121 11.906 1.673 -0.053 1.00 43.44 H new ATOM 0 HB3 MET A 121 11.897 1.619 1.698 1.00 43.44 H new ATOM 0 HG2 MET A 121 9.794 0.458 1.765 1.00 24.24 H new ATOM 0 HG3 MET A 121 9.449 0.816 0.085 1.00 24.24 H new ATOM 0 HE1 MET A 121 12.525 -2.274 1.591 1.00 3.51 H new ATOM 0 HE2 MET A 121 13.063 -0.590 1.386 1.00 3.51 H new ATOM 0 HE3 MET A 121 11.766 -0.976 2.542 1.00 3.51 H new ATOM 2069 N GLN A 122 12.089 4.904 0.023 1.00 52.11 N ATOM 2070 CA GLN A 122 13.053 6.028 0.088 1.00 24.11 C ATOM 2071 C GLN A 122 12.380 7.274 0.670 1.00 63.40 C ATOM 2072 O GLN A 122 12.938 7.944 1.552 1.00 4.03 O ATOM 2073 CB GLN A 122 13.604 6.331 -1.328 1.00 34.03 C ATOM 2074 CG GLN A 122 14.334 5.138 -1.971 1.00 12.14 C ATOM 2075 CD GLN A 122 14.607 5.313 -3.462 1.00 24.35 C ATOM 2076 OE1 GLN A 122 14.796 6.427 -3.949 1.00 11.15 O ATOM 2077 NE2 GLN A 122 14.608 4.216 -4.205 1.00 15.33 N ATOM 0 H GLN A 122 11.791 4.678 -0.926 1.00 52.11 H new ATOM 0 HA GLN A 122 13.880 5.745 0.739 1.00 24.11 H new ATOM 0 HB2 GLN A 122 12.779 6.633 -1.973 1.00 34.03 H new ATOM 0 HB3 GLN A 122 14.289 7.177 -1.269 1.00 34.03 H new ATOM 0 HG2 GLN A 122 15.281 4.982 -1.454 1.00 12.14 H new ATOM 0 HG3 GLN A 122 13.738 4.237 -1.824 1.00 12.14 H new ATOM 0 HE21 GLN A 122 14.448 3.306 -3.772 1.00 15.33 H new ATOM 0 HE22 GLN A 122 14.769 4.281 -5.210 1.00 15.33 H new ATOM 2086 N LYS A 123 11.162 7.567 0.161 1.00 33.11 N ATOM 2087 CA LYS A 123 10.358 8.720 0.620 1.00 64.33 C ATOM 2088 C LYS A 123 9.778 8.428 2.016 1.00 61.03 C ATOM 2089 O LYS A 123 9.555 9.347 2.805 1.00 53.01 O ATOM 2090 CB LYS A 123 9.195 9.089 -0.358 1.00 35.21 C ATOM 2091 CG LYS A 123 9.586 9.435 -1.823 1.00 71.35 C ATOM 2092 CD LYS A 123 9.905 8.184 -2.664 1.00 53.43 C ATOM 2093 CE LYS A 123 10.145 8.461 -4.156 1.00 24.44 C ATOM 2094 NZ LYS A 123 8.924 8.973 -4.828 1.00 73.13 N ATOM 0 H LYS A 123 10.713 7.017 -0.572 1.00 33.11 H new ATOM 0 HA LYS A 123 11.031 9.576 0.654 1.00 64.33 H new ATOM 0 HB2 LYS A 123 8.495 8.253 -0.383 1.00 35.21 H new ATOM 0 HB3 LYS A 123 8.659 9.941 0.060 1.00 35.21 H new ATOM 0 HG2 LYS A 123 8.770 9.985 -2.292 1.00 71.35 H new ATOM 0 HG3 LYS A 123 10.454 10.095 -1.817 1.00 71.35 H new ATOM 0 HD2 LYS A 123 10.790 7.700 -2.251 1.00 53.43 H new ATOM 0 HD3 LYS A 123 9.081 7.477 -2.567 1.00 53.43 H new ATOM 0 HE2 LYS A 123 10.951 9.187 -4.265 1.00 24.44 H new ATOM 0 HE3 LYS A 123 10.472 7.545 -4.647 1.00 24.44 H new ATOM 0 HZ1 LYS A 123 9.103 9.067 -5.848 1.00 73.13 H new ATOM 0 HZ2 LYS A 123 8.139 8.309 -4.674 1.00 73.13 H new ATOM 0 HZ3 LYS A 123 8.674 9.902 -4.433 1.00 73.13 H new ATOM 2108 N ALA A 124 9.546 7.125 2.289 1.00 75.33 N ATOM 2109 CA ALA A 124 9.041 6.641 3.583 1.00 4.01 C ATOM 2110 C ALA A 124 10.075 6.907 4.688 1.00 54.12 C ATOM 2111 O ALA A 124 9.742 7.399 5.765 1.00 64.10 O ATOM 2112 CB ALA A 124 8.716 5.134 3.501 1.00 74.14 C ATOM 0 H ALA A 124 9.706 6.380 1.611 1.00 75.33 H new ATOM 0 HA ALA A 124 8.125 7.180 3.826 1.00 4.01 H new ATOM 0 HB1 ALA A 124 8.343 4.789 4.466 1.00 74.14 H new ATOM 0 HB2 ALA A 124 7.956 4.967 2.738 1.00 74.14 H new ATOM 0 HB3 ALA A 124 9.619 4.581 3.242 1.00 74.14 H new ATOM 2118 N GLY A 125 11.345 6.573 4.387 1.00 61.34 N ATOM 2119 CA GLY A 125 12.454 6.788 5.314 1.00 74.03 C ATOM 2120 C GLY A 125 12.698 8.267 5.619 1.00 63.32 C ATOM 2121 O GLY A 125 12.987 8.633 6.767 1.00 13.13 O ATOM 0 H GLY A 125 11.621 6.151 3.501 1.00 61.34 H new ATOM 0 HA2 GLY A 125 12.250 6.259 6.245 1.00 74.03 H new ATOM 0 HA3 GLY A 125 13.361 6.355 4.893 1.00 74.03 H new ATOM 2125 N SER A 126 12.558 9.126 4.588 1.00 55.21 N ATOM 2126 CA SER A 126 12.778 10.577 4.713 1.00 24.13 C ATOM 2127 C SER A 126 11.677 11.275 5.541 1.00 31.33 C ATOM 2128 O SER A 126 11.886 12.401 5.975 1.00 52.00 O ATOM 2129 CB SER A 126 12.916 11.235 3.314 1.00 70.42 C ATOM 2130 OG SER A 126 11.761 11.048 2.514 1.00 33.42 O ATOM 0 H SER A 126 12.290 8.832 3.649 1.00 55.21 H new ATOM 0 HA SER A 126 13.713 10.709 5.257 1.00 24.13 H new ATOM 0 HB2 SER A 126 13.103 12.302 3.434 1.00 70.42 H new ATOM 0 HB3 SER A 126 13.782 10.815 2.802 1.00 70.42 H new ATOM 0 HG SER A 126 11.160 10.409 2.951 1.00 33.42 H new ATOM 2136 N LEU A 127 10.508 10.603 5.731 1.00 75.00 N ATOM 2137 CA LEU A 127 9.341 11.164 6.471 1.00 12.34 C ATOM 2138 C LEU A 127 9.685 11.653 7.895 1.00 74.32 C ATOM 2139 O LEU A 127 9.001 12.537 8.414 1.00 40.23 O ATOM 2140 CB LEU A 127 8.174 10.135 6.557 1.00 24.14 C ATOM 2141 CG LEU A 127 7.494 9.745 5.208 1.00 65.22 C ATOM 2142 CD1 LEU A 127 6.357 8.720 5.417 1.00 62.50 C ATOM 2143 CD2 LEU A 127 7.000 10.990 4.442 1.00 52.42 C ATOM 0 H LEU A 127 10.348 9.660 5.377 1.00 75.00 H new ATOM 0 HA LEU A 127 9.032 12.033 5.890 1.00 12.34 H new ATOM 0 HB2 LEU A 127 8.553 9.226 7.024 1.00 24.14 H new ATOM 0 HB3 LEU A 127 7.410 10.539 7.221 1.00 24.14 H new ATOM 0 HG LEU A 127 8.253 9.263 4.592 1.00 65.22 H new ATOM 0 HD11 LEU A 127 5.908 8.473 4.455 1.00 62.50 H new ATOM 0 HD12 LEU A 127 6.762 7.815 5.871 1.00 62.50 H new ATOM 0 HD13 LEU A 127 5.598 9.147 6.073 1.00 62.50 H new ATOM 0 HD21 LEU A 127 6.532 10.680 3.508 1.00 52.42 H new ATOM 0 HD22 LEU A 127 6.273 11.527 5.051 1.00 52.42 H new ATOM 0 HD23 LEU A 127 7.845 11.643 4.225 1.00 52.42 H new