USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 671 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 56 HIS : no HD1:sc= 0 X(o=-1.3,f=-1.3) USER MOD Set 1.2: A 85 SER OG : rot 100:sc= -1.32 USER MOD Set 2.1: A 12 THR OG1 : rot 66:sc= 1.75 USER MOD Set 2.2: A 75 LYS NZ :NH3+ 145:sc= 0.393 (180deg=-0.366) USER MOD Set 3.1: A 71 GLN : amide:sc= -0.693 K(o=-0.69,f=-3.2!) USER MOD Set 3.2: A 73 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 54 GLN : amide:sc= 1.93 K(o=2.7,f=-11) USER MOD Set 4.2: A 60 GLN : amide:sc= 0.725 K(o=2.7,f=-8.9!) USER MOD Set 5.1: A 1 MET N :NH3+ 149:sc= 0.0505 (180deg=0) USER MOD Set 5.2: A 4 THR OG1 : rot -38:sc= 0.694 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -0.312 K(o=-0.31,f=-2.3!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0.75 K(o=0.75,f=-6.2!) USER MOD Single : A 17 SER OG : rot -60:sc= 1.23 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.0294 X(o=-0.029,f=-0.039) USER MOD Single : A 40 GLN : amide:sc= -0.269 K(o=-0.27,f=-2.8!) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=-0.0089) USER MOD Single : A 45 SER OG : rot 180:sc= 0.183 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl -178:sc= -0.0974 (180deg=-0.0991) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0329) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -92:sc= 0.696 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.410 -8.368 -1.393 1.00 6.70 N ATOM 2 CA MET A 1 -1.075 -7.883 -0.972 1.00 6.30 C ATOM 3 C MET A 1 -1.083 -6.363 -0.881 1.00 5.83 C ATOM 4 O MET A 1 -1.901 -5.705 -1.529 1.00 6.14 O ATOM 5 CB MET A 1 -0.001 -8.343 -1.961 1.00 6.81 C ATOM 6 CG MET A 1 0.940 -9.393 -1.395 1.00 7.17 C ATOM 7 SD MET A 1 0.380 -11.077 -1.721 1.00 7.86 S ATOM 8 CE MET A 1 1.793 -11.737 -2.600 1.00 8.54 C ATOM 0 H1 MET A 1 -2.303 -9.244 -1.943 1.00 6.70 H new ATOM 0 H2 MET A 1 -2.992 -8.555 -0.552 1.00 6.70 H new ATOM 0 H3 MET A 1 -2.873 -7.645 -1.980 1.00 6.70 H new ATOM 0 HA MET A 1 -0.844 -8.300 0.008 1.00 6.30 H new ATOM 0 HB2 MET A 1 -0.487 -8.744 -2.850 1.00 6.81 H new ATOM 0 HB3 MET A 1 0.582 -7.479 -2.279 1.00 6.81 H new ATOM 0 HG2 MET A 1 1.932 -9.255 -1.824 1.00 7.17 H new ATOM 0 HG3 MET A 1 1.035 -9.248 -0.319 1.00 7.17 H new ATOM 0 HE1 MET A 1 1.600 -12.775 -2.871 1.00 8.54 H new ATOM 0 HE2 MET A 1 1.965 -11.152 -3.503 1.00 8.54 H new ATOM 0 HE3 MET A 1 2.675 -11.686 -1.961 1.00 8.54 H new ATOM 20 N GLY A 2 -0.184 -5.812 -0.070 1.00 5.41 N ATOM 21 CA GLY A 2 -0.121 -4.372 0.109 1.00 5.21 C ATOM 22 C GLY A 2 -1.414 -3.813 0.670 1.00 4.76 C ATOM 23 O GLY A 2 -1.828 -4.175 1.774 1.00 5.03 O ATOM 0 H GLY A 2 0.504 -6.339 0.468 1.00 5.41 H new ATOM 0 HA2 GLY A 2 0.702 -4.126 0.780 1.00 5.21 H new ATOM 0 HA3 GLY A 2 0.095 -3.897 -0.848 1.00 5.21 H new ATOM 27 N VAL A 3 -2.057 -2.939 -0.088 1.00 4.46 N ATOM 28 CA VAL A 3 -3.349 -2.397 0.304 1.00 4.34 C ATOM 29 C VAL A 3 -4.456 -3.082 -0.480 1.00 3.47 C ATOM 30 O VAL A 3 -5.580 -3.221 0.003 1.00 3.74 O ATOM 31 CB VAL A 3 -3.449 -0.872 0.071 1.00 5.24 C ATOM 32 CG1 VAL A 3 -4.018 -0.184 1.303 1.00 6.05 C ATOM 33 CG2 VAL A 3 -2.099 -0.273 -0.302 1.00 5.84 C ATOM 0 H VAL A 3 -1.705 -2.589 -0.979 1.00 4.46 H new ATOM 0 HA VAL A 3 -3.457 -2.583 1.372 1.00 4.34 H new ATOM 0 HB VAL A 3 -4.125 -0.707 -0.768 1.00 5.24 H new ATOM 0 HG11 VAL A 3 -4.082 0.889 1.123 1.00 6.05 H new ATOM 0 HG12 VAL A 3 -5.013 -0.577 1.512 1.00 6.05 H new ATOM 0 HG13 VAL A 3 -3.367 -0.371 2.157 1.00 6.05 H new ATOM 0 HG21 VAL A 3 -2.208 0.800 -0.458 1.00 5.84 H new ATOM 0 HG22 VAL A 3 -1.387 -0.452 0.503 1.00 5.84 H new ATOM 0 HG23 VAL A 3 -1.735 -0.738 -1.218 1.00 5.84 H new ATOM 43 N THR A 4 -4.114 -3.527 -1.686 1.00 2.94 N ATOM 44 CA THR A 4 -5.074 -4.142 -2.592 1.00 2.60 C ATOM 45 C THR A 4 -6.197 -3.152 -2.921 1.00 2.42 C ATOM 46 O THR A 4 -5.922 -2.039 -3.379 1.00 3.09 O ATOM 47 CB THR A 4 -5.657 -5.449 -2.006 1.00 2.97 C ATOM 48 OG1 THR A 4 -4.717 -6.043 -1.097 1.00 3.36 O ATOM 49 CG2 THR A 4 -5.988 -6.443 -3.110 1.00 3.59 C ATOM 0 H THR A 4 -3.167 -3.471 -2.060 1.00 2.94 H new ATOM 0 HA THR A 4 -4.548 -4.402 -3.510 1.00 2.60 H new ATOM 0 HB THR A 4 -6.575 -5.199 -1.474 1.00 2.97 H new ATOM 0 HG1 THR A 4 -3.808 -5.930 -1.446 1.00 3.36 H new ATOM 0 HG21 THR A 4 -6.396 -7.353 -2.670 1.00 3.59 H new ATOM 0 HG22 THR A 4 -6.723 -6.005 -3.785 1.00 3.59 H new ATOM 0 HG23 THR A 4 -5.082 -6.684 -3.666 1.00 3.59 H new ATOM 57 N GLU A 5 -7.443 -3.557 -2.683 1.00 2.01 N ATOM 58 CA GLU A 5 -8.607 -2.698 -2.903 1.00 1.95 C ATOM 59 C GLU A 5 -8.816 -2.377 -4.384 1.00 2.02 C ATOM 60 O GLU A 5 -7.944 -2.610 -5.226 1.00 2.45 O ATOM 61 CB GLU A 5 -8.492 -1.405 -2.092 1.00 2.25 C ATOM 62 CG GLU A 5 -9.685 -1.158 -1.187 1.00 2.50 C ATOM 63 CD GLU A 5 -9.311 -1.137 0.276 1.00 3.01 C ATOM 64 OE1 GLU A 5 -8.921 -0.063 0.776 1.00 3.44 O ATOM 65 OE2 GLU A 5 -9.417 -2.193 0.936 1.00 3.47 O ATOM 0 H GLU A 5 -7.675 -4.487 -2.333 1.00 2.01 H new ATOM 0 HA GLU A 5 -9.480 -3.254 -2.561 1.00 1.95 H new ATOM 0 HB2 GLU A 5 -7.587 -1.443 -1.486 1.00 2.25 H new ATOM 0 HB3 GLU A 5 -8.383 -0.563 -2.776 1.00 2.25 H new ATOM 0 HG2 GLU A 5 -10.148 -0.208 -1.453 1.00 2.50 H new ATOM 0 HG3 GLU A 5 -10.431 -1.934 -1.356 1.00 2.50 H new ATOM 72 N ALA A 6 -9.999 -1.870 -4.695 1.00 1.93 N ATOM 73 CA ALA A 6 -10.327 -1.456 -6.045 1.00 2.21 C ATOM 74 C ALA A 6 -11.561 -0.566 -6.035 1.00 1.87 C ATOM 75 O ALA A 6 -12.449 -0.725 -5.201 1.00 2.34 O ATOM 76 CB ALA A 6 -10.548 -2.667 -6.943 1.00 3.01 C ATOM 0 H ALA A 6 -10.753 -1.736 -4.021 1.00 1.93 H new ATOM 0 HA ALA A 6 -9.488 -0.887 -6.446 1.00 2.21 H new ATOM 0 HB1 ALA A 6 -10.793 -2.333 -7.951 1.00 3.01 H new ATOM 0 HB2 ALA A 6 -9.640 -3.270 -6.971 1.00 3.01 H new ATOM 0 HB3 ALA A 6 -11.369 -3.266 -6.550 1.00 3.01 H new ATOM 82 N GLN A 7 -11.598 0.389 -6.947 1.00 1.57 N ATOM 83 CA GLN A 7 -12.744 1.276 -7.083 1.00 1.65 C ATOM 84 C GLN A 7 -13.287 1.178 -8.501 1.00 1.53 C ATOM 85 O GLN A 7 -13.783 2.150 -9.068 1.00 1.80 O ATOM 86 CB GLN A 7 -12.352 2.725 -6.763 1.00 2.14 C ATOM 87 CG GLN A 7 -11.585 2.884 -5.455 1.00 2.64 C ATOM 88 CD GLN A 7 -10.084 2.742 -5.633 1.00 3.04 C ATOM 89 OE1 GLN A 7 -9.564 2.858 -6.743 1.00 3.51 O ATOM 90 NE2 GLN A 7 -9.378 2.477 -4.545 1.00 3.49 N ATOM 0 H GLN A 7 -10.844 0.572 -7.609 1.00 1.57 H new ATOM 0 HA GLN A 7 -13.515 0.972 -6.375 1.00 1.65 H new ATOM 0 HB2 GLN A 7 -11.744 3.115 -7.579 1.00 2.14 H new ATOM 0 HB3 GLN A 7 -13.255 3.334 -6.719 1.00 2.14 H new ATOM 0 HG2 GLN A 7 -11.805 3.862 -5.027 1.00 2.64 H new ATOM 0 HG3 GLN A 7 -11.934 2.138 -4.741 1.00 2.64 H new ATOM 0 HE21 GLN A 7 -9.845 2.388 -3.643 1.00 3.49 H new ATOM 0 HE22 GLN A 7 -8.367 2.362 -4.609 1.00 3.49 H new ATOM 99 N TYR A 8 -13.188 -0.020 -9.067 1.00 1.48 N ATOM 100 CA TYR A 8 -13.535 -0.237 -10.464 1.00 1.47 C ATOM 101 C TYR A 8 -14.722 -1.184 -10.600 1.00 1.56 C ATOM 102 O TYR A 8 -14.972 -1.734 -11.673 1.00 2.27 O ATOM 103 CB TYR A 8 -12.328 -0.799 -11.215 1.00 1.61 C ATOM 104 CG TYR A 8 -12.325 -0.472 -12.691 1.00 1.62 C ATOM 105 CD1 TYR A 8 -12.308 0.844 -13.131 1.00 1.71 C ATOM 106 CD2 TYR A 8 -12.338 -1.482 -13.642 1.00 1.79 C ATOM 107 CE1 TYR A 8 -12.304 1.143 -14.478 1.00 1.89 C ATOM 108 CE2 TYR A 8 -12.336 -1.191 -14.991 1.00 2.00 C ATOM 109 CZ TYR A 8 -12.317 0.122 -15.404 1.00 2.01 C ATOM 110 OH TYR A 8 -12.307 0.413 -16.749 1.00 2.32 O ATOM 0 H TYR A 8 -12.870 -0.856 -8.577 1.00 1.48 H new ATOM 0 HA TYR A 8 -13.820 0.722 -10.897 1.00 1.47 H new ATOM 0 HB2 TYR A 8 -11.416 -0.408 -10.763 1.00 1.61 H new ATOM 0 HB3 TYR A 8 -12.306 -1.882 -11.092 1.00 1.61 H new ATOM 0 HD1 TYR A 8 -12.298 1.646 -12.408 1.00 1.71 H new ATOM 0 HD2 TYR A 8 -12.350 -2.513 -13.321 1.00 1.79 H new ATOM 0 HE1 TYR A 8 -12.291 2.172 -14.805 1.00 1.89 H new ATOM 0 HE2 TYR A 8 -12.349 -1.989 -15.719 1.00 2.00 H new ATOM 0 HH TYR A 8 -12.317 -0.421 -17.264 1.00 2.32 H new ATOM 120 N VAL A 9 -15.457 -1.372 -9.515 1.00 1.35 N ATOM 121 CA VAL A 9 -16.628 -2.235 -9.534 1.00 1.47 C ATOM 122 C VAL A 9 -17.817 -1.500 -10.178 1.00 1.51 C ATOM 123 O VAL A 9 -18.807 -1.151 -9.531 1.00 2.13 O ATOM 124 CB VAL A 9 -16.964 -2.754 -8.107 1.00 1.74 C ATOM 125 CG1 VAL A 9 -17.181 -1.610 -7.124 1.00 2.00 C ATOM 126 CG2 VAL A 9 -18.162 -3.698 -8.130 1.00 2.05 C ATOM 0 H VAL A 9 -15.264 -0.939 -8.612 1.00 1.35 H new ATOM 0 HA VAL A 9 -16.409 -3.112 -10.143 1.00 1.47 H new ATOM 0 HB VAL A 9 -16.100 -3.319 -7.758 1.00 1.74 H new ATOM 0 HG11 VAL A 9 -17.413 -2.016 -6.139 1.00 2.00 H new ATOM 0 HG12 VAL A 9 -16.276 -1.006 -7.063 1.00 2.00 H new ATOM 0 HG13 VAL A 9 -18.009 -0.989 -7.465 1.00 2.00 H new ATOM 0 HG21 VAL A 9 -18.372 -4.044 -7.118 1.00 2.05 H new ATOM 0 HG22 VAL A 9 -19.032 -3.172 -8.522 1.00 2.05 H new ATOM 0 HG23 VAL A 9 -17.939 -4.554 -8.767 1.00 2.05 H new ATOM 136 N ALA A 10 -17.683 -1.238 -11.471 1.00 1.41 N ATOM 137 CA ALA A 10 -18.711 -0.549 -12.233 1.00 1.50 C ATOM 138 C ALA A 10 -19.441 -1.524 -13.148 1.00 1.34 C ATOM 139 O ALA A 10 -18.901 -1.955 -14.172 1.00 1.73 O ATOM 140 CB ALA A 10 -18.101 0.584 -13.044 1.00 2.09 C ATOM 0 H ALA A 10 -16.862 -1.497 -12.018 1.00 1.41 H new ATOM 0 HA ALA A 10 -19.432 -0.126 -11.534 1.00 1.50 H new ATOM 0 HB1 ALA A 10 -18.884 1.090 -13.609 1.00 2.09 H new ATOM 0 HB2 ALA A 10 -17.621 1.295 -12.372 1.00 2.09 H new ATOM 0 HB3 ALA A 10 -17.360 0.180 -13.733 1.00 2.09 H new ATOM 146 N PRO A 11 -20.673 -1.893 -12.787 1.00 1.24 N ATOM 147 CA PRO A 11 -21.477 -2.830 -13.552 1.00 1.52 C ATOM 148 C PRO A 11 -22.211 -2.147 -14.700 1.00 1.50 C ATOM 149 O PRO A 11 -22.441 -0.937 -14.680 1.00 1.83 O ATOM 150 CB PRO A 11 -22.481 -3.374 -12.522 1.00 1.87 C ATOM 151 CG PRO A 11 -22.234 -2.619 -11.247 1.00 1.88 C ATOM 152 CD PRO A 11 -21.389 -1.430 -11.601 1.00 1.45 C ATOM 0 HA PRO A 11 -20.868 -3.605 -14.017 1.00 1.52 H new ATOM 0 HB2 PRO A 11 -23.505 -3.231 -12.866 1.00 1.87 H new ATOM 0 HB3 PRO A 11 -22.342 -4.445 -12.372 1.00 1.87 H new ATOM 0 HG2 PRO A 11 -23.175 -2.304 -10.797 1.00 1.88 H new ATOM 0 HG3 PRO A 11 -21.727 -3.250 -10.517 1.00 1.88 H new ATOM 0 HD2 PRO A 11 -21.996 -0.549 -11.811 1.00 1.45 H new ATOM 0 HD3 PRO A 11 -20.707 -1.162 -10.794 1.00 1.45 H new ATOM 160 N THR A 12 -22.562 -2.920 -15.706 1.00 1.33 N ATOM 161 CA THR A 12 -23.326 -2.408 -16.827 1.00 1.44 C ATOM 162 C THR A 12 -24.724 -3.013 -16.813 1.00 1.40 C ATOM 163 O THR A 12 -25.725 -2.313 -16.977 1.00 1.90 O ATOM 164 CB THR A 12 -22.632 -2.730 -18.165 1.00 1.69 C ATOM 165 OG1 THR A 12 -21.470 -3.542 -17.933 1.00 1.79 O ATOM 166 CG2 THR A 12 -22.225 -1.454 -18.882 1.00 2.04 C ATOM 0 H THR A 12 -22.329 -3.911 -15.771 1.00 1.33 H new ATOM 0 HA THR A 12 -23.393 -1.324 -16.730 1.00 1.44 H new ATOM 0 HB THR A 12 -23.337 -3.274 -18.793 1.00 1.69 H new ATOM 0 HG1 THR A 12 -21.745 -4.415 -17.582 1.00 1.79 H new ATOM 0 HG21 THR A 12 -21.737 -1.706 -19.824 1.00 2.04 H new ATOM 0 HG22 THR A 12 -23.111 -0.851 -19.082 1.00 2.04 H new ATOM 0 HG23 THR A 12 -21.535 -0.889 -18.256 1.00 2.04 H new ATOM 174 N ASN A 13 -24.779 -4.318 -16.588 1.00 1.11 N ATOM 175 CA ASN A 13 -26.035 -5.044 -16.497 1.00 1.23 C ATOM 176 C ASN A 13 -26.218 -5.587 -15.082 1.00 1.03 C ATOM 177 O ASN A 13 -25.345 -5.424 -14.228 1.00 1.32 O ATOM 178 CB ASN A 13 -26.056 -6.195 -17.512 1.00 1.71 C ATOM 179 CG ASN A 13 -27.436 -6.457 -18.085 1.00 1.80 C ATOM 180 OD1 ASN A 13 -28.435 -6.447 -17.364 1.00 2.19 O ATOM 181 ND2 ASN A 13 -27.501 -6.714 -19.383 1.00 2.24 N ATOM 0 H ASN A 13 -23.953 -4.903 -16.463 1.00 1.11 H new ATOM 0 HA ASN A 13 -26.855 -4.363 -16.725 1.00 1.23 H new ATOM 0 HB2 ASN A 13 -25.368 -5.966 -18.326 1.00 1.71 H new ATOM 0 HB3 ASN A 13 -25.690 -7.102 -17.031 1.00 1.71 H new ATOM 0 HD21 ASN A 13 -28.401 -6.913 -19.819 1.00 2.24 H new ATOM 0 HD22 ASN A 13 -26.651 -6.713 -19.946 1.00 2.24 H new ATOM 188 N ALA A 14 -27.350 -6.231 -14.836 1.00 1.04 N ATOM 189 CA ALA A 14 -27.634 -6.802 -13.524 1.00 1.05 C ATOM 190 C ALA A 14 -26.948 -8.156 -13.363 1.00 0.96 C ATOM 191 O ALA A 14 -26.801 -8.662 -12.250 1.00 0.91 O ATOM 192 CB ALA A 14 -29.137 -6.940 -13.318 1.00 1.42 C ATOM 0 H ALA A 14 -28.087 -6.372 -15.526 1.00 1.04 H new ATOM 0 HA ALA A 14 -27.239 -6.127 -12.765 1.00 1.05 H new ATOM 0 HB1 ALA A 14 -29.332 -7.367 -12.334 1.00 1.42 H new ATOM 0 HB2 ALA A 14 -29.605 -5.958 -13.386 1.00 1.42 H new ATOM 0 HB3 ALA A 14 -29.551 -7.593 -14.086 1.00 1.42 H new ATOM 198 N VAL A 15 -26.510 -8.723 -14.484 1.00 1.05 N ATOM 199 CA VAL A 15 -25.874 -10.035 -14.494 1.00 1.12 C ATOM 200 C VAL A 15 -24.556 -10.010 -13.729 1.00 0.97 C ATOM 201 O VAL A 15 -24.373 -10.753 -12.760 1.00 0.96 O ATOM 202 CB VAL A 15 -25.613 -10.533 -15.933 1.00 1.38 C ATOM 203 CG1 VAL A 15 -25.380 -12.036 -15.946 1.00 1.45 C ATOM 204 CG2 VAL A 15 -26.767 -10.158 -16.851 1.00 1.99 C ATOM 0 H VAL A 15 -26.586 -8.289 -15.404 1.00 1.05 H new ATOM 0 HA VAL A 15 -26.565 -10.722 -14.005 1.00 1.12 H new ATOM 0 HB VAL A 15 -24.712 -10.045 -16.305 1.00 1.38 H new ATOM 0 HG11 VAL A 15 -25.198 -12.367 -16.968 1.00 1.45 H new ATOM 0 HG12 VAL A 15 -24.515 -12.275 -15.328 1.00 1.45 H new ATOM 0 HG13 VAL A 15 -26.260 -12.544 -15.551 1.00 1.45 H new ATOM 0 HG21 VAL A 15 -26.562 -10.518 -17.859 1.00 1.99 H new ATOM 0 HG22 VAL A 15 -27.687 -10.612 -16.483 1.00 1.99 H new ATOM 0 HG23 VAL A 15 -26.880 -9.074 -16.869 1.00 1.99 H new ATOM 214 N GLU A 16 -23.650 -9.139 -14.151 1.00 0.95 N ATOM 215 CA GLU A 16 -22.345 -9.031 -13.518 1.00 0.94 C ATOM 216 C GLU A 16 -22.462 -8.368 -12.156 1.00 0.83 C ATOM 217 O GLU A 16 -21.598 -8.540 -11.309 1.00 0.86 O ATOM 218 CB GLU A 16 -21.371 -8.250 -14.402 1.00 1.06 C ATOM 219 CG GLU A 16 -21.698 -6.772 -14.528 1.00 1.37 C ATOM 220 CD GLU A 16 -22.553 -6.466 -15.736 1.00 1.45 C ATOM 221 OE1 GLU A 16 -23.505 -7.222 -16.005 1.00 1.93 O ATOM 222 OE2 GLU A 16 -22.277 -5.460 -16.420 1.00 1.53 O ATOM 0 H GLU A 16 -23.796 -8.497 -14.930 1.00 0.95 H new ATOM 0 HA GLU A 16 -21.955 -10.040 -13.383 1.00 0.94 H new ATOM 0 HB2 GLU A 16 -20.365 -8.355 -13.997 1.00 1.06 H new ATOM 0 HB3 GLU A 16 -21.362 -8.696 -15.397 1.00 1.06 H new ATOM 0 HG2 GLU A 16 -22.216 -6.440 -13.628 1.00 1.37 H new ATOM 0 HG3 GLU A 16 -20.771 -6.203 -14.590 1.00 1.37 H new ATOM 229 N SER A 17 -23.528 -7.605 -11.955 1.00 0.83 N ATOM 230 CA SER A 17 -23.785 -6.988 -10.665 1.00 0.89 C ATOM 231 C SER A 17 -23.995 -8.063 -9.602 1.00 0.85 C ATOM 232 O SER A 17 -23.383 -8.027 -8.536 1.00 0.88 O ATOM 233 CB SER A 17 -25.008 -6.070 -10.745 1.00 1.09 C ATOM 234 OG SER A 17 -24.676 -4.736 -10.389 1.00 1.48 O ATOM 0 H SER A 17 -24.227 -7.400 -12.669 1.00 0.83 H new ATOM 0 HA SER A 17 -22.920 -6.385 -10.388 1.00 0.89 H new ATOM 0 HB2 SER A 17 -25.414 -6.088 -11.757 1.00 1.09 H new ATOM 0 HB3 SER A 17 -25.789 -6.442 -10.082 1.00 1.09 H new ATOM 0 HG SER A 17 -24.336 -4.718 -9.470 1.00 1.48 H new ATOM 240 N LYS A 18 -24.841 -9.035 -9.914 1.00 0.85 N ATOM 241 CA LYS A 18 -25.117 -10.131 -8.997 1.00 0.92 C ATOM 242 C LYS A 18 -23.847 -10.921 -8.697 1.00 0.84 C ATOM 243 O LYS A 18 -23.555 -11.228 -7.542 1.00 0.85 O ATOM 244 CB LYS A 18 -26.182 -11.055 -9.583 1.00 1.07 C ATOM 245 CG LYS A 18 -27.598 -10.526 -9.427 1.00 1.38 C ATOM 246 CD LYS A 18 -28.573 -11.635 -9.071 1.00 1.76 C ATOM 247 CE LYS A 18 -28.336 -12.159 -7.663 1.00 2.42 C ATOM 248 NZ LYS A 18 -29.442 -13.038 -7.205 1.00 2.96 N ATOM 0 H LYS A 18 -25.349 -9.086 -10.797 1.00 0.85 H new ATOM 0 HA LYS A 18 -25.488 -9.708 -8.063 1.00 0.92 H new ATOM 0 HB2 LYS A 18 -25.975 -11.209 -10.642 1.00 1.07 H new ATOM 0 HB3 LYS A 18 -26.112 -12.029 -9.100 1.00 1.07 H new ATOM 0 HG2 LYS A 18 -27.618 -9.761 -8.651 1.00 1.38 H new ATOM 0 HG3 LYS A 18 -27.913 -10.048 -10.355 1.00 1.38 H new ATOM 0 HD2 LYS A 18 -29.594 -11.263 -9.154 1.00 1.76 H new ATOM 0 HD3 LYS A 18 -28.472 -12.452 -9.786 1.00 1.76 H new ATOM 0 HE2 LYS A 18 -27.397 -12.712 -7.635 1.00 2.42 H new ATOM 0 HE3 LYS A 18 -28.232 -11.319 -6.976 1.00 2.42 H new ATOM 0 HZ1 LYS A 18 -29.242 -13.374 -6.241 1.00 2.96 H new ATOM 0 HZ2 LYS A 18 -30.334 -12.503 -7.207 1.00 2.96 H new ATOM 0 HZ3 LYS A 18 -29.526 -13.853 -7.845 1.00 2.96 H new ATOM 262 N LEU A 19 -23.086 -11.220 -9.742 1.00 0.82 N ATOM 263 CA LEU A 19 -21.868 -12.011 -9.607 1.00 0.84 C ATOM 264 C LEU A 19 -20.822 -11.284 -8.764 1.00 0.80 C ATOM 265 O LEU A 19 -20.349 -11.802 -7.750 1.00 0.82 O ATOM 266 CB LEU A 19 -21.283 -12.319 -10.989 1.00 0.96 C ATOM 267 CG LEU A 19 -21.914 -13.505 -11.720 1.00 1.16 C ATOM 268 CD1 LEU A 19 -22.068 -13.196 -13.201 1.00 1.73 C ATOM 269 CD2 LEU A 19 -21.076 -14.758 -11.525 1.00 1.81 C ATOM 0 H LEU A 19 -23.291 -10.926 -10.697 1.00 0.82 H new ATOM 0 HA LEU A 19 -22.132 -12.941 -9.103 1.00 0.84 H new ATOM 0 HB2 LEU A 19 -21.386 -11.432 -11.614 1.00 0.96 H new ATOM 0 HB3 LEU A 19 -20.215 -12.509 -10.879 1.00 0.96 H new ATOM 0 HG LEU A 19 -22.903 -13.682 -11.298 1.00 1.16 H new ATOM 0 HD11 LEU A 19 -22.518 -14.050 -13.706 1.00 1.73 H new ATOM 0 HD12 LEU A 19 -22.708 -12.322 -13.326 1.00 1.73 H new ATOM 0 HD13 LEU A 19 -21.088 -12.994 -13.634 1.00 1.73 H new ATOM 0 HD21 LEU A 19 -21.540 -15.592 -12.052 1.00 1.81 H new ATOM 0 HD22 LEU A 19 -20.074 -14.591 -11.921 1.00 1.81 H new ATOM 0 HD23 LEU A 19 -21.012 -14.991 -10.462 1.00 1.81 H new ATOM 281 N ALA A 20 -20.483 -10.077 -9.187 1.00 0.82 N ATOM 282 CA ALA A 20 -19.398 -9.323 -8.581 1.00 0.91 C ATOM 283 C ALA A 20 -19.717 -8.909 -7.154 1.00 0.84 C ATOM 284 O ALA A 20 -18.872 -9.032 -6.279 1.00 0.87 O ATOM 285 CB ALA A 20 -19.068 -8.100 -9.418 1.00 1.08 C ATOM 0 H ALA A 20 -20.949 -9.595 -9.955 1.00 0.82 H new ATOM 0 HA ALA A 20 -18.529 -9.980 -8.547 1.00 0.91 H new ATOM 0 HB1 ALA A 20 -18.254 -7.547 -8.949 1.00 1.08 H new ATOM 0 HB2 ALA A 20 -18.766 -8.414 -10.417 1.00 1.08 H new ATOM 0 HB3 ALA A 20 -19.947 -7.460 -9.489 1.00 1.08 H new ATOM 291 N GLU A 21 -20.931 -8.432 -6.919 1.00 0.85 N ATOM 292 CA GLU A 21 -21.304 -7.929 -5.600 1.00 0.94 C ATOM 293 C GLU A 21 -21.342 -9.054 -4.567 1.00 0.84 C ATOM 294 O GLU A 21 -20.949 -8.861 -3.413 1.00 0.85 O ATOM 295 CB GLU A 21 -22.655 -7.213 -5.658 1.00 1.13 C ATOM 296 CG GLU A 21 -22.546 -5.748 -6.057 1.00 1.72 C ATOM 297 CD GLU A 21 -23.627 -5.317 -7.029 1.00 2.05 C ATOM 298 OE1 GLU A 21 -24.823 -5.469 -6.699 1.00 2.14 O ATOM 299 OE2 GLU A 21 -23.288 -4.822 -8.125 1.00 2.69 O ATOM 0 H GLU A 21 -21.672 -8.382 -7.618 1.00 0.85 H new ATOM 0 HA GLU A 21 -20.542 -7.213 -5.290 1.00 0.94 H new ATOM 0 HB2 GLU A 21 -23.301 -7.728 -6.369 1.00 1.13 H new ATOM 0 HB3 GLU A 21 -23.136 -7.281 -4.682 1.00 1.13 H new ATOM 0 HG2 GLU A 21 -22.602 -5.128 -5.162 1.00 1.72 H new ATOM 0 HG3 GLU A 21 -21.569 -5.571 -6.507 1.00 1.72 H new ATOM 306 N ILE A 22 -21.798 -10.231 -4.979 1.00 0.83 N ATOM 307 CA ILE A 22 -21.878 -11.365 -4.070 1.00 0.91 C ATOM 308 C ILE A 22 -20.478 -11.889 -3.738 1.00 0.82 C ATOM 309 O ILE A 22 -20.146 -12.088 -2.569 1.00 0.86 O ATOM 310 CB ILE A 22 -22.782 -12.495 -4.640 1.00 1.09 C ATOM 311 CG1 ILE A 22 -24.159 -12.439 -3.976 1.00 1.25 C ATOM 312 CG2 ILE A 22 -22.167 -13.878 -4.448 1.00 1.40 C ATOM 313 CD1 ILE A 22 -25.290 -12.166 -4.943 1.00 1.91 C ATOM 0 H ILE A 22 -22.115 -10.423 -5.929 1.00 0.83 H new ATOM 0 HA ILE A 22 -22.341 -11.019 -3.146 1.00 0.91 H new ATOM 0 HB ILE A 22 -22.879 -12.329 -5.713 1.00 1.09 H new ATOM 0 HG12 ILE A 22 -24.347 -13.385 -3.469 1.00 1.25 H new ATOM 0 HG13 ILE A 22 -24.152 -11.663 -3.210 1.00 1.25 H new ATOM 0 HG21 ILE A 22 -22.835 -14.634 -4.862 1.00 1.40 H new ATOM 0 HG22 ILE A 22 -21.206 -13.923 -4.960 1.00 1.40 H new ATOM 0 HG23 ILE A 22 -22.020 -14.067 -3.384 1.00 1.40 H new ATOM 0 HD11 ILE A 22 -26.235 -12.141 -4.400 1.00 1.91 H new ATOM 0 HD12 ILE A 22 -25.127 -11.206 -5.432 1.00 1.91 H new ATOM 0 HD13 ILE A 22 -25.324 -12.955 -5.695 1.00 1.91 H new ATOM 325 N TRP A 23 -19.643 -12.066 -4.758 1.00 0.79 N ATOM 326 CA TRP A 23 -18.292 -12.573 -4.550 1.00 0.84 C ATOM 327 C TRP A 23 -17.437 -11.538 -3.829 1.00 0.82 C ATOM 328 O TRP A 23 -16.493 -11.882 -3.117 1.00 0.94 O ATOM 329 CB TRP A 23 -17.652 -12.963 -5.883 1.00 0.90 C ATOM 330 CG TRP A 23 -18.024 -14.344 -6.323 1.00 0.98 C ATOM 331 CD1 TRP A 23 -19.190 -14.723 -6.926 1.00 1.26 C ATOM 332 CD2 TRP A 23 -17.233 -15.533 -6.189 1.00 0.95 C ATOM 333 NE1 TRP A 23 -19.177 -16.073 -7.171 1.00 1.33 N ATOM 334 CE2 TRP A 23 -17.987 -16.594 -6.727 1.00 1.14 C ATOM 335 CE3 TRP A 23 -15.965 -15.809 -5.663 1.00 0.97 C ATOM 336 CZ2 TRP A 23 -17.512 -17.901 -6.759 1.00 1.24 C ATOM 337 CZ3 TRP A 23 -15.496 -17.109 -5.697 1.00 1.16 C ATOM 338 CH2 TRP A 23 -16.270 -18.142 -6.238 1.00 1.24 C ATOM 0 H TRP A 23 -19.877 -11.867 -5.731 1.00 0.79 H new ATOM 0 HA TRP A 23 -18.353 -13.464 -3.925 1.00 0.84 H new ATOM 0 HB2 TRP A 23 -17.955 -12.249 -6.649 1.00 0.90 H new ATOM 0 HB3 TRP A 23 -16.568 -12.895 -5.794 1.00 0.90 H new ATOM 0 HD1 TRP A 23 -20.003 -14.057 -7.174 1.00 1.26 H new ATOM 0 HE1 TRP A 23 -19.929 -16.603 -7.611 1.00 1.33 H new ATOM 0 HE3 TRP A 23 -15.363 -15.019 -5.238 1.00 0.97 H new ATOM 0 HZ2 TRP A 23 -18.104 -18.699 -7.181 1.00 1.24 H new ATOM 0 HZ3 TRP A 23 -14.517 -17.331 -5.300 1.00 1.16 H new ATOM 0 HH2 TRP A 23 -15.879 -19.149 -6.244 1.00 1.24 H new ATOM 349 N GLU A 24 -17.787 -10.272 -4.013 1.00 0.80 N ATOM 350 CA GLU A 24 -17.120 -9.173 -3.334 1.00 0.93 C ATOM 351 C GLU A 24 -17.226 -9.337 -1.825 1.00 0.90 C ATOM 352 O GLU A 24 -16.225 -9.312 -1.119 1.00 1.04 O ATOM 353 CB GLU A 24 -17.741 -7.837 -3.751 1.00 1.20 C ATOM 354 CG GLU A 24 -16.723 -6.755 -4.057 1.00 1.75 C ATOM 355 CD GLU A 24 -15.783 -6.508 -2.899 1.00 2.29 C ATOM 356 OE1 GLU A 24 -16.269 -6.189 -1.793 1.00 2.78 O ATOM 357 OE2 GLU A 24 -14.555 -6.638 -3.086 1.00 2.65 O ATOM 0 H GLU A 24 -18.540 -9.980 -4.636 1.00 0.80 H new ATOM 0 HA GLU A 24 -16.068 -9.183 -3.618 1.00 0.93 H new ATOM 0 HB2 GLU A 24 -18.363 -7.996 -4.632 1.00 1.20 H new ATOM 0 HB3 GLU A 24 -18.399 -7.489 -2.954 1.00 1.20 H new ATOM 0 HG2 GLU A 24 -16.146 -7.041 -4.936 1.00 1.75 H new ATOM 0 HG3 GLU A 24 -17.243 -5.829 -4.304 1.00 1.75 H new ATOM 364 N ARG A 25 -18.439 -9.532 -1.335 1.00 0.97 N ATOM 365 CA ARG A 25 -18.660 -9.633 0.099 1.00 1.16 C ATOM 366 C ARG A 25 -18.186 -10.978 0.641 1.00 1.21 C ATOM 367 O ARG A 25 -17.943 -11.123 1.839 1.00 1.50 O ATOM 368 CB ARG A 25 -20.135 -9.408 0.430 1.00 1.41 C ATOM 369 CG ARG A 25 -20.520 -7.936 0.467 1.00 1.99 C ATOM 370 CD ARG A 25 -19.595 -7.136 1.373 1.00 2.67 C ATOM 371 NE ARG A 25 -18.535 -6.453 0.625 1.00 3.12 N ATOM 372 CZ ARG A 25 -17.991 -5.294 0.996 1.00 3.67 C ATOM 373 NH1 ARG A 25 -18.397 -4.693 2.108 1.00 3.90 N ATOM 374 NH2 ARG A 25 -17.034 -4.744 0.255 1.00 4.40 N ATOM 0 H ARG A 25 -19.281 -9.623 -1.904 1.00 0.97 H new ATOM 0 HA ARG A 25 -18.072 -8.854 0.584 1.00 1.16 H new ATOM 0 HB2 ARG A 25 -20.750 -9.920 -0.310 1.00 1.41 H new ATOM 0 HB3 ARG A 25 -20.358 -9.860 1.396 1.00 1.41 H new ATOM 0 HG2 ARG A 25 -20.486 -7.525 -0.542 1.00 1.99 H new ATOM 0 HG3 ARG A 25 -21.548 -7.837 0.817 1.00 1.99 H new ATOM 0 HD2 ARG A 25 -20.179 -6.400 1.925 1.00 2.67 H new ATOM 0 HD3 ARG A 25 -19.145 -7.803 2.109 1.00 2.67 H new ATOM 0 HE ARG A 25 -18.193 -6.891 -0.231 1.00 3.12 H new ATOM 0 HH11 ARG A 25 -19.127 -5.118 2.680 1.00 3.90 H new ATOM 0 HH12 ARG A 25 -17.979 -3.806 2.390 1.00 3.90 H new ATOM 0 HH21 ARG A 25 -16.717 -5.209 -0.596 1.00 4.40 H new ATOM 0 HH22 ARG A 25 -16.617 -3.857 0.537 1.00 4.40 H new ATOM 388 N VAL A 26 -18.040 -11.954 -0.244 1.00 1.11 N ATOM 389 CA VAL A 26 -17.597 -13.280 0.159 1.00 1.34 C ATOM 390 C VAL A 26 -16.070 -13.367 0.211 1.00 1.36 C ATOM 391 O VAL A 26 -15.503 -13.825 1.205 1.00 1.78 O ATOM 392 CB VAL A 26 -18.153 -14.371 -0.788 1.00 1.54 C ATOM 393 CG1 VAL A 26 -17.484 -15.715 -0.534 1.00 2.01 C ATOM 394 CG2 VAL A 26 -19.662 -14.498 -0.635 1.00 1.66 C ATOM 0 H VAL A 26 -18.221 -11.853 -1.243 1.00 1.11 H new ATOM 0 HA VAL A 26 -17.989 -13.455 1.161 1.00 1.34 H new ATOM 0 HB VAL A 26 -17.929 -14.067 -1.810 1.00 1.54 H new ATOM 0 HG11 VAL A 26 -17.896 -16.461 -1.214 1.00 2.01 H new ATOM 0 HG12 VAL A 26 -16.411 -15.625 -0.701 1.00 2.01 H new ATOM 0 HG13 VAL A 26 -17.666 -16.023 0.495 1.00 2.01 H new ATOM 0 HG21 VAL A 26 -20.032 -15.270 -1.309 1.00 1.66 H new ATOM 0 HG22 VAL A 26 -19.902 -14.769 0.393 1.00 1.66 H new ATOM 0 HG23 VAL A 26 -20.134 -13.546 -0.879 1.00 1.66 H new ATOM 404 N LEU A 27 -15.407 -12.918 -0.849 1.00 1.20 N ATOM 405 CA LEU A 27 -13.958 -13.088 -0.966 1.00 1.40 C ATOM 406 C LEU A 27 -13.217 -11.756 -1.112 1.00 1.42 C ATOM 407 O LEU A 27 -12.081 -11.628 -0.658 1.00 1.89 O ATOM 408 CB LEU A 27 -13.643 -13.987 -2.169 1.00 1.51 C ATOM 409 CG LEU A 27 -12.902 -15.290 -1.849 1.00 2.02 C ATOM 410 CD1 LEU A 27 -11.603 -15.010 -1.108 1.00 2.17 C ATOM 411 CD2 LEU A 27 -13.789 -16.223 -1.039 1.00 2.85 C ATOM 0 H LEU A 27 -15.843 -12.437 -1.636 1.00 1.20 H new ATOM 0 HA LEU A 27 -13.610 -13.550 -0.042 1.00 1.40 H new ATOM 0 HB2 LEU A 27 -14.579 -14.236 -2.668 1.00 1.51 H new ATOM 0 HB3 LEU A 27 -13.045 -13.416 -2.879 1.00 1.51 H new ATOM 0 HG LEU A 27 -12.655 -15.779 -2.791 1.00 2.02 H new ATOM 0 HD11 LEU A 27 -11.097 -15.951 -0.893 1.00 2.17 H new ATOM 0 HD12 LEU A 27 -10.959 -14.385 -1.726 1.00 2.17 H new ATOM 0 HD13 LEU A 27 -11.821 -14.494 -0.173 1.00 2.17 H new ATOM 0 HD21 LEU A 27 -13.246 -17.143 -0.821 1.00 2.85 H new ATOM 0 HD22 LEU A 27 -14.070 -15.738 -0.104 1.00 2.85 H new ATOM 0 HD23 LEU A 27 -14.687 -16.458 -1.610 1.00 2.85 H new ATOM 423 N GLY A 28 -13.853 -10.776 -1.739 1.00 1.29 N ATOM 424 CA GLY A 28 -13.171 -9.527 -2.049 1.00 1.52 C ATOM 425 C GLY A 28 -12.978 -8.620 -0.844 1.00 1.37 C ATOM 426 O GLY A 28 -11.900 -8.602 -0.250 1.00 1.73 O ATOM 0 H GLY A 28 -14.827 -10.819 -2.040 1.00 1.29 H new ATOM 0 HA2 GLY A 28 -12.197 -9.753 -2.482 1.00 1.52 H new ATOM 0 HA3 GLY A 28 -13.741 -8.991 -2.808 1.00 1.52 H new ATOM 430 N VAL A 29 -14.027 -7.865 -0.506 1.00 1.31 N ATOM 431 CA VAL A 29 -14.011 -6.875 0.578 1.00 1.31 C ATOM 432 C VAL A 29 -13.229 -5.620 0.163 1.00 1.43 C ATOM 433 O VAL A 29 -13.093 -4.659 0.928 1.00 1.90 O ATOM 434 CB VAL A 29 -13.480 -7.477 1.916 1.00 1.49 C ATOM 435 CG1 VAL A 29 -12.070 -7.011 2.260 1.00 1.78 C ATOM 436 CG2 VAL A 29 -14.434 -7.148 3.054 1.00 1.92 C ATOM 0 H VAL A 29 -14.926 -7.924 -0.984 1.00 1.31 H new ATOM 0 HA VAL A 29 -15.043 -6.576 0.764 1.00 1.31 H new ATOM 0 HB VAL A 29 -13.429 -8.557 1.778 1.00 1.49 H new ATOM 0 HG11 VAL A 29 -11.757 -7.464 3.201 1.00 1.78 H new ATOM 0 HG12 VAL A 29 -11.384 -7.310 1.467 1.00 1.78 H new ATOM 0 HG13 VAL A 29 -12.059 -5.925 2.358 1.00 1.78 H new ATOM 0 HG21 VAL A 29 -14.053 -7.573 3.983 1.00 1.92 H new ATOM 0 HG22 VAL A 29 -14.517 -6.066 3.158 1.00 1.92 H new ATOM 0 HG23 VAL A 29 -15.416 -7.569 2.838 1.00 1.92 H new ATOM 446 N SER A 30 -12.790 -5.604 -1.085 1.00 1.40 N ATOM 447 CA SER A 30 -11.910 -4.556 -1.576 1.00 1.56 C ATOM 448 C SER A 30 -12.599 -3.671 -2.616 1.00 1.53 C ATOM 449 O SER A 30 -12.134 -2.570 -2.906 1.00 2.21 O ATOM 450 CB SER A 30 -10.659 -5.191 -2.184 1.00 1.76 C ATOM 451 OG SER A 30 -10.063 -6.115 -1.286 1.00 1.94 O ATOM 0 H SER A 30 -13.031 -6.310 -1.781 1.00 1.40 H new ATOM 0 HA SER A 30 -11.639 -3.921 -0.733 1.00 1.56 H new ATOM 0 HB2 SER A 30 -10.921 -5.699 -3.112 1.00 1.76 H new ATOM 0 HB3 SER A 30 -9.940 -4.412 -2.439 1.00 1.76 H new ATOM 0 HG SER A 30 -9.266 -6.507 -1.701 1.00 1.94 H new ATOM 457 N GLY A 31 -13.701 -4.153 -3.170 1.00 1.30 N ATOM 458 CA GLY A 31 -14.366 -3.443 -4.247 1.00 1.27 C ATOM 459 C GLY A 31 -13.818 -3.875 -5.589 1.00 1.21 C ATOM 460 O GLY A 31 -13.715 -3.079 -6.525 1.00 1.58 O ATOM 0 H GLY A 31 -14.150 -5.026 -2.893 1.00 1.30 H new ATOM 0 HA2 GLY A 31 -15.438 -3.634 -4.208 1.00 1.27 H new ATOM 0 HA3 GLY A 31 -14.229 -2.369 -4.121 1.00 1.27 H new ATOM 464 N ILE A 32 -13.468 -5.153 -5.673 1.00 1.13 N ATOM 465 CA ILE A 32 -12.791 -5.697 -6.843 1.00 1.29 C ATOM 466 C ILE A 32 -13.757 -5.965 -7.991 1.00 1.38 C ATOM 467 O ILE A 32 -14.975 -5.893 -7.831 1.00 2.01 O ATOM 468 CB ILE A 32 -12.040 -7.002 -6.501 1.00 1.71 C ATOM 469 CG1 ILE A 32 -12.968 -7.992 -5.791 1.00 2.68 C ATOM 470 CG2 ILE A 32 -10.826 -6.697 -5.638 1.00 2.03 C ATOM 471 CD1 ILE A 32 -12.885 -9.401 -6.338 1.00 3.56 C ATOM 0 H ILE A 32 -13.644 -5.837 -4.937 1.00 1.13 H new ATOM 0 HA ILE A 32 -12.075 -4.939 -7.160 1.00 1.29 H new ATOM 0 HB ILE A 32 -11.703 -7.460 -7.431 1.00 1.71 H new ATOM 0 HG12 ILE A 32 -12.723 -8.009 -4.729 1.00 2.68 H new ATOM 0 HG13 ILE A 32 -13.996 -7.638 -5.876 1.00 2.68 H new ATOM 0 HG21 ILE A 32 -10.304 -7.625 -5.403 1.00 2.03 H new ATOM 0 HG22 ILE A 32 -10.154 -6.030 -6.178 1.00 2.03 H new ATOM 0 HG23 ILE A 32 -11.148 -6.218 -4.713 1.00 2.03 H new ATOM 0 HD11 ILE A 32 -13.569 -10.046 -5.787 1.00 3.56 H new ATOM 0 HD12 ILE A 32 -13.159 -9.398 -7.393 1.00 3.56 H new ATOM 0 HD13 ILE A 32 -11.867 -9.774 -6.228 1.00 3.56 H new ATOM 483 N GLY A 33 -13.194 -6.274 -9.151 1.00 1.59 N ATOM 484 CA GLY A 33 -13.996 -6.543 -10.325 1.00 1.93 C ATOM 485 C GLY A 33 -13.282 -6.132 -11.594 1.00 1.81 C ATOM 486 O GLY A 33 -12.366 -5.308 -11.546 1.00 2.28 O ATOM 0 H GLY A 33 -12.187 -6.343 -9.299 1.00 1.59 H new ATOM 0 HA2 GLY A 33 -14.233 -7.606 -10.368 1.00 1.93 H new ATOM 0 HA3 GLY A 33 -14.943 -6.008 -10.250 1.00 1.93 H new ATOM 490 N ILE A 34 -13.690 -6.716 -12.722 1.00 1.73 N ATOM 491 CA ILE A 34 -13.109 -6.413 -14.034 1.00 1.78 C ATOM 492 C ILE A 34 -11.651 -6.869 -14.114 1.00 1.93 C ATOM 493 O ILE A 34 -11.358 -7.927 -14.666 1.00 2.58 O ATOM 494 CB ILE A 34 -13.204 -4.909 -14.388 1.00 1.94 C ATOM 495 CG1 ILE A 34 -14.642 -4.401 -14.215 1.00 2.07 C ATOM 496 CG2 ILE A 34 -12.720 -4.663 -15.815 1.00 2.43 C ATOM 497 CD1 ILE A 34 -15.650 -5.086 -15.114 1.00 2.67 C ATOM 0 H ILE A 34 -14.434 -7.414 -12.753 1.00 1.73 H new ATOM 0 HA ILE A 34 -13.698 -6.968 -14.764 1.00 1.78 H new ATOM 0 HB ILE A 34 -12.560 -4.356 -13.704 1.00 1.94 H new ATOM 0 HG12 ILE A 34 -14.943 -4.540 -13.177 1.00 2.07 H new ATOM 0 HG13 ILE A 34 -14.664 -3.329 -14.412 1.00 2.07 H new ATOM 0 HG21 ILE A 34 -12.794 -3.600 -16.046 1.00 2.43 H new ATOM 0 HG22 ILE A 34 -11.682 -4.983 -15.907 1.00 2.43 H new ATOM 0 HG23 ILE A 34 -13.338 -5.230 -16.512 1.00 2.43 H new ATOM 0 HD11 ILE A 34 -16.641 -4.671 -14.931 1.00 2.67 H new ATOM 0 HD12 ILE A 34 -15.376 -4.925 -16.157 1.00 2.67 H new ATOM 0 HD13 ILE A 34 -15.659 -6.155 -14.902 1.00 2.67 H new ATOM 509 N LEU A 35 -10.743 -6.073 -13.554 1.00 1.70 N ATOM 510 CA LEU A 35 -9.326 -6.411 -13.564 1.00 1.89 C ATOM 511 C LEU A 35 -9.057 -7.559 -12.594 1.00 1.85 C ATOM 512 O LEU A 35 -8.158 -8.366 -12.825 1.00 2.19 O ATOM 513 CB LEU A 35 -8.468 -5.186 -13.213 1.00 2.03 C ATOM 514 CG LEU A 35 -8.729 -4.568 -11.837 1.00 1.96 C ATOM 515 CD1 LEU A 35 -7.417 -4.248 -11.138 1.00 2.44 C ATOM 516 CD2 LEU A 35 -9.582 -3.315 -11.969 1.00 2.46 C ATOM 0 H LEU A 35 -10.964 -5.192 -13.089 1.00 1.70 H new ATOM 0 HA LEU A 35 -9.051 -6.731 -14.569 1.00 1.89 H new ATOM 0 HB2 LEU A 35 -7.418 -5.472 -13.270 1.00 2.03 H new ATOM 0 HB3 LEU A 35 -8.631 -4.421 -13.972 1.00 2.03 H new ATOM 0 HG LEU A 35 -9.273 -5.293 -11.232 1.00 1.96 H new ATOM 0 HD11 LEU A 35 -7.623 -3.809 -10.161 1.00 2.44 H new ATOM 0 HD12 LEU A 35 -6.840 -5.164 -11.010 1.00 2.44 H new ATOM 0 HD13 LEU A 35 -6.847 -3.541 -11.740 1.00 2.44 H new ATOM 0 HD21 LEU A 35 -9.758 -2.889 -10.981 1.00 2.46 H new ATOM 0 HD22 LEU A 35 -9.064 -2.586 -12.592 1.00 2.46 H new ATOM 0 HD23 LEU A 35 -10.537 -3.571 -12.429 1.00 2.46 H new ATOM 528 N ASP A 36 -9.854 -7.600 -11.512 1.00 1.95 N ATOM 529 CA ASP A 36 -9.862 -8.702 -10.531 1.00 2.14 C ATOM 530 C ASP A 36 -8.459 -9.198 -10.182 1.00 1.49 C ATOM 531 O ASP A 36 -7.831 -8.677 -9.255 1.00 1.80 O ATOM 532 CB ASP A 36 -10.711 -9.859 -11.058 1.00 3.20 C ATOM 533 CG ASP A 36 -11.123 -10.837 -9.976 1.00 3.75 C ATOM 534 OD1 ASP A 36 -10.292 -11.161 -9.103 1.00 4.01 O ATOM 535 OD2 ASP A 36 -12.276 -11.307 -10.016 1.00 4.20 O ATOM 0 H ASP A 36 -10.520 -6.860 -11.290 1.00 1.95 H new ATOM 0 HA ASP A 36 -10.295 -8.308 -9.611 1.00 2.14 H new ATOM 0 HB2 ASP A 36 -11.605 -9.457 -11.536 1.00 3.20 H new ATOM 0 HB3 ASP A 36 -10.151 -10.392 -11.827 1.00 3.20 H new ATOM 540 N ASN A 37 -8.017 -10.228 -10.921 1.00 1.38 N ATOM 541 CA ASN A 37 -6.671 -10.809 -10.823 1.00 1.74 C ATOM 542 C ASN A 37 -6.631 -11.982 -9.849 1.00 1.40 C ATOM 543 O ASN A 37 -5.620 -12.678 -9.756 1.00 1.90 O ATOM 544 CB ASN A 37 -5.607 -9.768 -10.455 1.00 2.65 C ATOM 545 CG ASN A 37 -4.643 -9.505 -11.595 1.00 3.55 C ATOM 546 OD1 ASN A 37 -3.443 -9.729 -11.471 1.00 4.12 O ATOM 547 ND2 ASN A 37 -5.165 -9.025 -12.714 1.00 4.13 N ATOM 0 H ASN A 37 -8.600 -10.690 -11.619 1.00 1.38 H new ATOM 0 HA ASN A 37 -6.431 -11.183 -11.818 1.00 1.74 H new ATOM 0 HB2 ASN A 37 -6.096 -8.836 -10.173 1.00 2.65 H new ATOM 0 HB3 ASN A 37 -5.051 -10.113 -9.583 1.00 2.65 H new ATOM 0 HD21 ASN A 37 -4.563 -8.828 -13.514 1.00 4.13 H new ATOM 0 HD22 ASN A 37 -6.168 -8.853 -12.776 1.00 4.13 H new ATOM 554 N PHE A 38 -7.723 -12.216 -9.133 1.00 1.23 N ATOM 555 CA PHE A 38 -7.819 -13.393 -8.276 1.00 1.41 C ATOM 556 C PHE A 38 -8.819 -14.375 -8.870 1.00 1.51 C ATOM 557 O PHE A 38 -8.492 -15.536 -9.133 1.00 2.27 O ATOM 558 CB PHE A 38 -8.249 -13.046 -6.841 1.00 1.89 C ATOM 559 CG PHE A 38 -7.962 -11.638 -6.398 1.00 1.43 C ATOM 560 CD1 PHE A 38 -6.676 -11.121 -6.430 1.00 1.62 C ATOM 561 CD2 PHE A 38 -8.990 -10.840 -5.924 1.00 1.78 C ATOM 562 CE1 PHE A 38 -6.425 -9.830 -6.004 1.00 2.03 C ATOM 563 CE2 PHE A 38 -8.746 -9.554 -5.494 1.00 1.88 C ATOM 564 CZ PHE A 38 -7.462 -9.045 -5.535 1.00 1.97 C ATOM 0 H PHE A 38 -8.547 -11.615 -9.127 1.00 1.23 H new ATOM 0 HA PHE A 38 -6.824 -13.835 -8.225 1.00 1.41 H new ATOM 0 HB2 PHE A 38 -9.320 -13.225 -6.749 1.00 1.89 H new ATOM 0 HB3 PHE A 38 -7.751 -13.732 -6.156 1.00 1.89 H new ATOM 0 HD1 PHE A 38 -5.862 -11.733 -6.791 1.00 1.62 H new ATOM 0 HD2 PHE A 38 -9.996 -11.231 -5.891 1.00 1.78 H new ATOM 0 HE1 PHE A 38 -5.420 -9.435 -6.038 1.00 2.03 H new ATOM 0 HE2 PHE A 38 -9.558 -8.944 -5.125 1.00 1.88 H new ATOM 0 HZ PHE A 38 -7.269 -8.036 -5.201 1.00 1.97 H new ATOM 574 N PHE A 39 -10.028 -13.886 -9.097 1.00 1.24 N ATOM 575 CA PHE A 39 -11.108 -14.696 -9.633 1.00 1.51 C ATOM 576 C PHE A 39 -11.127 -14.595 -11.156 1.00 1.25 C ATOM 577 O PHE A 39 -10.737 -15.533 -11.858 1.00 1.22 O ATOM 578 CB PHE A 39 -12.439 -14.223 -9.037 1.00 2.01 C ATOM 579 CG PHE A 39 -13.603 -15.137 -9.295 1.00 1.77 C ATOM 580 CD1 PHE A 39 -13.582 -16.449 -8.855 1.00 1.63 C ATOM 581 CD2 PHE A 39 -14.725 -14.674 -9.964 1.00 1.94 C ATOM 582 CE1 PHE A 39 -14.659 -17.285 -9.083 1.00 1.63 C ATOM 583 CE2 PHE A 39 -15.804 -15.504 -10.193 1.00 1.93 C ATOM 584 CZ PHE A 39 -15.771 -16.811 -9.751 1.00 1.75 C ATOM 0 H PHE A 39 -10.287 -12.916 -8.915 1.00 1.24 H new ATOM 0 HA PHE A 39 -10.954 -15.741 -9.364 1.00 1.51 H new ATOM 0 HB2 PHE A 39 -12.318 -14.106 -7.960 1.00 2.01 H new ATOM 0 HB3 PHE A 39 -12.672 -13.238 -9.440 1.00 2.01 H new ATOM 0 HD1 PHE A 39 -12.716 -16.823 -8.329 1.00 1.63 H new ATOM 0 HD2 PHE A 39 -14.756 -13.651 -10.310 1.00 1.94 H new ATOM 0 HE1 PHE A 39 -14.631 -18.308 -8.739 1.00 1.63 H new ATOM 0 HE2 PHE A 39 -16.672 -15.131 -10.717 1.00 1.93 H new ATOM 0 HZ PHE A 39 -16.614 -17.463 -9.927 1.00 1.75 H new ATOM 594 N GLN A 40 -11.568 -13.446 -11.657 1.00 1.25 N ATOM 595 CA GLN A 40 -11.571 -13.181 -13.091 1.00 1.25 C ATOM 596 C GLN A 40 -10.140 -13.003 -13.591 1.00 1.28 C ATOM 597 O GLN A 40 -9.567 -11.917 -13.493 1.00 1.93 O ATOM 598 CB GLN A 40 -12.398 -11.934 -13.417 1.00 1.46 C ATOM 599 CG GLN A 40 -13.874 -12.064 -13.073 1.00 1.85 C ATOM 600 CD GLN A 40 -14.508 -10.736 -12.694 1.00 1.75 C ATOM 601 OE1 GLN A 40 -15.235 -10.131 -13.484 1.00 2.39 O ATOM 602 NE2 GLN A 40 -14.235 -10.269 -11.488 1.00 1.80 N ATOM 0 H GLN A 40 -11.929 -12.680 -11.088 1.00 1.25 H new ATOM 0 HA GLN A 40 -12.026 -14.034 -13.595 1.00 1.25 H new ATOM 0 HB2 GLN A 40 -11.983 -11.084 -12.876 1.00 1.46 H new ATOM 0 HB3 GLN A 40 -12.301 -11.714 -14.480 1.00 1.46 H new ATOM 0 HG2 GLN A 40 -14.406 -12.485 -13.926 1.00 1.85 H new ATOM 0 HG3 GLN A 40 -13.990 -12.766 -12.247 1.00 1.85 H new ATOM 0 HE21 GLN A 40 -13.629 -10.798 -10.861 1.00 1.80 H new ATOM 0 HE22 GLN A 40 -14.631 -9.379 -11.184 1.00 1.80 H new ATOM 611 N ILE A 41 -9.582 -14.086 -14.121 1.00 1.12 N ATOM 612 CA ILE A 41 -8.195 -14.124 -14.579 1.00 1.27 C ATOM 613 C ILE A 41 -7.779 -15.566 -14.870 1.00 1.35 C ATOM 614 O ILE A 41 -6.801 -15.817 -15.576 1.00 1.77 O ATOM 615 CB ILE A 41 -7.223 -13.505 -13.539 1.00 1.70 C ATOM 616 CG1 ILE A 41 -5.951 -13.008 -14.229 1.00 2.36 C ATOM 617 CG2 ILE A 41 -6.880 -14.499 -12.436 1.00 2.27 C ATOM 618 CD1 ILE A 41 -6.062 -11.595 -14.755 1.00 3.23 C ATOM 0 H ILE A 41 -10.080 -14.967 -14.246 1.00 1.12 H new ATOM 0 HA ILE A 41 -8.136 -13.528 -15.490 1.00 1.27 H new ATOM 0 HB ILE A 41 -7.726 -12.656 -13.075 1.00 1.70 H new ATOM 0 HG12 ILE A 41 -5.121 -13.061 -13.524 1.00 2.36 H new ATOM 0 HG13 ILE A 41 -5.711 -13.677 -15.055 1.00 2.36 H new ATOM 0 HG21 ILE A 41 -6.198 -14.033 -11.725 1.00 2.27 H new ATOM 0 HG22 ILE A 41 -7.792 -14.799 -11.920 1.00 2.27 H new ATOM 0 HG23 ILE A 41 -6.405 -15.377 -12.873 1.00 2.27 H new ATOM 0 HD11 ILE A 41 -5.124 -11.309 -15.231 1.00 3.23 H new ATOM 0 HD12 ILE A 41 -6.870 -11.541 -15.484 1.00 3.23 H new ATOM 0 HD13 ILE A 41 -6.272 -10.915 -13.929 1.00 3.23 H new ATOM 630 N GLY A 42 -8.537 -16.509 -14.324 1.00 1.60 N ATOM 631 CA GLY A 42 -8.195 -17.907 -14.470 1.00 1.96 C ATOM 632 C GLY A 42 -7.583 -18.461 -13.203 1.00 1.64 C ATOM 633 O GLY A 42 -6.675 -19.291 -13.251 1.00 2.06 O ATOM 0 H GLY A 42 -9.382 -16.328 -13.783 1.00 1.60 H new ATOM 0 HA2 GLY A 42 -9.089 -18.477 -14.724 1.00 1.96 H new ATOM 0 HA3 GLY A 42 -7.495 -18.027 -15.297 1.00 1.96 H new ATOM 637 N GLY A 43 -8.071 -17.984 -12.066 1.00 1.60 N ATOM 638 CA GLY A 43 -7.576 -18.461 -10.792 1.00 1.92 C ATOM 639 C GLY A 43 -8.394 -19.619 -10.272 1.00 1.62 C ATOM 640 O GLY A 43 -9.612 -19.515 -10.141 1.00 2.17 O ATOM 0 H GLY A 43 -8.801 -17.275 -12.004 1.00 1.60 H new ATOM 0 HA2 GLY A 43 -6.536 -18.769 -10.898 1.00 1.92 H new ATOM 0 HA3 GLY A 43 -7.595 -17.648 -10.067 1.00 1.92 H new ATOM 644 N HIS A 44 -7.732 -20.726 -9.984 1.00 1.25 N ATOM 645 CA HIS A 44 -8.416 -21.924 -9.526 1.00 1.22 C ATOM 646 C HIS A 44 -8.643 -21.868 -8.018 1.00 1.13 C ATOM 647 O HIS A 44 -7.954 -22.539 -7.249 1.00 1.36 O ATOM 648 CB HIS A 44 -7.613 -23.171 -9.906 1.00 1.54 C ATOM 649 CG HIS A 44 -8.381 -24.448 -9.760 1.00 1.39 C ATOM 650 ND1 HIS A 44 -9.481 -24.761 -10.531 1.00 1.94 N ATOM 651 CD2 HIS A 44 -8.204 -25.497 -8.923 1.00 1.92 C ATOM 652 CE1 HIS A 44 -9.949 -25.940 -10.168 1.00 2.26 C ATOM 653 NE2 HIS A 44 -9.191 -26.408 -9.197 1.00 2.26 N ATOM 0 H HIS A 44 -6.719 -20.821 -10.059 1.00 1.25 H new ATOM 0 HA HIS A 44 -9.389 -21.977 -10.015 1.00 1.22 H new ATOM 0 HB2 HIS A 44 -7.277 -23.075 -10.938 1.00 1.54 H new ATOM 0 HB3 HIS A 44 -6.720 -23.221 -9.283 1.00 1.54 H new ATOM 0 HD2 HIS A 44 -7.429 -25.598 -8.178 1.00 1.92 H new ATOM 0 HE1 HIS A 44 -10.808 -26.437 -10.594 1.00 2.26 H new ATOM 0 HE2 HIS A 44 -9.318 -27.303 -8.725 1.00 2.26 H new ATOM 662 N SER A 45 -9.601 -21.055 -7.609 1.00 1.01 N ATOM 663 CA SER A 45 -9.936 -20.901 -6.202 1.00 1.10 C ATOM 664 C SER A 45 -10.661 -22.140 -5.677 1.00 1.13 C ATOM 665 O SER A 45 -11.182 -22.943 -6.452 1.00 1.31 O ATOM 666 CB SER A 45 -10.809 -19.661 -6.028 1.00 1.19 C ATOM 667 OG SER A 45 -11.101 -19.072 -7.287 1.00 1.19 O ATOM 0 H SER A 45 -10.167 -20.485 -8.238 1.00 1.01 H new ATOM 0 HA SER A 45 -9.017 -20.784 -5.628 1.00 1.10 H new ATOM 0 HB2 SER A 45 -11.737 -19.931 -5.523 1.00 1.19 H new ATOM 0 HB3 SER A 45 -10.299 -18.937 -5.392 1.00 1.19 H new ATOM 0 HG SER A 45 -11.663 -18.280 -7.155 1.00 1.19 H new ATOM 673 N LEU A 46 -10.686 -22.301 -4.362 1.00 1.21 N ATOM 674 CA LEU A 46 -11.371 -23.428 -3.749 1.00 1.32 C ATOM 675 C LEU A 46 -12.823 -23.073 -3.446 1.00 1.35 C ATOM 676 O LEU A 46 -13.221 -22.963 -2.284 1.00 1.77 O ATOM 677 CB LEU A 46 -10.650 -23.858 -2.472 1.00 1.50 C ATOM 678 CG LEU A 46 -9.775 -25.103 -2.619 1.00 1.83 C ATOM 679 CD1 LEU A 46 -8.335 -24.789 -2.245 1.00 2.37 C ATOM 680 CD2 LEU A 46 -10.318 -26.237 -1.764 1.00 2.35 C ATOM 0 H LEU A 46 -10.240 -21.666 -3.700 1.00 1.21 H new ATOM 0 HA LEU A 46 -11.360 -24.261 -4.452 1.00 1.32 H new ATOM 0 HB2 LEU A 46 -10.028 -23.032 -2.127 1.00 1.50 H new ATOM 0 HB3 LEU A 46 -11.393 -24.043 -1.696 1.00 1.50 H new ATOM 0 HG LEU A 46 -9.795 -25.420 -3.662 1.00 1.83 H new ATOM 0 HD11 LEU A 46 -7.726 -25.687 -2.355 1.00 2.37 H new ATOM 0 HD12 LEU A 46 -7.951 -24.007 -2.900 1.00 2.37 H new ATOM 0 HD13 LEU A 46 -8.294 -24.448 -1.211 1.00 2.37 H new ATOM 0 HD21 LEU A 46 -9.684 -27.116 -1.880 1.00 2.35 H new ATOM 0 HD22 LEU A 46 -10.327 -25.932 -0.718 1.00 2.35 H new ATOM 0 HD23 LEU A 46 -11.333 -26.478 -2.081 1.00 2.35 H new ATOM 692 N LYS A 47 -13.601 -22.882 -4.502 1.00 1.23 N ATOM 693 CA LYS A 47 -15.016 -22.561 -4.379 1.00 1.28 C ATOM 694 C LYS A 47 -15.811 -23.325 -5.431 1.00 1.27 C ATOM 695 O LYS A 47 -15.247 -23.763 -6.437 1.00 1.27 O ATOM 696 CB LYS A 47 -15.246 -21.053 -4.533 1.00 1.30 C ATOM 697 CG LYS A 47 -14.959 -20.257 -3.267 1.00 1.49 C ATOM 698 CD LYS A 47 -16.115 -20.340 -2.279 1.00 1.72 C ATOM 699 CE LYS A 47 -15.674 -20.926 -0.945 1.00 1.61 C ATOM 700 NZ LYS A 47 -16.654 -21.909 -0.410 1.00 2.27 N ATOM 0 H LYS A 47 -13.271 -22.945 -5.465 1.00 1.23 H new ATOM 0 HA LYS A 47 -15.356 -22.858 -3.387 1.00 1.28 H new ATOM 0 HB2 LYS A 47 -14.614 -20.678 -5.338 1.00 1.30 H new ATOM 0 HB3 LYS A 47 -16.280 -20.881 -4.833 1.00 1.30 H new ATOM 0 HG2 LYS A 47 -14.050 -20.634 -2.797 1.00 1.49 H new ATOM 0 HG3 LYS A 47 -14.775 -19.214 -3.526 1.00 1.49 H new ATOM 0 HD2 LYS A 47 -16.530 -19.345 -2.120 1.00 1.72 H new ATOM 0 HD3 LYS A 47 -16.911 -20.954 -2.701 1.00 1.72 H new ATOM 0 HE2 LYS A 47 -14.705 -21.411 -1.066 1.00 1.61 H new ATOM 0 HE3 LYS A 47 -15.539 -20.120 -0.223 1.00 1.61 H new ATOM 0 HZ1 LYS A 47 -16.312 -22.281 0.499 1.00 2.27 H new ATOM 0 HZ2 LYS A 47 -17.572 -21.442 -0.269 1.00 2.27 H new ATOM 0 HZ3 LYS A 47 -16.764 -22.692 -1.085 1.00 2.27 H new ATOM 714 N ALA A 48 -17.113 -23.464 -5.202 1.00 1.33 N ATOM 715 CA ALA A 48 -17.975 -24.266 -6.070 1.00 1.38 C ATOM 716 C ALA A 48 -17.951 -23.777 -7.516 1.00 1.18 C ATOM 717 O ALA A 48 -17.897 -24.582 -8.447 1.00 1.05 O ATOM 718 CB ALA A 48 -19.401 -24.267 -5.539 1.00 1.64 C ATOM 0 H ALA A 48 -17.599 -23.029 -4.418 1.00 1.33 H new ATOM 0 HA ALA A 48 -17.585 -25.284 -6.064 1.00 1.38 H new ATOM 0 HB1 ALA A 48 -20.033 -24.867 -6.194 1.00 1.64 H new ATOM 0 HB2 ALA A 48 -19.415 -24.689 -4.534 1.00 1.64 H new ATOM 0 HB3 ALA A 48 -19.778 -23.245 -5.508 1.00 1.64 H new ATOM 724 N MET A 49 -17.985 -22.461 -7.702 1.00 1.20 N ATOM 725 CA MET A 49 -17.975 -21.877 -9.044 1.00 1.09 C ATOM 726 C MET A 49 -16.706 -22.255 -9.804 1.00 0.94 C ATOM 727 O MET A 49 -16.726 -22.413 -11.024 1.00 0.85 O ATOM 728 CB MET A 49 -18.104 -20.355 -8.965 1.00 1.22 C ATOM 729 CG MET A 49 -18.385 -19.692 -10.304 1.00 1.35 C ATOM 730 SD MET A 49 -20.116 -19.211 -10.489 1.00 1.95 S ATOM 731 CE MET A 49 -20.211 -18.976 -12.263 1.00 2.58 C ATOM 0 H MET A 49 -18.020 -21.779 -6.945 1.00 1.20 H new ATOM 0 HA MET A 49 -18.830 -22.279 -9.588 1.00 1.09 H new ATOM 0 HB2 MET A 49 -18.905 -20.103 -8.270 1.00 1.22 H new ATOM 0 HB3 MET A 49 -17.183 -19.943 -8.552 1.00 1.22 H new ATOM 0 HG2 MET A 49 -17.753 -18.810 -10.409 1.00 1.35 H new ATOM 0 HG3 MET A 49 -18.113 -20.376 -11.108 1.00 1.35 H new ATOM 0 HE1 MET A 49 -21.213 -18.641 -12.533 1.00 2.58 H new ATOM 0 HE2 MET A 49 -19.482 -18.226 -12.570 1.00 2.58 H new ATOM 0 HE3 MET A 49 -19.996 -19.918 -12.767 1.00 2.58 H new ATOM 741 N ALA A 50 -15.612 -22.426 -9.077 1.00 0.96 N ATOM 742 CA ALA A 50 -14.335 -22.754 -9.691 1.00 0.90 C ATOM 743 C ALA A 50 -14.325 -24.187 -10.210 1.00 0.84 C ATOM 744 O ALA A 50 -13.745 -24.472 -11.258 1.00 0.80 O ATOM 745 CB ALA A 50 -13.202 -22.539 -8.706 1.00 1.06 C ATOM 0 H ALA A 50 -15.583 -22.343 -8.061 1.00 0.96 H new ATOM 0 HA ALA A 50 -14.190 -22.088 -10.541 1.00 0.90 H new ATOM 0 HB1 ALA A 50 -12.254 -22.789 -9.182 1.00 1.06 H new ATOM 0 HB2 ALA A 50 -13.186 -21.495 -8.392 1.00 1.06 H new ATOM 0 HB3 ALA A 50 -13.351 -23.178 -7.835 1.00 1.06 H new ATOM 751 N VAL A 51 -14.967 -25.089 -9.475 1.00 0.90 N ATOM 752 CA VAL A 51 -15.073 -26.480 -9.904 1.00 0.92 C ATOM 753 C VAL A 51 -16.109 -26.607 -11.014 1.00 0.84 C ATOM 754 O VAL A 51 -16.013 -27.486 -11.872 1.00 0.85 O ATOM 755 CB VAL A 51 -15.441 -27.440 -8.749 1.00 1.07 C ATOM 756 CG1 VAL A 51 -14.444 -28.586 -8.680 1.00 1.17 C ATOM 757 CG2 VAL A 51 -15.501 -26.711 -7.416 1.00 1.46 C ATOM 0 H VAL A 51 -15.420 -24.884 -8.584 1.00 0.90 H new ATOM 0 HA VAL A 51 -14.087 -26.770 -10.268 1.00 0.92 H new ATOM 0 HB VAL A 51 -16.433 -27.843 -8.952 1.00 1.07 H new ATOM 0 HG11 VAL A 51 -14.714 -29.255 -7.863 1.00 1.17 H new ATOM 0 HG12 VAL A 51 -14.458 -29.138 -9.620 1.00 1.17 H new ATOM 0 HG13 VAL A 51 -13.444 -28.188 -8.508 1.00 1.17 H new ATOM 0 HG21 VAL A 51 -15.762 -27.416 -6.627 1.00 1.46 H new ATOM 0 HG22 VAL A 51 -14.529 -26.268 -7.199 1.00 1.46 H new ATOM 0 HG23 VAL A 51 -16.255 -25.925 -7.465 1.00 1.46 H new ATOM 767 N ALA A 52 -17.096 -25.715 -10.998 1.00 0.84 N ATOM 768 CA ALA A 52 -18.093 -25.659 -12.058 1.00 0.85 C ATOM 769 C ALA A 52 -17.441 -25.244 -13.370 1.00 0.77 C ATOM 770 O ALA A 52 -17.817 -25.713 -14.444 1.00 0.83 O ATOM 771 CB ALA A 52 -19.216 -24.698 -11.692 1.00 0.97 C ATOM 0 H ALA A 52 -17.225 -25.022 -10.261 1.00 0.84 H new ATOM 0 HA ALA A 52 -18.524 -26.653 -12.180 1.00 0.85 H new ATOM 0 HB1 ALA A 52 -19.949 -24.672 -12.498 1.00 0.97 H new ATOM 0 HB2 ALA A 52 -19.698 -25.034 -10.774 1.00 0.97 H new ATOM 0 HB3 ALA A 52 -18.806 -23.699 -11.542 1.00 0.97 H new ATOM 777 N ALA A 53 -16.450 -24.369 -13.273 1.00 0.72 N ATOM 778 CA ALA A 53 -15.688 -23.945 -14.438 1.00 0.74 C ATOM 779 C ALA A 53 -14.815 -25.084 -14.954 1.00 0.73 C ATOM 780 O ALA A 53 -14.485 -25.148 -16.137 1.00 0.93 O ATOM 781 CB ALA A 53 -14.835 -22.734 -14.094 1.00 0.82 C ATOM 0 H ALA A 53 -16.155 -23.938 -12.397 1.00 0.72 H new ATOM 0 HA ALA A 53 -16.387 -23.668 -15.227 1.00 0.74 H new ATOM 0 HB1 ALA A 53 -14.269 -22.426 -14.973 1.00 0.82 H new ATOM 0 HB2 ALA A 53 -15.478 -21.916 -13.771 1.00 0.82 H new ATOM 0 HB3 ALA A 53 -14.145 -22.991 -13.291 1.00 0.82 H new ATOM 787 N GLN A 54 -14.452 -25.987 -14.054 1.00 0.71 N ATOM 788 CA GLN A 54 -13.625 -27.131 -14.405 1.00 0.83 C ATOM 789 C GLN A 54 -14.461 -28.226 -15.062 1.00 0.88 C ATOM 790 O GLN A 54 -13.938 -29.064 -15.793 1.00 1.07 O ATOM 791 CB GLN A 54 -12.938 -27.686 -13.156 1.00 0.99 C ATOM 792 CG GLN A 54 -11.664 -28.459 -13.450 1.00 1.27 C ATOM 793 CD GLN A 54 -10.436 -27.577 -13.433 1.00 1.30 C ATOM 794 OE1 GLN A 54 -10.426 -26.495 -14.015 1.00 1.76 O ATOM 795 NE2 GLN A 54 -9.395 -28.030 -12.759 1.00 1.86 N ATOM 0 H GLN A 54 -14.719 -25.948 -13.070 1.00 0.71 H new ATOM 0 HA GLN A 54 -12.869 -26.798 -15.116 1.00 0.83 H new ATOM 0 HB2 GLN A 54 -12.704 -26.860 -12.484 1.00 0.99 H new ATOM 0 HB3 GLN A 54 -13.634 -28.338 -12.629 1.00 0.99 H new ATOM 0 HG2 GLN A 54 -11.547 -29.254 -12.714 1.00 1.27 H new ATOM 0 HG3 GLN A 54 -11.750 -28.938 -14.425 1.00 1.27 H new ATOM 0 HE21 GLN A 54 -9.445 -28.934 -12.290 1.00 1.86 H new ATOM 0 HE22 GLN A 54 -8.540 -27.476 -12.707 1.00 1.86 H new ATOM 804 N VAL A 55 -15.763 -28.208 -14.802 1.00 0.88 N ATOM 805 CA VAL A 55 -16.654 -29.239 -15.312 1.00 0.98 C ATOM 806 C VAL A 55 -17.316 -28.813 -16.624 1.00 0.96 C ATOM 807 O VAL A 55 -17.856 -29.644 -17.354 1.00 1.10 O ATOM 808 CB VAL A 55 -17.730 -29.620 -14.264 1.00 1.13 C ATOM 809 CG1 VAL A 55 -18.950 -28.709 -14.347 1.00 1.82 C ATOM 810 CG2 VAL A 55 -18.135 -31.079 -14.420 1.00 1.36 C ATOM 0 H VAL A 55 -16.223 -27.491 -14.241 1.00 0.88 H new ATOM 0 HA VAL A 55 -16.043 -30.119 -15.513 1.00 0.98 H new ATOM 0 HB VAL A 55 -17.289 -29.483 -13.276 1.00 1.13 H new ATOM 0 HG11 VAL A 55 -19.680 -29.010 -13.596 1.00 1.82 H new ATOM 0 HG12 VAL A 55 -18.647 -27.678 -14.166 1.00 1.82 H new ATOM 0 HG13 VAL A 55 -19.396 -28.788 -15.338 1.00 1.82 H new ATOM 0 HG21 VAL A 55 -18.891 -31.328 -13.676 1.00 1.36 H new ATOM 0 HG22 VAL A 55 -18.542 -31.239 -15.418 1.00 1.36 H new ATOM 0 HG23 VAL A 55 -17.262 -31.716 -14.278 1.00 1.36 H new ATOM 820 N HIS A 56 -17.260 -27.521 -16.939 1.00 0.95 N ATOM 821 CA HIS A 56 -17.878 -27.014 -18.165 1.00 1.02 C ATOM 822 C HIS A 56 -16.879 -27.012 -19.316 1.00 0.97 C ATOM 823 O HIS A 56 -16.833 -26.080 -20.123 1.00 1.30 O ATOM 824 CB HIS A 56 -18.456 -25.610 -17.957 1.00 1.22 C ATOM 825 CG HIS A 56 -19.875 -25.487 -18.431 1.00 1.39 C ATOM 826 ND1 HIS A 56 -20.221 -25.010 -19.677 1.00 1.92 N ATOM 827 CD2 HIS A 56 -21.039 -25.816 -17.825 1.00 1.81 C ATOM 828 CE1 HIS A 56 -21.533 -25.051 -19.813 1.00 1.97 C ATOM 829 NE2 HIS A 56 -22.056 -25.539 -18.704 1.00 1.97 N ATOM 0 H HIS A 56 -16.798 -26.811 -16.370 1.00 0.95 H new ATOM 0 HA HIS A 56 -18.699 -27.683 -18.421 1.00 1.02 H new ATOM 0 HB2 HIS A 56 -18.409 -25.356 -16.898 1.00 1.22 H new ATOM 0 HB3 HIS A 56 -17.837 -24.886 -18.486 1.00 1.22 H new ATOM 0 HD2 HIS A 56 -21.148 -26.223 -16.830 1.00 1.81 H new ATOM 0 HE1 HIS A 56 -22.086 -24.738 -20.686 1.00 1.97 H new ATOM 0 HE2 HIS A 56 -23.050 -25.686 -18.529 1.00 1.97 H new ATOM 838 N ARG A 57 -16.096 -28.076 -19.377 1.00 0.98 N ATOM 839 CA ARG A 57 -15.072 -28.270 -20.392 1.00 1.19 C ATOM 840 C ARG A 57 -14.361 -29.578 -20.086 1.00 1.33 C ATOM 841 O ARG A 57 -14.965 -30.492 -19.522 1.00 2.17 O ATOM 842 CB ARG A 57 -14.064 -27.109 -20.397 1.00 1.33 C ATOM 843 CG ARG A 57 -13.789 -26.545 -21.784 1.00 1.79 C ATOM 844 CD ARG A 57 -13.036 -25.222 -21.720 1.00 1.88 C ATOM 845 NE ARG A 57 -11.722 -25.358 -21.085 1.00 2.28 N ATOM 846 CZ ARG A 57 -10.603 -25.684 -21.734 1.00 2.79 C ATOM 847 NH1 ARG A 57 -10.621 -25.908 -23.041 1.00 3.10 N ATOM 848 NH2 ARG A 57 -9.459 -25.768 -21.068 1.00 3.57 N ATOM 0 H ARG A 57 -16.155 -28.845 -18.709 1.00 0.98 H new ATOM 0 HA ARG A 57 -15.534 -28.301 -21.379 1.00 1.19 H new ATOM 0 HB2 ARG A 57 -14.440 -26.310 -19.757 1.00 1.33 H new ATOM 0 HB3 ARG A 57 -13.126 -27.452 -19.961 1.00 1.33 H new ATOM 0 HG2 ARG A 57 -13.209 -27.266 -22.360 1.00 1.79 H new ATOM 0 HG3 ARG A 57 -14.732 -26.401 -22.311 1.00 1.79 H new ATOM 0 HD2 ARG A 57 -12.910 -24.829 -22.729 1.00 1.88 H new ATOM 0 HD3 ARG A 57 -13.631 -24.495 -21.167 1.00 1.88 H new ATOM 0 HE ARG A 57 -11.659 -25.192 -20.080 1.00 2.28 H new ATOM 0 HH11 ARG A 57 -11.496 -25.832 -23.560 1.00 3.10 H new ATOM 0 HH12 ARG A 57 -9.760 -26.157 -23.528 1.00 3.10 H new ATOM 0 HH21 ARG A 57 -9.438 -25.584 -20.065 1.00 3.57 H new ATOM 0 HH22 ARG A 57 -8.600 -26.017 -21.559 1.00 3.57 H new ATOM 862 N GLU A 58 -13.098 -29.676 -20.455 1.00 1.21 N ATOM 863 CA GLU A 58 -12.267 -30.768 -19.989 1.00 1.40 C ATOM 864 C GLU A 58 -11.612 -30.354 -18.678 1.00 1.22 C ATOM 865 O GLU A 58 -11.607 -29.168 -18.338 1.00 1.68 O ATOM 866 CB GLU A 58 -11.208 -31.128 -21.030 1.00 1.88 C ATOM 867 CG GLU A 58 -11.514 -32.417 -21.776 1.00 2.68 C ATOM 868 CD GLU A 58 -12.493 -32.218 -22.914 1.00 3.16 C ATOM 869 OE1 GLU A 58 -12.110 -31.607 -23.933 1.00 3.53 O ATOM 870 OE2 GLU A 58 -13.649 -32.680 -22.802 1.00 3.64 O ATOM 0 H GLU A 58 -12.627 -29.015 -21.073 1.00 1.21 H new ATOM 0 HA GLU A 58 -12.883 -31.653 -19.830 1.00 1.40 H new ATOM 0 HB2 GLU A 58 -11.122 -30.312 -21.748 1.00 1.88 H new ATOM 0 HB3 GLU A 58 -10.241 -31.222 -20.537 1.00 1.88 H new ATOM 0 HG2 GLU A 58 -10.586 -32.833 -22.169 1.00 2.68 H new ATOM 0 HG3 GLU A 58 -11.920 -33.148 -21.077 1.00 2.68 H new ATOM 877 N TYR A 59 -11.070 -31.312 -17.939 1.00 1.26 N ATOM 878 CA TYR A 59 -10.439 -31.009 -16.662 1.00 1.40 C ATOM 879 C TYR A 59 -9.079 -30.361 -16.894 1.00 1.33 C ATOM 880 O TYR A 59 -8.041 -31.021 -16.851 1.00 1.82 O ATOM 881 CB TYR A 59 -10.308 -32.272 -15.807 1.00 1.93 C ATOM 882 CG TYR A 59 -11.245 -32.286 -14.619 1.00 2.42 C ATOM 883 CD1 TYR A 59 -12.620 -32.187 -14.793 1.00 2.85 C ATOM 884 CD2 TYR A 59 -10.754 -32.387 -13.322 1.00 2.98 C ATOM 885 CE1 TYR A 59 -13.480 -32.190 -13.710 1.00 3.50 C ATOM 886 CE2 TYR A 59 -11.608 -32.393 -12.236 1.00 3.65 C ATOM 887 CZ TYR A 59 -12.969 -32.294 -12.434 1.00 3.80 C ATOM 888 OH TYR A 59 -13.821 -32.297 -11.351 1.00 4.58 O ATOM 0 H TYR A 59 -11.054 -32.298 -18.199 1.00 1.26 H new ATOM 0 HA TYR A 59 -11.069 -30.306 -16.118 1.00 1.40 H new ATOM 0 HB2 TYR A 59 -10.506 -33.146 -16.428 1.00 1.93 H new ATOM 0 HB3 TYR A 59 -9.281 -32.358 -15.453 1.00 1.93 H new ATOM 0 HD1 TYR A 59 -13.024 -32.106 -15.791 1.00 2.85 H new ATOM 0 HD2 TYR A 59 -9.689 -32.462 -13.161 1.00 2.98 H new ATOM 0 HE1 TYR A 59 -14.546 -32.111 -13.863 1.00 3.50 H new ATOM 0 HE2 TYR A 59 -11.211 -32.475 -11.235 1.00 3.65 H new ATOM 0 HH TYR A 59 -13.300 -32.378 -10.525 1.00 4.58 H new ATOM 898 N GLN A 60 -9.114 -29.053 -17.127 1.00 1.24 N ATOM 899 CA GLN A 60 -7.940 -28.277 -17.516 1.00 1.28 C ATOM 900 C GLN A 60 -6.955 -28.070 -16.363 1.00 1.38 C ATOM 901 O GLN A 60 -5.939 -27.396 -16.534 1.00 1.94 O ATOM 902 CB GLN A 60 -8.389 -26.917 -18.051 1.00 1.68 C ATOM 903 CG GLN A 60 -9.055 -26.039 -16.998 1.00 1.83 C ATOM 904 CD GLN A 60 -10.419 -25.532 -17.423 1.00 2.07 C ATOM 905 OE1 GLN A 60 -10.608 -25.098 -18.557 1.00 2.80 O ATOM 906 NE2 GLN A 60 -11.374 -25.571 -16.509 1.00 2.27 N ATOM 0 H GLN A 60 -9.965 -28.496 -17.051 1.00 1.24 H new ATOM 0 HA GLN A 60 -7.418 -28.844 -18.286 1.00 1.28 H new ATOM 0 HB2 GLN A 60 -7.524 -26.392 -18.457 1.00 1.68 H new ATOM 0 HB3 GLN A 60 -9.084 -27.072 -18.876 1.00 1.68 H new ATOM 0 HG2 GLN A 60 -9.157 -26.606 -16.072 1.00 1.83 H new ATOM 0 HG3 GLN A 60 -8.409 -25.188 -16.781 1.00 1.83 H new ATOM 0 HE21 GLN A 60 -11.175 -25.939 -15.579 1.00 2.27 H new ATOM 0 HE22 GLN A 60 -12.310 -25.233 -16.734 1.00 2.27 H new ATOM 915 N VAL A 61 -7.264 -28.642 -15.201 1.00 1.49 N ATOM 916 CA VAL A 61 -6.418 -28.528 -14.009 1.00 1.90 C ATOM 917 C VAL A 61 -6.222 -27.067 -13.600 1.00 2.03 C ATOM 918 O VAL A 61 -7.068 -26.486 -12.917 1.00 2.77 O ATOM 919 CB VAL A 61 -5.037 -29.201 -14.198 1.00 2.42 C ATOM 920 CG1 VAL A 61 -4.376 -29.449 -12.849 1.00 3.13 C ATOM 921 CG2 VAL A 61 -5.165 -30.504 -14.971 1.00 2.70 C ATOM 0 H VAL A 61 -8.107 -29.198 -15.057 1.00 1.49 H new ATOM 0 HA VAL A 61 -6.946 -29.055 -13.214 1.00 1.90 H new ATOM 0 HB VAL A 61 -4.409 -28.524 -14.777 1.00 2.42 H new ATOM 0 HG11 VAL A 61 -3.406 -29.923 -13.001 1.00 3.13 H new ATOM 0 HG12 VAL A 61 -4.239 -28.500 -12.331 1.00 3.13 H new ATOM 0 HG13 VAL A 61 -5.009 -30.102 -12.248 1.00 3.13 H new ATOM 0 HG21 VAL A 61 -4.180 -30.955 -15.089 1.00 2.70 H new ATOM 0 HG22 VAL A 61 -5.815 -31.188 -14.425 1.00 2.70 H new ATOM 0 HG23 VAL A 61 -5.592 -30.304 -15.953 1.00 2.70 H new ATOM 931 N GLU A 62 -5.112 -26.475 -14.026 1.00 1.77 N ATOM 932 CA GLU A 62 -4.779 -25.109 -13.655 1.00 2.15 C ATOM 933 C GLU A 62 -4.616 -24.232 -14.891 1.00 1.95 C ATOM 934 O GLU A 62 -3.923 -23.215 -14.853 1.00 2.59 O ATOM 935 CB GLU A 62 -3.491 -25.085 -12.833 1.00 2.85 C ATOM 936 CG GLU A 62 -3.642 -25.674 -11.442 1.00 3.27 C ATOM 937 CD GLU A 62 -4.324 -24.726 -10.477 1.00 4.00 C ATOM 938 OE1 GLU A 62 -4.104 -23.498 -10.579 1.00 4.41 O ATOM 939 OE2 GLU A 62 -5.077 -25.206 -9.604 1.00 4.56 O ATOM 0 H GLU A 62 -4.425 -26.925 -14.632 1.00 1.77 H new ATOM 0 HA GLU A 62 -5.598 -24.713 -13.055 1.00 2.15 H new ATOM 0 HB2 GLU A 62 -2.718 -25.636 -13.369 1.00 2.85 H new ATOM 0 HB3 GLU A 62 -3.145 -24.055 -12.746 1.00 2.85 H new ATOM 0 HG2 GLU A 62 -4.216 -26.598 -11.504 1.00 3.27 H new ATOM 0 HG3 GLU A 62 -2.658 -25.935 -11.054 1.00 3.27 H new ATOM 946 N LEU A 63 -5.238 -24.632 -15.989 1.00 1.62 N ATOM 947 CA LEU A 63 -5.198 -23.841 -17.215 1.00 1.78 C ATOM 948 C LEU A 63 -6.610 -23.544 -17.717 1.00 1.53 C ATOM 949 O LEU A 63 -7.032 -24.050 -18.760 1.00 1.50 O ATOM 950 CB LEU A 63 -4.394 -24.575 -18.293 1.00 2.34 C ATOM 951 CG LEU A 63 -3.477 -23.694 -19.156 1.00 2.46 C ATOM 952 CD1 LEU A 63 -4.151 -23.350 -20.476 1.00 2.93 C ATOM 953 CD2 LEU A 63 -3.079 -22.421 -18.415 1.00 3.01 C ATOM 0 H LEU A 63 -5.775 -25.496 -16.059 1.00 1.62 H new ATOM 0 HA LEU A 63 -4.708 -22.893 -16.994 1.00 1.78 H new ATOM 0 HB2 LEU A 63 -3.784 -25.338 -17.809 1.00 2.34 H new ATOM 0 HB3 LEU A 63 -5.092 -25.094 -18.950 1.00 2.34 H new ATOM 0 HG LEU A 63 -2.570 -24.261 -19.365 1.00 2.46 H new ATOM 0 HD11 LEU A 63 -3.486 -22.726 -21.072 1.00 2.93 H new ATOM 0 HD12 LEU A 63 -4.373 -24.267 -21.021 1.00 2.93 H new ATOM 0 HD13 LEU A 63 -5.078 -22.810 -20.282 1.00 2.93 H new ATOM 0 HD21 LEU A 63 -2.430 -21.818 -19.050 1.00 3.01 H new ATOM 0 HD22 LEU A 63 -3.974 -21.851 -18.165 1.00 3.01 H new ATOM 0 HD23 LEU A 63 -2.548 -22.684 -17.500 1.00 3.01 H new ATOM 965 N PRO A 64 -7.359 -22.706 -16.986 1.00 1.52 N ATOM 966 CA PRO A 64 -8.739 -22.382 -17.311 1.00 1.44 C ATOM 967 C PRO A 64 -8.837 -21.210 -18.281 1.00 1.43 C ATOM 968 O PRO A 64 -9.209 -20.103 -17.899 1.00 1.89 O ATOM 969 CB PRO A 64 -9.343 -22.011 -15.945 1.00 1.66 C ATOM 970 CG PRO A 64 -8.199 -21.960 -14.974 1.00 1.91 C ATOM 971 CD PRO A 64 -6.937 -21.987 -15.787 1.00 1.79 C ATOM 0 HA PRO A 64 -9.254 -23.205 -17.807 1.00 1.44 H new ATOM 0 HB2 PRO A 64 -9.853 -21.049 -15.995 1.00 1.66 H new ATOM 0 HB3 PRO A 64 -10.083 -22.749 -15.635 1.00 1.66 H new ATOM 0 HG2 PRO A 64 -8.248 -21.056 -14.366 1.00 1.91 H new ATOM 0 HG3 PRO A 64 -8.236 -22.807 -14.289 1.00 1.91 H new ATOM 0 HD2 PRO A 64 -6.580 -20.983 -16.018 1.00 1.79 H new ATOM 0 HD3 PRO A 64 -6.128 -22.501 -15.267 1.00 1.79 H new ATOM 979 N LEU A 65 -8.492 -21.460 -19.533 1.00 1.22 N ATOM 980 CA LEU A 65 -8.502 -20.422 -20.555 1.00 1.24 C ATOM 981 C LEU A 65 -9.907 -20.226 -21.116 1.00 1.19 C ATOM 982 O LEU A 65 -10.563 -21.199 -21.499 1.00 1.82 O ATOM 983 CB LEU A 65 -7.531 -20.787 -21.680 1.00 1.39 C ATOM 984 CG LEU A 65 -7.381 -19.737 -22.784 1.00 1.86 C ATOM 985 CD1 LEU A 65 -6.578 -18.547 -22.284 1.00 2.46 C ATOM 986 CD2 LEU A 65 -6.718 -20.347 -24.007 1.00 2.34 C ATOM 0 H LEU A 65 -8.200 -22.378 -19.869 1.00 1.22 H new ATOM 0 HA LEU A 65 -8.184 -19.485 -20.098 1.00 1.24 H new ATOM 0 HB2 LEU A 65 -6.550 -20.974 -21.244 1.00 1.39 H new ATOM 0 HB3 LEU A 65 -7.861 -21.722 -22.133 1.00 1.39 H new ATOM 0 HG LEU A 65 -8.375 -19.388 -23.065 1.00 1.86 H new ATOM 0 HD11 LEU A 65 -6.482 -17.811 -23.083 1.00 2.46 H new ATOM 0 HD12 LEU A 65 -7.089 -18.095 -21.434 1.00 2.46 H new ATOM 0 HD13 LEU A 65 -5.587 -18.880 -21.977 1.00 2.46 H new ATOM 0 HD21 LEU A 65 -6.618 -19.588 -24.783 1.00 2.34 H new ATOM 0 HD22 LEU A 65 -5.731 -20.722 -23.737 1.00 2.34 H new ATOM 0 HD23 LEU A 65 -7.329 -21.169 -24.380 1.00 2.34 H new ATOM 998 N LYS A 66 -10.357 -18.967 -21.148 1.00 0.89 N ATOM 999 CA LYS A 66 -11.681 -18.613 -21.673 1.00 0.89 C ATOM 1000 C LYS A 66 -12.786 -19.346 -20.918 1.00 0.88 C ATOM 1001 O LYS A 66 -13.818 -19.706 -21.488 1.00 1.21 O ATOM 1002 CB LYS A 66 -11.767 -18.915 -23.171 1.00 1.03 C ATOM 1003 CG LYS A 66 -11.466 -17.711 -24.048 1.00 1.47 C ATOM 1004 CD LYS A 66 -12.637 -17.378 -24.956 1.00 1.62 C ATOM 1005 CE LYS A 66 -12.224 -16.434 -26.074 1.00 1.99 C ATOM 1006 NZ LYS A 66 -11.459 -17.130 -27.140 1.00 2.42 N ATOM 0 H LYS A 66 -9.818 -18.169 -20.813 1.00 0.89 H new ATOM 0 HA LYS A 66 -11.823 -17.542 -21.526 1.00 0.89 H new ATOM 0 HB2 LYS A 66 -11.068 -19.715 -23.413 1.00 1.03 H new ATOM 0 HB3 LYS A 66 -12.766 -19.283 -23.403 1.00 1.03 H new ATOM 0 HG2 LYS A 66 -11.235 -16.851 -23.420 1.00 1.47 H new ATOM 0 HG3 LYS A 66 -10.581 -17.912 -24.652 1.00 1.47 H new ATOM 0 HD2 LYS A 66 -13.040 -18.296 -25.384 1.00 1.62 H new ATOM 0 HD3 LYS A 66 -13.435 -16.922 -24.370 1.00 1.62 H new ATOM 0 HE2 LYS A 66 -13.113 -15.975 -26.507 1.00 1.99 H new ATOM 0 HE3 LYS A 66 -11.618 -15.627 -25.661 1.00 1.99 H new ATOM 0 HZ1 LYS A 66 -11.301 -16.479 -27.935 1.00 2.42 H new ATOM 0 HZ2 LYS A 66 -10.543 -17.443 -26.761 1.00 2.42 H new ATOM 0 HZ3 LYS A 66 -11.998 -17.956 -27.471 1.00 2.42 H new ATOM 1020 N VAL A 67 -12.558 -19.551 -19.632 1.00 0.96 N ATOM 1021 CA VAL A 67 -13.499 -20.254 -18.787 1.00 1.08 C ATOM 1022 C VAL A 67 -14.417 -19.259 -18.064 1.00 1.15 C ATOM 1023 O VAL A 67 -14.339 -18.054 -18.312 1.00 1.70 O ATOM 1024 CB VAL A 67 -12.746 -21.162 -17.784 1.00 1.17 C ATOM 1025 CG1 VAL A 67 -12.381 -20.420 -16.503 1.00 1.65 C ATOM 1026 CG2 VAL A 67 -13.557 -22.407 -17.481 1.00 2.11 C ATOM 0 H VAL A 67 -11.717 -19.235 -19.149 1.00 0.96 H new ATOM 0 HA VAL A 67 -14.126 -20.892 -19.410 1.00 1.08 H new ATOM 0 HB VAL A 67 -11.810 -21.464 -18.254 1.00 1.17 H new ATOM 0 HG11 VAL A 67 -11.854 -21.095 -15.829 1.00 1.65 H new ATOM 0 HG12 VAL A 67 -11.738 -19.573 -16.744 1.00 1.65 H new ATOM 0 HG13 VAL A 67 -13.289 -20.060 -16.020 1.00 1.65 H new ATOM 0 HG21 VAL A 67 -13.012 -23.033 -16.774 1.00 2.11 H new ATOM 0 HG22 VAL A 67 -14.515 -22.120 -17.048 1.00 2.11 H new ATOM 0 HG23 VAL A 67 -13.727 -22.964 -18.403 1.00 2.11 H new ATOM 1036 N LEU A 68 -15.260 -19.769 -17.162 1.00 1.00 N ATOM 1037 CA LEU A 68 -16.274 -18.970 -16.471 1.00 1.15 C ATOM 1038 C LEU A 68 -15.697 -17.733 -15.772 1.00 1.14 C ATOM 1039 O LEU A 68 -16.431 -16.789 -15.483 1.00 1.53 O ATOM 1040 CB LEU A 68 -17.018 -19.841 -15.454 1.00 1.35 C ATOM 1041 CG LEU A 68 -18.297 -20.496 -15.979 1.00 1.62 C ATOM 1042 CD1 LEU A 68 -18.656 -21.716 -15.143 1.00 2.19 C ATOM 1043 CD2 LEU A 68 -19.442 -19.494 -15.981 1.00 2.02 C ATOM 0 H LEU A 68 -15.258 -20.752 -16.890 1.00 1.00 H new ATOM 0 HA LEU A 68 -16.962 -18.607 -17.235 1.00 1.15 H new ATOM 0 HB2 LEU A 68 -16.344 -20.623 -15.105 1.00 1.35 H new ATOM 0 HB3 LEU A 68 -17.270 -19.228 -14.588 1.00 1.35 H new ATOM 0 HG LEU A 68 -18.122 -20.824 -17.004 1.00 1.62 H new ATOM 0 HD11 LEU A 68 -19.568 -22.168 -15.532 1.00 2.19 H new ATOM 0 HD12 LEU A 68 -17.843 -22.441 -15.190 1.00 2.19 H new ATOM 0 HD13 LEU A 68 -18.814 -21.414 -14.108 1.00 2.19 H new ATOM 0 HD21 LEU A 68 -20.345 -19.974 -16.357 1.00 2.02 H new ATOM 0 HD22 LEU A 68 -19.616 -19.138 -14.965 1.00 2.02 H new ATOM 0 HD23 LEU A 68 -19.186 -18.650 -16.622 1.00 2.02 H new ATOM 1055 N PHE A 69 -14.399 -17.734 -15.483 1.00 1.04 N ATOM 1056 CA PHE A 69 -13.763 -16.560 -14.899 1.00 1.16 C ATOM 1057 C PHE A 69 -12.393 -16.308 -15.517 1.00 1.15 C ATOM 1058 O PHE A 69 -11.421 -16.029 -14.816 1.00 1.87 O ATOM 1059 CB PHE A 69 -13.651 -16.681 -13.372 1.00 1.30 C ATOM 1060 CG PHE A 69 -13.224 -18.033 -12.858 1.00 1.20 C ATOM 1061 CD1 PHE A 69 -12.025 -18.609 -13.251 1.00 1.55 C ATOM 1062 CD2 PHE A 69 -14.022 -18.717 -11.956 1.00 1.60 C ATOM 1063 CE1 PHE A 69 -11.633 -19.839 -12.753 1.00 1.81 C ATOM 1064 CE2 PHE A 69 -13.638 -19.944 -11.456 1.00 1.69 C ATOM 1065 CZ PHE A 69 -12.442 -20.506 -11.854 1.00 1.60 C ATOM 0 H PHE A 69 -13.774 -18.525 -15.642 1.00 1.04 H new ATOM 0 HA PHE A 69 -14.400 -15.704 -15.123 1.00 1.16 H new ATOM 0 HB2 PHE A 69 -12.940 -15.935 -13.017 1.00 1.30 H new ATOM 0 HB3 PHE A 69 -14.618 -16.434 -12.933 1.00 1.30 H new ATOM 0 HD1 PHE A 69 -11.390 -18.091 -13.954 1.00 1.55 H new ATOM 0 HD2 PHE A 69 -14.959 -18.283 -11.639 1.00 1.60 H new ATOM 0 HE1 PHE A 69 -10.697 -20.276 -13.067 1.00 1.81 H new ATOM 0 HE2 PHE A 69 -14.273 -20.464 -10.754 1.00 1.69 H new ATOM 0 HZ PHE A 69 -12.139 -21.466 -11.463 1.00 1.60 H new ATOM 1075 N ALA A 70 -12.315 -16.408 -16.832 1.00 0.92 N ATOM 1076 CA ALA A 70 -11.066 -16.152 -17.536 1.00 0.94 C ATOM 1077 C ALA A 70 -11.238 -15.023 -18.541 1.00 0.91 C ATOM 1078 O ALA A 70 -10.845 -15.145 -19.705 1.00 1.09 O ATOM 1079 CB ALA A 70 -10.567 -17.409 -18.222 1.00 1.03 C ATOM 0 H ALA A 70 -13.097 -16.664 -17.434 1.00 0.92 H new ATOM 0 HA ALA A 70 -10.319 -15.846 -16.803 1.00 0.94 H new ATOM 0 HB1 ALA A 70 -9.633 -17.194 -18.741 1.00 1.03 H new ATOM 0 HB2 ALA A 70 -10.397 -18.187 -17.478 1.00 1.03 H new ATOM 0 HB3 ALA A 70 -11.311 -17.751 -18.941 1.00 1.03 H new ATOM 1085 N GLN A 71 -11.847 -13.939 -18.075 1.00 1.05 N ATOM 1086 CA GLN A 71 -12.056 -12.741 -18.873 1.00 1.14 C ATOM 1087 C GLN A 71 -12.361 -11.576 -17.939 1.00 1.04 C ATOM 1088 O GLN A 71 -13.001 -11.772 -16.906 1.00 1.19 O ATOM 1089 CB GLN A 71 -13.217 -12.933 -19.854 1.00 1.43 C ATOM 1090 CG GLN A 71 -12.789 -12.962 -21.313 1.00 1.89 C ATOM 1091 CD GLN A 71 -12.936 -11.613 -21.991 1.00 2.54 C ATOM 1092 OE1 GLN A 71 -13.677 -10.745 -21.527 1.00 2.96 O ATOM 1093 NE2 GLN A 71 -12.223 -11.426 -23.090 1.00 3.23 N ATOM 0 H GLN A 71 -12.212 -13.868 -17.125 1.00 1.05 H new ATOM 0 HA GLN A 71 -11.154 -12.537 -19.450 1.00 1.14 H new ATOM 0 HB2 GLN A 71 -13.730 -13.865 -19.617 1.00 1.43 H new ATOM 0 HB3 GLN A 71 -13.937 -12.127 -19.712 1.00 1.43 H new ATOM 0 HG2 GLN A 71 -11.750 -13.285 -21.377 1.00 1.89 H new ATOM 0 HG3 GLN A 71 -13.386 -13.700 -21.848 1.00 1.89 H new ATOM 0 HE21 GLN A 71 -11.621 -12.171 -23.441 1.00 3.23 H new ATOM 0 HE22 GLN A 71 -12.275 -10.536 -23.586 1.00 3.23 H new ATOM 1102 N PRO A 72 -11.905 -10.356 -18.276 1.00 1.11 N ATOM 1103 CA PRO A 72 -12.133 -9.159 -17.448 1.00 1.26 C ATOM 1104 C PRO A 72 -13.599 -8.720 -17.417 1.00 1.21 C ATOM 1105 O PRO A 72 -13.949 -7.720 -16.795 1.00 1.62 O ATOM 1106 CB PRO A 72 -11.270 -8.078 -18.120 1.00 1.60 C ATOM 1107 CG PRO A 72 -10.364 -8.812 -19.053 1.00 1.77 C ATOM 1108 CD PRO A 72 -11.112 -10.042 -19.470 1.00 1.38 C ATOM 0 HA PRO A 72 -11.875 -9.348 -16.406 1.00 1.26 H new ATOM 0 HB2 PRO A 72 -11.889 -7.360 -18.658 1.00 1.60 H new ATOM 0 HB3 PRO A 72 -10.700 -7.516 -17.381 1.00 1.60 H new ATOM 0 HG2 PRO A 72 -10.112 -8.197 -19.917 1.00 1.77 H new ATOM 0 HG3 PRO A 72 -9.426 -9.073 -18.562 1.00 1.77 H new ATOM 0 HD2 PRO A 72 -11.744 -9.857 -20.339 1.00 1.38 H new ATOM 0 HD3 PRO A 72 -10.437 -10.856 -19.734 1.00 1.38 H new ATOM 1116 N THR A 73 -14.455 -9.466 -18.099 1.00 1.29 N ATOM 1117 CA THR A 73 -15.874 -9.161 -18.128 1.00 1.40 C ATOM 1118 C THR A 73 -16.696 -10.398 -17.775 1.00 1.25 C ATOM 1119 O THR A 73 -17.078 -11.171 -18.653 1.00 1.55 O ATOM 1120 CB THR A 73 -16.295 -8.631 -19.510 1.00 1.86 C ATOM 1121 OG1 THR A 73 -15.163 -8.036 -20.164 1.00 2.46 O ATOM 1122 CG2 THR A 73 -17.410 -7.604 -19.377 1.00 2.01 C ATOM 0 H THR A 73 -14.189 -10.289 -18.640 1.00 1.29 H new ATOM 0 HA THR A 73 -16.064 -8.386 -17.386 1.00 1.40 H new ATOM 0 HB THR A 73 -16.664 -9.467 -20.105 1.00 1.86 H new ATOM 0 HG1 THR A 73 -15.433 -7.701 -21.044 1.00 2.46 H new ATOM 0 HG21 THR A 73 -17.692 -7.243 -20.366 1.00 2.01 H new ATOM 0 HG22 THR A 73 -18.274 -8.065 -18.899 1.00 2.01 H new ATOM 0 HG23 THR A 73 -17.064 -6.767 -18.770 1.00 2.01 H new ATOM 1130 N ILE A 74 -16.960 -10.576 -16.480 1.00 1.12 N ATOM 1131 CA ILE A 74 -17.671 -11.752 -15.979 1.00 1.13 C ATOM 1132 C ILE A 74 -19.063 -11.902 -16.609 1.00 1.08 C ATOM 1133 O ILE A 74 -19.531 -13.020 -16.825 1.00 1.12 O ATOM 1134 CB ILE A 74 -17.787 -11.725 -14.432 1.00 1.34 C ATOM 1135 CG1 ILE A 74 -18.389 -13.034 -13.914 1.00 1.42 C ATOM 1136 CG2 ILE A 74 -18.609 -10.534 -13.961 1.00 1.89 C ATOM 1137 CD1 ILE A 74 -17.362 -14.109 -13.636 1.00 2.08 C ATOM 0 H ILE A 74 -16.689 -9.914 -15.753 1.00 1.12 H new ATOM 0 HA ILE A 74 -17.078 -12.619 -16.271 1.00 1.13 H new ATOM 0 HB ILE A 74 -16.782 -11.620 -14.023 1.00 1.34 H new ATOM 0 HG12 ILE A 74 -18.945 -12.830 -12.999 1.00 1.42 H new ATOM 0 HG13 ILE A 74 -19.105 -13.409 -14.646 1.00 1.42 H new ATOM 0 HG21 ILE A 74 -18.672 -10.543 -12.873 1.00 1.89 H new ATOM 0 HG22 ILE A 74 -18.132 -9.610 -14.289 1.00 1.89 H new ATOM 0 HG23 ILE A 74 -19.612 -10.595 -14.383 1.00 1.89 H new ATOM 0 HD11 ILE A 74 -17.863 -15.006 -13.272 1.00 2.08 H new ATOM 0 HD12 ILE A 74 -16.822 -14.342 -14.554 1.00 2.08 H new ATOM 0 HD13 ILE A 74 -16.660 -13.755 -12.881 1.00 2.08 H new ATOM 1149 N LYS A 75 -19.715 -10.786 -16.927 1.00 1.07 N ATOM 1150 CA LYS A 75 -21.050 -10.835 -17.522 1.00 1.12 C ATOM 1151 C LYS A 75 -21.014 -11.536 -18.874 1.00 1.02 C ATOM 1152 O LYS A 75 -21.900 -12.323 -19.196 1.00 1.06 O ATOM 1153 CB LYS A 75 -21.646 -9.428 -17.666 1.00 1.25 C ATOM 1154 CG LYS A 75 -20.736 -8.427 -18.362 1.00 1.80 C ATOM 1155 CD LYS A 75 -21.342 -7.928 -19.666 1.00 2.44 C ATOM 1156 CE LYS A 75 -22.407 -6.871 -19.419 1.00 3.14 C ATOM 1157 NZ LYS A 75 -22.017 -5.549 -19.974 1.00 3.80 N ATOM 0 H LYS A 75 -19.346 -9.846 -16.785 1.00 1.07 H new ATOM 0 HA LYS A 75 -21.690 -11.407 -16.851 1.00 1.12 H new ATOM 0 HB2 LYS A 75 -22.581 -9.498 -18.222 1.00 1.25 H new ATOM 0 HB3 LYS A 75 -21.892 -9.048 -16.675 1.00 1.25 H new ATOM 0 HG2 LYS A 75 -20.551 -7.581 -17.700 1.00 1.80 H new ATOM 0 HG3 LYS A 75 -19.771 -8.891 -18.563 1.00 1.80 H new ATOM 0 HD2 LYS A 75 -20.557 -7.513 -20.298 1.00 2.44 H new ATOM 0 HD3 LYS A 75 -21.779 -8.766 -20.209 1.00 2.44 H new ATOM 0 HE2 LYS A 75 -23.347 -7.191 -19.870 1.00 3.14 H new ATOM 0 HE3 LYS A 75 -22.583 -6.777 -18.347 1.00 3.14 H new ATOM 0 HZ1 LYS A 75 -22.862 -5.059 -20.330 1.00 3.80 H new ATOM 0 HZ2 LYS A 75 -21.574 -4.976 -19.228 1.00 3.80 H new ATOM 0 HZ3 LYS A 75 -21.342 -5.685 -20.753 1.00 3.80 H new ATOM 1171 N ALA A 76 -19.962 -11.281 -19.641 1.00 0.97 N ATOM 1172 CA ALA A 76 -19.823 -11.870 -20.966 1.00 0.98 C ATOM 1173 C ALA A 76 -19.671 -13.382 -20.869 1.00 0.91 C ATOM 1174 O ALA A 76 -20.117 -14.119 -21.744 1.00 0.97 O ATOM 1175 CB ALA A 76 -18.634 -11.261 -21.694 1.00 1.08 C ATOM 0 H ALA A 76 -19.192 -10.670 -19.368 1.00 0.97 H new ATOM 0 HA ALA A 76 -20.727 -11.653 -21.535 1.00 0.98 H new ATOM 0 HB1 ALA A 76 -18.543 -11.711 -22.683 1.00 1.08 H new ATOM 0 HB2 ALA A 76 -18.782 -10.186 -21.797 1.00 1.08 H new ATOM 0 HB3 ALA A 76 -17.724 -11.449 -21.125 1.00 1.08 H new ATOM 1181 N LEU A 77 -19.052 -13.835 -19.789 1.00 0.91 N ATOM 1182 CA LEU A 77 -18.854 -15.255 -19.560 1.00 0.97 C ATOM 1183 C LEU A 77 -20.137 -15.900 -19.047 1.00 1.04 C ATOM 1184 O LEU A 77 -20.462 -17.032 -19.407 1.00 1.11 O ATOM 1185 CB LEU A 77 -17.716 -15.470 -18.566 1.00 1.15 C ATOM 1186 CG LEU A 77 -16.401 -14.786 -18.941 1.00 1.59 C ATOM 1187 CD1 LEU A 77 -15.536 -14.580 -17.708 1.00 2.41 C ATOM 1188 CD2 LEU A 77 -15.658 -15.605 -19.985 1.00 1.94 C ATOM 0 H LEU A 77 -18.677 -13.234 -19.055 1.00 0.91 H new ATOM 0 HA LEU A 77 -18.589 -15.727 -20.506 1.00 0.97 H new ATOM 0 HB2 LEU A 77 -18.033 -15.107 -17.588 1.00 1.15 H new ATOM 0 HB3 LEU A 77 -17.537 -16.541 -18.466 1.00 1.15 H new ATOM 0 HG LEU A 77 -16.628 -13.808 -19.366 1.00 1.59 H new ATOM 0 HD11 LEU A 77 -14.604 -14.092 -17.995 1.00 2.41 H new ATOM 0 HD12 LEU A 77 -16.068 -13.955 -16.991 1.00 2.41 H new ATOM 0 HD13 LEU A 77 -15.315 -15.546 -17.253 1.00 2.41 H new ATOM 0 HD21 LEU A 77 -14.724 -15.106 -20.242 1.00 1.94 H new ATOM 0 HD22 LEU A 77 -15.442 -16.595 -19.584 1.00 1.94 H new ATOM 0 HD23 LEU A 77 -16.275 -15.702 -20.878 1.00 1.94 H new ATOM 1200 N ALA A 78 -20.868 -15.163 -18.218 1.00 1.13 N ATOM 1201 CA ALA A 78 -22.149 -15.630 -17.699 1.00 1.34 C ATOM 1202 C ALA A 78 -23.178 -15.730 -18.819 1.00 1.34 C ATOM 1203 O ALA A 78 -24.137 -16.501 -18.736 1.00 1.53 O ATOM 1204 CB ALA A 78 -22.645 -14.699 -16.602 1.00 1.57 C ATOM 0 H ALA A 78 -20.594 -14.237 -17.890 1.00 1.13 H new ATOM 0 HA ALA A 78 -22.008 -16.624 -17.275 1.00 1.34 H new ATOM 0 HB1 ALA A 78 -23.602 -15.059 -16.224 1.00 1.57 H new ATOM 0 HB2 ALA A 78 -21.919 -14.675 -15.789 1.00 1.57 H new ATOM 0 HB3 ALA A 78 -22.770 -13.694 -17.006 1.00 1.57 H new ATOM 1210 N GLN A 79 -22.970 -14.945 -19.866 1.00 1.27 N ATOM 1211 CA GLN A 79 -23.829 -14.981 -21.041 1.00 1.42 C ATOM 1212 C GLN A 79 -23.286 -15.966 -22.074 1.00 1.44 C ATOM 1213 O GLN A 79 -23.866 -16.145 -23.145 1.00 1.79 O ATOM 1214 CB GLN A 79 -23.936 -13.588 -21.662 1.00 1.53 C ATOM 1215 CG GLN A 79 -24.631 -12.569 -20.769 1.00 1.65 C ATOM 1216 CD GLN A 79 -24.483 -11.146 -21.282 1.00 2.19 C ATOM 1217 OE1 GLN A 79 -23.921 -10.283 -20.609 1.00 2.63 O ATOM 1218 NE2 GLN A 79 -24.994 -10.890 -22.479 1.00 2.74 N ATOM 0 H GLN A 79 -22.207 -14.270 -19.926 1.00 1.27 H new ATOM 0 HA GLN A 79 -24.820 -15.310 -20.729 1.00 1.42 H new ATOM 0 HB2 GLN A 79 -22.935 -13.228 -21.898 1.00 1.53 H new ATOM 0 HB3 GLN A 79 -24.479 -13.661 -22.605 1.00 1.53 H new ATOM 0 HG2 GLN A 79 -25.690 -12.817 -20.697 1.00 1.65 H new ATOM 0 HG3 GLN A 79 -24.219 -12.633 -19.762 1.00 1.65 H new ATOM 0 HE21 GLN A 79 -25.453 -11.632 -23.007 1.00 2.74 H new ATOM 0 HE22 GLN A 79 -24.928 -9.951 -22.871 1.00 2.74 H new ATOM 1227 N TYR A 80 -22.166 -16.601 -21.746 1.00 1.23 N ATOM 1228 CA TYR A 80 -21.523 -17.533 -22.661 1.00 1.38 C ATOM 1229 C TYR A 80 -21.563 -18.956 -22.114 1.00 1.39 C ATOM 1230 O TYR A 80 -22.516 -19.698 -22.352 1.00 1.59 O ATOM 1231 CB TYR A 80 -20.070 -17.117 -22.903 1.00 1.43 C ATOM 1232 CG TYR A 80 -19.864 -16.259 -24.131 1.00 1.68 C ATOM 1233 CD1 TYR A 80 -20.937 -15.653 -24.772 1.00 2.06 C ATOM 1234 CD2 TYR A 80 -18.591 -16.052 -24.645 1.00 1.83 C ATOM 1235 CE1 TYR A 80 -20.747 -14.869 -25.890 1.00 2.42 C ATOM 1236 CE2 TYR A 80 -18.393 -15.269 -25.763 1.00 2.18 C ATOM 1237 CZ TYR A 80 -19.474 -14.680 -26.383 1.00 2.42 C ATOM 1238 OH TYR A 80 -19.279 -13.899 -27.499 1.00 2.85 O ATOM 0 H TYR A 80 -21.686 -16.486 -20.853 1.00 1.23 H new ATOM 0 HA TYR A 80 -22.070 -17.509 -23.603 1.00 1.38 H new ATOM 0 HB2 TYR A 80 -19.710 -16.573 -22.030 1.00 1.43 H new ATOM 0 HB3 TYR A 80 -19.458 -18.014 -22.994 1.00 1.43 H new ATOM 0 HD1 TYR A 80 -21.936 -15.798 -24.388 1.00 2.06 H new ATOM 0 HD2 TYR A 80 -17.742 -16.512 -24.161 1.00 1.83 H new ATOM 0 HE1 TYR A 80 -21.592 -14.405 -26.377 1.00 2.42 H new ATOM 0 HE2 TYR A 80 -17.396 -15.118 -26.151 1.00 2.18 H new ATOM 0 HH TYR A 80 -18.323 -13.868 -27.714 1.00 2.85 H new ATOM 1248 N VAL A 81 -20.548 -19.311 -21.339 1.00 1.29 N ATOM 1249 CA VAL A 81 -20.360 -20.687 -20.884 1.00 1.39 C ATOM 1250 C VAL A 81 -21.218 -21.009 -19.660 1.00 1.35 C ATOM 1251 O VAL A 81 -20.915 -21.933 -18.905 1.00 1.49 O ATOM 1252 CB VAL A 81 -18.876 -20.969 -20.554 1.00 1.56 C ATOM 1253 CG1 VAL A 81 -18.061 -21.125 -21.830 1.00 2.13 C ATOM 1254 CG2 VAL A 81 -18.292 -19.865 -19.681 1.00 1.72 C ATOM 0 H VAL A 81 -19.835 -18.661 -21.008 1.00 1.29 H new ATOM 0 HA VAL A 81 -20.676 -21.329 -21.706 1.00 1.39 H new ATOM 0 HB VAL A 81 -18.828 -21.905 -19.997 1.00 1.56 H new ATOM 0 HG11 VAL A 81 -17.020 -21.323 -21.575 1.00 2.13 H new ATOM 0 HG12 VAL A 81 -18.456 -21.956 -22.414 1.00 2.13 H new ATOM 0 HG13 VAL A 81 -18.123 -20.208 -22.416 1.00 2.13 H new ATOM 0 HG21 VAL A 81 -17.247 -20.087 -19.463 1.00 1.72 H new ATOM 0 HG22 VAL A 81 -18.358 -18.912 -20.206 1.00 1.72 H new ATOM 0 HG23 VAL A 81 -18.852 -19.804 -18.748 1.00 1.72 H new ATOM 1264 N ALA A 82 -22.279 -20.240 -19.464 1.00 1.42 N ATOM 1265 CA ALA A 82 -23.203 -20.483 -18.366 1.00 1.52 C ATOM 1266 C ALA A 82 -24.644 -20.507 -18.864 1.00 1.59 C ATOM 1267 O ALA A 82 -25.570 -20.781 -18.103 1.00 1.90 O ATOM 1268 CB ALA A 82 -23.033 -19.428 -17.284 1.00 1.66 C ATOM 0 H ALA A 82 -22.521 -19.442 -20.051 1.00 1.42 H new ATOM 0 HA ALA A 82 -22.974 -21.459 -17.939 1.00 1.52 H new ATOM 0 HB1 ALA A 82 -23.732 -19.625 -16.471 1.00 1.66 H new ATOM 0 HB2 ALA A 82 -22.013 -19.460 -16.902 1.00 1.66 H new ATOM 0 HB3 ALA A 82 -23.233 -18.442 -17.703 1.00 1.66 H new ATOM 1274 N THR A 83 -24.829 -20.225 -20.147 1.00 1.64 N ATOM 1275 CA THR A 83 -26.163 -20.158 -20.724 1.00 1.83 C ATOM 1276 C THR A 83 -26.184 -20.746 -22.134 1.00 2.01 C ATOM 1277 O THR A 83 -26.947 -21.665 -22.424 1.00 2.41 O ATOM 1278 CB THR A 83 -26.663 -18.702 -20.777 1.00 2.14 C ATOM 1279 OG1 THR A 83 -25.543 -17.807 -20.762 1.00 2.59 O ATOM 1280 CG2 THR A 83 -27.580 -18.393 -19.600 1.00 2.65 C ATOM 0 H THR A 83 -24.073 -20.039 -20.806 1.00 1.64 H new ATOM 0 HA THR A 83 -26.823 -20.745 -20.085 1.00 1.83 H new ATOM 0 HB THR A 83 -27.231 -18.569 -21.698 1.00 2.14 H new ATOM 0 HG1 THR A 83 -25.337 -17.557 -19.837 1.00 2.59 H new ATOM 0 HG21 THR A 83 -27.918 -17.359 -19.664 1.00 2.65 H new ATOM 0 HG22 THR A 83 -28.443 -19.059 -19.626 1.00 2.65 H new ATOM 0 HG23 THR A 83 -27.036 -18.541 -18.667 1.00 2.65 H new ATOM 1288 N ARG A 84 -25.334 -20.215 -23.004 1.00 2.19 N ATOM 1289 CA ARG A 84 -25.289 -20.655 -24.391 1.00 2.75 C ATOM 1290 C ARG A 84 -23.928 -21.246 -24.731 1.00 3.36 C ATOM 1291 O ARG A 84 -23.042 -20.553 -25.235 1.00 4.13 O ATOM 1292 CB ARG A 84 -25.605 -19.489 -25.330 1.00 3.41 C ATOM 1293 CG ARG A 84 -27.080 -19.138 -25.379 1.00 3.80 C ATOM 1294 CD ARG A 84 -27.742 -19.690 -26.628 1.00 4.57 C ATOM 1295 NE ARG A 84 -27.656 -18.758 -27.749 1.00 5.32 N ATOM 1296 CZ ARG A 84 -27.730 -19.121 -29.029 1.00 6.20 C ATOM 1297 NH1 ARG A 84 -27.867 -20.403 -29.355 1.00 6.48 N ATOM 1298 NH2 ARG A 84 -27.668 -18.202 -29.985 1.00 7.09 N ATOM 0 H ARG A 84 -24.667 -19.479 -22.773 1.00 2.19 H new ATOM 0 HA ARG A 84 -26.043 -21.431 -24.524 1.00 2.75 H new ATOM 0 HB2 ARG A 84 -25.041 -18.612 -25.011 1.00 3.41 H new ATOM 0 HB3 ARG A 84 -25.265 -19.739 -26.335 1.00 3.41 H new ATOM 0 HG2 ARG A 84 -27.579 -19.536 -24.495 1.00 3.80 H new ATOM 0 HG3 ARG A 84 -27.198 -18.055 -25.352 1.00 3.80 H new ATOM 0 HD2 ARG A 84 -27.269 -20.633 -26.903 1.00 4.57 H new ATOM 0 HD3 ARG A 84 -28.789 -19.908 -26.417 1.00 4.57 H new ATOM 0 HE ARG A 84 -27.532 -17.768 -27.539 1.00 5.32 H new ATOM 0 HH11 ARG A 84 -27.916 -21.113 -28.624 1.00 6.48 H new ATOM 0 HH12 ARG A 84 -27.923 -20.677 -30.336 1.00 6.48 H new ATOM 0 HH21 ARG A 84 -27.564 -17.217 -29.740 1.00 7.09 H new ATOM 0 HH22 ARG A 84 -27.725 -18.481 -30.965 1.00 7.09 H new ATOM 1312 N SER A 85 -23.759 -22.523 -24.441 1.00 3.58 N ATOM 1313 CA SER A 85 -22.521 -23.218 -24.750 1.00 4.69 C ATOM 1314 C SER A 85 -22.798 -24.385 -25.692 1.00 5.43 C ATOM 1315 O SER A 85 -23.990 -24.672 -25.940 1.00 5.80 O ATOM 1316 CB SER A 85 -21.863 -23.708 -23.459 1.00 5.10 C ATOM 1317 OG SER A 85 -22.124 -22.808 -22.393 1.00 4.66 O ATOM 1318 OXT SER A 85 -21.833 -24.993 -26.194 1.00 5.98 O ATOM 0 H SER A 85 -24.466 -23.103 -23.990 1.00 3.58 H new ATOM 0 HA SER A 85 -21.837 -22.530 -25.247 1.00 4.69 H new ATOM 0 HB2 SER A 85 -22.240 -24.699 -23.206 1.00 5.10 H new ATOM 0 HB3 SER A 85 -20.787 -23.804 -23.606 1.00 5.10 H new ATOM 0 HG SER A 85 -22.854 -23.158 -21.841 1.00 4.66 H new TER 1324 SER A 85