USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 778 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 Single : A 1 MET CE :methyl -173:sc=-0.00238 (180deg=-0.0762) USER MOD Single : A 1 MET N :NH3+ -136:sc= -0.139 (180deg=-0.496) USER MOD Single : A 3 THR OG1 : rot 2:sc= 0.388 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0.396 K(o=0.4,f=-5.8!) USER MOD Single : A 14 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00195) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 25 LYS NZ :NH3+ 167:sc= 0.0292 (180deg=0.00978) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HE2:sc= 0.556 K(o=0.56,f=-4.2!) USER MOD Single : A 46 LYS NZ :NH3+ 169:sc=-0.00078 (180deg=-0.124) USER MOD Single : A 48 MET CE :methyl 155:sc= 0 (180deg=-0.475) USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 50 MET CE :methyl -172:sc= -0.0529 (180deg=-0.197) USER MOD Single : A 51 GLN : amide:sc= -0.522 X(o=-0.52,f=-0.046) USER MOD Single : A 53 LYS NZ :NH3+ -177:sc= -0.285 (180deg=-0.316) USER MOD Single : A 57 TYR OH : rot 180:sc= 0.402 USER MOD Single : A 58 SER OG : rot 76:sc= 0.918 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 170:sc= -0.0783 (180deg=-0.25) USER MOD Single : A 75 GLN : amide:sc= 0.519 K(o=0.52,f=-0.36) USER MOD Single : A 78 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 80 HIS : no HD1:sc= -0.187 X(o=-0.19,f=-0.36) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 168:sc=-0.00341 (180deg=-0.135) USER MOD Single : A 87 GLN : amide:sc= 0.544 K(o=0.54,f=-0.043) USER MOD Single : A 88 HIS : no HE2:sc= 1 K(o=1,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.659 -4.265 10.428 1.00 -0.46 N ATOM 2 CA MET A 1 -14.778 -3.736 9.079 1.00 0.04 C ATOM 3 C MET A 1 -13.400 -3.302 8.573 1.00 0.62 C ATOM 4 O MET A 1 -13.227 -2.175 8.112 1.00 -0.50 O ATOM 5 CB MET A 1 -15.798 -2.588 9.058 1.00 -0.15 C ATOM 6 CG MET A 1 -17.179 -3.046 9.545 1.00 -0.05 C ATOM 7 SD MET A 1 -18.512 -1.822 9.395 1.00 0.74 S ATOM 8 CE MET A 1 -17.879 -0.466 10.415 1.00 -0.13 C ATOM 0 H1 MET A 1 -15.222 -5.136 10.510 1.00 -0.46 H new ATOM 0 H2 MET A 1 -13.661 -4.477 10.631 1.00 -0.46 H new ATOM 0 H3 MET A 1 -15.009 -3.561 11.109 1.00 -0.46 H new ATOM 0 HA MET A 1 -15.146 -4.508 8.403 1.00 0.04 H new ATOM 0 HB2 MET A 1 -15.442 -1.773 9.688 1.00 -0.15 H new ATOM 0 HB3 MET A 1 -15.882 -2.194 8.045 1.00 -0.15 H new ATOM 0 HG2 MET A 1 -17.464 -3.937 8.986 1.00 -0.05 H new ATOM 0 HG3 MET A 1 -17.096 -3.339 10.591 1.00 -0.05 H new ATOM 0 HE1 MET A 1 -18.646 0.302 10.516 1.00 -0.13 H new ATOM 0 HE2 MET A 1 -17.614 -0.846 11.402 1.00 -0.13 H new ATOM 0 HE3 MET A 1 -16.996 -0.037 9.942 1.00 -0.13 H new ATOM 18 N PHE A 2 -12.422 -4.212 8.667 1.00 -0.46 N ATOM 19 CA PHE A 2 -11.041 -4.031 8.227 1.00 0.04 C ATOM 20 C PHE A 2 -10.321 -2.917 9.002 1.00 0.62 C ATOM 21 O PHE A 2 -10.934 -2.157 9.750 1.00 -0.50 O ATOM 22 CB PHE A 2 -10.969 -3.821 6.706 1.00 -0.10 C ATOM 23 CG PHE A 2 -11.820 -4.790 5.903 1.00 -0.10 C ATOM 24 CD1 PHE A 2 -11.472 -6.152 5.831 1.00 -0.15 C ATOM 25 CD2 PHE A 2 -13.020 -4.349 5.317 1.00 -0.15 C ATOM 26 CE1 PHE A 2 -12.325 -7.063 5.183 1.00 -0.15 C ATOM 27 CE2 PHE A 2 -13.856 -5.253 4.643 1.00 -0.15 C ATOM 28 CZ PHE A 2 -13.517 -6.615 4.588 1.00 -0.15 C ATOM 0 H PHE A 2 -12.584 -5.135 9.071 1.00 -0.46 H new ATOM 0 HA PHE A 2 -10.505 -4.952 8.456 1.00 0.04 H new ATOM 0 HB2 PHE A 2 -11.282 -2.803 6.476 1.00 -0.10 H new ATOM 0 HB3 PHE A 2 -9.931 -3.915 6.386 1.00 -0.10 H new ATOM 0 HD1 PHE A 2 -10.549 -6.498 6.274 1.00 -0.15 H new ATOM 0 HD2 PHE A 2 -13.300 -3.308 5.386 1.00 -0.15 H new ATOM 0 HE1 PHE A 2 -12.063 -8.110 5.142 1.00 -0.15 H new ATOM 0 HE2 PHE A 2 -14.759 -4.901 4.167 1.00 -0.15 H new ATOM 0 HZ PHE A 2 -14.170 -7.316 4.090 1.00 -0.15 H new ATOM 38 N THR A 3 -8.996 -2.841 8.844 1.00 -0.46 N ATOM 39 CA THR A 3 -8.152 -1.826 9.464 1.00 0.04 C ATOM 40 C THR A 3 -6.922 -1.667 8.574 1.00 0.62 C ATOM 41 O THR A 3 -5.921 -2.355 8.769 1.00 -0.50 O ATOM 42 CB THR A 3 -7.779 -2.225 10.906 1.00 0.17 C ATOM 43 OG1 THR A 3 -8.929 -2.308 11.724 1.00 -0.55 O ATOM 44 CG2 THR A 3 -6.851 -1.197 11.560 1.00 -0.19 C ATOM 0 H THR A 3 -8.473 -3.500 8.268 1.00 -0.46 H new ATOM 0 HA THR A 3 -8.677 -0.874 9.546 1.00 0.04 H new ATOM 0 HB THR A 3 -7.281 -3.191 10.828 1.00 0.17 H new ATOM 0 HG1 THR A 3 -9.727 -2.123 11.186 1.00 -0.55 H new ATOM 0 HG21 THR A 3 -6.612 -1.516 12.575 1.00 -0.19 H new ATOM 0 HG22 THR A 3 -5.932 -1.115 10.980 1.00 -0.19 H new ATOM 0 HG23 THR A 3 -7.347 -0.227 11.592 1.00 -0.19 H new ATOM 52 N ILE A 4 -7.002 -0.771 7.582 1.00 -0.46 N ATOM 53 CA ILE A 4 -5.896 -0.511 6.676 1.00 0.04 C ATOM 54 C ILE A 4 -4.950 0.461 7.384 1.00 0.62 C ATOM 55 O ILE A 4 -5.218 1.660 7.446 1.00 -0.50 O ATOM 56 CB ILE A 4 -6.396 -0.019 5.303 1.00 -0.01 C ATOM 57 CG1 ILE A 4 -7.281 -1.065 4.592 1.00 -0.05 C ATOM 58 CG2 ILE A 4 -5.194 0.273 4.394 1.00 -0.09 C ATOM 59 CD1 ILE A 4 -8.758 -1.031 5.004 1.00 -0.09 C ATOM 0 H ILE A 4 -7.834 -0.213 7.392 1.00 -0.46 H new ATOM 0 HA ILE A 4 -5.346 -1.424 6.446 1.00 0.04 H new ATOM 0 HB ILE A 4 -6.989 0.877 5.483 1.00 -0.01 H new ATOM 0 HG12 ILE A 4 -7.213 -0.909 3.515 1.00 -0.05 H new ATOM 0 HG13 ILE A 4 -6.882 -2.059 4.796 1.00 -0.05 H new ATOM 0 HG21 ILE A 4 -5.548 0.621 3.423 1.00 -0.09 H new ATOM 0 HG22 ILE A 4 -4.571 1.042 4.850 1.00 -0.09 H new ATOM 0 HG23 ILE A 4 -4.608 -0.637 4.262 1.00 -0.09 H new ATOM 0 HD11 ILE A 4 -9.306 -1.798 4.457 1.00 -0.09 H new ATOM 0 HD12 ILE A 4 -8.842 -1.219 6.074 1.00 -0.09 H new ATOM 0 HD13 ILE A 4 -9.177 -0.052 4.774 1.00 -0.09 H new ATOM 71 N ASN A 5 -3.858 -0.080 7.940 1.00 -0.46 N ATOM 72 CA ASN A 5 -2.854 0.661 8.693 1.00 0.04 C ATOM 73 C ASN A 5 -1.960 1.441 7.729 1.00 0.62 C ATOM 74 O ASN A 5 -0.814 1.062 7.488 1.00 -0.50 O ATOM 75 CB ASN A 5 -2.038 -0.310 9.557 1.00 -0.09 C ATOM 76 CG ASN A 5 -2.906 -1.024 10.591 1.00 0.68 C ATOM 77 OD1 ASN A 5 -3.189 -2.212 10.454 1.00 -0.47 O ATOM 78 ND2 ASN A 5 -3.325 -0.302 11.632 1.00 -0.87 N ATOM 0 H ASN A 5 -3.648 -1.076 7.873 1.00 -0.46 H new ATOM 0 HA ASN A 5 -3.339 1.377 9.356 1.00 0.04 H new ATOM 0 HB2 ASN A 5 -1.556 -1.048 8.916 1.00 -0.09 H new ATOM 0 HB3 ASN A 5 -1.244 0.237 10.066 1.00 -0.09 H new ATOM 0 HD21 ASN A 5 -3.903 -0.734 12.353 1.00 -0.87 H new ATOM 0 HD22 ASN A 5 -3.067 0.682 11.707 1.00 -0.87 H new ATOM 85 N ALA A 6 -2.499 2.531 7.175 1.00 -0.46 N ATOM 86 CA ALA A 6 -1.816 3.369 6.205 1.00 0.04 C ATOM 87 C ALA A 6 -0.993 4.456 6.893 1.00 0.62 C ATOM 88 O ALA A 6 -1.111 4.684 8.098 1.00 -0.50 O ATOM 89 CB ALA A 6 -2.854 4.006 5.280 1.00 -0.10 C ATOM 0 H ALA A 6 -3.440 2.855 7.397 1.00 -0.46 H new ATOM 0 HA ALA A 6 -1.130 2.749 5.628 1.00 0.04 H new ATOM 0 HB1 ALA A 6 -2.350 4.637 4.548 1.00 -0.10 H new ATOM 0 HB2 ALA A 6 -3.410 3.224 4.763 1.00 -0.10 H new ATOM 0 HB3 ALA A 6 -3.543 4.612 5.869 1.00 -0.10 H new ATOM 95 N GLU A 7 -0.182 5.152 6.094 1.00 -0.46 N ATOM 96 CA GLU A 7 0.524 6.359 6.486 1.00 0.04 C ATOM 97 C GLU A 7 0.501 7.311 5.292 1.00 0.62 C ATOM 98 O GLU A 7 0.390 6.869 4.147 1.00 -0.50 O ATOM 99 CB GLU A 7 1.952 5.997 6.924 1.00 -0.18 C ATOM 100 CG GLU A 7 2.686 7.181 7.568 1.00 -0.40 C ATOM 101 CD GLU A 7 4.067 6.779 8.080 1.00 0.71 C ATOM 102 OE1 GLU A 7 4.122 5.839 8.902 1.00 -0.72 O ATOM 103 OE2 GLU A 7 5.045 7.425 7.647 1.00 -0.72 O ATOM 0 H GLU A 7 0.003 4.878 5.129 1.00 -0.46 H new ATOM 0 HA GLU A 7 0.050 6.850 7.336 1.00 0.04 H new ATOM 0 HB2 GLU A 7 1.913 5.169 7.632 1.00 -0.18 H new ATOM 0 HB3 GLU A 7 2.517 5.650 6.059 1.00 -0.18 H new ATOM 0 HG2 GLU A 7 2.788 7.985 6.840 1.00 -0.40 H new ATOM 0 HG3 GLU A 7 2.091 7.572 8.394 1.00 -0.40 H new ATOM 110 N VAL A 8 0.598 8.618 5.561 1.00 -0.46 N ATOM 111 CA VAL A 8 0.732 9.632 4.524 1.00 0.04 C ATOM 112 C VAL A 8 1.961 9.325 3.665 1.00 0.62 C ATOM 113 O VAL A 8 2.962 8.822 4.171 1.00 -0.50 O ATOM 114 CB VAL A 8 0.786 11.045 5.133 1.00 -0.01 C ATOM 115 CG1 VAL A 8 -0.519 11.363 5.875 1.00 -0.09 C ATOM 116 CG2 VAL A 8 1.980 11.251 6.077 1.00 -0.09 C ATOM 0 H VAL A 8 0.585 8.997 6.508 1.00 -0.46 H new ATOM 0 HA VAL A 8 -0.147 9.607 3.880 1.00 0.04 H new ATOM 0 HB VAL A 8 0.915 11.732 4.296 1.00 -0.01 H new ATOM 0 HG11 VAL A 8 -0.462 12.366 6.298 1.00 -0.09 H new ATOM 0 HG12 VAL A 8 -1.356 11.311 5.178 1.00 -0.09 H new ATOM 0 HG13 VAL A 8 -0.668 10.639 6.676 1.00 -0.09 H new ATOM 0 HG21 VAL A 8 1.960 12.267 6.472 1.00 -0.09 H new ATOM 0 HG22 VAL A 8 1.920 10.540 6.901 1.00 -0.09 H new ATOM 0 HG23 VAL A 8 2.909 11.093 5.529 1.00 -0.09 H new ATOM 126 N ARG A 9 1.866 9.594 2.358 1.00 -0.46 N ATOM 127 CA ARG A 9 2.909 9.254 1.406 1.00 0.04 C ATOM 128 C ARG A 9 4.144 10.124 1.657 1.00 0.62 C ATOM 129 O ARG A 9 4.214 11.255 1.176 1.00 -0.50 O ATOM 130 CB ARG A 9 2.360 9.415 -0.020 1.00 -0.08 C ATOM 131 CG ARG A 9 3.393 9.117 -1.114 1.00 -0.10 C ATOM 132 CD ARG A 9 3.845 7.652 -1.111 1.00 -0.23 C ATOM 133 NE ARG A 9 4.904 7.427 -2.101 1.00 -0.32 N ATOM 134 CZ ARG A 9 4.748 7.380 -3.432 1.00 0.76 C ATOM 135 NH1 ARG A 9 3.533 7.474 -3.992 1.00 -0.62 N ATOM 136 NH2 ARG A 9 5.834 7.239 -4.200 1.00 -0.62 N ATOM 0 H ARG A 9 1.059 10.055 1.938 1.00 -0.46 H new ATOM 0 HA ARG A 9 3.217 8.216 1.530 1.00 0.04 H new ATOM 0 HB2 ARG A 9 1.506 8.751 -0.148 1.00 -0.08 H new ATOM 0 HB3 ARG A 9 1.993 10.434 -0.146 1.00 -0.08 H new ATOM 0 HG2 ARG A 9 2.967 9.361 -2.087 1.00 -0.10 H new ATOM 0 HG3 ARG A 9 4.261 9.762 -0.975 1.00 -0.10 H new ATOM 0 HD2 ARG A 9 4.206 7.381 -0.119 1.00 -0.23 H new ATOM 0 HD3 ARG A 9 2.995 7.005 -1.329 1.00 -0.23 H new ATOM 0 HE ARG A 9 5.850 7.294 -1.743 1.00 -0.32 H new ATOM 0 HH11 ARG A 9 2.707 7.583 -3.403 1.00 -0.62 H new ATOM 0 HH12 ARG A 9 3.435 7.436 -5.007 1.00 -0.62 H new ATOM 0 HH21 ARG A 9 6.757 7.170 -3.771 1.00 -0.62 H new ATOM 0 HH22 ARG A 9 5.739 7.201 -5.215 1.00 -0.62 H new ATOM 150 N LYS A 10 5.112 9.594 2.415 1.00 -0.46 N ATOM 151 CA LYS A 10 6.357 10.281 2.725 1.00 0.04 C ATOM 152 C LYS A 10 7.419 9.252 3.120 1.00 0.62 C ATOM 153 O LYS A 10 7.648 9.002 4.302 1.00 -0.50 O ATOM 154 CB LYS A 10 6.115 11.339 3.817 1.00 -0.10 C ATOM 155 CG LYS A 10 7.285 12.325 3.952 1.00 -0.16 C ATOM 156 CD LYS A 10 7.277 13.364 2.821 1.00 -0.18 C ATOM 157 CE LYS A 10 8.447 14.342 2.965 1.00 -0.04 C ATOM 158 NZ LYS A 10 8.423 15.366 1.905 1.00 -0.14 N ATOM 0 H LYS A 10 5.045 8.665 2.832 1.00 -0.46 H new ATOM 0 HA LYS A 10 6.727 10.812 1.848 1.00 0.04 H new ATOM 0 HB2 LYS A 10 5.204 11.891 3.587 1.00 -0.10 H new ATOM 0 HB3 LYS A 10 5.953 10.840 4.772 1.00 -0.10 H new ATOM 0 HG2 LYS A 10 7.225 12.833 4.915 1.00 -0.16 H new ATOM 0 HG3 LYS A 10 8.227 11.777 3.938 1.00 -0.16 H new ATOM 0 HD2 LYS A 10 7.338 12.858 1.857 1.00 -0.18 H new ATOM 0 HD3 LYS A 10 6.336 13.913 2.834 1.00 -0.18 H new ATOM 0 HE2 LYS A 10 8.402 14.825 3.941 1.00 -0.04 H new ATOM 0 HE3 LYS A 10 9.389 13.794 2.923 1.00 -0.04 H new ATOM 0 HZ1 LYS A 10 9.227 16.013 2.029 1.00 -0.14 H new ATOM 0 HZ2 LYS A 10 8.490 14.905 0.975 1.00 -0.14 H new ATOM 0 HZ3 LYS A 10 7.534 15.903 1.961 1.00 -0.14 H new ATOM 172 N GLU A 11 8.080 8.671 2.112 1.00 -0.46 N ATOM 173 CA GLU A 11 9.147 7.695 2.271 1.00 0.04 C ATOM 174 C GLU A 11 10.438 8.382 2.750 1.00 0.62 C ATOM 175 O GLU A 11 11.376 8.576 1.980 1.00 -0.50 O ATOM 176 CB GLU A 11 9.325 6.884 0.972 1.00 -0.18 C ATOM 177 CG GLU A 11 9.421 7.705 -0.329 1.00 -0.40 C ATOM 178 CD GLU A 11 8.068 7.931 -1.008 1.00 0.71 C ATOM 179 OE1 GLU A 11 7.362 8.875 -0.592 1.00 -0.72 O ATOM 180 OE2 GLU A 11 7.754 7.163 -1.945 1.00 -0.72 O ATOM 0 H GLU A 11 7.875 8.879 1.135 1.00 -0.46 H new ATOM 0 HA GLU A 11 8.879 6.978 3.047 1.00 0.04 H new ATOM 0 HB2 GLU A 11 10.228 6.280 1.065 1.00 -0.18 H new ATOM 0 HB3 GLU A 11 8.487 6.193 0.881 1.00 -0.18 H new ATOM 0 HG2 GLU A 11 9.873 8.672 -0.107 1.00 -0.40 H new ATOM 0 HG3 GLU A 11 10.087 7.193 -1.024 1.00 -0.40 H new ATOM 187 N GLN A 12 10.464 8.750 4.038 1.00 -0.46 N ATOM 188 CA GLN A 12 11.547 9.471 4.704 1.00 0.04 C ATOM 189 C GLN A 12 12.248 8.590 5.745 1.00 0.62 C ATOM 190 O GLN A 12 11.876 7.437 5.956 1.00 -0.50 O ATOM 191 CB GLN A 12 10.974 10.750 5.346 1.00 -0.10 C ATOM 192 CG GLN A 12 11.240 11.991 4.483 1.00 -0.10 C ATOM 193 CD GLN A 12 12.719 12.384 4.446 1.00 0.68 C ATOM 194 OE1 GLN A 12 13.548 11.825 5.163 1.00 -0.47 O ATOM 195 NE2 GLN A 12 13.060 13.350 3.591 1.00 -0.87 N ATOM 0 H GLN A 12 9.692 8.541 4.670 1.00 -0.46 H new ATOM 0 HA GLN A 12 12.302 9.745 3.967 1.00 0.04 H new ATOM 0 HB2 GLN A 12 9.900 10.633 5.493 1.00 -0.10 H new ATOM 0 HB3 GLN A 12 11.417 10.891 6.332 1.00 -0.10 H new ATOM 0 HG2 GLN A 12 10.894 11.802 3.467 1.00 -0.10 H new ATOM 0 HG3 GLN A 12 10.656 12.827 4.868 1.00 -0.10 H new ATOM 0 HE21 GLN A 12 12.347 13.793 3.011 1.00 -0.87 H new ATOM 0 HE22 GLN A 12 14.033 13.646 3.517 1.00 -0.87 H new ATOM 204 N GLY A 13 13.273 9.163 6.390 1.00 -0.46 N ATOM 205 CA GLY A 13 14.058 8.536 7.443 1.00 0.04 C ATOM 206 C GLY A 13 15.381 8.014 6.891 1.00 0.62 C ATOM 207 O GLY A 13 15.721 6.853 7.103 1.00 -0.50 O ATOM 0 H GLY A 13 13.584 10.111 6.179 1.00 -0.46 H new ATOM 0 HA2 GLY A 13 14.249 9.256 8.239 1.00 0.04 H new ATOM 0 HA3 GLY A 13 13.493 7.715 7.885 1.00 0.04 H new ATOM 211 N LYS A 14 16.119 8.884 6.185 1.00 -0.46 N ATOM 212 CA LYS A 14 17.372 8.566 5.508 1.00 0.04 C ATOM 213 C LYS A 14 17.226 7.310 4.641 1.00 0.62 C ATOM 214 O LYS A 14 17.950 6.333 4.830 1.00 -0.50 O ATOM 215 CB LYS A 14 18.531 8.436 6.511 1.00 -0.10 C ATOM 216 CG LYS A 14 18.751 9.707 7.339 1.00 -0.16 C ATOM 217 CD LYS A 14 20.072 9.585 8.113 1.00 -0.18 C ATOM 218 CE LYS A 14 20.354 10.809 8.992 1.00 -0.04 C ATOM 219 NZ LYS A 14 19.432 10.892 10.138 1.00 -0.14 N ATOM 0 H LYS A 14 15.845 9.860 6.070 1.00 -0.46 H new ATOM 0 HA LYS A 14 17.614 9.395 4.843 1.00 0.04 H new ATOM 0 HB2 LYS A 14 18.331 7.601 7.183 1.00 -0.10 H new ATOM 0 HB3 LYS A 14 19.447 8.198 5.971 1.00 -0.10 H new ATOM 0 HG2 LYS A 14 18.777 10.580 6.687 1.00 -0.16 H new ATOM 0 HG3 LYS A 14 17.922 9.852 8.032 1.00 -0.16 H new ATOM 0 HD2 LYS A 14 20.042 8.692 8.738 1.00 -0.18 H new ATOM 0 HD3 LYS A 14 20.892 9.452 7.407 1.00 -0.18 H new ATOM 0 HE2 LYS A 14 21.381 10.765 9.356 1.00 -0.04 H new ATOM 0 HE3 LYS A 14 20.267 11.714 8.391 1.00 -0.04 H new ATOM 0 HZ1 LYS A 14 19.669 11.724 10.715 1.00 -0.14 H new ATOM 0 HZ2 LYS A 14 18.455 10.977 9.792 1.00 -0.14 H new ATOM 0 HZ3 LYS A 14 19.520 10.033 10.717 1.00 -0.14 H new ATOM 233 N GLY A 15 16.280 7.336 3.695 1.00 -0.46 N ATOM 234 CA GLY A 15 15.982 6.199 2.841 1.00 0.04 C ATOM 235 C GLY A 15 15.367 6.667 1.526 1.00 0.62 C ATOM 236 O GLY A 15 14.440 7.474 1.529 1.00 -0.50 O ATOM 0 H GLY A 15 15.701 8.154 3.506 1.00 -0.46 H new ATOM 0 HA2 GLY A 15 16.894 5.636 2.643 1.00 0.04 H new ATOM 0 HA3 GLY A 15 15.295 5.524 3.351 1.00 0.04 H new ATOM 240 N ALA A 16 15.886 6.144 0.409 1.00 -0.46 N ATOM 241 CA ALA A 16 15.341 6.368 -0.922 1.00 0.04 C ATOM 242 C ALA A 16 14.148 5.439 -1.166 1.00 0.62 C ATOM 243 O ALA A 16 13.905 4.514 -0.392 1.00 -0.50 O ATOM 244 CB ALA A 16 16.444 6.136 -1.960 1.00 -0.10 C ATOM 0 H ALA A 16 16.711 5.544 0.412 1.00 -0.46 H new ATOM 0 HA ALA A 16 14.986 7.395 -1.009 1.00 0.04 H new ATOM 0 HB1 ALA A 16 16.043 6.302 -2.960 1.00 -0.10 H new ATOM 0 HB2 ALA A 16 17.266 6.829 -1.779 1.00 -0.10 H new ATOM 0 HB3 ALA A 16 16.809 5.112 -1.881 1.00 -0.10 H new ATOM 250 N SER A 17 13.410 5.687 -2.253 1.00 -0.46 N ATOM 251 CA SER A 17 12.229 4.916 -2.622 1.00 0.04 C ATOM 252 C SER A 17 12.570 3.437 -2.830 1.00 0.62 C ATOM 253 O SER A 17 11.895 2.571 -2.276 1.00 -0.50 O ATOM 254 CB SER A 17 11.596 5.526 -3.879 1.00 0.02 C ATOM 255 OG SER A 17 10.406 4.846 -4.217 1.00 -0.55 O ATOM 0 H SER A 17 13.623 6.440 -2.907 1.00 -0.46 H new ATOM 0 HA SER A 17 11.508 4.961 -1.806 1.00 0.04 H new ATOM 0 HB2 SER A 17 11.382 6.581 -3.709 1.00 0.02 H new ATOM 0 HB3 SER A 17 12.300 5.473 -4.710 1.00 0.02 H new ATOM 0 HG SER A 17 10.015 5.250 -5.020 1.00 -0.55 H new ATOM 261 N ARG A 18 13.611 3.157 -3.628 1.00 -0.46 N ATOM 262 CA ARG A 18 14.015 1.813 -4.024 1.00 0.04 C ATOM 263 C ARG A 18 12.815 1.040 -4.595 1.00 0.62 C ATOM 264 O ARG A 18 12.150 1.534 -5.505 1.00 -0.50 O ATOM 265 CB ARG A 18 14.723 1.083 -2.865 1.00 -0.08 C ATOM 266 CG ARG A 18 16.025 1.762 -2.428 1.00 -0.10 C ATOM 267 CD ARG A 18 16.742 0.861 -1.414 1.00 -0.23 C ATOM 268 NE ARG A 18 18.109 1.326 -1.144 1.00 -0.32 N ATOM 269 CZ ARG A 18 19.085 0.568 -0.610 1.00 0.76 C ATOM 270 NH1 ARG A 18 18.838 -0.686 -0.204 1.00 -0.62 N ATOM 271 NH2 ARG A 18 20.321 1.070 -0.487 1.00 -0.62 N ATOM 0 H ARG A 18 14.207 3.884 -4.023 1.00 -0.46 H new ATOM 0 HA ARG A 18 14.751 1.880 -4.825 1.00 0.04 H new ATOM 0 HB2 ARG A 18 14.046 1.027 -2.012 1.00 -0.08 H new ATOM 0 HB3 ARG A 18 14.939 0.059 -3.168 1.00 -0.08 H new ATOM 0 HG2 ARG A 18 16.665 1.940 -3.292 1.00 -0.10 H new ATOM 0 HG3 ARG A 18 15.812 2.734 -1.983 1.00 -0.10 H new ATOM 0 HD2 ARG A 18 16.175 0.838 -0.483 1.00 -0.23 H new ATOM 0 HD3 ARG A 18 16.773 -0.160 -1.793 1.00 -0.23 H new ATOM 0 HE ARG A 18 18.335 2.293 -1.378 1.00 -0.32 H new ATOM 0 HH11 ARG A 18 17.901 -1.077 -0.298 1.00 -0.62 H new ATOM 0 HH12 ARG A 18 19.587 -1.249 0.199 1.00 -0.62 H new ATOM 0 HH21 ARG A 18 20.518 2.021 -0.797 1.00 -0.62 H new ATOM 0 HH22 ARG A 18 21.065 0.501 -0.083 1.00 -0.62 H new ATOM 285 N ARG A 19 12.526 -0.153 -4.058 1.00 -0.46 N ATOM 286 CA ARG A 19 11.348 -0.925 -4.405 1.00 0.04 C ATOM 287 C ARG A 19 10.153 -0.333 -3.663 1.00 0.62 C ATOM 288 O ARG A 19 10.156 -0.269 -2.435 1.00 -0.50 O ATOM 289 CB ARG A 19 11.550 -2.400 -4.032 1.00 -0.08 C ATOM 290 CG ARG A 19 12.621 -3.051 -4.916 1.00 -0.10 C ATOM 291 CD ARG A 19 12.755 -4.540 -4.585 1.00 -0.23 C ATOM 292 NE ARG A 19 13.734 -5.188 -5.470 1.00 -0.32 N ATOM 293 CZ ARG A 19 14.051 -6.493 -5.440 1.00 0.76 C ATOM 294 NH1 ARG A 19 13.482 -7.315 -4.547 1.00 -0.62 N ATOM 295 NH2 ARG A 19 14.943 -6.978 -6.313 1.00 -0.62 N ATOM 0 H ARG A 19 13.118 -0.606 -3.362 1.00 -0.46 H new ATOM 0 HA ARG A 19 11.170 -0.880 -5.479 1.00 0.04 H new ATOM 0 HB2 ARG A 19 11.842 -2.477 -2.985 1.00 -0.08 H new ATOM 0 HB3 ARG A 19 10.608 -2.938 -4.140 1.00 -0.08 H new ATOM 0 HG2 ARG A 19 12.358 -2.928 -5.967 1.00 -0.10 H new ATOM 0 HG3 ARG A 19 13.578 -2.551 -4.766 1.00 -0.10 H new ATOM 0 HD2 ARG A 19 13.063 -4.659 -3.546 1.00 -0.23 H new ATOM 0 HD3 ARG A 19 11.786 -5.028 -4.689 1.00 -0.23 H new ATOM 0 HE ARG A 19 14.208 -4.603 -6.158 1.00 -0.32 H new ATOM 0 HH11 ARG A 19 12.801 -6.951 -3.881 1.00 -0.62 H new ATOM 0 HH12 ARG A 19 13.731 -8.304 -4.534 1.00 -0.62 H new ATOM 0 HH21 ARG A 19 15.378 -6.357 -6.996 1.00 -0.62 H new ATOM 0 HH22 ARG A 19 15.188 -7.968 -6.295 1.00 -0.62 H new ATOM 309 N LEU A 20 9.144 0.102 -4.421 1.00 -0.46 N ATOM 310 CA LEU A 20 7.923 0.691 -3.897 1.00 0.04 C ATOM 311 C LEU A 20 6.818 0.438 -4.922 1.00 0.62 C ATOM 312 O LEU A 20 5.908 -0.345 -4.658 1.00 -0.50 O ATOM 313 CB LEU A 20 8.156 2.187 -3.614 1.00 -0.06 C ATOM 314 CG LEU A 20 6.969 2.823 -2.874 1.00 -0.01 C ATOM 315 CD1 LEU A 20 7.226 2.828 -1.362 1.00 -0.11 C ATOM 316 CD2 LEU A 20 6.744 4.257 -3.357 1.00 -0.11 C ATOM 0 H LEU A 20 9.160 0.050 -5.440 1.00 -0.46 H new ATOM 0 HA LEU A 20 7.623 0.243 -2.950 1.00 0.04 H new ATOM 0 HB2 LEU A 20 9.061 2.307 -3.019 1.00 -0.06 H new ATOM 0 HB3 LEU A 20 8.321 2.713 -4.554 1.00 -0.06 H new ATOM 0 HG LEU A 20 6.078 2.231 -3.086 1.00 -0.01 H new ATOM 0 HD11 LEU A 20 6.377 3.281 -0.850 1.00 -0.11 H new ATOM 0 HD12 LEU A 20 7.356 1.804 -1.012 1.00 -0.11 H new ATOM 0 HD13 LEU A 20 8.127 3.402 -1.148 1.00 -0.11 H new ATOM 0 HD21 LEU A 20 5.900 4.693 -2.823 1.00 -0.11 H new ATOM 0 HD22 LEU A 20 7.639 4.850 -3.167 1.00 -0.11 H new ATOM 0 HD23 LEU A 20 6.533 4.252 -4.426 1.00 -0.11 H new ATOM 328 N ARG A 21 6.967 1.087 -6.087 1.00 -0.46 N ATOM 329 CA ARG A 21 6.139 1.089 -7.293 1.00 0.04 C ATOM 330 C ARG A 21 4.972 0.097 -7.246 1.00 0.62 C ATOM 331 O ARG A 21 3.822 0.509 -7.118 1.00 -0.50 O ATOM 332 CB ARG A 21 7.026 0.846 -8.528 1.00 -0.08 C ATOM 333 CG ARG A 21 7.922 2.026 -8.948 1.00 -0.10 C ATOM 334 CD ARG A 21 9.057 2.360 -7.968 1.00 -0.23 C ATOM 335 NE ARG A 21 10.160 3.076 -8.626 1.00 -0.32 N ATOM 336 CZ ARG A 21 10.172 4.384 -8.937 1.00 0.76 C ATOM 337 NH1 ARG A 21 9.113 5.165 -8.680 1.00 -0.62 N ATOM 338 NH2 ARG A 21 11.259 4.914 -9.516 1.00 -0.62 N ATOM 0 H ARG A 21 7.774 1.698 -6.216 1.00 -0.46 H new ATOM 0 HA ARG A 21 5.675 2.073 -7.358 1.00 0.04 H new ATOM 0 HB2 ARG A 21 7.662 -0.017 -8.332 1.00 -0.08 H new ATOM 0 HB3 ARG A 21 6.383 0.584 -9.369 1.00 -0.08 H new ATOM 0 HG2 ARG A 21 8.357 1.803 -9.922 1.00 -0.10 H new ATOM 0 HG3 ARG A 21 7.297 2.911 -9.072 1.00 -0.10 H new ATOM 0 HD2 ARG A 21 8.665 2.968 -7.153 1.00 -0.23 H new ATOM 0 HD3 ARG A 21 9.436 1.439 -7.525 1.00 -0.23 H new ATOM 0 HE ARG A 21 10.989 2.533 -8.868 1.00 -0.32 H new ATOM 0 HH11 ARG A 21 8.281 4.769 -8.242 1.00 -0.62 H new ATOM 0 HH12 ARG A 21 9.139 6.155 -8.922 1.00 -0.62 H new ATOM 0 HH21 ARG A 21 12.068 4.326 -9.717 1.00 -0.62 H new ATOM 0 HH22 ARG A 21 11.277 5.905 -9.756 1.00 -0.62 H new ATOM 352 N ALA A 22 5.270 -1.203 -7.347 1.00 -0.46 N ATOM 353 CA ALA A 22 4.293 -2.274 -7.208 1.00 0.04 C ATOM 354 C ALA A 22 4.975 -3.492 -6.582 1.00 0.62 C ATOM 355 O ALA A 22 4.939 -4.588 -7.140 1.00 -0.50 O ATOM 356 CB ALA A 22 3.671 -2.588 -8.574 1.00 -0.10 C ATOM 0 H ALA A 22 6.215 -1.540 -7.531 1.00 -0.46 H new ATOM 0 HA ALA A 22 3.480 -1.970 -6.548 1.00 0.04 H new ATOM 0 HB1 ALA A 22 2.941 -3.390 -8.466 1.00 -0.10 H new ATOM 0 HB2 ALA A 22 3.177 -1.697 -8.962 1.00 -0.10 H new ATOM 0 HB3 ALA A 22 4.453 -2.900 -9.267 1.00 -0.10 H new ATOM 362 N ALA A 23 5.615 -3.287 -5.423 1.00 -0.46 N ATOM 363 CA ALA A 23 6.371 -4.324 -4.736 1.00 0.04 C ATOM 364 C ALA A 23 6.368 -4.066 -3.227 1.00 0.62 C ATOM 365 O ALA A 23 5.349 -4.289 -2.575 1.00 -0.50 O ATOM 366 CB ALA A 23 7.779 -4.416 -5.345 1.00 -0.10 C ATOM 0 H ALA A 23 5.618 -2.389 -4.939 1.00 -0.46 H new ATOM 0 HA ALA A 23 5.902 -5.298 -4.875 1.00 0.04 H new ATOM 0 HB1 ALA A 23 8.347 -5.192 -4.832 1.00 -0.10 H new ATOM 0 HB2 ALA A 23 7.702 -4.663 -6.404 1.00 -0.10 H new ATOM 0 HB3 ALA A 23 8.288 -3.459 -5.231 1.00 -0.10 H new ATOM 372 N ASN A 24 7.502 -3.621 -2.667 1.00 -0.46 N ATOM 373 CA ASN A 24 7.675 -3.436 -1.234 1.00 0.04 C ATOM 374 C ASN A 24 6.959 -2.160 -0.792 1.00 0.62 C ATOM 375 O ASN A 24 7.542 -1.081 -0.837 1.00 -0.50 O ATOM 376 CB ASN A 24 9.175 -3.397 -0.906 1.00 -0.09 C ATOM 377 CG ASN A 24 9.450 -3.154 0.579 1.00 0.68 C ATOM 378 OD1 ASN A 24 8.639 -3.499 1.435 1.00 -0.47 O ATOM 379 ND2 ASN A 24 10.603 -2.560 0.889 1.00 -0.87 N ATOM 0 H ASN A 24 8.330 -3.379 -3.210 1.00 -0.46 H new ATOM 0 HA ASN A 24 7.233 -4.269 -0.687 1.00 0.04 H new ATOM 0 HB2 ASN A 24 9.633 -4.340 -1.206 1.00 -0.09 H new ATOM 0 HB3 ASN A 24 9.650 -2.611 -1.492 1.00 -0.09 H new ATOM 0 HD21 ASN A 24 10.837 -2.378 1.865 1.00 -0.87 H new ATOM 0 HD22 ASN A 24 11.251 -2.288 0.150 1.00 -0.87 H new ATOM 386 N LYS A 25 5.701 -2.310 -0.359 1.00 -0.46 N ATOM 387 CA LYS A 25 4.836 -1.250 0.142 1.00 0.04 C ATOM 388 C LYS A 25 4.406 -0.321 -0.996 1.00 0.62 C ATOM 389 O LYS A 25 4.920 0.788 -1.128 1.00 -0.50 O ATOM 390 CB LYS A 25 5.482 -0.465 1.298 1.00 -0.10 C ATOM 391 CG LYS A 25 5.873 -1.334 2.501 1.00 -0.16 C ATOM 392 CD LYS A 25 6.857 -0.594 3.418 1.00 -0.18 C ATOM 393 CE LYS A 25 6.296 0.754 3.892 1.00 -0.04 C ATOM 394 NZ LYS A 25 7.227 1.462 4.786 1.00 -0.14 N ATOM 0 H LYS A 25 5.242 -3.221 -0.351 1.00 -0.46 H new ATOM 0 HA LYS A 25 3.944 -1.724 0.552 1.00 0.04 H new ATOM 0 HB2 LYS A 25 6.371 0.044 0.926 1.00 -0.10 H new ATOM 0 HB3 LYS A 25 4.789 0.308 1.631 1.00 -0.10 H new ATOM 0 HG2 LYS A 25 4.980 -1.605 3.064 1.00 -0.16 H new ATOM 0 HG3 LYS A 25 6.324 -2.263 2.152 1.00 -0.16 H new ATOM 0 HD2 LYS A 25 7.085 -1.217 4.283 1.00 -0.18 H new ATOM 0 HD3 LYS A 25 7.795 -0.430 2.887 1.00 -0.18 H new ATOM 0 HE2 LYS A 25 6.080 1.380 3.026 1.00 -0.04 H new ATOM 0 HE3 LYS A 25 5.351 0.590 4.411 1.00 -0.04 H new ATOM 0 HZ1 LYS A 25 6.914 2.447 4.904 1.00 -0.14 H new ATOM 0 HZ2 LYS A 25 7.244 0.991 5.713 1.00 -0.14 H new ATOM 0 HZ3 LYS A 25 8.182 1.449 4.374 1.00 -0.14 H new ATOM 408 N PHE A 26 3.455 -0.771 -1.822 1.00 -0.46 N ATOM 409 CA PHE A 26 2.970 -0.010 -2.968 1.00 0.04 C ATOM 410 C PHE A 26 2.037 1.128 -2.516 1.00 0.62 C ATOM 411 O PHE A 26 1.375 1.004 -1.484 1.00 -0.50 O ATOM 412 CB PHE A 26 2.300 -0.962 -3.971 1.00 -0.10 C ATOM 413 CG PHE A 26 0.960 -1.503 -3.517 1.00 -0.10 C ATOM 414 CD1 PHE A 26 0.899 -2.599 -2.638 1.00 -0.15 C ATOM 415 CD2 PHE A 26 -0.220 -0.824 -3.865 1.00 -0.15 C ATOM 416 CE1 PHE A 26 -0.328 -2.969 -2.064 1.00 -0.15 C ATOM 417 CE2 PHE A 26 -1.435 -1.153 -3.243 1.00 -0.15 C ATOM 418 CZ PHE A 26 -1.489 -2.226 -2.336 1.00 -0.15 C ATOM 0 H PHE A 26 3.001 -1.678 -1.710 1.00 -0.46 H new ATOM 0 HA PHE A 26 3.810 0.466 -3.473 1.00 0.04 H new ATOM 0 HB2 PHE A 26 2.165 -0.438 -4.917 1.00 -0.10 H new ATOM 0 HB3 PHE A 26 2.971 -1.800 -4.163 1.00 -0.10 H new ATOM 0 HD1 PHE A 26 1.795 -3.155 -2.405 1.00 -0.15 H new ATOM 0 HD2 PHE A 26 -0.192 -0.046 -4.614 1.00 -0.15 H new ATOM 0 HE1 PHE A 26 -0.379 -3.828 -1.411 1.00 -0.15 H new ATOM 0 HE2 PHE A 26 -2.326 -0.583 -3.461 1.00 -0.15 H new ATOM 0 HZ PHE A 26 -2.420 -2.478 -1.850 1.00 -0.15 H new ATOM 428 N PRO A 27 1.978 2.246 -3.264 1.00 -0.23 N ATOM 429 CA PRO A 27 1.155 3.397 -2.922 1.00 0.04 C ATOM 430 C PRO A 27 -0.312 3.174 -3.306 1.00 0.53 C ATOM 431 O PRO A 27 -0.618 2.363 -4.177 1.00 -0.50 O ATOM 432 CB PRO A 27 1.766 4.564 -3.700 1.00 -0.12 C ATOM 433 CG PRO A 27 2.289 3.886 -4.965 1.00 -0.12 C ATOM 434 CD PRO A 27 2.779 2.535 -4.443 1.00 -0.01 C ATOM 0 HA PRO A 27 1.147 3.584 -1.848 1.00 0.04 H new ATOM 0 HB2 PRO A 27 1.026 5.331 -3.928 1.00 -0.12 H new ATOM 0 HB3 PRO A 27 2.566 5.049 -3.140 1.00 -0.12 H new ATOM 0 HG2 PRO A 27 1.507 3.771 -5.716 1.00 -0.12 H new ATOM 0 HG3 PRO A 27 3.094 4.457 -5.428 1.00 -0.12 H new ATOM 0 HD2 PRO A 27 2.657 1.758 -5.197 1.00 -0.01 H new ATOM 0 HD3 PRO A 27 3.839 2.574 -4.194 1.00 -0.01 H new ATOM 442 N ALA A 28 -1.215 3.913 -2.652 1.00 -0.46 N ATOM 443 CA ALA A 28 -2.652 3.866 -2.889 1.00 0.04 C ATOM 444 C ALA A 28 -3.225 5.281 -2.807 1.00 0.62 C ATOM 445 O ALA A 28 -2.544 6.190 -2.335 1.00 -0.50 O ATOM 446 CB ALA A 28 -3.297 2.940 -1.858 1.00 -0.10 C ATOM 0 H ALA A 28 -0.953 4.577 -1.924 1.00 -0.46 H new ATOM 0 HA ALA A 28 -2.863 3.473 -3.883 1.00 0.04 H new ATOM 0 HB1 ALA A 28 -4.373 2.899 -2.028 1.00 -0.10 H new ATOM 0 HB2 ALA A 28 -2.876 1.939 -1.954 1.00 -0.10 H new ATOM 0 HB3 ALA A 28 -3.103 3.320 -0.855 1.00 -0.10 H new ATOM 452 N ILE A 29 -4.460 5.469 -3.291 1.00 -0.46 N ATOM 453 CA ILE A 29 -5.106 6.775 -3.411 1.00 0.04 C ATOM 454 C ILE A 29 -6.504 6.718 -2.789 1.00 0.62 C ATOM 455 O ILE A 29 -7.157 5.675 -2.826 1.00 -0.50 O ATOM 456 CB ILE A 29 -5.136 7.203 -4.892 1.00 -0.01 C ATOM 457 CG1 ILE A 29 -3.695 7.427 -5.394 1.00 -0.05 C ATOM 458 CG2 ILE A 29 -5.970 8.474 -5.112 1.00 -0.09 C ATOM 459 CD1 ILE A 29 -3.605 7.805 -6.877 1.00 -0.09 C ATOM 0 H ILE A 29 -5.046 4.700 -3.615 1.00 -0.46 H new ATOM 0 HA ILE A 29 -4.539 7.529 -2.865 1.00 0.04 H new ATOM 0 HB ILE A 29 -5.610 6.402 -5.459 1.00 -0.01 H new ATOM 0 HG12 ILE A 29 -3.232 8.215 -4.800 1.00 -0.05 H new ATOM 0 HG13 ILE A 29 -3.117 6.519 -5.225 1.00 -0.05 H new ATOM 0 HG21 ILE A 29 -5.961 8.736 -6.170 1.00 -0.09 H new ATOM 0 HG22 ILE A 29 -6.996 8.296 -4.791 1.00 -0.09 H new ATOM 0 HG23 ILE A 29 -5.545 9.293 -4.532 1.00 -0.09 H new ATOM 0 HD11 ILE A 29 -2.560 7.946 -7.154 1.00 -0.09 H new ATOM 0 HD12 ILE A 29 -4.037 7.008 -7.482 1.00 -0.09 H new ATOM 0 HD13 ILE A 29 -4.154 8.731 -7.051 1.00 -0.09 H new ATOM 471 N ILE A 30 -6.952 7.848 -2.222 1.00 -0.46 N ATOM 472 CA ILE A 30 -8.283 8.018 -1.650 1.00 0.04 C ATOM 473 C ILE A 30 -9.020 9.108 -2.435 1.00 0.62 C ATOM 474 O ILE A 30 -8.767 10.294 -2.236 1.00 -0.50 O ATOM 475 CB ILE A 30 -8.188 8.358 -0.147 1.00 -0.01 C ATOM 476 CG1 ILE A 30 -7.469 7.250 0.645 1.00 -0.05 C ATOM 477 CG2 ILE A 30 -9.599 8.588 0.425 1.00 -0.09 C ATOM 478 CD1 ILE A 30 -7.136 7.685 2.078 1.00 -0.09 C ATOM 0 H ILE A 30 -6.378 8.688 -2.150 1.00 -0.46 H new ATOM 0 HA ILE A 30 -8.846 7.088 -1.729 1.00 0.04 H new ATOM 0 HB ILE A 30 -7.599 9.269 -0.046 1.00 -0.01 H new ATOM 0 HG12 ILE A 30 -8.098 6.360 0.674 1.00 -0.05 H new ATOM 0 HG13 ILE A 30 -6.550 6.974 0.128 1.00 -0.05 H new ATOM 0 HG21 ILE A 30 -9.527 8.828 1.486 1.00 -0.09 H new ATOM 0 HG22 ILE A 30 -10.075 9.415 -0.102 1.00 -0.09 H new ATOM 0 HG23 ILE A 30 -10.195 7.685 0.297 1.00 -0.09 H new ATOM 0 HD11 ILE A 30 -6.630 6.871 2.597 1.00 -0.09 H new ATOM 0 HD12 ILE A 30 -6.485 8.559 2.051 1.00 -0.09 H new ATOM 0 HD13 ILE A 30 -8.056 7.935 2.606 1.00 -0.09 H new ATOM 490 N TYR A 31 -9.967 8.702 -3.290 1.00 -0.46 N ATOM 491 CA TYR A 31 -10.944 9.592 -3.905 1.00 0.04 C ATOM 492 C TYR A 31 -12.099 9.841 -2.927 1.00 0.62 C ATOM 493 O TYR A 31 -12.166 9.241 -1.854 1.00 -0.50 O ATOM 494 CB TYR A 31 -11.466 8.979 -5.215 1.00 -0.10 C ATOM 495 CG TYR A 31 -10.439 8.902 -6.327 1.00 -0.03 C ATOM 496 CD1 TYR A 31 -9.482 7.869 -6.343 1.00 0.00 C ATOM 497 CD2 TYR A 31 -10.444 9.864 -7.356 1.00 0.00 C ATOM 498 CE1 TYR A 31 -8.510 7.828 -7.357 1.00 -0.26 C ATOM 499 CE2 TYR A 31 -9.479 9.813 -8.376 1.00 -0.26 C ATOM 500 CZ TYR A 31 -8.507 8.799 -8.373 1.00 0.46 C ATOM 501 OH TYR A 31 -7.560 8.761 -9.355 1.00 -0.53 O ATOM 0 H TYR A 31 -10.073 7.728 -3.575 1.00 -0.46 H new ATOM 0 HA TYR A 31 -10.469 10.545 -4.139 1.00 0.04 H new ATOM 0 HB2 TYR A 31 -11.836 7.974 -5.009 1.00 -0.10 H new ATOM 0 HB3 TYR A 31 -12.316 9.566 -5.563 1.00 -0.10 H new ATOM 0 HD1 TYR A 31 -9.495 7.109 -5.576 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -11.192 10.643 -7.361 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -7.763 7.048 -7.356 1.00 -0.26 H new ATOM 0 HE2 TYR A 31 -9.485 10.553 -9.162 1.00 -0.26 H new ATOM 0 HH TYR A 31 -7.704 9.504 -9.977 1.00 -0.53 H new ATOM 511 N GLY A 32 -13.024 10.727 -3.306 1.00 -0.46 N ATOM 512 CA GLY A 32 -14.206 11.036 -2.523 1.00 0.04 C ATOM 513 C GLY A 32 -14.926 12.245 -3.111 1.00 0.62 C ATOM 514 O GLY A 32 -14.399 12.907 -4.004 1.00 -0.50 O ATOM 0 H GLY A 32 -12.965 11.253 -4.178 1.00 -0.46 H new ATOM 0 HA2 GLY A 32 -14.876 10.176 -2.508 1.00 0.04 H new ATOM 0 HA3 GLY A 32 -13.924 11.239 -1.490 1.00 0.04 H new ATOM 518 N GLY A 33 -16.112 12.560 -2.577 1.00 -0.46 N ATOM 519 CA GLY A 33 -16.870 13.746 -2.956 1.00 0.04 C ATOM 520 C GLY A 33 -16.375 14.984 -2.203 1.00 0.62 C ATOM 521 O GLY A 33 -17.182 15.769 -1.711 1.00 -0.50 O ATOM 0 H GLY A 33 -16.571 11.992 -1.865 1.00 -0.46 H new ATOM 0 HA2 GLY A 33 -16.780 13.910 -4.030 1.00 0.04 H new ATOM 0 HA3 GLY A 33 -17.928 13.588 -2.745 1.00 0.04 H new ATOM 525 N LYS A 34 -15.048 15.142 -2.111 1.00 -0.46 N ATOM 526 CA LYS A 34 -14.353 16.225 -1.434 1.00 0.04 C ATOM 527 C LYS A 34 -12.852 15.962 -1.550 1.00 0.62 C ATOM 528 O LYS A 34 -12.429 14.808 -1.484 1.00 -0.50 O ATOM 529 CB LYS A 34 -14.752 16.325 0.053 1.00 -0.10 C ATOM 530 CG LYS A 34 -15.396 17.685 0.354 1.00 -0.16 C ATOM 531 CD LYS A 34 -15.747 17.857 1.837 1.00 -0.18 C ATOM 532 CE LYS A 34 -14.499 18.019 2.716 1.00 -0.04 C ATOM 533 NZ LYS A 34 -14.858 18.351 4.106 1.00 -0.14 N ATOM 0 H LYS A 34 -14.402 14.476 -2.534 1.00 -0.46 H new ATOM 0 HA LYS A 34 -14.626 17.171 -1.903 1.00 0.04 H new ATOM 0 HB2 LYS A 34 -15.449 15.525 0.302 1.00 -0.10 H new ATOM 0 HB3 LYS A 34 -13.871 16.188 0.681 1.00 -0.10 H new ATOM 0 HG2 LYS A 34 -14.715 18.480 0.051 1.00 -0.16 H new ATOM 0 HG3 LYS A 34 -16.300 17.795 -0.245 1.00 -0.16 H new ATOM 0 HD2 LYS A 34 -16.389 18.730 1.957 1.00 -0.18 H new ATOM 0 HD3 LYS A 34 -16.318 16.992 2.176 1.00 -0.18 H new ATOM 0 HE2 LYS A 34 -13.918 17.097 2.699 1.00 -0.04 H new ATOM 0 HE3 LYS A 34 -13.863 18.803 2.306 1.00 -0.04 H new ATOM 0 HZ1 LYS A 34 -13.992 18.454 4.673 1.00 -0.14 H new ATOM 0 HZ2 LYS A 34 -15.391 19.244 4.123 1.00 -0.14 H new ATOM 0 HZ3 LYS A 34 -15.445 17.590 4.504 1.00 -0.14 H new ATOM 547 N GLU A 35 -12.068 17.040 -1.682 1.00 -0.46 N ATOM 548 CA GLU A 35 -10.608 17.037 -1.687 1.00 0.04 C ATOM 549 C GLU A 35 -10.044 16.486 -3.001 1.00 0.62 C ATOM 550 O GLU A 35 -10.697 15.708 -3.696 1.00 -0.50 O ATOM 551 CB GLU A 35 -10.069 16.265 -0.466 1.00 -0.18 C ATOM 552 CG GLU A 35 -8.636 16.625 -0.059 1.00 -0.40 C ATOM 553 CD GLU A 35 -8.520 18.083 0.366 1.00 0.71 C ATOM 554 OE1 GLU A 35 -8.970 18.381 1.493 1.00 -0.72 O ATOM 555 OE2 GLU A 35 -7.999 18.873 -0.450 1.00 -0.72 O ATOM 0 H GLU A 35 -12.456 17.977 -1.793 1.00 -0.46 H new ATOM 0 HA GLU A 35 -10.268 18.070 -1.612 1.00 0.04 H new ATOM 0 HB2 GLU A 35 -10.729 16.448 0.382 1.00 -0.18 H new ATOM 0 HB3 GLU A 35 -10.113 15.197 -0.680 1.00 -0.18 H new ATOM 0 HG2 GLU A 35 -8.318 15.981 0.761 1.00 -0.40 H new ATOM 0 HG3 GLU A 35 -7.962 16.435 -0.894 1.00 -0.40 H new ATOM 562 N ALA A 36 -8.804 16.870 -3.319 1.00 -0.46 N ATOM 563 CA ALA A 36 -8.024 16.228 -4.366 1.00 0.04 C ATOM 564 C ALA A 36 -7.741 14.773 -3.961 1.00 0.62 C ATOM 565 O ALA A 36 -7.682 14.481 -2.766 1.00 -0.50 O ATOM 566 CB ALA A 36 -6.718 17.005 -4.565 1.00 -0.10 C ATOM 0 H ALA A 36 -8.318 17.636 -2.853 1.00 -0.46 H new ATOM 0 HA ALA A 36 -8.575 16.227 -5.306 1.00 0.04 H new ATOM 0 HB1 ALA A 36 -6.128 16.530 -5.348 1.00 -0.10 H new ATOM 0 HB2 ALA A 36 -6.946 18.031 -4.854 1.00 -0.10 H new ATOM 0 HB3 ALA A 36 -6.151 17.008 -3.634 1.00 -0.10 H new ATOM 572 N PRO A 37 -7.577 13.850 -4.923 1.00 -0.23 N ATOM 573 CA PRO A 37 -7.342 12.442 -4.642 1.00 0.04 C ATOM 574 C PRO A 37 -5.919 12.231 -4.113 1.00 0.53 C ATOM 575 O PRO A 37 -5.007 11.882 -4.861 1.00 -0.50 O ATOM 576 CB PRO A 37 -7.619 11.724 -5.964 1.00 -0.12 C ATOM 577 CG PRO A 37 -7.253 12.768 -7.017 1.00 -0.12 C ATOM 578 CD PRO A 37 -7.697 14.074 -6.356 1.00 -0.01 C ATOM 0 HA PRO A 37 -7.987 12.045 -3.858 1.00 0.04 H new ATOM 0 HB2 PRO A 37 -7.015 10.822 -6.066 1.00 -0.12 H new ATOM 0 HB3 PRO A 37 -8.663 11.420 -6.045 1.00 -0.12 H new ATOM 0 HG2 PRO A 37 -6.185 12.767 -7.236 1.00 -0.12 H new ATOM 0 HG3 PRO A 37 -7.772 12.593 -7.959 1.00 -0.12 H new ATOM 0 HD2 PRO A 37 -7.071 14.907 -6.676 1.00 -0.01 H new ATOM 0 HD3 PRO A 37 -8.723 14.322 -6.629 1.00 -0.01 H new ATOM 586 N LEU A 38 -5.740 12.460 -2.806 1.00 -0.46 N ATOM 587 CA LEU A 38 -4.461 12.372 -2.112 1.00 0.04 C ATOM 588 C LEU A 38 -3.941 10.935 -2.039 1.00 0.62 C ATOM 589 O LEU A 38 -4.711 9.981 -2.159 1.00 -0.50 O ATOM 590 CB LEU A 38 -4.532 13.066 -0.737 1.00 -0.06 C ATOM 591 CG LEU A 38 -5.329 12.397 0.404 1.00 -0.01 C ATOM 592 CD1 LEU A 38 -6.769 12.045 0.027 1.00 -0.11 C ATOM 593 CD2 LEU A 38 -4.633 11.176 1.021 1.00 -0.11 C ATOM 0 H LEU A 38 -6.509 12.719 -2.188 1.00 -0.46 H new ATOM 0 HA LEU A 38 -3.721 12.916 -2.700 1.00 0.04 H new ATOM 0 HB2 LEU A 38 -3.509 13.204 -0.386 1.00 -0.06 H new ATOM 0 HB3 LEU A 38 -4.952 14.060 -0.892 1.00 -0.06 H new ATOM 0 HG LEU A 38 -5.366 13.173 1.168 1.00 -0.01 H new ATOM 0 HD11 LEU A 38 -7.265 11.579 0.879 1.00 -0.11 H new ATOM 0 HD12 LEU A 38 -7.304 12.953 -0.252 1.00 -0.11 H new ATOM 0 HD13 LEU A 38 -6.766 11.352 -0.814 1.00 -0.11 H new ATOM 0 HD21 LEU A 38 -5.257 10.764 1.814 1.00 -0.11 H new ATOM 0 HD22 LEU A 38 -4.477 10.419 0.252 1.00 -0.11 H new ATOM 0 HD23 LEU A 38 -3.671 11.477 1.435 1.00 -0.11 H new ATOM 605 N ALA A 39 -2.620 10.802 -1.850 1.00 -0.46 N ATOM 606 CA ALA A 39 -1.904 9.535 -1.858 1.00 0.04 C ATOM 607 C ALA A 39 -1.453 9.134 -0.451 1.00 0.62 C ATOM 608 O ALA A 39 -1.186 9.984 0.397 1.00 -0.50 O ATOM 609 CB ALA A 39 -0.701 9.638 -2.797 1.00 -0.10 C ATOM 0 H ALA A 39 -2.010 11.602 -1.683 1.00 -0.46 H new ATOM 0 HA ALA A 39 -2.581 8.759 -2.215 1.00 0.04 H new ATOM 0 HB1 ALA A 39 -0.163 8.690 -2.805 1.00 -0.10 H new ATOM 0 HB2 ALA A 39 -1.045 9.868 -3.805 1.00 -0.10 H new ATOM 0 HB3 ALA A 39 -0.036 10.430 -2.451 1.00 -0.10 H new ATOM 615 N ILE A 40 -1.352 7.819 -0.235 1.00 -0.46 N ATOM 616 CA ILE A 40 -0.887 7.171 0.985 1.00 0.04 C ATOM 617 C ILE A 40 0.000 5.983 0.587 1.00 0.62 C ATOM 618 O ILE A 40 0.050 5.626 -0.591 1.00 -0.50 O ATOM 619 CB ILE A 40 -2.092 6.709 1.829 1.00 -0.01 C ATOM 620 CG1 ILE A 40 -3.076 5.877 0.984 1.00 -0.05 C ATOM 621 CG2 ILE A 40 -2.801 7.914 2.463 1.00 -0.09 C ATOM 622 CD1 ILE A 40 -4.056 5.080 1.846 1.00 -0.09 C ATOM 0 H ILE A 40 -1.609 7.142 -0.953 1.00 -0.46 H new ATOM 0 HA ILE A 40 -0.309 7.867 1.593 1.00 0.04 H new ATOM 0 HB ILE A 40 -1.718 6.071 2.629 1.00 -0.01 H new ATOM 0 HG12 ILE A 40 -3.634 6.540 0.323 1.00 -0.05 H new ATOM 0 HG13 ILE A 40 -2.515 5.192 0.348 1.00 -0.05 H new ATOM 0 HG21 ILE A 40 -3.648 7.568 3.055 1.00 -0.09 H new ATOM 0 HG22 ILE A 40 -2.103 8.449 3.107 1.00 -0.09 H new ATOM 0 HG23 ILE A 40 -3.155 8.582 1.678 1.00 -0.09 H new ATOM 0 HD11 ILE A 40 -4.727 4.511 1.203 1.00 -0.09 H new ATOM 0 HD12 ILE A 40 -3.502 4.395 2.488 1.00 -0.09 H new ATOM 0 HD13 ILE A 40 -4.638 5.765 2.463 1.00 -0.09 H new ATOM 634 N GLU A 41 0.670 5.357 1.567 1.00 -0.46 N ATOM 635 CA GLU A 41 1.382 4.096 1.379 1.00 0.04 C ATOM 636 C GLU A 41 0.653 2.965 2.110 1.00 0.62 C ATOM 637 O GLU A 41 0.189 3.149 3.235 1.00 -0.50 O ATOM 638 CB GLU A 41 2.863 4.218 1.773 1.00 -0.18 C ATOM 639 CG GLU A 41 3.117 4.593 3.237 1.00 -0.40 C ATOM 640 CD GLU A 41 4.616 4.677 3.515 1.00 0.71 C ATOM 641 OE1 GLU A 41 5.205 5.710 3.131 1.00 -0.72 O ATOM 642 OE2 GLU A 41 5.154 3.700 4.083 1.00 -0.72 O ATOM 0 H GLU A 41 0.730 5.720 2.518 1.00 -0.46 H new ATOM 0 HA GLU A 41 1.382 3.845 0.318 1.00 0.04 H new ATOM 0 HB2 GLU A 41 3.357 3.269 1.566 1.00 -0.18 H new ATOM 0 HB3 GLU A 41 3.332 4.967 1.135 1.00 -0.18 H new ATOM 0 HG2 GLU A 41 2.645 5.550 3.461 1.00 -0.40 H new ATOM 0 HG3 GLU A 41 2.660 3.852 3.893 1.00 -0.40 H new ATOM 649 N LEU A 42 0.551 1.805 1.444 1.00 -0.46 N ATOM 650 CA LEU A 42 -0.019 0.568 1.966 1.00 0.04 C ATOM 651 C LEU A 42 1.082 -0.488 2.037 1.00 0.62 C ATOM 652 O LEU A 42 2.110 -0.363 1.376 1.00 -0.50 O ATOM 653 CB LEU A 42 -1.159 0.088 1.045 1.00 -0.06 C ATOM 654 CG LEU A 42 -2.556 0.323 1.636 1.00 -0.01 C ATOM 655 CD1 LEU A 42 -2.798 1.798 1.970 1.00 -0.11 C ATOM 656 CD2 LEU A 42 -3.616 -0.159 0.640 1.00 -0.11 C ATOM 0 H LEU A 42 0.881 1.706 0.484 1.00 -0.46 H new ATOM 0 HA LEU A 42 -0.427 0.738 2.962 1.00 0.04 H new ATOM 0 HB2 LEU A 42 -1.085 0.604 0.088 1.00 -0.06 H new ATOM 0 HB3 LEU A 42 -1.031 -0.976 0.844 1.00 -0.06 H new ATOM 0 HG LEU A 42 -2.625 -0.241 2.566 1.00 -0.01 H new ATOM 0 HD11 LEU A 42 -3.799 1.918 2.385 1.00 -0.11 H new ATOM 0 HD12 LEU A 42 -2.060 2.132 2.699 1.00 -0.11 H new ATOM 0 HD13 LEU A 42 -2.708 2.396 1.063 1.00 -0.11 H new ATOM 0 HD21 LEU A 42 -4.609 0.007 1.057 1.00 -0.11 H new ATOM 0 HD22 LEU A 42 -3.517 0.396 -0.293 1.00 -0.11 H new ATOM 0 HD23 LEU A 42 -3.477 -1.223 0.447 1.00 -0.11 H new ATOM 668 N ASP A 43 0.845 -1.541 2.829 1.00 -0.46 N ATOM 669 CA ASP A 43 1.704 -2.714 2.919 1.00 0.04 C ATOM 670 C ASP A 43 1.507 -3.616 1.693 1.00 0.62 C ATOM 671 O ASP A 43 0.760 -3.268 0.781 1.00 -0.50 O ATOM 672 CB ASP A 43 1.377 -3.464 4.219 1.00 -0.40 C ATOM 673 CG ASP A 43 -0.035 -4.044 4.189 1.00 0.71 C ATOM 674 OD1 ASP A 43 -0.965 -3.306 4.578 1.00 -0.72 O ATOM 675 OD2 ASP A 43 -0.161 -5.210 3.760 1.00 -0.72 O ATOM 0 H ASP A 43 0.028 -1.596 3.438 1.00 -0.46 H new ATOM 0 HA ASP A 43 2.751 -2.410 2.935 1.00 0.04 H new ATOM 0 HB2 ASP A 43 2.099 -4.267 4.368 1.00 -0.40 H new ATOM 0 HB3 ASP A 43 1.475 -2.786 5.066 1.00 -0.40 H new ATOM 680 N HIS A 44 2.155 -4.787 1.686 1.00 -0.46 N ATOM 681 CA HIS A 44 1.890 -5.849 0.723 1.00 0.04 C ATOM 682 C HIS A 44 1.982 -7.200 1.443 1.00 0.62 C ATOM 683 O HIS A 44 2.822 -8.036 1.113 1.00 -0.50 O ATOM 684 CB HIS A 44 2.830 -5.721 -0.489 1.00 -0.10 C ATOM 685 CG HIS A 44 2.443 -6.600 -1.658 1.00 -0.03 C ATOM 686 ND1 HIS A 44 2.138 -7.940 -1.590 1.00 -0.15 N ATOM 687 CD2 HIS A 44 2.338 -6.223 -2.972 1.00 0.20 C ATOM 688 CE1 HIS A 44 1.854 -8.358 -2.833 1.00 0.24 C ATOM 689 NE2 HIS A 44 1.956 -7.348 -3.713 1.00 -0.50 N ATOM 0 H HIS A 44 2.885 -5.021 2.359 1.00 -0.46 H new ATOM 0 HA HIS A 44 0.881 -5.767 0.318 1.00 0.04 H new ATOM 0 HB2 HIS A 44 2.845 -4.682 -0.817 1.00 -0.10 H new ATOM 0 HB3 HIS A 44 3.844 -5.972 -0.178 1.00 -0.10 H new ATOM 0 HD1 HIS A 44 2.129 -8.513 -0.746 1.00 -0.15 H new ATOM 0 HD2 HIS A 44 2.518 -5.234 -3.366 1.00 0.20 H new ATOM 0 HE1 HIS A 44 1.580 -9.370 -3.091 1.00 0.24 H new ATOM 697 N ASP A 45 1.103 -7.411 2.430 1.00 -0.46 N ATOM 698 CA ASP A 45 0.995 -8.657 3.180 1.00 0.04 C ATOM 699 C ASP A 45 -0.365 -8.708 3.878 1.00 0.62 C ATOM 700 O ASP A 45 -1.200 -9.558 3.576 1.00 -0.50 O ATOM 701 CB ASP A 45 2.144 -8.758 4.197 1.00 -0.40 C ATOM 702 CG ASP A 45 1.973 -9.966 5.114 1.00 0.71 C ATOM 703 OD1 ASP A 45 2.280 -11.083 4.647 1.00 -0.72 O ATOM 704 OD2 ASP A 45 1.527 -9.751 6.262 1.00 -0.72 O ATOM 0 H ASP A 45 0.435 -6.702 2.732 1.00 -0.46 H new ATOM 0 HA ASP A 45 1.071 -9.507 2.501 1.00 0.04 H new ATOM 0 HB2 ASP A 45 3.094 -8.833 3.668 1.00 -0.40 H new ATOM 0 HB3 ASP A 45 2.183 -7.848 4.796 1.00 -0.40 H new ATOM 709 N LYS A 46 -0.578 -7.780 4.813 1.00 -0.46 N ATOM 710 CA LYS A 46 -1.798 -7.662 5.591 1.00 0.04 C ATOM 711 C LYS A 46 -2.975 -7.320 4.675 1.00 0.62 C ATOM 712 O LYS A 46 -4.062 -7.866 4.839 1.00 -0.50 O ATOM 713 CB LYS A 46 -1.591 -6.599 6.680 1.00 -0.10 C ATOM 714 CG LYS A 46 -2.497 -6.843 7.890 1.00 -0.16 C ATOM 715 CD LYS A 46 -2.286 -5.730 8.924 1.00 -0.18 C ATOM 716 CE LYS A 46 -2.984 -6.034 10.255 1.00 -0.04 C ATOM 717 NZ LYS A 46 -2.348 -7.159 10.966 1.00 -0.14 N ATOM 0 H LYS A 46 0.118 -7.073 5.051 1.00 -0.46 H new ATOM 0 HA LYS A 46 -2.032 -8.610 6.075 1.00 0.04 H new ATOM 0 HB2 LYS A 46 -0.549 -6.603 6.999 1.00 -0.10 H new ATOM 0 HB3 LYS A 46 -1.794 -5.611 6.267 1.00 -0.10 H new ATOM 0 HG2 LYS A 46 -3.541 -6.869 7.576 1.00 -0.16 H new ATOM 0 HG3 LYS A 46 -2.274 -7.813 8.334 1.00 -0.16 H new ATOM 0 HD2 LYS A 46 -1.218 -5.596 9.098 1.00 -0.18 H new ATOM 0 HD3 LYS A 46 -2.664 -4.789 8.524 1.00 -0.18 H new ATOM 0 HE2 LYS A 46 -2.962 -5.146 10.887 1.00 -0.04 H new ATOM 0 HE3 LYS A 46 -4.032 -6.268 10.070 1.00 -0.04 H new ATOM 0 HZ1 LYS A 46 -2.723 -7.214 11.934 1.00 -0.14 H new ATOM 0 HZ2 LYS A 46 -2.552 -8.047 10.464 1.00 -0.14 H new ATOM 0 HZ3 LYS A 46 -1.319 -7.010 11.001 1.00 -0.14 H new ATOM 731 N VAL A 47 -2.748 -6.428 3.701 1.00 -0.46 N ATOM 732 CA VAL A 47 -3.743 -6.008 2.724 1.00 0.04 C ATOM 733 C VAL A 47 -4.342 -7.195 1.964 1.00 0.62 C ATOM 734 O VAL A 47 -5.546 -7.207 1.727 1.00 -0.50 O ATOM 735 CB VAL A 47 -3.152 -4.941 1.786 1.00 -0.01 C ATOM 736 CG1 VAL A 47 -2.028 -5.486 0.899 1.00 -0.09 C ATOM 737 CG2 VAL A 47 -4.240 -4.321 0.899 1.00 -0.09 C ATOM 0 H VAL A 47 -1.844 -5.972 3.574 1.00 -0.46 H new ATOM 0 HA VAL A 47 -4.576 -5.552 3.260 1.00 0.04 H new ATOM 0 HB VAL A 47 -2.726 -4.176 2.435 1.00 -0.01 H new ATOM 0 HG11 VAL A 47 -1.650 -4.688 0.259 1.00 -0.09 H new ATOM 0 HG12 VAL A 47 -1.219 -5.862 1.526 1.00 -0.09 H new ATOM 0 HG13 VAL A 47 -2.413 -6.296 0.280 1.00 -0.09 H new ATOM 0 HG21 VAL A 47 -3.794 -3.571 0.247 1.00 -0.09 H new ATOM 0 HG22 VAL A 47 -4.703 -5.100 0.293 1.00 -0.09 H new ATOM 0 HG23 VAL A 47 -4.998 -3.852 1.527 1.00 -0.09 H new ATOM 747 N MET A 48 -3.529 -8.195 1.595 1.00 -0.46 N ATOM 748 CA MET A 48 -3.999 -9.394 0.910 1.00 0.04 C ATOM 749 C MET A 48 -4.964 -10.179 1.802 1.00 0.62 C ATOM 750 O MET A 48 -6.020 -10.613 1.343 1.00 -0.50 O ATOM 751 CB MET A 48 -2.797 -10.242 0.469 1.00 -0.15 C ATOM 752 CG MET A 48 -3.173 -11.623 -0.088 1.00 -0.05 C ATOM 753 SD MET A 48 -4.432 -11.695 -1.402 1.00 0.74 S ATOM 754 CE MET A 48 -3.699 -10.622 -2.654 1.00 -0.13 C ATOM 0 H MET A 48 -2.524 -8.189 1.767 1.00 -0.46 H new ATOM 0 HA MET A 48 -4.554 -9.110 0.016 1.00 0.04 H new ATOM 0 HB2 MET A 48 -2.240 -9.695 -0.292 1.00 -0.15 H new ATOM 0 HB3 MET A 48 -2.129 -10.375 1.320 1.00 -0.15 H new ATOM 0 HG2 MET A 48 -2.264 -12.089 -0.469 1.00 -0.05 H new ATOM 0 HG3 MET A 48 -3.521 -12.236 0.743 1.00 -0.05 H new ATOM 0 HE1 MET A 48 -4.081 -10.896 -3.637 1.00 -0.13 H new ATOM 0 HE2 MET A 48 -3.957 -9.585 -2.441 1.00 -0.13 H new ATOM 0 HE3 MET A 48 -2.615 -10.736 -2.641 1.00 -0.13 H new ATOM 764 N ASN A 49 -4.609 -10.347 3.080 1.00 -0.46 N ATOM 765 CA ASN A 49 -5.439 -11.054 4.047 1.00 0.04 C ATOM 766 C ASN A 49 -6.773 -10.326 4.239 1.00 0.62 C ATOM 767 O ASN A 49 -7.827 -10.959 4.230 1.00 -0.50 O ATOM 768 CB ASN A 49 -4.692 -11.210 5.380 1.00 -0.09 C ATOM 769 CG ASN A 49 -3.365 -11.960 5.242 1.00 0.68 C ATOM 770 OD1 ASN A 49 -3.112 -12.627 4.241 1.00 -0.47 O ATOM 771 ND2 ASN A 49 -2.507 -11.851 6.258 1.00 -0.87 N ATOM 0 H ASN A 49 -3.735 -9.994 3.469 1.00 -0.46 H new ATOM 0 HA ASN A 49 -5.654 -12.052 3.664 1.00 0.04 H new ATOM 0 HB2 ASN A 49 -4.502 -10.223 5.801 1.00 -0.09 H new ATOM 0 HB3 ASN A 49 -5.330 -11.740 6.087 1.00 -0.09 H new ATOM 0 HD21 ASN A 49 -1.607 -12.330 6.219 1.00 -0.87 H new ATOM 0 HD22 ASN A 49 -2.751 -11.289 7.073 1.00 -0.87 H new ATOM 778 N MET A 50 -6.724 -8.997 4.393 1.00 -0.46 N ATOM 779 CA MET A 50 -7.903 -8.156 4.557 1.00 0.04 C ATOM 780 C MET A 50 -8.744 -8.089 3.276 1.00 0.62 C ATOM 781 O MET A 50 -9.959 -7.944 3.369 1.00 -0.50 O ATOM 782 CB MET A 50 -7.490 -6.753 5.021 1.00 -0.15 C ATOM 783 CG MET A 50 -6.938 -6.795 6.453 1.00 -0.05 C ATOM 784 SD MET A 50 -6.535 -5.191 7.198 1.00 0.74 S ATOM 785 CE MET A 50 -5.260 -4.578 6.070 1.00 -0.13 C ATOM 0 H MET A 50 -5.849 -8.474 4.407 1.00 -0.46 H new ATOM 0 HA MET A 50 -8.532 -8.609 5.323 1.00 0.04 H new ATOM 0 HB2 MET A 50 -6.735 -6.349 4.347 1.00 -0.15 H new ATOM 0 HB3 MET A 50 -8.348 -6.083 4.976 1.00 -0.15 H new ATOM 0 HG2 MET A 50 -7.669 -7.295 7.088 1.00 -0.05 H new ATOM 0 HG3 MET A 50 -6.039 -7.411 6.457 1.00 -0.05 H new ATOM 0 HE1 MET A 50 -4.818 -3.669 6.479 1.00 -0.13 H new ATOM 0 HE2 MET A 50 -4.486 -5.336 5.950 1.00 -0.13 H new ATOM 0 HE3 MET A 50 -5.707 -4.359 5.100 1.00 -0.13 H new ATOM 795 N GLN A 51 -8.117 -8.193 2.096 1.00 -0.46 N ATOM 796 CA GLN A 51 -8.805 -8.149 0.813 1.00 0.04 C ATOM 797 C GLN A 51 -9.834 -9.271 0.712 1.00 0.62 C ATOM 798 O GLN A 51 -11.026 -9.009 0.853 1.00 -0.50 O ATOM 799 CB GLN A 51 -7.808 -8.170 -0.361 1.00 -0.10 C ATOM 800 CG GLN A 51 -7.367 -6.758 -0.781 1.00 -0.10 C ATOM 801 CD GLN A 51 -8.212 -6.176 -1.919 1.00 0.68 C ATOM 802 OE1 GLN A 51 -7.677 -5.520 -2.810 1.00 -0.47 O ATOM 803 NE2 GLN A 51 -9.524 -6.419 -1.921 1.00 -0.87 N ATOM 0 H GLN A 51 -7.107 -8.311 2.012 1.00 -0.46 H new ATOM 0 HA GLN A 51 -9.345 -7.204 0.749 1.00 0.04 H new ATOM 0 HB2 GLN A 51 -6.931 -8.753 -0.079 1.00 -0.10 H new ATOM 0 HB3 GLN A 51 -8.265 -8.674 -1.213 1.00 -0.10 H new ATOM 0 HG2 GLN A 51 -7.425 -6.095 0.082 1.00 -0.10 H new ATOM 0 HG3 GLN A 51 -6.322 -6.788 -1.091 1.00 -0.10 H new ATOM 0 HE21 GLN A 51 -9.942 -6.967 -1.169 1.00 -0.87 H new ATOM 0 HE22 GLN A 51 -10.109 -6.057 -2.675 1.00 -0.87 H new ATOM 812 N ALA A 52 -9.391 -10.494 0.388 1.00 -0.46 N ATOM 813 CA ALA A 52 -10.243 -11.646 0.088 1.00 0.04 C ATOM 814 C ALA A 52 -11.043 -11.513 -1.221 1.00 0.62 C ATOM 815 O ALA A 52 -11.356 -12.531 -1.833 1.00 -0.50 O ATOM 816 CB ALA A 52 -11.155 -11.995 1.275 1.00 -0.10 C ATOM 0 H ALA A 52 -8.397 -10.712 0.326 1.00 -0.46 H new ATOM 0 HA ALA A 52 -9.559 -12.479 -0.076 1.00 0.04 H new ATOM 0 HB1 ALA A 52 -11.774 -12.855 1.018 1.00 -0.10 H new ATOM 0 HB2 ALA A 52 -10.544 -12.235 2.145 1.00 -0.10 H new ATOM 0 HB3 ALA A 52 -11.795 -11.143 1.505 1.00 -0.10 H new ATOM 822 N LYS A 53 -11.369 -10.281 -1.643 1.00 -0.46 N ATOM 823 CA LYS A 53 -12.210 -9.919 -2.779 1.00 0.04 C ATOM 824 C LYS A 53 -13.688 -10.142 -2.447 1.00 0.62 C ATOM 825 O LYS A 53 -14.018 -10.960 -1.591 1.00 -0.50 O ATOM 826 CB LYS A 53 -11.767 -10.583 -4.093 1.00 -0.10 C ATOM 827 CG LYS A 53 -10.306 -10.243 -4.445 1.00 -0.16 C ATOM 828 CD LYS A 53 -9.347 -11.443 -4.430 1.00 -0.18 C ATOM 829 CE LYS A 53 -9.682 -12.531 -5.461 1.00 -0.04 C ATOM 830 NZ LYS A 53 -9.763 -11.994 -6.830 1.00 -0.14 N ATOM 0 H LYS A 53 -11.022 -9.454 -1.157 1.00 -0.46 H new ATOM 0 HA LYS A 53 -12.080 -8.852 -2.961 1.00 0.04 H new ATOM 0 HB2 LYS A 53 -11.878 -11.664 -4.009 1.00 -0.10 H new ATOM 0 HB3 LYS A 53 -12.421 -10.258 -4.902 1.00 -0.10 H new ATOM 0 HG2 LYS A 53 -10.281 -9.788 -5.435 1.00 -0.16 H new ATOM 0 HG3 LYS A 53 -9.941 -9.495 -3.741 1.00 -0.16 H new ATOM 0 HD2 LYS A 53 -8.333 -11.086 -4.612 1.00 -0.18 H new ATOM 0 HD3 LYS A 53 -9.354 -11.887 -3.435 1.00 -0.18 H new ATOM 0 HE2 LYS A 53 -8.922 -13.311 -5.423 1.00 -0.04 H new ATOM 0 HE3 LYS A 53 -10.632 -12.998 -5.199 1.00 -0.04 H new ATOM 0 HZ1 LYS A 53 -10.041 -12.753 -7.485 1.00 -0.14 H new ATOM 0 HZ2 LYS A 53 -10.470 -11.232 -6.863 1.00 -0.14 H new ATOM 0 HZ3 LYS A 53 -8.835 -11.617 -7.111 1.00 -0.14 H new ATOM 844 N ALA A 54 -14.561 -9.360 -3.096 1.00 -0.46 N ATOM 845 CA ALA A 54 -15.983 -9.223 -2.793 1.00 0.04 C ATOM 846 C ALA A 54 -16.194 -8.521 -1.448 1.00 0.62 C ATOM 847 O ALA A 54 -16.633 -7.373 -1.415 1.00 -0.50 O ATOM 848 CB ALA A 54 -16.729 -10.560 -2.902 1.00 -0.10 C ATOM 0 H ALA A 54 -14.276 -8.779 -3.885 1.00 -0.46 H new ATOM 0 HA ALA A 54 -16.427 -8.580 -3.553 1.00 0.04 H new ATOM 0 HB1 ALA A 54 -17.783 -10.409 -2.668 1.00 -0.10 H new ATOM 0 HB2 ALA A 54 -16.635 -10.948 -3.916 1.00 -0.10 H new ATOM 0 HB3 ALA A 54 -16.300 -11.274 -2.199 1.00 -0.10 H new ATOM 854 N GLU A 55 -15.865 -9.215 -0.351 1.00 -0.46 N ATOM 855 CA GLU A 55 -16.040 -8.795 1.035 1.00 0.04 C ATOM 856 C GLU A 55 -15.486 -7.390 1.292 1.00 0.62 C ATOM 857 O GLU A 55 -16.118 -6.590 1.981 1.00 -0.50 O ATOM 858 CB GLU A 55 -15.348 -9.811 1.957 1.00 -0.18 C ATOM 859 CG GLU A 55 -15.993 -11.201 1.876 1.00 -0.40 C ATOM 860 CD GLU A 55 -15.211 -12.240 2.677 1.00 0.71 C ATOM 861 OE1 GLU A 55 -14.665 -11.866 3.735 1.00 -0.72 O ATOM 862 OE2 GLU A 55 -15.173 -13.400 2.212 1.00 -0.72 O ATOM 0 H GLU A 55 -15.444 -10.142 -0.418 1.00 -0.46 H new ATOM 0 HA GLU A 55 -17.109 -8.758 1.244 1.00 0.04 H new ATOM 0 HB2 GLU A 55 -14.294 -9.885 1.687 1.00 -0.18 H new ATOM 0 HB3 GLU A 55 -15.389 -9.453 2.986 1.00 -0.18 H new ATOM 0 HG2 GLU A 55 -17.016 -11.149 2.250 1.00 -0.40 H new ATOM 0 HG3 GLU A 55 -16.050 -11.514 0.834 1.00 -0.40 H new ATOM 869 N PHE A 56 -14.303 -7.105 0.730 1.00 -0.46 N ATOM 870 CA PHE A 56 -13.611 -5.829 0.851 1.00 0.04 C ATOM 871 C PHE A 56 -14.558 -4.666 0.531 1.00 0.62 C ATOM 872 O PHE A 56 -14.736 -3.772 1.353 1.00 -0.50 O ATOM 873 CB PHE A 56 -12.378 -5.845 -0.064 1.00 -0.10 C ATOM 874 CG PHE A 56 -11.286 -4.853 0.288 1.00 -0.10 C ATOM 875 CD1 PHE A 56 -10.545 -5.027 1.473 1.00 -0.15 C ATOM 876 CD2 PHE A 56 -10.906 -3.853 -0.627 1.00 -0.15 C ATOM 877 CE1 PHE A 56 -9.394 -4.253 1.711 1.00 -0.15 C ATOM 878 CE2 PHE A 56 -9.764 -3.067 -0.382 1.00 -0.15 C ATOM 879 CZ PHE A 56 -9.001 -3.276 0.780 1.00 -0.15 C ATOM 0 H PHE A 56 -13.792 -7.781 0.163 1.00 -0.46 H new ATOM 0 HA PHE A 56 -13.276 -5.681 1.878 1.00 0.04 H new ATOM 0 HB2 PHE A 56 -11.951 -6.848 -0.050 1.00 -0.10 H new ATOM 0 HB3 PHE A 56 -12.704 -5.651 -1.086 1.00 -0.10 H new ATOM 0 HD1 PHE A 56 -10.862 -5.758 2.202 1.00 -0.15 H new ATOM 0 HD2 PHE A 56 -11.492 -3.688 -1.519 1.00 -0.15 H new ATOM 0 HE1 PHE A 56 -8.813 -4.410 2.608 1.00 -0.15 H new ATOM 0 HE2 PHE A 56 -9.474 -2.303 -1.088 1.00 -0.15 H new ATOM 0 HZ PHE A 56 -8.114 -2.686 0.957 1.00 -0.15 H new ATOM 889 N TYR A 57 -15.200 -4.718 -0.643 1.00 -0.46 N ATOM 890 CA TYR A 57 -16.214 -3.768 -1.091 1.00 0.04 C ATOM 891 C TYR A 57 -17.604 -4.362 -0.852 1.00 0.62 C ATOM 892 O TYR A 57 -18.371 -4.568 -1.790 1.00 -0.50 O ATOM 893 CB TYR A 57 -15.964 -3.362 -2.560 1.00 -0.10 C ATOM 894 CG TYR A 57 -15.409 -4.454 -3.457 1.00 -0.03 C ATOM 895 CD1 TYR A 57 -14.021 -4.677 -3.496 1.00 0.00 C ATOM 896 CD2 TYR A 57 -16.268 -5.274 -4.212 1.00 0.00 C ATOM 897 CE1 TYR A 57 -13.497 -5.764 -4.210 1.00 -0.26 C ATOM 898 CE2 TYR A 57 -15.738 -6.339 -4.965 1.00 -0.26 C ATOM 899 CZ TYR A 57 -14.358 -6.602 -4.935 1.00 0.46 C ATOM 900 OH TYR A 57 -13.866 -7.726 -5.531 1.00 -0.53 O ATOM 0 H TYR A 57 -15.018 -5.451 -1.328 1.00 -0.46 H new ATOM 0 HA TYR A 57 -16.152 -2.847 -0.512 1.00 0.04 H new ATOM 0 HB2 TYR A 57 -16.903 -3.009 -2.986 1.00 -0.10 H new ATOM 0 HB3 TYR A 57 -15.272 -2.520 -2.573 1.00 -0.10 H new ATOM 0 HD1 TYR A 57 -13.355 -4.007 -2.973 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -17.332 -5.087 -4.214 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -12.434 -5.956 -4.202 1.00 -0.26 H new ATOM 0 HE2 TYR A 57 -16.392 -6.954 -5.566 1.00 -0.26 H new ATOM 0 HH TYR A 57 -14.592 -8.196 -5.992 1.00 -0.53 H new ATOM 910 N SER A 58 -17.934 -4.613 0.422 1.00 -0.46 N ATOM 911 CA SER A 58 -19.270 -5.006 0.854 1.00 0.04 C ATOM 912 C SER A 58 -19.600 -4.320 2.178 1.00 0.62 C ATOM 913 O SER A 58 -20.530 -3.518 2.241 1.00 -0.50 O ATOM 914 CB SER A 58 -19.386 -6.531 0.975 1.00 0.02 C ATOM 915 OG SER A 58 -19.206 -7.152 -0.279 1.00 -0.55 O ATOM 0 H SER A 58 -17.265 -4.546 1.189 1.00 -0.46 H new ATOM 0 HA SER A 58 -19.993 -4.688 0.103 1.00 0.04 H new ATOM 0 HB2 SER A 58 -18.641 -6.901 1.679 1.00 0.02 H new ATOM 0 HB3 SER A 58 -20.364 -6.794 1.378 1.00 0.02 H new ATOM 0 HG SER A 58 -18.254 -7.153 -0.510 1.00 -0.55 H new ATOM 921 N GLU A 59 -18.844 -4.643 3.235 1.00 -0.46 N ATOM 922 CA GLU A 59 -19.149 -4.237 4.604 1.00 0.04 C ATOM 923 C GLU A 59 -18.492 -2.911 5.010 1.00 0.62 C ATOM 924 O GLU A 59 -18.396 -2.632 6.203 1.00 -0.50 O ATOM 925 CB GLU A 59 -18.779 -5.381 5.563 1.00 -0.18 C ATOM 926 CG GLU A 59 -17.275 -5.690 5.585 1.00 -0.40 C ATOM 927 CD GLU A 59 -16.966 -6.828 6.550 1.00 0.71 C ATOM 928 OE1 GLU A 59 -16.753 -6.523 7.743 1.00 -0.72 O ATOM 929 OE2 GLU A 59 -16.964 -7.985 6.078 1.00 -0.72 O ATOM 0 H GLU A 59 -17.994 -5.201 3.158 1.00 -0.46 H new ATOM 0 HA GLU A 59 -20.220 -4.044 4.664 1.00 0.04 H new ATOM 0 HB2 GLU A 59 -19.105 -5.122 6.570 1.00 -0.18 H new ATOM 0 HB3 GLU A 59 -19.324 -6.280 5.273 1.00 -0.18 H new ATOM 0 HG2 GLU A 59 -16.940 -5.957 4.583 1.00 -0.40 H new ATOM 0 HG3 GLU A 59 -16.721 -4.798 5.879 1.00 -0.40 H new ATOM 936 N VAL A 60 -18.048 -2.092 4.042 1.00 -0.46 N ATOM 937 CA VAL A 60 -17.326 -0.839 4.275 1.00 0.04 C ATOM 938 C VAL A 60 -15.922 -1.119 4.838 1.00 0.62 C ATOM 939 O VAL A 60 -15.657 -2.214 5.331 1.00 -0.50 O ATOM 940 CB VAL A 60 -18.180 0.151 5.113 1.00 -0.01 C ATOM 941 CG1 VAL A 60 -17.585 0.518 6.481 1.00 -0.09 C ATOM 942 CG2 VAL A 60 -18.449 1.444 4.335 1.00 -0.09 C ATOM 0 H VAL A 60 -18.187 -2.292 3.052 1.00 -0.46 H new ATOM 0 HA VAL A 60 -17.160 -0.330 3.325 1.00 0.04 H new ATOM 0 HB VAL A 60 -19.107 -0.390 5.304 1.00 -0.01 H new ATOM 0 HG11 VAL A 60 -18.251 1.213 6.993 1.00 -0.09 H new ATOM 0 HG12 VAL A 60 -17.471 -0.384 7.082 1.00 -0.09 H new ATOM 0 HG13 VAL A 60 -16.611 0.986 6.340 1.00 -0.09 H new ATOM 0 HG21 VAL A 60 -19.049 2.118 4.946 1.00 -0.09 H new ATOM 0 HG22 VAL A 60 -17.502 1.924 4.088 1.00 -0.09 H new ATOM 0 HG23 VAL A 60 -18.988 1.211 3.417 1.00 -0.09 H new ATOM 952 N LEU A 61 -15.015 -0.138 4.746 1.00 -0.46 N ATOM 953 CA LEU A 61 -13.660 -0.236 5.274 1.00 0.04 C ATOM 954 C LEU A 61 -13.287 1.032 6.039 1.00 0.62 C ATOM 955 O LEU A 61 -13.949 2.061 5.905 1.00 -0.50 O ATOM 956 CB LEU A 61 -12.617 -0.502 4.177 1.00 -0.06 C ATOM 957 CG LEU A 61 -13.063 -1.442 3.048 1.00 -0.01 C ATOM 958 CD1 LEU A 61 -13.661 -0.659 1.874 1.00 -0.11 C ATOM 959 CD2 LEU A 61 -11.854 -2.214 2.532 1.00 -0.11 C ATOM 0 H LEU A 61 -15.211 0.756 4.295 1.00 -0.46 H new ATOM 0 HA LEU A 61 -13.652 -1.090 5.952 1.00 0.04 H new ATOM 0 HB2 LEU A 61 -12.328 0.452 3.737 1.00 -0.06 H new ATOM 0 HB3 LEU A 61 -11.725 -0.921 4.643 1.00 -0.06 H new ATOM 0 HG LEU A 61 -13.820 -2.115 3.451 1.00 -0.01 H new ATOM 0 HD11 LEU A 61 -13.967 -1.354 1.092 1.00 -0.11 H new ATOM 0 HD12 LEU A 61 -14.528 -0.094 2.217 1.00 -0.11 H new ATOM 0 HD13 LEU A 61 -12.914 0.029 1.477 1.00 -0.11 H new ATOM 0 HD21 LEU A 61 -12.165 -2.883 1.730 1.00 -0.11 H new ATOM 0 HD22 LEU A 61 -11.110 -1.514 2.152 1.00 -0.11 H new ATOM 0 HD23 LEU A 61 -11.421 -2.798 3.344 1.00 -0.11 H new ATOM 971 N THR A 62 -12.198 0.950 6.812 1.00 -0.46 N ATOM 972 CA THR A 62 -11.633 2.056 7.570 1.00 0.04 C ATOM 973 C THR A 62 -10.119 2.078 7.361 1.00 0.62 C ATOM 974 O THR A 62 -9.443 1.074 7.594 1.00 -0.50 O ATOM 975 CB THR A 62 -11.999 1.908 9.055 1.00 0.17 C ATOM 976 OG1 THR A 62 -13.405 1.882 9.193 1.00 -0.55 O ATOM 977 CG2 THR A 62 -11.451 3.079 9.876 1.00 -0.19 C ATOM 0 H THR A 62 -11.674 0.082 6.926 1.00 -0.46 H new ATOM 0 HA THR A 62 -12.043 3.004 7.222 1.00 0.04 H new ATOM 0 HB THR A 62 -11.560 0.980 9.421 1.00 0.17 H new ATOM 0 HG1 THR A 62 -13.639 1.786 10.140 1.00 -0.55 H new ATOM 0 HG21 THR A 62 -11.725 2.949 10.923 1.00 -0.19 H new ATOM 0 HG22 THR A 62 -10.365 3.110 9.786 1.00 -0.19 H new ATOM 0 HG23 THR A 62 -11.873 4.013 9.504 1.00 -0.19 H new ATOM 985 N ILE A 63 -9.596 3.233 6.930 1.00 -0.46 N ATOM 986 CA ILE A 63 -8.172 3.478 6.771 1.00 0.04 C ATOM 987 C ILE A 63 -7.701 4.294 7.969 1.00 0.62 C ATOM 988 O ILE A 63 -8.148 5.425 8.151 1.00 -0.50 O ATOM 989 CB ILE A 63 -7.880 4.231 5.461 1.00 -0.01 C ATOM 990 CG1 ILE A 63 -8.551 3.571 4.246 1.00 -0.05 C ATOM 991 CG2 ILE A 63 -6.359 4.308 5.253 1.00 -0.09 C ATOM 992 CD1 ILE A 63 -8.337 4.396 2.975 1.00 -0.09 C ATOM 0 H ILE A 63 -10.172 4.037 6.678 1.00 -0.46 H new ATOM 0 HA ILE A 63 -7.639 2.529 6.722 1.00 0.04 H new ATOM 0 HB ILE A 63 -8.299 5.233 5.547 1.00 -0.01 H new ATOM 0 HG12 ILE A 63 -8.146 2.569 4.104 1.00 -0.05 H new ATOM 0 HG13 ILE A 63 -9.619 3.459 4.434 1.00 -0.05 H new ATOM 0 HG21 ILE A 63 -6.145 4.840 4.326 1.00 -0.09 H new ATOM 0 HG22 ILE A 63 -5.904 4.838 6.090 1.00 -0.09 H new ATOM 0 HG23 ILE A 63 -5.948 3.300 5.195 1.00 -0.09 H new ATOM 0 HD11 ILE A 63 -8.824 3.902 2.134 1.00 -0.09 H new ATOM 0 HD12 ILE A 63 -8.765 5.389 3.110 1.00 -0.09 H new ATOM 0 HD13 ILE A 63 -7.269 4.485 2.775 1.00 -0.09 H new ATOM 1004 N VAL A 64 -6.778 3.736 8.757 1.00 -0.46 N ATOM 1005 CA VAL A 64 -6.105 4.455 9.825 1.00 0.04 C ATOM 1006 C VAL A 64 -4.924 5.194 9.199 1.00 0.62 C ATOM 1007 O VAL A 64 -3.837 4.632 9.081 1.00 -0.50 O ATOM 1008 CB VAL A 64 -5.668 3.476 10.932 1.00 -0.01 C ATOM 1009 CG1 VAL A 64 -4.955 4.221 12.071 1.00 -0.09 C ATOM 1010 CG2 VAL A 64 -6.880 2.737 11.511 1.00 -0.09 C ATOM 0 H VAL A 64 -6.479 2.765 8.665 1.00 -0.46 H new ATOM 0 HA VAL A 64 -6.768 5.177 10.302 1.00 0.04 H new ATOM 0 HB VAL A 64 -4.982 2.759 10.482 1.00 -0.01 H new ATOM 0 HG11 VAL A 64 -4.656 3.509 12.840 1.00 -0.09 H new ATOM 0 HG12 VAL A 64 -4.071 4.724 11.679 1.00 -0.09 H new ATOM 0 HG13 VAL A 64 -5.631 4.959 12.503 1.00 -0.09 H new ATOM 0 HG21 VAL A 64 -6.549 2.051 12.291 1.00 -0.09 H new ATOM 0 HG22 VAL A 64 -7.578 3.459 11.935 1.00 -0.09 H new ATOM 0 HG23 VAL A 64 -7.376 2.175 10.719 1.00 -0.09 H new ATOM 1020 N VAL A 65 -5.142 6.449 8.789 1.00 -0.46 N ATOM 1021 CA VAL A 65 -4.080 7.318 8.300 1.00 0.04 C ATOM 1022 C VAL A 65 -3.437 7.970 9.523 1.00 0.62 C ATOM 1023 O VAL A 65 -3.877 9.036 9.954 1.00 -0.50 O ATOM 1024 CB VAL A 65 -4.639 8.347 7.299 1.00 -0.01 C ATOM 1025 CG1 VAL A 65 -3.514 9.241 6.753 1.00 -0.09 C ATOM 1026 CG2 VAL A 65 -5.308 7.639 6.115 1.00 -0.09 C ATOM 0 H VAL A 65 -6.064 6.886 8.789 1.00 -0.46 H new ATOM 0 HA VAL A 65 -3.324 6.756 7.752 1.00 0.04 H new ATOM 0 HB VAL A 65 -5.371 8.956 7.830 1.00 -0.01 H new ATOM 0 HG11 VAL A 65 -3.931 9.960 6.048 1.00 -0.09 H new ATOM 0 HG12 VAL A 65 -3.040 9.774 7.577 1.00 -0.09 H new ATOM 0 HG13 VAL A 65 -2.772 8.624 6.246 1.00 -0.09 H new ATOM 0 HG21 VAL A 65 -5.697 8.382 5.419 1.00 -0.09 H new ATOM 0 HG22 VAL A 65 -4.576 7.012 5.605 1.00 -0.09 H new ATOM 0 HG23 VAL A 65 -6.127 7.018 6.478 1.00 -0.09 H new ATOM 1036 N ASP A 66 -2.425 7.295 10.088 1.00 -0.46 N ATOM 1037 CA ASP A 66 -1.732 7.660 11.322 1.00 0.04 C ATOM 1038 C ASP A 66 -2.677 7.608 12.526 1.00 0.62 C ATOM 1039 O ASP A 66 -2.646 6.648 13.294 1.00 -0.50 O ATOM 1040 CB ASP A 66 -0.999 9.005 11.182 1.00 -0.40 C ATOM 1041 CG ASP A 66 -0.297 9.393 12.480 1.00 0.71 C ATOM 1042 OD1 ASP A 66 0.730 8.751 12.787 1.00 -0.72 O ATOM 1043 OD2 ASP A 66 -0.806 10.321 13.146 1.00 -0.72 O ATOM 0 H ASP A 66 -2.054 6.440 9.674 1.00 -0.46 H new ATOM 0 HA ASP A 66 -0.958 6.916 11.510 1.00 0.04 H new ATOM 0 HB2 ASP A 66 -0.268 8.941 10.376 1.00 -0.40 H new ATOM 0 HB3 ASP A 66 -1.711 9.782 10.905 1.00 -0.40 H new ATOM 1048 N GLY A 67 -3.518 8.637 12.683 1.00 -0.46 N ATOM 1049 CA GLY A 67 -4.514 8.738 13.736 1.00 0.04 C ATOM 1050 C GLY A 67 -5.764 9.429 13.201 1.00 0.62 C ATOM 1051 O GLY A 67 -6.250 10.385 13.803 1.00 -0.50 O ATOM 0 H GLY A 67 -3.518 9.443 12.057 1.00 -0.46 H new ATOM 0 HA2 GLY A 67 -4.767 7.745 14.106 1.00 0.04 H new ATOM 0 HA3 GLY A 67 -4.110 9.299 14.579 1.00 0.04 H new ATOM 1055 N LYS A 68 -6.284 8.937 12.069 1.00 -0.46 N ATOM 1056 CA LYS A 68 -7.504 9.434 11.452 1.00 0.04 C ATOM 1057 C LYS A 68 -8.180 8.280 10.713 1.00 0.62 C ATOM 1058 O LYS A 68 -7.650 7.786 9.719 1.00 -0.50 O ATOM 1059 CB LYS A 68 -7.183 10.611 10.520 1.00 -0.10 C ATOM 1060 CG LYS A 68 -8.468 11.254 9.985 1.00 -0.16 C ATOM 1061 CD LYS A 68 -8.135 12.493 9.149 1.00 -0.18 C ATOM 1062 CE LYS A 68 -9.419 13.163 8.648 1.00 -0.04 C ATOM 1063 NZ LYS A 68 -9.126 14.395 7.895 1.00 -0.14 N ATOM 0 H LYS A 68 -5.855 8.169 11.553 1.00 -0.46 H new ATOM 0 HA LYS A 68 -8.192 9.809 12.210 1.00 0.04 H new ATOM 0 HB2 LYS A 68 -6.596 11.356 11.058 1.00 -0.10 H new ATOM 0 HB3 LYS A 68 -6.572 10.264 9.687 1.00 -0.10 H new ATOM 0 HG2 LYS A 68 -9.017 10.534 9.378 1.00 -0.16 H new ATOM 0 HG3 LYS A 68 -9.117 11.531 10.816 1.00 -0.16 H new ATOM 0 HD2 LYS A 68 -7.559 13.199 9.748 1.00 -0.18 H new ATOM 0 HD3 LYS A 68 -7.511 12.210 8.301 1.00 -0.18 H new ATOM 0 HE2 LYS A 68 -9.969 12.469 8.012 1.00 -0.04 H new ATOM 0 HE3 LYS A 68 -10.063 13.398 9.496 1.00 -0.04 H new ATOM 0 HZ1 LYS A 68 -10.016 14.823 7.570 1.00 -0.14 H new ATOM 0 HZ2 LYS A 68 -8.623 15.066 8.510 1.00 -0.14 H new ATOM 0 HZ3 LYS A 68 -8.532 14.166 7.073 1.00 -0.14 H new ATOM 1077 N GLU A 69 -9.347 7.861 11.216 1.00 -0.46 N ATOM 1078 CA GLU A 69 -10.137 6.762 10.685 1.00 0.04 C ATOM 1079 C GLU A 69 -10.965 7.245 9.493 1.00 0.62 C ATOM 1080 O GLU A 69 -12.146 7.558 9.641 1.00 -0.50 O ATOM 1081 CB GLU A 69 -11.038 6.211 11.800 1.00 -0.18 C ATOM 1082 CG GLU A 69 -10.216 5.552 12.913 1.00 -0.40 C ATOM 1083 CD GLU A 69 -11.132 4.944 13.970 1.00 0.71 C ATOM 1084 OE1 GLU A 69 -11.603 3.813 13.728 1.00 -0.72 O ATOM 1085 OE2 GLU A 69 -11.355 5.629 14.992 1.00 -0.72 O ATOM 0 H GLU A 69 -9.776 8.298 12.032 1.00 -0.46 H new ATOM 0 HA GLU A 69 -9.482 5.964 10.336 1.00 0.04 H new ATOM 0 HB2 GLU A 69 -11.636 7.020 12.219 1.00 -0.18 H new ATOM 0 HB3 GLU A 69 -11.734 5.484 11.381 1.00 -0.18 H new ATOM 0 HG2 GLU A 69 -9.576 4.778 12.490 1.00 -0.40 H new ATOM 0 HG3 GLU A 69 -9.560 6.291 13.374 1.00 -0.40 H new ATOM 1092 N ILE A 70 -10.351 7.296 8.305 1.00 -0.46 N ATOM 1093 CA ILE A 70 -11.043 7.670 7.080 1.00 0.04 C ATOM 1094 C ILE A 70 -11.863 6.466 6.613 1.00 0.62 C ATOM 1095 O ILE A 70 -11.303 5.488 6.120 1.00 -0.50 O ATOM 1096 CB ILE A 70 -10.052 8.157 6.003 1.00 -0.01 C ATOM 1097 CG1 ILE A 70 -9.185 9.302 6.556 1.00 -0.05 C ATOM 1098 CG2 ILE A 70 -10.828 8.616 4.757 1.00 -0.09 C ATOM 1099 CD1 ILE A 70 -8.277 9.937 5.497 1.00 -0.09 C ATOM 0 H ILE A 70 -9.363 7.079 8.173 1.00 -0.46 H new ATOM 0 HA ILE A 70 -11.713 8.509 7.267 1.00 0.04 H new ATOM 0 HB ILE A 70 -9.392 7.336 5.723 1.00 -0.01 H new ATOM 0 HG12 ILE A 70 -9.834 10.070 6.977 1.00 -0.05 H new ATOM 0 HG13 ILE A 70 -8.570 8.922 7.372 1.00 -0.05 H new ATOM 0 HG21 ILE A 70 -10.126 8.960 3.997 1.00 -0.09 H new ATOM 0 HG22 ILE A 70 -11.410 7.783 4.363 1.00 -0.09 H new ATOM 0 HG23 ILE A 70 -11.499 9.432 5.026 1.00 -0.09 H new ATOM 0 HD11 ILE A 70 -7.692 10.737 5.951 1.00 -0.09 H new ATOM 0 HD12 ILE A 70 -7.604 9.180 5.093 1.00 -0.09 H new ATOM 0 HD13 ILE A 70 -8.888 10.346 4.692 1.00 -0.09 H new ATOM 1111 N LYS A 71 -13.189 6.543 6.771 1.00 -0.46 N ATOM 1112 CA LYS A 71 -14.108 5.513 6.314 1.00 0.04 C ATOM 1113 C LYS A 71 -14.245 5.589 4.793 1.00 0.62 C ATOM 1114 O LYS A 71 -14.497 6.661 4.244 1.00 -0.50 O ATOM 1115 CB LYS A 71 -15.470 5.662 7.000 1.00 -0.10 C ATOM 1116 CG LYS A 71 -15.369 5.363 8.503 1.00 -0.16 C ATOM 1117 CD LYS A 71 -16.703 5.563 9.232 1.00 -0.18 C ATOM 1118 CE LYS A 71 -17.781 4.574 8.772 1.00 -0.04 C ATOM 1119 NZ LYS A 71 -18.998 4.681 9.596 1.00 -0.14 N ATOM 0 H LYS A 71 -13.651 7.331 7.224 1.00 -0.46 H new ATOM 0 HA LYS A 71 -13.711 4.533 6.581 1.00 0.04 H new ATOM 0 HB2 LYS A 71 -15.846 6.674 6.852 1.00 -0.10 H new ATOM 0 HB3 LYS A 71 -16.189 4.984 6.539 1.00 -0.10 H new ATOM 0 HG2 LYS A 71 -15.032 4.336 8.644 1.00 -0.16 H new ATOM 0 HG3 LYS A 71 -14.614 6.010 8.949 1.00 -0.16 H new ATOM 0 HD2 LYS A 71 -16.547 5.451 10.305 1.00 -0.18 H new ATOM 0 HD3 LYS A 71 -17.055 6.581 9.066 1.00 -0.18 H new ATOM 0 HE2 LYS A 71 -18.029 4.764 7.728 1.00 -0.04 H new ATOM 0 HE3 LYS A 71 -17.391 3.558 8.827 1.00 -0.04 H new ATOM 0 HZ1 LYS A 71 -19.707 3.999 9.259 1.00 -0.14 H new ATOM 0 HZ2 LYS A 71 -18.765 4.475 10.588 1.00 -0.14 H new ATOM 0 HZ3 LYS A 71 -19.383 5.644 9.523 1.00 -0.14 H new ATOM 1133 N VAL A 72 -14.068 4.445 4.125 1.00 -0.46 N ATOM 1134 CA VAL A 72 -14.125 4.309 2.674 1.00 0.04 C ATOM 1135 C VAL A 72 -14.958 3.078 2.315 1.00 0.62 C ATOM 1136 O VAL A 72 -15.228 2.256 3.188 1.00 -0.50 O ATOM 1137 CB VAL A 72 -12.706 4.219 2.087 1.00 -0.01 C ATOM 1138 CG1 VAL A 72 -11.858 5.456 2.409 1.00 -0.09 C ATOM 1139 CG2 VAL A 72 -11.976 2.968 2.584 1.00 -0.09 C ATOM 0 H VAL A 72 -13.875 3.562 4.598 1.00 -0.46 H new ATOM 0 HA VAL A 72 -14.601 5.189 2.242 1.00 0.04 H new ATOM 0 HB VAL A 72 -12.832 4.162 1.006 1.00 -0.01 H new ATOM 0 HG11 VAL A 72 -10.866 5.341 1.972 1.00 -0.09 H new ATOM 0 HG12 VAL A 72 -12.337 6.343 1.995 1.00 -0.09 H new ATOM 0 HG13 VAL A 72 -11.768 5.564 3.490 1.00 -0.09 H new ATOM 0 HG21 VAL A 72 -10.976 2.934 2.151 1.00 -0.09 H new ATOM 0 HG22 VAL A 72 -11.900 2.999 3.671 1.00 -0.09 H new ATOM 0 HG23 VAL A 72 -12.532 2.079 2.284 1.00 -0.09 H new ATOM 1149 N LYS A 73 -15.355 2.940 1.042 1.00 -0.46 N ATOM 1150 CA LYS A 73 -16.119 1.791 0.552 1.00 0.04 C ATOM 1151 C LYS A 73 -15.431 1.076 -0.622 1.00 0.62 C ATOM 1152 O LYS A 73 -16.019 0.150 -1.177 1.00 -0.50 O ATOM 1153 CB LYS A 73 -17.553 2.231 0.211 1.00 -0.10 C ATOM 1154 CG LYS A 73 -18.537 1.043 0.163 1.00 -0.16 C ATOM 1155 CD LYS A 73 -19.161 0.811 -1.221 1.00 -0.18 C ATOM 1156 CE LYS A 73 -20.414 1.662 -1.459 1.00 -0.04 C ATOM 1157 NZ LYS A 73 -20.130 3.107 -1.422 1.00 -0.14 N ATOM 0 H LYS A 73 -15.151 3.631 0.320 1.00 -0.46 H new ATOM 0 HA LYS A 73 -16.164 1.049 1.349 1.00 0.04 H new ATOM 0 HB2 LYS A 73 -17.895 2.953 0.953 1.00 -0.10 H new ATOM 0 HB3 LYS A 73 -17.555 2.740 -0.753 1.00 -0.10 H new ATOM 0 HG2 LYS A 73 -18.014 0.138 0.472 1.00 -0.16 H new ATOM 0 HG3 LYS A 73 -19.334 1.214 0.887 1.00 -0.16 H new ATOM 0 HD2 LYS A 73 -18.422 1.037 -1.990 1.00 -0.18 H new ATOM 0 HD3 LYS A 73 -19.418 -0.243 -1.326 1.00 -0.18 H new ATOM 0 HE2 LYS A 73 -20.846 1.405 -2.426 1.00 -0.04 H new ATOM 0 HE3 LYS A 73 -21.161 1.422 -0.702 1.00 -0.04 H new ATOM 0 HZ1 LYS A 73 -20.964 3.633 -1.753 1.00 -0.14 H new ATOM 0 HZ2 LYS A 73 -19.905 3.392 -0.447 1.00 -0.14 H new ATOM 0 HZ3 LYS A 73 -19.320 3.318 -2.040 1.00 -0.14 H new ATOM 1171 N ALA A 74 -14.198 1.472 -0.985 1.00 -0.46 N ATOM 1172 CA ALA A 74 -13.381 0.869 -2.041 1.00 0.04 C ATOM 1173 C ALA A 74 -13.966 1.088 -3.445 1.00 0.62 C ATOM 1174 O ALA A 74 -15.063 0.620 -3.747 1.00 -0.50 O ATOM 1175 CB ALA A 74 -13.064 -0.601 -1.738 1.00 -0.10 C ATOM 0 H ALA A 74 -13.728 2.254 -0.528 1.00 -0.46 H new ATOM 0 HA ALA A 74 -12.427 1.396 -2.047 1.00 0.04 H new ATOM 0 HB1 ALA A 74 -12.457 -1.016 -2.543 1.00 -0.10 H new ATOM 0 HB2 ALA A 74 -12.516 -0.669 -0.798 1.00 -0.10 H new ATOM 0 HB3 ALA A 74 -13.994 -1.165 -1.658 1.00 -0.10 H new ATOM 1181 N GLN A 75 -13.225 1.812 -4.298 1.00 -0.46 N ATOM 1182 CA GLN A 75 -13.634 2.203 -5.644 1.00 0.04 C ATOM 1183 C GLN A 75 -13.062 1.184 -6.645 1.00 0.62 C ATOM 1184 O GLN A 75 -13.326 -0.008 -6.489 1.00 -0.50 O ATOM 1185 CB GLN A 75 -13.227 3.675 -5.864 1.00 -0.10 C ATOM 1186 CG GLN A 75 -14.204 4.458 -6.750 1.00 -0.10 C ATOM 1187 CD GLN A 75 -14.124 4.039 -8.210 1.00 0.68 C ATOM 1188 OE1 GLN A 75 -14.968 3.287 -8.691 1.00 -0.47 O ATOM 1189 NE2 GLN A 75 -13.097 4.521 -8.913 1.00 -0.87 N ATOM 0 H GLN A 75 -12.294 2.150 -4.055 1.00 -0.46 H new ATOM 0 HA GLN A 75 -14.713 2.175 -5.796 1.00 0.04 H new ATOM 0 HB2 GLN A 75 -13.151 4.170 -4.896 1.00 -0.10 H new ATOM 0 HB3 GLN A 75 -12.236 3.705 -6.316 1.00 -0.10 H new ATOM 0 HG2 GLN A 75 -15.221 4.308 -6.387 1.00 -0.10 H new ATOM 0 HG3 GLN A 75 -13.991 5.524 -6.668 1.00 -0.10 H new ATOM 0 HE21 GLN A 75 -12.422 5.143 -8.468 1.00 -0.87 H new ATOM 0 HE22 GLN A 75 -12.987 4.268 -9.895 1.00 -0.87 H new ATOM 1198 N ASP A 76 -12.266 1.606 -7.640 1.00 -0.46 N ATOM 1199 CA ASP A 76 -11.627 0.710 -8.602 1.00 0.04 C ATOM 1200 C ASP A 76 -10.354 0.117 -7.994 1.00 0.62 C ATOM 1201 O ASP A 76 -9.256 0.297 -8.515 1.00 -0.50 O ATOM 1202 CB ASP A 76 -11.329 1.458 -9.913 1.00 -0.40 C ATOM 1203 CG ASP A 76 -12.587 1.849 -10.686 1.00 0.71 C ATOM 1204 OD1 ASP A 76 -13.502 1.002 -10.770 1.00 -0.72 O ATOM 1205 OD2 ASP A 76 -12.605 2.991 -11.200 1.00 -0.72 O ATOM 0 H ASP A 76 -12.049 2.590 -7.796 1.00 -0.46 H new ATOM 0 HA ASP A 76 -12.305 -0.110 -8.836 1.00 0.04 H new ATOM 0 HB2 ASP A 76 -10.755 2.357 -9.688 1.00 -0.40 H new ATOM 0 HB3 ASP A 76 -10.702 0.831 -10.547 1.00 -0.40 H new ATOM 1210 N VAL A 77 -10.515 -0.620 -6.889 1.00 -0.46 N ATOM 1211 CA VAL A 77 -9.430 -1.331 -6.235 1.00 0.04 C ATOM 1212 C VAL A 77 -9.023 -2.521 -7.108 1.00 0.62 C ATOM 1213 O VAL A 77 -9.882 -3.297 -7.525 1.00 -0.50 O ATOM 1214 CB VAL A 77 -9.835 -1.722 -4.800 1.00 -0.01 C ATOM 1215 CG1 VAL A 77 -10.167 -0.465 -3.988 1.00 -0.09 C ATOM 1216 CG2 VAL A 77 -11.027 -2.684 -4.723 1.00 -0.09 C ATOM 0 H VAL A 77 -11.416 -0.736 -6.425 1.00 -0.46 H new ATOM 0 HA VAL A 77 -8.553 -0.692 -6.129 1.00 0.04 H new ATOM 0 HB VAL A 77 -8.974 -2.248 -4.387 1.00 -0.01 H new ATOM 0 HG11 VAL A 77 -10.452 -0.751 -2.975 1.00 -0.09 H new ATOM 0 HG12 VAL A 77 -9.293 0.185 -3.949 1.00 -0.09 H new ATOM 0 HG13 VAL A 77 -10.993 0.066 -4.461 1.00 -0.09 H new ATOM 0 HG21 VAL A 77 -11.247 -2.908 -3.679 1.00 -0.09 H new ATOM 0 HG22 VAL A 77 -11.899 -2.221 -5.186 1.00 -0.09 H new ATOM 0 HG23 VAL A 77 -10.784 -3.607 -5.249 1.00 -0.09 H new ATOM 1226 N GLN A 78 -7.727 -2.629 -7.435 1.00 -0.46 N ATOM 1227 CA GLN A 78 -7.224 -3.598 -8.401 1.00 0.04 C ATOM 1228 C GLN A 78 -6.664 -4.820 -7.669 1.00 0.62 C ATOM 1229 O GLN A 78 -5.709 -4.702 -6.902 1.00 -0.50 O ATOM 1230 CB GLN A 78 -6.187 -2.926 -9.311 1.00 -0.10 C ATOM 1231 CG GLN A 78 -5.846 -3.805 -10.519 1.00 -0.10 C ATOM 1232 CD GLN A 78 -4.988 -3.057 -11.537 1.00 0.68 C ATOM 1233 OE1 GLN A 78 -3.830 -3.402 -11.753 1.00 -0.47 O ATOM 1234 NE2 GLN A 78 -5.559 -2.035 -12.177 1.00 -0.87 N ATOM 0 H GLN A 78 -6.999 -2.040 -7.030 1.00 -0.46 H new ATOM 0 HA GLN A 78 -8.034 -3.952 -9.038 1.00 0.04 H new ATOM 0 HB2 GLN A 78 -6.571 -1.966 -9.655 1.00 -0.10 H new ATOM 0 HB3 GLN A 78 -5.280 -2.721 -8.742 1.00 -0.10 H new ATOM 0 HG2 GLN A 78 -5.317 -4.697 -10.183 1.00 -0.10 H new ATOM 0 HG3 GLN A 78 -6.767 -4.141 -10.996 1.00 -0.10 H new ATOM 0 HE21 GLN A 78 -6.524 -1.779 -11.970 1.00 -0.87 H new ATOM 0 HE22 GLN A 78 -5.030 -1.510 -12.874 1.00 -0.87 H new ATOM 1243 N ARG A 79 -7.277 -5.986 -7.914 1.00 -0.46 N ATOM 1244 CA ARG A 79 -6.937 -7.266 -7.306 1.00 0.04 C ATOM 1245 C ARG A 79 -6.327 -8.185 -8.369 1.00 0.62 C ATOM 1246 O ARG A 79 -6.254 -7.817 -9.541 1.00 -0.50 O ATOM 1247 CB ARG A 79 -8.189 -7.921 -6.696 1.00 -0.08 C ATOM 1248 CG ARG A 79 -9.085 -6.965 -5.888 1.00 -0.10 C ATOM 1249 CD ARG A 79 -10.217 -6.353 -6.727 1.00 -0.23 C ATOM 1250 NE ARG A 79 -11.158 -7.359 -7.235 1.00 -0.32 N ATOM 1251 CZ ARG A 79 -12.155 -7.095 -8.096 1.00 0.76 C ATOM 1252 NH1 ARG A 79 -12.364 -5.846 -8.538 1.00 -0.62 N ATOM 1253 NH2 ARG A 79 -12.951 -8.088 -8.515 1.00 -0.62 N ATOM 0 H ARG A 79 -8.055 -6.059 -8.570 1.00 -0.46 H new ATOM 0 HA ARG A 79 -6.213 -7.102 -6.508 1.00 0.04 H new ATOM 0 HB2 ARG A 79 -8.781 -8.360 -7.499 1.00 -0.08 H new ATOM 0 HB3 ARG A 79 -7.875 -8.739 -6.047 1.00 -0.08 H new ATOM 0 HG2 ARG A 79 -9.516 -7.505 -5.045 1.00 -0.10 H new ATOM 0 HG3 ARG A 79 -8.472 -6.164 -5.474 1.00 -0.10 H new ATOM 0 HD2 ARG A 79 -10.760 -5.627 -6.121 1.00 -0.23 H new ATOM 0 HD3 ARG A 79 -9.786 -5.808 -7.567 1.00 -0.23 H new ATOM 0 HE ARG A 79 -11.048 -8.321 -6.913 1.00 -0.32 H new ATOM 0 HH11 ARG A 79 -11.763 -5.085 -8.221 1.00 -0.62 H new ATOM 0 HH12 ARG A 79 -13.124 -5.657 -9.192 1.00 -0.62 H new ATOM 0 HH21 ARG A 79 -12.799 -9.039 -8.180 1.00 -0.62 H new ATOM 0 HH22 ARG A 79 -13.709 -7.893 -9.169 1.00 -0.62 H new ATOM 1267 N HIS A 80 -5.921 -9.398 -7.968 1.00 -0.46 N ATOM 1268 CA HIS A 80 -5.399 -10.407 -8.881 1.00 0.04 C ATOM 1269 C HIS A 80 -5.596 -11.799 -8.258 1.00 0.62 C ATOM 1270 O HIS A 80 -4.980 -12.082 -7.233 1.00 -0.50 O ATOM 1271 CB HIS A 80 -3.917 -10.119 -9.163 1.00 -0.10 C ATOM 1272 CG HIS A 80 -3.306 -10.992 -10.231 1.00 -0.03 C ATOM 1273 ND1 HIS A 80 -3.960 -11.557 -11.302 1.00 -0.15 N ATOM 1274 CD2 HIS A 80 -1.973 -11.272 -10.371 1.00 0.20 C ATOM 1275 CE1 HIS A 80 -3.038 -12.178 -12.057 1.00 0.24 C ATOM 1276 NE2 HIS A 80 -1.812 -12.039 -11.528 1.00 -0.50 N ATOM 0 H HIS A 80 -5.948 -9.702 -6.995 1.00 -0.46 H new ATOM 0 HA HIS A 80 -5.935 -10.379 -9.830 1.00 0.04 H new ATOM 0 HB2 HIS A 80 -3.812 -9.075 -9.460 1.00 -0.10 H new ATOM 0 HB3 HIS A 80 -3.352 -10.246 -8.239 1.00 -0.10 H new ATOM 0 HD2 HIS A 80 -1.184 -10.956 -9.704 1.00 0.20 H new ATOM 0 HE1 HIS A 80 -3.254 -12.717 -12.968 1.00 0.24 H new ATOM 0 HE2 HIS A 80 -0.939 -12.417 -11.896 1.00 -0.50 H new ATOM 1284 N PRO A 81 -6.457 -12.667 -8.825 1.00 -0.23 N ATOM 1285 CA PRO A 81 -6.725 -13.987 -8.269 1.00 0.04 C ATOM 1286 C PRO A 81 -5.583 -14.969 -8.543 1.00 0.53 C ATOM 1287 O PRO A 81 -5.116 -15.627 -7.616 1.00 -0.50 O ATOM 1288 CB PRO A 81 -8.035 -14.459 -8.907 1.00 -0.12 C ATOM 1289 CG PRO A 81 -8.112 -13.684 -10.222 1.00 -0.12 C ATOM 1290 CD PRO A 81 -7.349 -12.389 -9.943 1.00 -0.01 C ATOM 0 HA PRO A 81 -6.808 -13.938 -7.183 1.00 0.04 H new ATOM 0 HB2 PRO A 81 -8.029 -15.535 -9.079 1.00 -0.12 H new ATOM 0 HB3 PRO A 81 -8.890 -14.243 -8.267 1.00 -0.12 H new ATOM 0 HG2 PRO A 81 -7.660 -14.244 -11.041 1.00 -0.12 H new ATOM 0 HG3 PRO A 81 -9.145 -13.484 -10.506 1.00 -0.12 H new ATOM 0 HD2 PRO A 81 -6.784 -12.075 -10.821 1.00 -0.01 H new ATOM 0 HD3 PRO A 81 -8.036 -11.579 -9.699 1.00 -0.01 H new ATOM 1298 N TYR A 82 -5.165 -15.091 -9.811 1.00 -0.46 N ATOM 1299 CA TYR A 82 -4.226 -16.111 -10.271 1.00 0.04 C ATOM 1300 C TYR A 82 -2.929 -16.109 -9.461 1.00 0.62 C ATOM 1301 O TYR A 82 -2.467 -17.172 -9.053 1.00 -0.50 O ATOM 1302 CB TYR A 82 -3.936 -15.930 -11.765 1.00 -0.10 C ATOM 1303 CG TYR A 82 -5.120 -16.237 -12.662 1.00 -0.03 C ATOM 1304 CD1 TYR A 82 -5.403 -17.571 -13.008 1.00 0.00 C ATOM 1305 CD2 TYR A 82 -5.961 -15.203 -13.117 1.00 0.00 C ATOM 1306 CE1 TYR A 82 -6.518 -17.872 -13.808 1.00 -0.26 C ATOM 1307 CE2 TYR A 82 -7.083 -15.506 -13.907 1.00 -0.26 C ATOM 1308 CZ TYR A 82 -7.362 -16.840 -14.255 1.00 0.46 C ATOM 1309 OH TYR A 82 -8.449 -17.129 -15.025 1.00 -0.53 O ATOM 0 H TYR A 82 -5.479 -14.469 -10.556 1.00 -0.46 H new ATOM 0 HA TYR A 82 -4.695 -17.083 -10.116 1.00 0.04 H new ATOM 0 HB2 TYR A 82 -3.616 -14.903 -11.941 1.00 -0.10 H new ATOM 0 HB3 TYR A 82 -3.104 -16.576 -12.045 1.00 -0.10 H new ATOM 0 HD1 TYR A 82 -4.761 -18.366 -12.658 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -5.744 -14.177 -12.859 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.727 -18.896 -14.080 1.00 -0.26 H new ATOM 0 HE2 TYR A 82 -7.732 -14.713 -14.248 1.00 -0.26 H new ATOM 0 HH TYR A 82 -8.924 -16.300 -15.245 1.00 -0.53 H new ATOM 1319 N LYS A 83 -2.364 -14.920 -9.222 1.00 -0.46 N ATOM 1320 CA LYS A 83 -1.241 -14.727 -8.315 1.00 0.04 C ATOM 1321 C LYS A 83 -1.667 -13.683 -7.281 1.00 0.62 C ATOM 1322 O LYS A 83 -2.164 -12.631 -7.677 1.00 -0.50 O ATOM 1323 CB LYS A 83 -0.005 -14.262 -9.094 1.00 -0.10 C ATOM 1324 CG LYS A 83 0.406 -15.292 -10.155 1.00 -0.16 C ATOM 1325 CD LYS A 83 1.730 -14.931 -10.842 1.00 -0.18 C ATOM 1326 CE LYS A 83 1.621 -13.647 -11.673 1.00 -0.04 C ATOM 1327 NZ LYS A 83 2.848 -13.407 -12.453 1.00 -0.14 N ATOM 0 H LYS A 83 -2.683 -14.057 -9.662 1.00 -0.46 H new ATOM 0 HA LYS A 83 -0.975 -15.660 -7.818 1.00 0.04 H new ATOM 0 HB2 LYS A 83 -0.214 -13.306 -9.574 1.00 -0.10 H new ATOM 0 HB3 LYS A 83 0.822 -14.098 -8.403 1.00 -0.10 H new ATOM 0 HG2 LYS A 83 0.498 -16.273 -9.688 1.00 -0.16 H new ATOM 0 HG3 LYS A 83 -0.380 -15.369 -10.906 1.00 -0.16 H new ATOM 0 HD2 LYS A 83 2.507 -14.808 -10.088 1.00 -0.18 H new ATOM 0 HD3 LYS A 83 2.039 -15.754 -11.487 1.00 -0.18 H new ATOM 0 HE2 LYS A 83 0.768 -13.719 -12.347 1.00 -0.04 H new ATOM 0 HE3 LYS A 83 1.435 -12.799 -11.013 1.00 -0.04 H new ATOM 0 HZ1 LYS A 83 2.743 -12.531 -13.004 1.00 -0.14 H new ATOM 0 HZ2 LYS A 83 3.658 -13.314 -11.807 1.00 -0.14 H new ATOM 0 HZ3 LYS A 83 3.010 -14.206 -13.099 1.00 -0.14 H new ATOM 1341 N PRO A 84 -1.504 -13.942 -5.972 1.00 -0.23 N ATOM 1342 CA PRO A 84 -1.919 -13.025 -4.922 1.00 0.04 C ATOM 1343 C PRO A 84 -0.935 -11.854 -4.846 1.00 0.53 C ATOM 1344 O PRO A 84 -0.034 -11.847 -4.007 1.00 -0.50 O ATOM 1345 CB PRO A 84 -1.944 -13.873 -3.644 1.00 -0.12 C ATOM 1346 CG PRO A 84 -0.848 -14.908 -3.894 1.00 -0.12 C ATOM 1347 CD PRO A 84 -0.956 -15.161 -5.398 1.00 -0.01 C ATOM 0 HA PRO A 84 -2.897 -12.576 -5.095 1.00 0.04 H new ATOM 0 HB2 PRO A 84 -1.737 -13.273 -2.758 1.00 -0.12 H new ATOM 0 HB3 PRO A 84 -2.915 -14.343 -3.491 1.00 -0.12 H new ATOM 0 HG2 PRO A 84 0.136 -14.530 -3.617 1.00 -0.12 H new ATOM 0 HG3 PRO A 84 -1.013 -15.819 -3.318 1.00 -0.12 H new ATOM 0 HD2 PRO A 84 0.020 -15.389 -5.826 1.00 -0.01 H new ATOM 0 HD3 PRO A 84 -1.602 -16.014 -5.605 1.00 -0.01 H new ATOM 1355 N LYS A 85 -1.111 -10.867 -5.734 1.00 -0.46 N ATOM 1356 CA LYS A 85 -0.219 -9.725 -5.866 1.00 0.04 C ATOM 1357 C LYS A 85 -1.032 -8.454 -6.098 1.00 0.62 C ATOM 1358 O LYS A 85 -1.907 -8.428 -6.962 1.00 -0.50 O ATOM 1359 CB LYS A 85 0.774 -9.984 -7.006 1.00 -0.10 C ATOM 1360 CG LYS A 85 1.945 -8.998 -6.942 1.00 -0.16 C ATOM 1361 CD LYS A 85 2.944 -9.283 -8.069 1.00 -0.18 C ATOM 1362 CE LYS A 85 4.163 -8.357 -7.993 1.00 -0.04 C ATOM 1363 NZ LYS A 85 4.965 -8.592 -6.778 1.00 -0.14 N ATOM 0 H LYS A 85 -1.893 -10.846 -6.389 1.00 -0.46 H new ATOM 0 HA LYS A 85 0.350 -9.587 -4.947 1.00 0.04 H new ATOM 0 HB2 LYS A 85 1.149 -11.006 -6.943 1.00 -0.10 H new ATOM 0 HB3 LYS A 85 0.266 -9.890 -7.966 1.00 -0.10 H new ATOM 0 HG2 LYS A 85 1.574 -7.977 -7.026 1.00 -0.16 H new ATOM 0 HG3 LYS A 85 2.444 -9.078 -5.976 1.00 -0.16 H new ATOM 0 HD2 LYS A 85 3.271 -10.321 -8.011 1.00 -0.18 H new ATOM 0 HD3 LYS A 85 2.451 -9.157 -9.033 1.00 -0.18 H new ATOM 0 HE2 LYS A 85 4.787 -8.508 -8.874 1.00 -0.04 H new ATOM 0 HE3 LYS A 85 3.831 -7.319 -8.012 1.00 -0.04 H new ATOM 0 HZ1 LYS A 85 5.876 -8.098 -6.863 1.00 -0.14 H new ATOM 0 HZ2 LYS A 85 4.452 -8.232 -5.948 1.00 -0.14 H new ATOM 0 HZ3 LYS A 85 5.134 -9.612 -6.665 1.00 -0.14 H new ATOM 1377 N LEU A 86 -0.735 -7.403 -5.327 1.00 -0.46 N ATOM 1378 CA LEU A 86 -1.383 -6.106 -5.454 1.00 0.04 C ATOM 1379 C LEU A 86 -0.700 -5.291 -6.552 1.00 0.62 C ATOM 1380 O LEU A 86 0.448 -5.553 -6.914 1.00 -0.50 O ATOM 1381 CB LEU A 86 -1.324 -5.344 -4.122 1.00 -0.06 C ATOM 1382 CG LEU A 86 -2.377 -5.752 -3.078 1.00 -0.01 C ATOM 1383 CD1 LEU A 86 -3.791 -5.346 -3.509 1.00 -0.11 C ATOM 1384 CD2 LEU A 86 -2.332 -7.239 -2.722 1.00 -0.11 C ATOM 0 H LEU A 86 -0.029 -7.436 -4.591 1.00 -0.46 H new ATOM 0 HA LEU A 86 -2.429 -6.261 -5.720 1.00 0.04 H new ATOM 0 HB2 LEU A 86 -0.334 -5.483 -3.687 1.00 -0.06 H new ATOM 0 HB3 LEU A 86 -1.435 -4.279 -4.327 1.00 -0.06 H new ATOM 0 HG LEU A 86 -2.118 -5.202 -2.173 1.00 -0.01 H new ATOM 0 HD11 LEU A 86 -4.506 -5.652 -2.745 1.00 -0.11 H new ATOM 0 HD12 LEU A 86 -3.836 -4.264 -3.636 1.00 -0.11 H new ATOM 0 HD13 LEU A 86 -4.038 -5.833 -4.452 1.00 -0.11 H new ATOM 0 HD21 LEU A 86 -3.100 -7.459 -1.981 1.00 -0.11 H new ATOM 0 HD22 LEU A 86 -2.511 -7.833 -3.618 1.00 -0.11 H new ATOM 0 HD23 LEU A 86 -1.352 -7.486 -2.313 1.00 -0.11 H new ATOM 1396 N GLN A 87 -1.429 -4.300 -7.073 1.00 -0.46 N ATOM 1397 CA GLN A 87 -0.966 -3.365 -8.086 1.00 0.04 C ATOM 1398 C GLN A 87 -1.227 -1.948 -7.584 1.00 0.62 C ATOM 1399 O GLN A 87 -0.285 -1.187 -7.367 1.00 -0.50 O ATOM 1400 CB GLN A 87 -1.693 -3.638 -9.412 1.00 -0.10 C ATOM 1401 CG GLN A 87 -1.324 -4.991 -10.038 1.00 -0.10 C ATOM 1402 CD GLN A 87 0.099 -5.008 -10.594 1.00 0.68 C ATOM 1403 OE1 GLN A 87 0.311 -4.709 -11.767 1.00 -0.47 O ATOM 1404 NE2 GLN A 87 1.081 -5.368 -9.766 1.00 -0.87 N ATOM 0 H GLN A 87 -2.392 -4.126 -6.786 1.00 -0.46 H new ATOM 0 HA GLN A 87 0.102 -3.485 -8.267 1.00 0.04 H new ATOM 0 HB2 GLN A 87 -2.769 -3.605 -9.242 1.00 -0.10 H new ATOM 0 HB3 GLN A 87 -1.457 -2.842 -10.118 1.00 -0.10 H new ATOM 0 HG2 GLN A 87 -1.427 -5.775 -9.288 1.00 -0.10 H new ATOM 0 HG3 GLN A 87 -2.027 -5.221 -10.839 1.00 -0.10 H new ATOM 0 HE21 GLN A 87 0.869 -5.610 -8.798 1.00 -0.87 H new ATOM 0 HE22 GLN A 87 2.044 -5.401 -10.101 1.00 -0.87 H new ATOM 1413 N HIS A 88 -2.505 -1.602 -7.388 1.00 -0.46 N ATOM 1414 CA HIS A 88 -2.919 -0.303 -6.886 1.00 0.04 C ATOM 1415 C HIS A 88 -4.307 -0.422 -6.254 1.00 0.62 C ATOM 1416 O HIS A 88 -5.081 -1.312 -6.607 1.00 -0.50 O ATOM 1417 CB HIS A 88 -2.907 0.723 -8.026 1.00 -0.10 C ATOM 1418 CG HIS A 88 -3.073 2.136 -7.536 1.00 -0.03 C ATOM 1419 ND1 HIS A 88 -4.256 2.834 -7.455 1.00 -0.15 N ATOM 1420 CD2 HIS A 88 -2.088 2.925 -7.009 1.00 0.20 C ATOM 1421 CE1 HIS A 88 -3.978 4.024 -6.900 1.00 0.24 C ATOM 1422 NE2 HIS A 88 -2.671 4.129 -6.608 1.00 -0.50 N ATOM 0 H HIS A 88 -3.285 -2.231 -7.579 1.00 -0.46 H new ATOM 0 HA HIS A 88 -2.223 0.040 -6.121 1.00 0.04 H new ATOM 0 HB2 HIS A 88 -1.968 0.641 -8.574 1.00 -0.10 H new ATOM 0 HB3 HIS A 88 -3.707 0.490 -8.728 1.00 -0.10 H new ATOM 0 HD1 HIS A 88 -5.173 2.508 -7.760 1.00 -0.15 H new ATOM 0 HD2 HIS A 88 -1.044 2.663 -6.919 1.00 0.20 H new ATOM 0 HE1 HIS A 88 -4.709 4.796 -6.713 1.00 0.24 H new ATOM 1430 N ILE A 89 -4.602 0.472 -5.305 1.00 -0.46 N ATOM 1431 CA ILE A 89 -5.856 0.514 -4.567 1.00 0.04 C ATOM 1432 C ILE A 89 -6.397 1.946 -4.635 1.00 0.62 C ATOM 1433 O ILE A 89 -5.746 2.884 -4.175 1.00 -0.50 O ATOM 1434 CB ILE A 89 -5.616 0.018 -3.127 1.00 -0.01 C ATOM 1435 CG1 ILE A 89 -5.205 -1.467 -3.054 1.00 -0.05 C ATOM 1436 CG2 ILE A 89 -6.833 0.262 -2.231 1.00 -0.09 C ATOM 1437 CD1 ILE A 89 -6.306 -2.461 -3.441 1.00 -0.09 C ATOM 0 H ILE A 89 -3.951 1.206 -5.025 1.00 -0.46 H new ATOM 0 HA ILE A 89 -6.607 -0.147 -5.000 1.00 0.04 H new ATOM 0 HB ILE A 89 -4.777 0.608 -2.758 1.00 -0.01 H new ATOM 0 HG12 ILE A 89 -4.347 -1.624 -3.708 1.00 -0.05 H new ATOM 0 HG13 ILE A 89 -4.876 -1.688 -2.039 1.00 -0.05 H new ATOM 0 HG21 ILE A 89 -6.623 -0.102 -1.225 1.00 -0.09 H new ATOM 0 HG22 ILE A 89 -7.049 1.330 -2.193 1.00 -0.09 H new ATOM 0 HG23 ILE A 89 -7.695 -0.268 -2.636 1.00 -0.09 H new ATOM 0 HD11 ILE A 89 -5.923 -3.478 -3.359 1.00 -0.09 H new ATOM 0 HD12 ILE A 89 -7.158 -2.339 -2.772 1.00 -0.09 H new ATOM 0 HD13 ILE A 89 -6.621 -2.274 -4.468 1.00 -0.09 H new ATOM 1449 N ASP A 90 -7.588 2.098 -5.224 1.00 -0.46 N ATOM 1450 CA ASP A 90 -8.300 3.356 -5.371 1.00 0.04 C ATOM 1451 C ASP A 90 -9.533 3.295 -4.472 1.00 0.62 C ATOM 1452 O ASP A 90 -10.500 2.610 -4.797 1.00 -0.50 O ATOM 1453 CB ASP A 90 -8.695 3.547 -6.840 1.00 -0.40 C ATOM 1454 CG ASP A 90 -7.478 3.600 -7.762 1.00 0.71 C ATOM 1455 OD1 ASP A 90 -6.978 2.511 -8.121 1.00 -0.72 O ATOM 1456 OD2 ASP A 90 -7.055 4.731 -8.080 1.00 -0.72 O ATOM 0 H ASP A 90 -8.097 1.310 -5.625 1.00 -0.46 H new ATOM 0 HA ASP A 90 -7.677 4.202 -5.080 1.00 0.04 H new ATOM 0 HB2 ASP A 90 -9.347 2.730 -7.148 1.00 -0.40 H new ATOM 0 HB3 ASP A 90 -9.268 4.469 -6.944 1.00 -0.40 H new ATOM 1461 N PHE A 91 -9.492 3.990 -3.332 1.00 -0.46 N ATOM 1462 CA PHE A 91 -10.598 4.044 -2.387 1.00 0.04 C ATOM 1463 C PHE A 91 -11.551 5.191 -2.732 1.00 0.62 C ATOM 1464 O PHE A 91 -11.174 6.112 -3.451 1.00 -0.50 O ATOM 1465 CB PHE A 91 -10.053 4.203 -0.965 1.00 -0.10 C ATOM 1466 CG PHE A 91 -9.247 3.026 -0.450 1.00 -0.10 C ATOM 1467 CD1 PHE A 91 -9.909 1.842 -0.074 1.00 -0.15 C ATOM 1468 CD2 PHE A 91 -7.871 3.172 -0.184 1.00 -0.15 C ATOM 1469 CE1 PHE A 91 -9.207 0.820 0.587 1.00 -0.15 C ATOM 1470 CE2 PHE A 91 -7.178 2.163 0.507 1.00 -0.15 C ATOM 1471 CZ PHE A 91 -7.848 0.990 0.898 1.00 -0.15 C ATOM 0 H PHE A 91 -8.680 4.534 -3.041 1.00 -0.46 H new ATOM 0 HA PHE A 91 -11.161 3.113 -2.449 1.00 0.04 H new ATOM 0 HB2 PHE A 91 -9.428 5.095 -0.930 1.00 -0.10 H new ATOM 0 HB3 PHE A 91 -10.890 4.374 -0.289 1.00 -0.10 H new ATOM 0 HD1 PHE A 91 -10.959 1.719 -0.294 1.00 -0.15 H new ATOM 0 HD2 PHE A 91 -7.349 4.059 -0.511 1.00 -0.15 H new ATOM 0 HE1 PHE A 91 -9.712 -0.096 0.856 1.00 -0.15 H new ATOM 0 HE2 PHE A 91 -6.130 2.289 0.738 1.00 -0.15 H new ATOM 0 HZ PHE A 91 -7.317 0.220 1.438 1.00 -0.15 H new ATOM 1481 N VAL A 92 -12.778 5.138 -2.194 1.00 -0.46 N ATOM 1482 CA VAL A 92 -13.762 6.216 -2.249 1.00 0.04 C ATOM 1483 C VAL A 92 -14.307 6.442 -0.839 1.00 0.62 C ATOM 1484 O VAL A 92 -14.767 5.494 -0.205 1.00 -0.50 O ATOM 1485 CB VAL A 92 -14.880 5.913 -3.267 1.00 -0.01 C ATOM 1486 CG1 VAL A 92 -15.600 4.579 -3.025 1.00 -0.09 C ATOM 1487 CG2 VAL A 92 -15.911 7.047 -3.309 1.00 -0.09 C ATOM 0 H VAL A 92 -13.118 4.316 -1.694 1.00 -0.46 H new ATOM 0 HA VAL A 92 -13.287 7.133 -2.599 1.00 0.04 H new ATOM 0 HB VAL A 92 -14.373 5.831 -4.229 1.00 -0.01 H new ATOM 0 HG11 VAL A 92 -16.372 4.439 -3.782 1.00 -0.09 H new ATOM 0 HG12 VAL A 92 -14.881 3.762 -3.084 1.00 -0.09 H new ATOM 0 HG13 VAL A 92 -16.059 4.587 -2.036 1.00 -0.09 H new ATOM 0 HG21 VAL A 92 -16.687 6.806 -4.035 1.00 -0.09 H new ATOM 0 HG22 VAL A 92 -16.361 7.167 -2.323 1.00 -0.09 H new ATOM 0 HG23 VAL A 92 -15.419 7.976 -3.598 1.00 -0.09 H new ATOM 1497 N ARG A 93 -14.250 7.689 -0.353 1.00 -0.46 N ATOM 1498 CA ARG A 93 -14.750 8.068 0.963 1.00 0.04 C ATOM 1499 C ARG A 93 -16.242 7.764 1.090 1.00 0.62 C ATOM 1500 O ARG A 93 -17.032 8.140 0.226 1.00 -0.50 O ATOM 1501 CB ARG A 93 -14.457 9.548 1.233 1.00 -0.08 C ATOM 1502 CG ARG A 93 -12.962 9.748 1.516 1.00 -0.10 C ATOM 1503 CD ARG A 93 -12.598 11.233 1.554 1.00 -0.23 C ATOM 1504 NE ARG A 93 -11.204 11.419 1.975 1.00 -0.32 N ATOM 1505 CZ ARG A 93 -10.524 12.576 1.902 1.00 0.76 C ATOM 1506 NH1 ARG A 93 -11.077 13.666 1.355 1.00 -0.62 N ATOM 1507 NH2 ARG A 93 -9.279 12.641 2.389 1.00 -0.62 N ATOM 0 H ARG A 93 -13.849 8.469 -0.874 1.00 -0.46 H new ATOM 0 HA ARG A 93 -14.232 7.475 1.716 1.00 0.04 H new ATOM 0 HB2 ARG A 93 -14.756 10.148 0.374 1.00 -0.08 H new ATOM 0 HB3 ARG A 93 -15.045 9.894 2.083 1.00 -0.08 H new ATOM 0 HG2 ARG A 93 -12.705 9.284 2.468 1.00 -0.10 H new ATOM 0 HG3 ARG A 93 -12.374 9.247 0.747 1.00 -0.10 H new ATOM 0 HD2 ARG A 93 -12.746 11.673 0.568 1.00 -0.23 H new ATOM 0 HD3 ARG A 93 -13.263 11.757 2.241 1.00 -0.23 H new ATOM 0 HE ARG A 93 -10.714 10.608 2.352 1.00 -0.32 H new ATOM 0 HH11 ARG A 93 -12.027 13.625 0.986 1.00 -0.62 H new ATOM 0 HH12 ARG A 93 -10.548 14.537 1.307 1.00 -0.62 H new ATOM 0 HH21 ARG A 93 -8.853 11.816 2.812 1.00 -0.62 H new ATOM 0 HH22 ARG A 93 -8.756 13.515 2.337 1.00 -0.62 H new ATOM 1521 N ALA A 94 -16.615 7.069 2.172 1.00 -0.46 N ATOM 1522 CA ALA A 94 -17.977 6.633 2.431 1.00 0.04 C ATOM 1523 C ALA A 94 -18.808 7.810 2.933 1.00 0.62 C ATOM 1524 O ALA A 94 -18.988 7.993 4.138 1.00 -0.50 O ATOM 1525 CB ALA A 94 -17.955 5.470 3.429 1.00 -0.10 C ATOM 0 H ALA A 94 -15.958 6.793 2.902 1.00 -0.46 H new ATOM 0 HA ALA A 94 -18.443 6.275 1.513 1.00 0.04 H new ATOM 0 HB1 ALA A 94 -18.975 5.140 3.626 1.00 -0.10 H new ATOM 0 HB2 ALA A 94 -17.380 4.643 3.012 1.00 -0.10 H new ATOM 0 HB3 ALA A 94 -17.494 5.798 4.360 1.00 -0.10 H new TER 1531 ALA A 94