USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 725 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 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0535) USER MOD Single : A 14 ASN : amide:sc= -0.0142 X(o=-0.014,f=-0.0014) USER MOD Single : A 17 ASN : amide:sc= -0.502 K(o=-0.5,f=1.3) USER MOD Single : A 19 LYS NZ :NH3+ -179:sc= 0.596 (180deg=0.596) USER MOD Single : A 20 CYS SG : rot 57:sc= -1.41 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -1.23 X(o=-1.2,f=-1) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= -1.08! USER MOD Single : A 59 SER OG : rot -58:sc= 0.788 USER MOD Single : A 60 THR OG1 : rot 60:sc= 0.135 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.654 K(o=-0.65,f=-3.1!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.033) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl -111:sc= -3.36! (180deg=-5.93!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 1.151 -10.386 3.380 1.00 0.00 N ATOM 60 CA GLY A 7 1.619 -9.964 2.071 1.00 0.00 C ATOM 61 C GLY A 7 0.706 -8.887 1.483 1.00 0.00 C ATOM 62 O GLY A 7 1.158 -7.785 1.175 1.00 0.00 O ATOM 0 HA2 GLY A 7 2.636 -9.580 2.151 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.654 -10.822 1.400 1.00 0.00 H new ATOM 66 N LEU A 8 -0.563 -9.242 1.346 1.00 0.00 N ATOM 67 CA LEU A 8 -1.544 -8.319 0.801 1.00 0.00 C ATOM 68 C LEU A 8 -1.290 -6.920 1.365 1.00 0.00 C ATOM 69 O LEU A 8 -1.240 -5.945 0.617 1.00 0.00 O ATOM 70 CB LEU A 8 -2.963 -8.835 1.052 1.00 0.00 C ATOM 71 CG LEU A 8 -3.354 -10.112 0.306 1.00 0.00 C ATOM 72 CD1 LEU A 8 -4.721 -10.620 0.769 1.00 0.00 C ATOM 73 CD2 LEU A 8 -3.303 -9.900 -1.208 1.00 0.00 C ATOM 0 H LEU A 8 -0.935 -10.156 1.603 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.442 -8.250 -0.282 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.080 -9.012 2.121 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.668 -8.049 0.780 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.625 -10.886 0.547 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.975 -11.529 0.223 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.686 -10.836 1.837 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.476 -9.858 0.577 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.585 -10.823 -1.714 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.996 -9.106 -1.488 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.292 -9.619 -1.502 1.00 0.00 H new ATOM 85 N LYS A 9 -1.136 -6.865 2.680 1.00 0.00 N ATOM 86 CA LYS A 9 -0.888 -5.601 3.352 1.00 0.00 C ATOM 87 C LYS A 9 0.240 -4.859 2.634 1.00 0.00 C ATOM 88 O LYS A 9 0.029 -3.773 2.095 1.00 0.00 O ATOM 89 CB LYS A 9 -0.623 -5.830 4.842 1.00 0.00 C ATOM 90 CG LYS A 9 -1.831 -5.415 5.684 1.00 0.00 C ATOM 91 CD LYS A 9 -1.615 -5.759 7.159 1.00 0.00 C ATOM 92 CE LYS A 9 -2.856 -6.427 7.754 1.00 0.00 C ATOM 93 NZ LYS A 9 -2.468 -7.439 8.761 1.00 0.00 N ATOM 0 H LYS A 9 -1.178 -7.675 3.298 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.771 -4.964 3.303 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.397 -6.882 5.017 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.253 -5.260 5.151 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.002 -4.344 5.578 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.725 -5.918 5.317 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.757 -6.423 7.259 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.383 -4.852 7.717 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.496 -5.674 8.214 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.438 -6.898 6.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.322 -7.882 9.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.876 -8.166 8.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.933 -6.980 9.526 1.00 0.00 H new ATOM 107 N GLN A 10 1.414 -5.473 2.649 1.00 0.00 N ATOM 108 CA GLN A 10 2.576 -4.884 2.005 1.00 0.00 C ATOM 109 C GLN A 10 2.274 -4.586 0.535 1.00 0.00 C ATOM 110 O GLN A 10 2.716 -3.570 0.001 1.00 0.00 O ATOM 111 CB GLN A 10 3.798 -5.794 2.141 1.00 0.00 C ATOM 112 CG GLN A 10 5.065 -4.977 2.399 1.00 0.00 C ATOM 113 CD GLN A 10 6.226 -5.478 1.537 1.00 0.00 C ATOM 114 OE1 GLN A 10 6.985 -6.353 1.921 1.00 0.00 O ATOM 115 NE2 GLN A 10 6.321 -4.876 0.355 1.00 0.00 N ATOM 0 H GLN A 10 1.586 -6.373 3.097 1.00 0.00 H new ATOM 0 HA GLN A 10 2.807 -3.944 2.506 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.642 -6.498 2.959 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.920 -6.383 1.232 1.00 0.00 H new ATOM 0 HG2 GLN A 10 4.874 -3.926 2.183 1.00 0.00 H new ATOM 0 HG3 GLN A 10 5.335 -5.042 3.453 1.00 0.00 H new ATOM 0 HE21 GLN A 10 5.652 -4.151 0.097 1.00 0.00 H new ATOM 0 HE22 GLN A 10 7.063 -5.139 -0.293 1.00 0.00 H new ATOM 124 N LYS A 11 1.524 -5.490 -0.077 1.00 0.00 N ATOM 125 CA LYS A 11 1.158 -5.336 -1.475 1.00 0.00 C ATOM 126 C LYS A 11 0.322 -4.066 -1.642 1.00 0.00 C ATOM 127 O LYS A 11 0.722 -3.144 -2.350 1.00 0.00 O ATOM 128 CB LYS A 11 0.466 -6.600 -1.989 1.00 0.00 C ATOM 129 CG LYS A 11 1.467 -7.746 -2.153 1.00 0.00 C ATOM 130 CD LYS A 11 0.815 -9.093 -1.837 1.00 0.00 C ATOM 131 CE LYS A 11 1.156 -10.131 -2.908 1.00 0.00 C ATOM 132 NZ LYS A 11 2.613 -10.389 -2.935 1.00 0.00 N ATOM 0 H LYS A 11 1.160 -6.332 0.369 1.00 0.00 H new ATOM 0 HA LYS A 11 2.049 -5.215 -2.091 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.320 -6.896 -1.295 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.014 -6.393 -2.945 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.852 -7.754 -3.173 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.319 -7.587 -1.492 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.154 -9.445 -0.863 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.266 -8.972 -1.774 1.00 0.00 H new ATOM 0 HE2 LYS A 11 0.620 -11.059 -2.707 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.825 -9.777 -3.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.816 -11.167 -3.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.112 -9.532 -3.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.937 -10.650 -1.982 1.00 0.00 H new ATOM 146 N VAL A 12 -0.825 -4.059 -0.978 1.00 0.00 N ATOM 147 CA VAL A 12 -1.721 -2.917 -1.044 1.00 0.00 C ATOM 148 C VAL A 12 -0.968 -1.658 -0.608 1.00 0.00 C ATOM 149 O VAL A 12 -1.246 -0.564 -1.097 1.00 0.00 O ATOM 150 CB VAL A 12 -2.973 -3.185 -0.206 1.00 0.00 C ATOM 151 CG1 VAL A 12 -3.909 -1.975 -0.218 1.00 0.00 C ATOM 152 CG2 VAL A 12 -3.697 -4.443 -0.689 1.00 0.00 C ATOM 0 H VAL A 12 -1.154 -4.826 -0.392 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.060 -2.756 -2.067 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.658 -3.355 0.823 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.791 -2.191 0.385 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.390 -1.110 0.195 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.213 -1.761 -1.242 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.583 -4.611 -0.077 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.994 -4.315 -1.730 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.030 -5.301 -0.605 1.00 0.00 H new ATOM 162 N GLU A 13 -0.030 -1.854 0.306 1.00 0.00 N ATOM 163 CA GLU A 13 0.764 -0.748 0.813 1.00 0.00 C ATOM 164 C GLU A 13 1.489 -0.045 -0.336 1.00 0.00 C ATOM 165 O GLU A 13 1.451 1.180 -0.442 1.00 0.00 O ATOM 166 CB GLU A 13 1.756 -1.227 1.876 1.00 0.00 C ATOM 167 CG GLU A 13 1.153 -1.116 3.278 1.00 0.00 C ATOM 168 CD GLU A 13 0.922 0.347 3.661 1.00 0.00 C ATOM 169 OE1 GLU A 13 1.649 1.200 3.107 1.00 0.00 O ATOM 170 OE2 GLU A 13 0.024 0.579 4.499 1.00 0.00 O ATOM 0 H GLU A 13 0.198 -2.763 0.709 1.00 0.00 H new ATOM 0 HA GLU A 13 0.093 -0.031 1.286 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.036 -2.262 1.677 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.669 -0.634 1.821 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.209 -1.659 3.316 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.819 -1.585 4.002 1.00 0.00 H new ATOM 177 N ASN A 14 2.133 -0.850 -1.168 1.00 0.00 N ATOM 178 CA ASN A 14 2.866 -0.321 -2.306 1.00 0.00 C ATOM 179 C ASN A 14 1.877 0.267 -3.315 1.00 0.00 C ATOM 180 O ASN A 14 2.149 1.300 -3.926 1.00 0.00 O ATOM 181 CB ASN A 14 3.661 -1.422 -3.009 1.00 0.00 C ATOM 182 CG ASN A 14 5.157 -1.293 -2.713 1.00 0.00 C ATOM 183 OD1 ASN A 14 5.812 -0.337 -3.093 1.00 0.00 O ATOM 184 ND2 ASN A 14 5.658 -2.307 -2.013 1.00 0.00 N ATOM 0 H ASN A 14 2.163 -1.865 -1.077 1.00 0.00 H new ATOM 0 HA ASN A 14 3.553 0.442 -1.940 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.305 -2.399 -2.681 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.493 -1.366 -4.085 1.00 0.00 H new ATOM 0 HD21 ASN A 14 6.647 -2.315 -1.763 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.053 -3.077 -1.726 1.00 0.00 H new ATOM 191 N LEU A 15 0.751 -0.416 -3.458 1.00 0.00 N ATOM 192 CA LEU A 15 -0.279 0.026 -4.382 1.00 0.00 C ATOM 193 C LEU A 15 -0.516 1.526 -4.197 1.00 0.00 C ATOM 194 O LEU A 15 -0.193 2.323 -5.076 1.00 0.00 O ATOM 195 CB LEU A 15 -1.543 -0.821 -4.221 1.00 0.00 C ATOM 196 CG LEU A 15 -2.868 -0.112 -4.508 1.00 0.00 C ATOM 197 CD1 LEU A 15 -2.924 0.378 -5.956 1.00 0.00 C ATOM 198 CD2 LEU A 15 -4.057 -1.008 -4.159 1.00 0.00 C ATOM 0 H LEU A 15 0.529 -1.272 -2.950 1.00 0.00 H new ATOM 0 HA LEU A 15 0.046 -0.121 -5.412 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.465 -1.684 -4.883 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.572 -1.204 -3.201 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.931 0.768 -3.868 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.876 0.878 -6.134 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.107 1.077 -6.135 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.829 -0.472 -6.632 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.986 -0.479 -4.373 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.013 -1.920 -4.755 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.021 -1.265 -3.100 1.00 0.00 H new ATOM 210 N PHE A 16 -1.079 1.865 -3.046 1.00 0.00 N ATOM 211 CA PHE A 16 -1.363 3.256 -2.734 1.00 0.00 C ATOM 212 C PHE A 16 -0.140 4.137 -2.994 1.00 0.00 C ATOM 213 O PHE A 16 -0.192 5.050 -3.817 1.00 0.00 O ATOM 214 CB PHE A 16 -1.714 3.317 -1.246 1.00 0.00 C ATOM 215 CG PHE A 16 -2.936 2.482 -0.860 1.00 0.00 C ATOM 216 CD1 PHE A 16 -3.927 2.266 -1.766 1.00 0.00 C ATOM 217 CD2 PHE A 16 -3.032 1.954 0.390 1.00 0.00 C ATOM 218 CE1 PHE A 16 -5.061 1.491 -1.408 1.00 0.00 C ATOM 219 CE2 PHE A 16 -4.167 1.179 0.749 1.00 0.00 C ATOM 220 CZ PHE A 16 -5.157 0.964 -0.158 1.00 0.00 C ATOM 0 H PHE A 16 -1.346 1.201 -2.319 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.178 3.619 -3.360 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.856 2.976 -0.667 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -1.894 4.355 -0.968 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.851 2.685 -2.759 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.245 2.124 1.110 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.847 1.320 -2.128 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.244 0.761 1.742 1.00 0.00 H new ATOM 0 HZ PHE A 16 -6.020 0.374 0.114 1.00 0.00 H new ATOM 230 N ASN A 17 0.932 3.833 -2.277 1.00 0.00 N ATOM 231 CA ASN A 17 2.166 4.586 -2.419 1.00 0.00 C ATOM 232 C ASN A 17 2.433 4.843 -3.904 1.00 0.00 C ATOM 233 O ASN A 17 2.528 5.993 -4.331 1.00 0.00 O ATOM 234 CB ASN A 17 3.355 3.808 -1.853 1.00 0.00 C ATOM 235 CG ASN A 17 3.441 3.966 -0.334 1.00 0.00 C ATOM 236 OD1 ASN A 17 2.691 3.370 0.422 1.00 0.00 O ATOM 237 ND2 ASN A 17 4.395 4.801 0.070 1.00 0.00 N ATOM 0 H ASN A 17 0.971 3.075 -1.596 1.00 0.00 H new ATOM 0 HA ASN A 17 2.055 5.522 -1.872 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.258 2.753 -2.107 1.00 0.00 H new ATOM 0 HB3 ASN A 17 4.278 4.163 -2.312 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.533 4.974 1.066 1.00 0.00 H new ATOM 0 HD22 ASN A 17 4.988 5.268 -0.616 1.00 0.00 H new ATOM 244 N GLU A 18 2.546 3.754 -4.649 1.00 0.00 N ATOM 245 CA GLU A 18 2.800 3.846 -6.077 1.00 0.00 C ATOM 246 C GLU A 18 1.794 4.794 -6.734 1.00 0.00 C ATOM 247 O GLU A 18 2.170 5.851 -7.239 1.00 0.00 O ATOM 248 CB GLU A 18 2.761 2.464 -6.732 1.00 0.00 C ATOM 249 CG GLU A 18 4.174 1.960 -7.033 1.00 0.00 C ATOM 250 CD GLU A 18 4.409 1.854 -8.541 1.00 0.00 C ATOM 251 OE1 GLU A 18 4.613 2.921 -9.159 1.00 0.00 O ATOM 252 OE2 GLU A 18 4.379 0.709 -9.041 1.00 0.00 O ATOM 0 H GLU A 18 2.466 2.802 -4.291 1.00 0.00 H new ATOM 0 HA GLU A 18 3.801 4.251 -6.223 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.252 1.760 -6.074 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.184 2.511 -7.655 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.907 2.637 -6.594 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.323 0.985 -6.569 1.00 0.00 H new ATOM 259 N LYS A 19 0.536 4.381 -6.707 1.00 0.00 N ATOM 260 CA LYS A 19 -0.527 5.179 -7.294 1.00 0.00 C ATOM 261 C LYS A 19 -0.321 6.648 -6.920 1.00 0.00 C ATOM 262 O LYS A 19 -0.382 7.526 -7.779 1.00 0.00 O ATOM 263 CB LYS A 19 -1.896 4.628 -6.891 1.00 0.00 C ATOM 264 CG LYS A 19 -2.094 3.207 -7.424 1.00 0.00 C ATOM 265 CD LYS A 19 -2.319 3.216 -8.937 1.00 0.00 C ATOM 266 CE LYS A 19 -3.812 3.188 -9.270 1.00 0.00 C ATOM 267 NZ LYS A 19 -4.237 4.479 -9.855 1.00 0.00 N ATOM 0 H LYS A 19 0.228 3.504 -6.288 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.493 5.118 -8.382 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.987 4.629 -5.805 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.681 5.278 -7.277 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.220 2.600 -7.186 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.948 2.744 -6.928 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.863 4.106 -9.371 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.826 2.354 -9.387 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.019 2.379 -9.970 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.388 2.984 -8.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.256 4.449 -10.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.042 5.247 -9.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.712 4.650 -10.736 1.00 0.00 H new ATOM 281 N CYS A 20 -0.081 6.871 -5.636 1.00 0.00 N ATOM 282 CA CYS A 20 0.134 8.219 -5.137 1.00 0.00 C ATOM 283 C CYS A 20 1.048 8.954 -6.119 1.00 0.00 C ATOM 284 O CYS A 20 0.625 9.907 -6.772 1.00 0.00 O ATOM 285 CB CYS A 20 0.708 8.212 -3.719 1.00 0.00 C ATOM 286 SG CYS A 20 -0.379 9.170 -2.600 1.00 0.00 S ATOM 0 H CYS A 20 -0.031 6.141 -4.926 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.820 8.741 -5.069 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.801 7.187 -3.360 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.710 8.641 -3.721 1.00 0.00 H new ATOM 0 HG CYS A 20 -1.581 8.675 -2.633 1.00 0.00 H new ATOM 292 N GLY A 21 2.284 8.483 -6.193 1.00 0.00 N ATOM 293 CA GLY A 21 3.262 9.084 -7.085 1.00 0.00 C ATOM 294 C GLY A 21 2.693 9.240 -8.496 1.00 0.00 C ATOM 295 O GLY A 21 2.984 10.220 -9.182 1.00 0.00 O ATOM 0 H GLY A 21 2.631 7.692 -5.650 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.561 10.059 -6.699 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.159 8.466 -7.117 1.00 0.00 H new ATOM 299 N GLU A 22 1.893 8.260 -8.889 1.00 0.00 N ATOM 300 CA GLU A 22 1.281 8.276 -10.207 1.00 0.00 C ATOM 301 C GLU A 22 0.387 9.508 -10.362 1.00 0.00 C ATOM 302 O GLU A 22 0.434 10.190 -11.385 1.00 0.00 O ATOM 303 CB GLU A 22 0.492 6.990 -10.461 1.00 0.00 C ATOM 304 CG GLU A 22 1.023 6.256 -11.694 1.00 0.00 C ATOM 305 CD GLU A 22 -0.023 5.287 -12.248 1.00 0.00 C ATOM 306 OE1 GLU A 22 -1.223 5.604 -12.102 1.00 0.00 O ATOM 307 OE2 GLU A 22 0.401 4.251 -12.804 1.00 0.00 O ATOM 0 H GLU A 22 1.654 7.449 -8.318 1.00 0.00 H new ATOM 0 HA GLU A 22 2.073 8.330 -10.954 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.559 6.339 -9.589 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.563 7.228 -10.601 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.297 6.979 -12.462 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.929 5.709 -11.434 1.00 0.00 H new ATOM 314 N ALA A 23 -0.408 9.756 -9.331 1.00 0.00 N ATOM 315 CA ALA A 23 -1.312 10.894 -9.340 1.00 0.00 C ATOM 316 C ALA A 23 -0.524 12.163 -9.666 1.00 0.00 C ATOM 317 O ALA A 23 -0.901 12.920 -10.559 1.00 0.00 O ATOM 318 CB ALA A 23 -2.032 10.984 -7.993 1.00 0.00 C ATOM 0 H ALA A 23 -0.445 9.189 -8.484 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.074 10.773 -10.110 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.710 11.837 -7.999 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.601 10.070 -7.823 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.299 11.109 -7.196 1.00 0.00 H new ATOM 324 N LEU A 24 0.557 12.358 -8.924 1.00 0.00 N ATOM 325 CA LEU A 24 1.401 13.523 -9.124 1.00 0.00 C ATOM 326 C LEU A 24 2.009 13.473 -10.527 1.00 0.00 C ATOM 327 O LEU A 24 2.409 14.501 -11.071 1.00 0.00 O ATOM 328 CB LEU A 24 2.442 13.628 -8.007 1.00 0.00 C ATOM 329 CG LEU A 24 1.909 14.028 -6.629 1.00 0.00 C ATOM 330 CD1 LEU A 24 1.346 15.451 -6.652 1.00 0.00 C ATOM 331 CD2 LEU A 24 0.883 13.013 -6.122 1.00 0.00 C ATOM 0 H LEU A 24 0.867 11.729 -8.184 1.00 0.00 H new ATOM 0 HA LEU A 24 0.809 14.436 -9.065 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.945 12.666 -7.915 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.197 14.355 -8.308 1.00 0.00 H new ATOM 0 HG LEU A 24 2.741 14.022 -5.925 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.974 15.711 -5.661 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.133 16.149 -6.939 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.530 15.508 -7.373 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.520 13.321 -5.141 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.046 12.962 -6.819 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.350 12.031 -6.044 1.00 0.00 H new ATOM 343 N GLY A 25 2.058 12.267 -11.073 1.00 0.00 N ATOM 344 CA GLY A 25 2.609 12.070 -12.403 1.00 0.00 C ATOM 345 C GLY A 25 4.079 11.649 -12.330 1.00 0.00 C ATOM 346 O GLY A 25 4.882 12.037 -13.177 1.00 0.00 O ATOM 0 H GLY A 25 1.725 11.417 -10.619 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.034 11.308 -12.930 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.519 12.991 -12.978 1.00 0.00 H new ATOM 350 N LEU A 26 4.385 10.861 -11.311 1.00 0.00 N ATOM 351 CA LEU A 26 5.743 10.383 -11.116 1.00 0.00 C ATOM 352 C LEU A 26 5.825 8.911 -11.528 1.00 0.00 C ATOM 353 O LEU A 26 4.802 8.272 -11.765 1.00 0.00 O ATOM 354 CB LEU A 26 6.204 10.646 -9.681 1.00 0.00 C ATOM 355 CG LEU A 26 6.116 12.098 -9.205 1.00 0.00 C ATOM 356 CD1 LEU A 26 6.362 12.196 -7.698 1.00 0.00 C ATOM 357 CD2 LEU A 26 7.067 12.994 -10.000 1.00 0.00 C ATOM 0 H LEU A 26 3.716 10.541 -10.611 1.00 0.00 H new ATOM 0 HA LEU A 26 6.435 10.933 -11.754 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.608 10.027 -9.010 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.238 10.315 -9.586 1.00 0.00 H new ATOM 0 HG LEU A 26 5.104 12.458 -9.391 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.294 13.238 -7.385 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.612 11.608 -7.168 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.355 11.812 -7.466 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.985 14.020 -9.642 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.091 12.645 -9.868 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.804 12.956 -11.057 1.00 0.00 H new ATOM 369 N LYS A 27 7.053 8.418 -11.600 1.00 0.00 N ATOM 370 CA LYS A 27 7.282 7.034 -11.978 1.00 0.00 C ATOM 371 C LYS A 27 7.745 6.244 -10.753 1.00 0.00 C ATOM 372 O LYS A 27 8.181 5.100 -10.875 1.00 0.00 O ATOM 373 CB LYS A 27 8.248 6.955 -13.162 1.00 0.00 C ATOM 374 CG LYS A 27 7.488 6.855 -14.486 1.00 0.00 C ATOM 375 CD LYS A 27 7.829 5.556 -15.218 1.00 0.00 C ATOM 376 CE LYS A 27 8.019 5.804 -16.715 1.00 0.00 C ATOM 377 NZ LYS A 27 7.681 4.589 -17.489 1.00 0.00 N ATOM 0 H LYS A 27 7.899 8.952 -11.403 1.00 0.00 H new ATOM 0 HA LYS A 27 6.355 6.575 -12.321 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.889 7.837 -13.172 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.900 6.089 -13.047 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.415 6.900 -14.298 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.737 7.708 -15.117 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.739 5.126 -14.799 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.032 4.828 -15.065 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.388 6.633 -17.035 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.051 6.093 -16.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.816 4.775 -18.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.300 3.807 -17.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.689 4.330 -17.313 1.00 0.00 H new ATOM 391 N GLN A 28 7.634 6.885 -9.598 1.00 0.00 N ATOM 392 CA GLN A 28 8.036 6.257 -8.352 1.00 0.00 C ATOM 393 C GLN A 28 6.877 6.273 -7.352 1.00 0.00 C ATOM 394 O GLN A 28 5.784 6.736 -7.671 1.00 0.00 O ATOM 395 CB GLN A 28 9.274 6.940 -7.767 1.00 0.00 C ATOM 396 CG GLN A 28 8.981 8.401 -7.420 1.00 0.00 C ATOM 397 CD GLN A 28 10.120 9.313 -7.882 1.00 0.00 C ATOM 398 OE1 GLN A 28 11.257 8.899 -8.038 1.00 0.00 O ATOM 399 NE2 GLN A 28 9.752 10.574 -8.090 1.00 0.00 N ATOM 0 H GLN A 28 7.271 7.833 -9.500 1.00 0.00 H new ATOM 0 HA GLN A 28 8.298 5.219 -8.559 1.00 0.00 H new ATOM 0 HB2 GLN A 28 9.599 6.408 -6.873 1.00 0.00 H new ATOM 0 HB3 GLN A 28 10.094 6.890 -8.483 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.048 8.711 -7.892 1.00 0.00 H new ATOM 0 HG3 GLN A 28 8.843 8.502 -6.344 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.783 10.854 -7.940 1.00 0.00 H new ATOM 0 HE22 GLN A 28 10.439 11.261 -8.399 1.00 0.00 H new ATOM 408 N ALA A 29 7.158 5.761 -6.162 1.00 0.00 N ATOM 409 CA ALA A 29 6.153 5.710 -5.114 1.00 0.00 C ATOM 410 C ALA A 29 6.259 6.969 -4.250 1.00 0.00 C ATOM 411 O ALA A 29 7.329 7.567 -4.149 1.00 0.00 O ATOM 412 CB ALA A 29 6.329 4.427 -4.299 1.00 0.00 C ATOM 0 H ALA A 29 8.067 5.378 -5.901 1.00 0.00 H new ATOM 0 HA ALA A 29 5.151 5.688 -5.544 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.575 4.389 -3.513 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.216 3.562 -4.953 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.322 4.415 -3.850 1.00 0.00 H new ATOM 418 N VAL A 30 5.136 7.333 -3.650 1.00 0.00 N ATOM 419 CA VAL A 30 5.089 8.509 -2.799 1.00 0.00 C ATOM 420 C VAL A 30 4.198 8.223 -1.589 1.00 0.00 C ATOM 421 O VAL A 30 3.039 7.843 -1.743 1.00 0.00 O ATOM 422 CB VAL A 30 4.627 9.723 -3.608 1.00 0.00 C ATOM 423 CG1 VAL A 30 4.696 11.000 -2.768 1.00 0.00 C ATOM 424 CG2 VAL A 30 5.443 9.868 -4.894 1.00 0.00 C ATOM 0 H VAL A 30 4.251 6.834 -3.736 1.00 0.00 H new ATOM 0 HA VAL A 30 6.084 8.746 -2.421 1.00 0.00 H new ATOM 0 HB VAL A 30 3.586 9.562 -3.888 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.362 11.848 -3.367 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.052 10.896 -1.895 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.723 11.167 -2.443 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.094 10.738 -5.450 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.496 9.995 -4.644 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.321 8.974 -5.505 1.00 0.00 H new ATOM 434 N LYS A 31 4.774 8.417 -0.411 1.00 0.00 N ATOM 435 CA LYS A 31 4.046 8.184 0.825 1.00 0.00 C ATOM 436 C LYS A 31 2.609 8.684 0.667 1.00 0.00 C ATOM 437 O LYS A 31 2.332 9.533 -0.178 1.00 0.00 O ATOM 438 CB LYS A 31 4.788 8.807 2.009 1.00 0.00 C ATOM 439 CG LYS A 31 4.785 7.866 3.215 1.00 0.00 C ATOM 440 CD LYS A 31 4.828 8.654 4.526 1.00 0.00 C ATOM 441 CE LYS A 31 3.544 9.462 4.722 1.00 0.00 C ATOM 442 NZ LYS A 31 2.946 9.174 6.045 1.00 0.00 N ATOM 0 H LYS A 31 5.736 8.733 -0.287 1.00 0.00 H new ATOM 0 HA LYS A 31 3.990 7.117 1.040 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.815 9.032 1.721 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.319 9.753 2.280 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.892 7.241 3.191 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.644 7.197 3.161 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.962 7.968 5.363 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.687 9.325 4.523 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.761 10.527 4.639 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.831 9.220 3.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.075 9.731 6.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.720 8.161 6.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.622 9.428 6.794 1.00 0.00 H new ATOM 456 N VAL A 32 1.731 8.136 1.495 1.00 0.00 N ATOM 457 CA VAL A 32 0.329 8.516 1.458 1.00 0.00 C ATOM 458 C VAL A 32 0.009 9.386 2.675 1.00 0.00 C ATOM 459 O VAL A 32 0.006 8.902 3.806 1.00 0.00 O ATOM 460 CB VAL A 32 -0.550 7.267 1.369 1.00 0.00 C ATOM 461 CG1 VAL A 32 -2.011 7.602 1.672 1.00 0.00 C ATOM 462 CG2 VAL A 32 -0.413 6.597 0.000 1.00 0.00 C ATOM 0 H VAL A 32 1.964 7.432 2.195 1.00 0.00 H new ATOM 0 HA VAL A 32 0.118 9.110 0.569 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.205 6.560 2.124 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.614 6.697 1.602 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.089 8.013 2.679 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.373 8.336 0.952 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.048 5.712 -0.037 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.718 7.295 -0.779 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.625 6.306 -0.160 1.00 0.00 H new ATOM 472 N PRO A 33 -0.260 10.690 2.396 1.00 0.00 N ATOM 473 CA PRO A 33 -0.581 11.632 3.454 1.00 0.00 C ATOM 474 C PRO A 33 -2.005 11.412 3.970 1.00 0.00 C ATOM 475 O PRO A 33 -2.859 12.287 3.836 1.00 0.00 O ATOM 476 CB PRO A 33 -0.379 13.004 2.834 1.00 0.00 C ATOM 477 CG PRO A 33 -0.405 12.790 1.329 1.00 0.00 C ATOM 478 CD PRO A 33 -0.266 11.299 1.069 1.00 0.00 C ATOM 0 HA PRO A 33 0.053 11.510 4.333 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.165 13.692 3.144 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.569 13.440 3.150 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.336 13.166 0.906 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.407 13.338 0.851 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.092 10.924 0.465 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.653 11.076 0.527 1.00 0.00 H new ATOM 486 N PHE A 34 -2.216 10.240 4.550 1.00 0.00 N ATOM 487 CA PHE A 34 -3.521 9.895 5.086 1.00 0.00 C ATOM 488 C PHE A 34 -4.147 11.086 5.814 1.00 0.00 C ATOM 489 O PHE A 34 -5.332 11.369 5.644 1.00 0.00 O ATOM 490 CB PHE A 34 -3.307 8.757 6.086 1.00 0.00 C ATOM 491 CG PHE A 34 -3.083 7.390 5.436 1.00 0.00 C ATOM 492 CD1 PHE A 34 -4.138 6.694 4.935 1.00 0.00 C ATOM 493 CD2 PHE A 34 -1.828 6.872 5.357 1.00 0.00 C ATOM 494 CE1 PHE A 34 -3.930 5.426 4.331 1.00 0.00 C ATOM 495 CE2 PHE A 34 -1.619 5.604 4.753 1.00 0.00 C ATOM 496 CZ PHE A 34 -2.675 4.908 4.253 1.00 0.00 C ATOM 0 H PHE A 34 -1.505 9.517 4.660 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.191 9.605 4.276 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.448 8.995 6.713 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.174 8.697 6.744 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.135 7.106 4.996 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.990 7.425 5.754 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.768 4.873 3.934 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.622 5.193 4.691 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.517 3.943 3.794 1.00 0.00 H new ATOM 506 N ALA A 35 -3.323 11.753 6.609 1.00 0.00 N ATOM 507 CA ALA A 35 -3.782 12.907 7.363 1.00 0.00 C ATOM 508 C ALA A 35 -4.584 13.827 6.441 1.00 0.00 C ATOM 509 O ALA A 35 -5.713 14.200 6.759 1.00 0.00 O ATOM 510 CB ALA A 35 -2.580 13.616 7.992 1.00 0.00 C ATOM 0 H ALA A 35 -2.341 11.516 6.747 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.441 12.598 8.175 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.924 14.482 8.558 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.061 12.929 8.660 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.899 13.943 7.207 1.00 0.00 H new ATOM 516 N LEU A 36 -3.971 14.167 5.317 1.00 0.00 N ATOM 517 CA LEU A 36 -4.615 15.037 4.347 1.00 0.00 C ATOM 518 C LEU A 36 -6.015 14.502 4.040 1.00 0.00 C ATOM 519 O LEU A 36 -6.995 15.244 4.107 1.00 0.00 O ATOM 520 CB LEU A 36 -3.733 15.200 3.107 1.00 0.00 C ATOM 521 CG LEU A 36 -2.745 16.368 3.136 1.00 0.00 C ATOM 522 CD1 LEU A 36 -1.535 16.040 4.012 1.00 0.00 C ATOM 523 CD2 LEU A 36 -2.334 16.774 1.719 1.00 0.00 C ATOM 0 H LEU A 36 -3.035 13.856 5.056 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.739 16.040 4.756 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.171 14.278 2.962 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.380 15.319 2.238 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.244 17.227 3.585 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.848 16.886 4.016 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.867 15.838 5.030 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.026 15.162 3.615 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.632 17.606 1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.860 15.928 1.221 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.217 17.078 1.157 1.00 0.00 H new ATOM 535 N PHE A 37 -6.065 13.220 3.710 1.00 0.00 N ATOM 536 CA PHE A 37 -7.330 12.579 3.392 1.00 0.00 C ATOM 537 C PHE A 37 -8.241 12.525 4.620 1.00 0.00 C ATOM 538 O PHE A 37 -9.418 12.184 4.509 1.00 0.00 O ATOM 539 CB PHE A 37 -7.007 11.150 2.948 1.00 0.00 C ATOM 540 CG PHE A 37 -6.234 11.067 1.631 1.00 0.00 C ATOM 541 CD1 PHE A 37 -4.878 11.166 1.631 1.00 0.00 C ATOM 542 CD2 PHE A 37 -6.903 10.895 0.459 1.00 0.00 C ATOM 543 CE1 PHE A 37 -4.160 11.089 0.408 1.00 0.00 C ATOM 544 CE2 PHE A 37 -6.186 10.819 -0.764 1.00 0.00 C ATOM 545 CZ PHE A 37 -4.829 10.917 -0.764 1.00 0.00 C ATOM 0 H PHE A 37 -5.251 12.608 3.656 1.00 0.00 H new ATOM 0 HA PHE A 37 -7.847 13.140 2.614 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.426 10.660 3.730 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -7.938 10.593 2.846 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -4.347 11.303 2.561 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -7.980 10.816 0.459 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.083 11.167 0.408 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -6.718 10.683 -1.694 1.00 0.00 H new ATOM 0 HZ PHE A 37 -4.283 10.858 -1.694 1.00 0.00 H new ATOM 555 N GLU A 38 -7.663 12.867 5.762 1.00 0.00 N ATOM 556 CA GLU A 38 -8.408 12.862 7.009 1.00 0.00 C ATOM 557 C GLU A 38 -8.860 14.281 7.363 1.00 0.00 C ATOM 558 O GLU A 38 -10.055 14.541 7.494 1.00 0.00 O ATOM 559 CB GLU A 38 -7.579 12.252 8.141 1.00 0.00 C ATOM 560 CG GLU A 38 -7.602 13.148 9.381 1.00 0.00 C ATOM 561 CD GLU A 38 -7.147 12.378 10.622 1.00 0.00 C ATOM 562 OE1 GLU A 38 -5.933 12.088 10.697 1.00 0.00 O ATOM 563 OE2 GLU A 38 -8.023 12.096 11.468 1.00 0.00 O ATOM 0 H GLU A 38 -6.687 13.150 5.850 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.294 12.241 6.877 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.970 11.266 8.393 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.551 12.111 7.808 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.952 14.009 9.224 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.610 13.534 9.537 1.00 0.00 H new ATOM 570 N SER A 39 -7.880 15.161 7.507 1.00 0.00 N ATOM 571 CA SER A 39 -8.162 16.546 7.843 1.00 0.00 C ATOM 572 C SER A 39 -8.757 17.267 6.632 1.00 0.00 C ATOM 573 O SER A 39 -9.493 18.241 6.786 1.00 0.00 O ATOM 574 CB SER A 39 -6.899 17.265 8.320 1.00 0.00 C ATOM 575 OG SER A 39 -6.716 17.145 9.729 1.00 0.00 O ATOM 0 H SER A 39 -6.890 14.942 7.397 1.00 0.00 H new ATOM 0 HA SER A 39 -8.885 16.560 8.658 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.031 16.853 7.805 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.958 18.320 8.051 1.00 0.00 H new ATOM 0 HG SER A 39 -5.898 17.616 9.994 1.00 0.00 H new ATOM 581 N PHE A 40 -8.417 16.762 5.456 1.00 0.00 N ATOM 582 CA PHE A 40 -8.909 17.346 4.220 1.00 0.00 C ATOM 583 C PHE A 40 -9.473 16.269 3.291 1.00 0.00 C ATOM 584 O PHE A 40 -8.893 15.981 2.244 1.00 0.00 O ATOM 585 CB PHE A 40 -7.716 18.018 3.537 1.00 0.00 C ATOM 586 CG PHE A 40 -6.903 18.927 4.460 1.00 0.00 C ATOM 587 CD1 PHE A 40 -7.506 19.969 5.093 1.00 0.00 C ATOM 588 CD2 PHE A 40 -5.576 18.694 4.647 1.00 0.00 C ATOM 589 CE1 PHE A 40 -6.751 20.813 5.949 1.00 0.00 C ATOM 590 CE2 PHE A 40 -4.821 19.538 5.504 1.00 0.00 C ATOM 591 CZ PHE A 40 -5.424 20.580 6.137 1.00 0.00 C ATOM 0 H PHE A 40 -7.806 15.954 5.333 1.00 0.00 H new ATOM 0 HA PHE A 40 -9.707 18.056 4.436 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -7.060 17.247 3.133 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -8.077 18.604 2.692 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -8.560 20.154 4.944 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -5.097 17.867 4.144 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -7.230 21.640 6.451 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -3.768 19.352 5.653 1.00 0.00 H new ATOM 0 HZ PHE A 40 -4.850 21.222 6.788 1.00 0.00 H new ATOM 601 N PRO A 41 -10.625 15.687 3.718 1.00 0.00 N ATOM 602 CA PRO A 41 -11.274 14.648 2.936 1.00 0.00 C ATOM 603 C PRO A 41 -11.984 15.241 1.717 1.00 0.00 C ATOM 604 O PRO A 41 -12.163 14.562 0.707 1.00 0.00 O ATOM 605 CB PRO A 41 -12.226 13.964 3.903 1.00 0.00 C ATOM 606 CG PRO A 41 -12.417 14.935 5.057 1.00 0.00 C ATOM 607 CD PRO A 41 -11.340 16.002 4.951 1.00 0.00 C ATOM 0 HA PRO A 41 -10.566 13.931 2.521 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -13.177 13.739 3.421 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.814 13.018 4.253 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -13.408 15.387 5.015 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.345 14.413 6.011 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -11.775 17.001 4.912 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -10.673 15.978 5.813 1.00 0.00 H new ATOM 615 N GLU A 42 -12.369 16.502 1.852 1.00 0.00 N ATOM 616 CA GLU A 42 -13.055 17.194 0.775 1.00 0.00 C ATOM 617 C GLU A 42 -12.041 17.804 -0.195 1.00 0.00 C ATOM 618 O GLU A 42 -12.175 18.960 -0.593 1.00 0.00 O ATOM 619 CB GLU A 42 -14.000 18.263 1.325 1.00 0.00 C ATOM 620 CG GLU A 42 -15.344 17.652 1.729 1.00 0.00 C ATOM 621 CD GLU A 42 -16.452 18.075 0.762 1.00 0.00 C ATOM 622 OE1 GLU A 42 -16.557 17.423 -0.299 1.00 0.00 O ATOM 623 OE2 GLU A 42 -17.168 19.040 1.106 1.00 0.00 O ATOM 0 H GLU A 42 -12.219 17.062 2.691 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.659 16.469 0.229 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.543 18.748 2.188 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -14.159 19.035 0.572 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -15.264 16.565 1.743 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -15.600 17.965 2.741 1.00 0.00 H new ATOM 630 N ASP A 43 -11.049 17.000 -0.547 1.00 0.00 N ATOM 631 CA ASP A 43 -10.012 17.447 -1.463 1.00 0.00 C ATOM 632 C ASP A 43 -9.188 16.242 -1.920 1.00 0.00 C ATOM 633 O ASP A 43 -8.856 16.123 -3.098 1.00 0.00 O ATOM 634 CB ASP A 43 -9.066 18.437 -0.782 1.00 0.00 C ATOM 635 CG ASP A 43 -9.670 19.812 -0.488 1.00 0.00 C ATOM 636 OD1 ASP A 43 -10.309 19.934 0.580 1.00 0.00 O ATOM 637 OD2 ASP A 43 -9.479 20.709 -1.337 1.00 0.00 O ATOM 0 H ASP A 43 -10.941 16.042 -0.215 1.00 0.00 H new ATOM 0 HA ASP A 43 -10.496 17.935 -2.309 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.721 18.001 0.155 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.188 18.570 -1.414 1.00 0.00 H new ATOM 642 N PHE A 44 -8.880 15.378 -0.963 1.00 0.00 N ATOM 643 CA PHE A 44 -8.101 14.187 -1.252 1.00 0.00 C ATOM 644 C PHE A 44 -8.924 12.920 -1.008 1.00 0.00 C ATOM 645 O PHE A 44 -9.585 12.794 0.021 1.00 0.00 O ATOM 646 CB PHE A 44 -6.903 14.194 -0.300 1.00 0.00 C ATOM 647 CG PHE A 44 -6.083 15.485 -0.341 1.00 0.00 C ATOM 648 CD1 PHE A 44 -5.496 15.881 -1.502 1.00 0.00 C ATOM 649 CD2 PHE A 44 -5.940 16.236 0.783 1.00 0.00 C ATOM 650 CE1 PHE A 44 -4.734 17.079 -1.541 1.00 0.00 C ATOM 651 CE2 PHE A 44 -5.179 17.434 0.745 1.00 0.00 C ATOM 652 CZ PHE A 44 -4.592 17.830 -0.416 1.00 0.00 C ATOM 0 H PHE A 44 -9.156 15.480 0.014 1.00 0.00 H new ATOM 0 HA PHE A 44 -7.791 14.190 -2.297 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -7.260 14.034 0.718 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -6.252 13.355 -0.545 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -5.609 15.284 -2.395 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.405 15.921 1.705 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.268 17.393 -2.463 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.066 18.031 1.638 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.013 18.741 -0.445 1.00 0.00 H new ATOM 662 N TYR A 45 -8.856 12.015 -1.973 1.00 0.00 N ATOM 663 CA TYR A 45 -9.587 10.763 -1.876 1.00 0.00 C ATOM 664 C TYR A 45 -9.273 9.851 -3.064 1.00 0.00 C ATOM 665 O TYR A 45 -8.871 10.325 -4.126 1.00 0.00 O ATOM 666 CB TYR A 45 -11.070 11.136 -1.914 1.00 0.00 C ATOM 667 CG TYR A 45 -11.505 11.831 -3.206 1.00 0.00 C ATOM 668 CD1 TYR A 45 -11.539 11.124 -4.391 1.00 0.00 C ATOM 669 CD2 TYR A 45 -11.861 13.164 -3.187 1.00 0.00 C ATOM 670 CE1 TYR A 45 -11.948 11.778 -5.608 1.00 0.00 C ATOM 671 CE2 TYR A 45 -12.270 13.817 -4.403 1.00 0.00 C ATOM 672 CZ TYR A 45 -12.293 13.092 -5.553 1.00 0.00 C ATOM 673 OH TYR A 45 -12.679 13.710 -6.702 1.00 0.00 O ATOM 0 H TYR A 45 -8.306 12.124 -2.825 1.00 0.00 H new ATOM 0 HA TYR A 45 -9.313 10.229 -0.966 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -11.665 10.232 -1.782 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -11.291 11.789 -1.070 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -11.259 10.081 -4.406 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -11.833 13.717 -2.260 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -11.980 11.237 -6.542 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -12.552 14.859 -4.402 1.00 0.00 H new ATOM 0 HH TYR A 45 -12.897 14.646 -6.512 1.00 0.00 H new ATOM 683 N VAL A 46 -9.467 8.559 -2.845 1.00 0.00 N ATOM 684 CA VAL A 46 -9.209 7.576 -3.884 1.00 0.00 C ATOM 685 C VAL A 46 -10.540 7.041 -4.416 1.00 0.00 C ATOM 686 O VAL A 46 -11.469 6.802 -3.646 1.00 0.00 O ATOM 687 CB VAL A 46 -8.294 6.474 -3.347 1.00 0.00 C ATOM 688 CG1 VAL A 46 -8.207 5.305 -4.330 1.00 0.00 C ATOM 689 CG2 VAL A 46 -6.903 7.025 -3.026 1.00 0.00 C ATOM 0 H VAL A 46 -9.800 8.170 -1.963 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.685 8.035 -4.722 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.729 6.100 -2.420 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.550 4.536 -3.923 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -9.201 4.887 -4.487 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -7.807 5.658 -5.281 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.272 6.221 -2.646 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.458 7.439 -3.931 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.987 7.808 -2.272 1.00 0.00 H new ATOM 699 N GLU A 47 -10.590 6.870 -5.729 1.00 0.00 N ATOM 700 CA GLU A 47 -11.792 6.367 -6.372 1.00 0.00 C ATOM 701 C GLU A 47 -11.515 5.016 -7.034 1.00 0.00 C ATOM 702 O GLU A 47 -10.363 4.595 -7.136 1.00 0.00 O ATOM 703 CB GLU A 47 -12.332 7.375 -7.389 1.00 0.00 C ATOM 704 CG GLU A 47 -12.333 8.791 -6.809 1.00 0.00 C ATOM 705 CD GLU A 47 -13.761 9.323 -6.663 1.00 0.00 C ATOM 706 OE1 GLU A 47 -14.362 9.051 -5.602 1.00 0.00 O ATOM 707 OE2 GLU A 47 -14.218 9.989 -7.617 1.00 0.00 O ATOM 0 H GLU A 47 -9.818 7.071 -6.365 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.557 6.225 -5.608 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.722 7.348 -8.292 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.345 7.097 -7.680 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.840 8.790 -5.837 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.759 9.454 -7.457 1.00 0.00 H new ATOM 714 N GLY A 48 -12.589 4.374 -7.468 1.00 0.00 N ATOM 715 CA GLY A 48 -12.476 3.079 -8.117 1.00 0.00 C ATOM 716 C GLY A 48 -12.485 1.947 -7.088 1.00 0.00 C ATOM 717 O GLY A 48 -12.693 0.786 -7.439 1.00 0.00 O ATOM 0 H GLY A 48 -13.542 4.727 -7.383 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -13.301 2.946 -8.817 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.555 3.039 -8.699 1.00 0.00 H new ATOM 721 N LEU A 49 -12.255 2.324 -5.839 1.00 0.00 N ATOM 722 CA LEU A 49 -12.234 1.355 -4.757 1.00 0.00 C ATOM 723 C LEU A 49 -13.356 0.337 -4.968 1.00 0.00 C ATOM 724 O LEU A 49 -14.350 0.631 -5.630 1.00 0.00 O ATOM 725 CB LEU A 49 -12.293 2.063 -3.402 1.00 0.00 C ATOM 726 CG LEU A 49 -10.970 2.629 -2.882 1.00 0.00 C ATOM 727 CD1 LEU A 49 -11.187 3.457 -1.614 1.00 0.00 C ATOM 728 CD2 LEU A 49 -9.943 1.515 -2.671 1.00 0.00 C ATOM 0 H LEU A 49 -12.082 3.287 -5.552 1.00 0.00 H new ATOM 0 HA LEU A 49 -11.295 0.801 -4.760 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -13.012 2.879 -3.472 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -12.680 1.360 -2.664 1.00 0.00 H new ATOM 0 HG LEU A 49 -10.565 3.301 -3.639 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -10.231 3.847 -1.266 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -11.860 4.287 -1.832 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -11.626 2.828 -0.839 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -9.012 1.944 -2.301 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.327 0.799 -1.944 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -9.758 1.007 -3.617 1.00 0.00 H new ATOM 740 N PRO A 50 -13.155 -0.871 -4.376 1.00 0.00 N ATOM 741 CA PRO A 50 -14.138 -1.935 -4.492 1.00 0.00 C ATOM 742 C PRO A 50 -15.351 -1.661 -3.600 1.00 0.00 C ATOM 743 O PRO A 50 -15.208 -1.135 -2.497 1.00 0.00 O ATOM 744 CB PRO A 50 -13.393 -3.203 -4.109 1.00 0.00 C ATOM 745 CG PRO A 50 -12.159 -2.748 -3.349 1.00 0.00 C ATOM 746 CD PRO A 50 -11.991 -1.255 -3.583 1.00 0.00 C ATOM 0 HA PRO A 50 -14.549 -2.019 -5.498 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -14.016 -3.850 -3.491 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -13.117 -3.776 -4.994 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -12.267 -2.958 -2.285 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -11.278 -3.290 -3.693 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -11.956 -0.708 -2.641 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -11.063 -1.039 -4.112 1.00 0.00 H new ATOM 754 N GLU A 51 -16.516 -2.030 -4.111 1.00 0.00 N ATOM 755 CA GLU A 51 -17.753 -1.830 -3.374 1.00 0.00 C ATOM 756 C GLU A 51 -17.679 -0.541 -2.552 1.00 0.00 C ATOM 757 O GLU A 51 -17.049 0.429 -2.969 1.00 0.00 O ATOM 758 CB GLU A 51 -18.058 -3.034 -2.479 1.00 0.00 C ATOM 759 CG GLU A 51 -19.566 -3.200 -2.281 1.00 0.00 C ATOM 760 CD GLU A 51 -19.873 -3.842 -0.926 1.00 0.00 C ATOM 761 OE1 GLU A 51 -19.959 -3.075 0.058 1.00 0.00 O ATOM 762 OE2 GLU A 51 -20.014 -5.083 -0.905 1.00 0.00 O ATOM 0 H GLU A 51 -16.630 -2.466 -5.026 1.00 0.00 H new ATOM 0 HA GLU A 51 -18.569 -1.735 -4.090 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -17.644 -3.938 -2.926 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -17.572 -2.905 -1.512 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -20.054 -2.228 -2.346 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -19.976 -3.817 -3.081 1.00 0.00 H new ATOM 769 N GLY A 52 -18.332 -0.574 -1.400 1.00 0.00 N ATOM 770 CA GLY A 52 -18.349 0.580 -0.517 1.00 0.00 C ATOM 771 C GLY A 52 -17.137 0.572 0.417 1.00 0.00 C ATOM 772 O GLY A 52 -17.223 1.032 1.555 1.00 0.00 O ATOM 0 H GLY A 52 -18.853 -1.381 -1.058 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -18.351 1.495 -1.109 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -19.266 0.579 0.072 1.00 0.00 H new ATOM 776 N VAL A 53 -16.036 0.045 -0.098 1.00 0.00 N ATOM 777 CA VAL A 53 -14.809 -0.028 0.676 1.00 0.00 C ATOM 778 C VAL A 53 -14.240 1.381 0.857 1.00 0.00 C ATOM 779 O VAL A 53 -13.813 2.010 -0.109 1.00 0.00 O ATOM 780 CB VAL A 53 -13.824 -0.989 0.006 1.00 0.00 C ATOM 781 CG1 VAL A 53 -12.533 -1.105 0.819 1.00 0.00 C ATOM 782 CG2 VAL A 53 -14.461 -2.363 -0.211 1.00 0.00 C ATOM 0 H VAL A 53 -15.968 -0.336 -1.042 1.00 0.00 H new ATOM 0 HA VAL A 53 -15.008 -0.428 1.670 1.00 0.00 H new ATOM 0 HB VAL A 53 -13.569 -0.580 -0.972 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.850 -1.794 0.321 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -12.064 -0.124 0.900 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -12.763 -1.480 1.816 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -13.740 -3.027 -0.688 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -14.759 -2.782 0.750 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -15.338 -2.261 -0.850 1.00 0.00 H new ATOM 792 N PRO A 54 -14.253 1.847 2.135 1.00 0.00 N ATOM 793 CA PRO A 54 -13.744 3.169 2.455 1.00 0.00 C ATOM 794 C PRO A 54 -12.215 3.190 2.427 1.00 0.00 C ATOM 795 O PRO A 54 -11.567 2.430 3.145 1.00 0.00 O ATOM 796 CB PRO A 54 -14.317 3.491 3.825 1.00 0.00 C ATOM 797 CG PRO A 54 -14.742 2.159 4.422 1.00 0.00 C ATOM 798 CD PRO A 54 -14.752 1.129 3.304 1.00 0.00 C ATOM 0 HA PRO A 54 -14.043 3.922 1.726 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -13.574 3.982 4.454 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -15.165 4.171 3.744 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -14.054 1.858 5.212 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -15.730 2.241 4.874 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -14.118 0.276 3.546 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -15.756 0.741 3.132 1.00 0.00 H new ATOM 806 N PHE A 55 -11.682 4.067 1.589 1.00 0.00 N ATOM 807 CA PHE A 55 -10.240 4.196 1.458 1.00 0.00 C ATOM 808 C PHE A 55 -9.577 4.353 2.828 1.00 0.00 C ATOM 809 O PHE A 55 -9.415 5.469 3.319 1.00 0.00 O ATOM 810 CB PHE A 55 -9.978 5.456 0.630 1.00 0.00 C ATOM 811 CG PHE A 55 -8.494 5.765 0.422 1.00 0.00 C ATOM 812 CD1 PHE A 55 -7.715 4.910 -0.293 1.00 0.00 C ATOM 813 CD2 PHE A 55 -7.954 6.896 0.952 1.00 0.00 C ATOM 814 CE1 PHE A 55 -6.338 5.198 -0.487 1.00 0.00 C ATOM 815 CE2 PHE A 55 -6.577 7.183 0.758 1.00 0.00 C ATOM 816 CZ PHE A 55 -5.798 6.328 0.043 1.00 0.00 C ATOM 0 H PHE A 55 -12.222 4.695 0.994 1.00 0.00 H new ATOM 0 HA PHE A 55 -9.828 3.305 0.985 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -10.456 5.345 -0.343 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -10.451 6.306 1.122 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -8.143 4.012 -0.713 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -8.573 7.575 1.520 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -5.719 4.519 -1.056 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.148 8.081 1.178 1.00 0.00 H new ATOM 0 HZ PHE A 55 -4.751 6.546 -0.104 1.00 0.00 H new ATOM 826 N ARG A 56 -9.211 3.218 3.406 1.00 0.00 N ATOM 827 CA ARG A 56 -8.569 3.216 4.710 1.00 0.00 C ATOM 828 C ARG A 56 -7.212 2.514 4.631 1.00 0.00 C ATOM 829 O ARG A 56 -6.763 2.142 3.548 1.00 0.00 O ATOM 830 CB ARG A 56 -9.441 2.512 5.751 1.00 0.00 C ATOM 831 CG ARG A 56 -10.280 3.521 6.538 1.00 0.00 C ATOM 832 CD ARG A 56 -9.498 4.072 7.732 1.00 0.00 C ATOM 833 NE ARG A 56 -9.773 3.257 8.936 1.00 0.00 N ATOM 834 CZ ARG A 56 -10.970 3.177 9.532 1.00 0.00 C ATOM 835 NH1 ARG A 56 -12.011 3.862 9.038 1.00 0.00 N ATOM 836 NH2 ARG A 56 -11.128 2.412 10.621 1.00 0.00 N ATOM 0 H ARG A 56 -9.347 2.294 2.996 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.428 4.253 5.013 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.097 1.796 5.256 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.810 1.946 6.436 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.577 4.341 5.884 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.196 3.044 6.887 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.430 4.064 7.513 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.778 5.110 7.913 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.003 2.722 9.337 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -11.891 4.444 8.209 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.923 3.801 9.491 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.336 1.890 10.997 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.040 2.352 11.074 1.00 0.00 H new ATOM 850 N ARG A 57 -6.597 2.353 5.794 1.00 0.00 N ATOM 851 CA ARG A 57 -5.300 1.702 5.871 1.00 0.00 C ATOM 852 C ARG A 57 -5.441 0.204 5.590 1.00 0.00 C ATOM 853 O ARG A 57 -6.431 -0.413 5.977 1.00 0.00 O ATOM 854 CB ARG A 57 -4.666 1.898 7.249 1.00 0.00 C ATOM 855 CG ARG A 57 -4.271 3.360 7.468 1.00 0.00 C ATOM 856 CD ARG A 57 -4.824 3.885 8.795 1.00 0.00 C ATOM 857 NE ARG A 57 -4.839 5.365 8.786 1.00 0.00 N ATOM 858 CZ ARG A 57 -4.972 6.121 9.885 1.00 0.00 C ATOM 859 NH1 ARG A 57 -5.102 5.541 11.085 1.00 0.00 N ATOM 860 NH2 ARG A 57 -4.975 7.457 9.782 1.00 0.00 N ATOM 0 H ARG A 57 -6.973 2.662 6.690 1.00 0.00 H new ATOM 0 HA ARG A 57 -4.655 2.157 5.119 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -5.367 1.587 8.023 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -3.786 1.262 7.342 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -3.185 3.452 7.461 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -4.648 3.969 6.646 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -5.833 3.504 8.955 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.212 3.524 9.622 1.00 0.00 H new ATOM 0 HE ARG A 57 -4.742 5.839 7.888 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -5.100 4.524 11.163 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -5.203 6.116 11.921 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.876 7.898 8.868 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -5.076 8.033 10.618 1.00 0.00 H new ATOM 874 N PRO A 58 -4.408 -0.350 4.900 1.00 0.00 N ATOM 875 CA PRO A 58 -4.407 -1.764 4.563 1.00 0.00 C ATOM 876 C PRO A 58 -4.092 -2.620 5.791 1.00 0.00 C ATOM 877 O PRO A 58 -4.292 -3.834 5.774 1.00 0.00 O ATOM 878 CB PRO A 58 -3.370 -1.904 3.460 1.00 0.00 C ATOM 879 CG PRO A 58 -2.503 -0.659 3.542 1.00 0.00 C ATOM 880 CD PRO A 58 -3.218 0.351 4.426 1.00 0.00 C ATOM 0 HA PRO A 58 -5.381 -2.116 4.224 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.773 -2.805 3.598 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -3.847 -1.984 2.483 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -1.524 -0.902 3.955 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -2.335 -0.245 2.548 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -2.587 0.667 5.257 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -3.483 1.249 3.868 1.00 0.00 H new ATOM 888 N SER A 59 -3.606 -1.955 6.828 1.00 0.00 N ATOM 889 CA SER A 59 -3.262 -2.640 8.063 1.00 0.00 C ATOM 890 C SER A 59 -4.474 -2.679 8.995 1.00 0.00 C ATOM 891 O SER A 59 -4.373 -2.321 10.167 1.00 0.00 O ATOM 892 CB SER A 59 -2.080 -1.961 8.758 1.00 0.00 C ATOM 893 OG SER A 59 -1.766 -2.581 10.003 1.00 0.00 O ATOM 0 H SER A 59 -3.442 -0.948 6.839 1.00 0.00 H new ATOM 0 HA SER A 59 -2.968 -3.660 7.818 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.207 -1.995 8.106 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.313 -0.909 8.925 1.00 0.00 H new ATOM 0 HG SER A 59 -2.551 -2.555 10.589 1.00 0.00 H new ATOM 899 N THR A 60 -5.594 -3.119 8.438 1.00 0.00 N ATOM 900 CA THR A 60 -6.825 -3.210 9.205 1.00 0.00 C ATOM 901 C THR A 60 -7.867 -4.032 8.445 1.00 0.00 C ATOM 902 O THR A 60 -8.571 -4.849 9.037 1.00 0.00 O ATOM 903 CB THR A 60 -7.289 -1.787 9.525 1.00 0.00 C ATOM 904 OG1 THR A 60 -7.179 -1.697 10.943 1.00 0.00 O ATOM 905 CG2 THR A 60 -8.781 -1.583 9.253 1.00 0.00 C ATOM 0 H THR A 60 -5.674 -3.416 7.465 1.00 0.00 H new ATOM 0 HA THR A 60 -6.666 -3.735 10.147 1.00 0.00 H new ATOM 0 HB THR A 60 -6.712 -1.075 8.935 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.248 -1.848 11.209 1.00 0.00 H new ATOM 0 HG21 THR A 60 -9.058 -0.557 9.496 1.00 0.00 H new ATOM 0 HG22 THR A 60 -8.988 -1.775 8.200 1.00 0.00 H new ATOM 0 HG23 THR A 60 -9.360 -2.271 9.868 1.00 0.00 H new ATOM 913 N PHE A 61 -7.932 -3.789 7.144 1.00 0.00 N ATOM 914 CA PHE A 61 -8.876 -4.497 6.297 1.00 0.00 C ATOM 915 C PHE A 61 -8.774 -6.009 6.506 1.00 0.00 C ATOM 916 O PHE A 61 -7.972 -6.475 7.314 1.00 0.00 O ATOM 917 CB PHE A 61 -8.510 -4.169 4.848 1.00 0.00 C ATOM 918 CG PHE A 61 -9.021 -2.809 4.369 1.00 0.00 C ATOM 919 CD1 PHE A 61 -10.283 -2.409 4.681 1.00 0.00 C ATOM 920 CD2 PHE A 61 -8.214 -2.000 3.633 1.00 0.00 C ATOM 921 CE1 PHE A 61 -10.758 -1.146 4.237 1.00 0.00 C ATOM 922 CE2 PHE A 61 -8.688 -0.737 3.189 1.00 0.00 C ATOM 923 CZ PHE A 61 -9.950 -0.337 3.500 1.00 0.00 C ATOM 0 H PHE A 61 -7.346 -3.112 6.656 1.00 0.00 H new ATOM 0 HA PHE A 61 -9.894 -4.192 6.539 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -7.425 -4.195 4.743 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -8.912 -4.946 4.198 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -10.924 -3.052 5.266 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -7.212 -2.318 3.386 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -11.760 -0.828 4.484 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -8.046 -0.094 2.604 1.00 0.00 H new ATOM 0 HZ PHE A 61 -10.311 0.623 3.162 1.00 0.00 H new ATOM 933 N GLY A 62 -9.599 -6.735 5.765 1.00 0.00 N ATOM 934 CA GLY A 62 -9.612 -8.184 5.860 1.00 0.00 C ATOM 935 C GLY A 62 -8.772 -8.814 4.747 1.00 0.00 C ATOM 936 O GLY A 62 -8.314 -8.119 3.841 1.00 0.00 O ATOM 0 H GLY A 62 -10.263 -6.346 5.096 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.225 -8.492 6.831 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.638 -8.547 5.796 1.00 0.00 H new ATOM 940 N ILE A 63 -8.594 -10.123 4.851 1.00 0.00 N ATOM 941 CA ILE A 63 -7.817 -10.853 3.865 1.00 0.00 C ATOM 942 C ILE A 63 -8.442 -10.657 2.482 1.00 0.00 C ATOM 943 O ILE A 63 -7.734 -10.424 1.504 1.00 0.00 O ATOM 944 CB ILE A 63 -7.677 -12.321 4.274 1.00 0.00 C ATOM 945 CG1 ILE A 63 -6.780 -12.464 5.505 1.00 0.00 C ATOM 946 CG2 ILE A 63 -7.182 -13.172 3.102 1.00 0.00 C ATOM 947 CD1 ILE A 63 -7.107 -13.745 6.276 1.00 0.00 C ATOM 0 H ILE A 63 -8.975 -10.697 5.604 1.00 0.00 H new ATOM 0 HA ILE A 63 -6.801 -10.461 3.814 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.663 -12.694 4.549 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.734 -12.477 5.198 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -6.910 -11.600 6.157 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.091 -14.211 3.419 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.893 -13.105 2.278 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -6.209 -12.807 2.773 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.455 -13.822 7.146 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -8.147 -13.718 6.603 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.952 -14.609 5.629 1.00 0.00 H new ATOM 959 N PRO A 64 -9.798 -10.762 2.444 1.00 0.00 N ATOM 960 CA PRO A 64 -10.526 -10.599 1.198 1.00 0.00 C ATOM 961 C PRO A 64 -10.594 -9.126 0.791 1.00 0.00 C ATOM 962 O PRO A 64 -10.227 -8.769 -0.327 1.00 0.00 O ATOM 963 CB PRO A 64 -11.894 -11.207 1.459 1.00 0.00 C ATOM 964 CG PRO A 64 -12.042 -11.267 2.971 1.00 0.00 C ATOM 965 CD PRO A 64 -10.669 -11.038 3.582 1.00 0.00 C ATOM 0 HA PRO A 64 -10.038 -11.094 0.358 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -12.682 -10.601 1.013 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -11.970 -12.202 1.019 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -12.745 -10.509 3.316 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -12.440 -12.234 3.278 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -10.682 -10.203 4.283 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -10.331 -11.914 4.136 1.00 0.00 H new ATOM 973 N ARG A 65 -11.067 -8.309 1.722 1.00 0.00 N ATOM 974 CA ARG A 65 -11.188 -6.883 1.475 1.00 0.00 C ATOM 975 C ARG A 65 -9.894 -6.338 0.866 1.00 0.00 C ATOM 976 O ARG A 65 -9.930 -5.444 0.022 1.00 0.00 O ATOM 977 CB ARG A 65 -11.494 -6.124 2.768 1.00 0.00 C ATOM 978 CG ARG A 65 -12.866 -5.450 2.696 1.00 0.00 C ATOM 979 CD ARG A 65 -12.760 -3.957 3.014 1.00 0.00 C ATOM 980 NE ARG A 65 -14.035 -3.470 3.587 1.00 0.00 N ATOM 981 CZ ARG A 65 -14.506 -3.835 4.787 1.00 0.00 C ATOM 982 NH1 ARG A 65 -13.812 -4.693 5.547 1.00 0.00 N ATOM 983 NH2 ARG A 65 -15.673 -3.343 5.227 1.00 0.00 N ATOM 0 H ARG A 65 -11.371 -8.609 2.649 1.00 0.00 H new ATOM 0 HA ARG A 65 -12.012 -6.736 0.777 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -11.467 -6.812 3.613 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -10.724 -5.372 2.944 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -13.290 -5.584 1.701 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -13.548 -5.928 3.400 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -11.946 -3.783 3.718 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -12.523 -3.400 2.108 1.00 0.00 H new ATOM 0 HE ARG A 65 -14.589 -2.816 3.034 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -12.925 -5.069 5.212 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -14.171 -4.971 6.461 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -16.202 -2.691 4.648 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -16.032 -3.621 6.141 1.00 0.00 H new ATOM 997 N LEU A 66 -8.783 -6.899 1.319 1.00 0.00 N ATOM 998 CA LEU A 66 -7.480 -6.481 0.829 1.00 0.00 C ATOM 999 C LEU A 66 -7.389 -6.766 -0.672 1.00 0.00 C ATOM 1000 O LEU A 66 -7.089 -5.870 -1.460 1.00 0.00 O ATOM 1001 CB LEU A 66 -6.365 -7.134 1.648 1.00 0.00 C ATOM 1002 CG LEU A 66 -5.938 -6.388 2.914 1.00 0.00 C ATOM 1003 CD1 LEU A 66 -5.240 -7.331 3.896 1.00 0.00 C ATOM 1004 CD2 LEU A 66 -5.073 -5.174 2.571 1.00 0.00 C ATOM 0 H LEU A 66 -8.758 -7.639 2.020 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.351 -5.406 0.958 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.689 -8.135 1.932 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.491 -7.251 1.007 1.00 0.00 H new ATOM 0 HG LEU A 66 -6.834 -6.014 3.408 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.947 -6.776 4.787 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.922 -8.134 4.177 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.354 -7.756 3.425 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.784 -4.662 3.489 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.179 -5.502 2.041 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.639 -4.491 1.938 1.00 0.00 H new ATOM 1016 N GLU A 67 -7.652 -8.016 -1.021 1.00 0.00 N ATOM 1017 CA GLU A 67 -7.603 -8.430 -2.413 1.00 0.00 C ATOM 1018 C GLU A 67 -8.560 -7.582 -3.253 1.00 0.00 C ATOM 1019 O GLU A 67 -8.218 -7.163 -4.358 1.00 0.00 O ATOM 1020 CB GLU A 67 -7.923 -9.920 -2.554 1.00 0.00 C ATOM 1021 CG GLU A 67 -6.649 -10.763 -2.486 1.00 0.00 C ATOM 1022 CD GLU A 67 -6.279 -11.309 -3.867 1.00 0.00 C ATOM 1023 OE1 GLU A 67 -6.310 -10.504 -4.823 1.00 0.00 O ATOM 1024 OE2 GLU A 67 -5.973 -12.519 -3.935 1.00 0.00 O ATOM 0 H GLU A 67 -7.900 -8.756 -0.364 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.590 -8.273 -2.783 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.608 -10.225 -1.763 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.431 -10.098 -3.502 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.829 -10.159 -2.098 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.792 -11.590 -1.790 1.00 0.00 H new ATOM 1031 N LYS A 68 -9.741 -7.354 -2.697 1.00 0.00 N ATOM 1032 CA LYS A 68 -10.750 -6.563 -3.382 1.00 0.00 C ATOM 1033 C LYS A 68 -10.087 -5.344 -4.025 1.00 0.00 C ATOM 1034 O LYS A 68 -10.271 -5.087 -5.213 1.00 0.00 O ATOM 1035 CB LYS A 68 -11.893 -6.210 -2.427 1.00 0.00 C ATOM 1036 CG LYS A 68 -12.559 -7.473 -1.878 1.00 0.00 C ATOM 1037 CD LYS A 68 -14.053 -7.246 -1.640 1.00 0.00 C ATOM 1038 CE LYS A 68 -14.895 -8.061 -2.624 1.00 0.00 C ATOM 1039 NZ LYS A 68 -15.669 -9.099 -1.909 1.00 0.00 N ATOM 0 H LYS A 68 -10.022 -7.703 -1.781 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.205 -7.140 -4.187 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.510 -5.609 -1.602 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -12.632 -5.602 -2.948 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -12.420 -8.296 -2.579 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.079 -7.765 -0.944 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.309 -7.526 -0.618 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -14.285 -6.186 -1.748 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -15.574 -7.401 -3.164 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -14.247 -8.529 -3.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -16.235 -9.642 -2.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -15.016 -9.739 -1.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -16.301 -8.646 -1.218 1.00 0.00 H new ATOM 1053 N ILE A 69 -9.329 -4.624 -3.210 1.00 0.00 N ATOM 1054 CA ILE A 69 -8.637 -3.438 -3.685 1.00 0.00 C ATOM 1055 C ILE A 69 -7.727 -3.817 -4.855 1.00 0.00 C ATOM 1056 O ILE A 69 -7.882 -3.299 -5.960 1.00 0.00 O ATOM 1057 CB ILE A 69 -7.903 -2.749 -2.533 1.00 0.00 C ATOM 1058 CG1 ILE A 69 -8.891 -2.084 -1.572 1.00 0.00 C ATOM 1059 CG2 ILE A 69 -6.861 -1.760 -3.060 1.00 0.00 C ATOM 1060 CD1 ILE A 69 -8.611 -2.495 -0.126 1.00 0.00 C ATOM 0 H ILE A 69 -9.179 -4.839 -2.224 1.00 0.00 H new ATOM 0 HA ILE A 69 -9.351 -2.706 -4.061 1.00 0.00 H new ATOM 0 HB ILE A 69 -7.367 -3.510 -1.966 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -8.821 -1.000 -1.666 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -9.910 -2.362 -1.842 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -6.354 -1.284 -2.221 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.131 -2.291 -3.671 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -7.355 -0.999 -3.664 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -9.327 -2.008 0.536 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -8.705 -3.577 -0.030 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -7.600 -2.193 0.149 1.00 0.00 H new ATOM 1072 N LEU A 70 -6.798 -4.718 -4.572 1.00 0.00 N ATOM 1073 CA LEU A 70 -5.863 -5.173 -5.587 1.00 0.00 C ATOM 1074 C LEU A 70 -6.621 -5.439 -6.890 1.00 0.00 C ATOM 1075 O LEU A 70 -6.302 -4.859 -7.927 1.00 0.00 O ATOM 1076 CB LEU A 70 -5.067 -6.378 -5.082 1.00 0.00 C ATOM 1077 CG LEU A 70 -3.900 -6.065 -4.143 1.00 0.00 C ATOM 1078 CD1 LEU A 70 -4.001 -6.880 -2.852 1.00 0.00 C ATOM 1079 CD2 LEU A 70 -2.558 -6.273 -4.849 1.00 0.00 C ATOM 0 H LEU A 70 -6.673 -5.145 -3.654 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.125 -4.399 -5.799 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.752 -7.051 -4.566 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.678 -6.919 -5.945 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.958 -5.013 -3.864 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -3.160 -6.639 -2.203 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.934 -6.640 -2.342 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.982 -7.943 -3.091 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.745 -6.044 -4.160 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.476 -7.310 -5.176 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.496 -5.614 -5.715 1.00 0.00 H new ATOM 1091 N ARG A 71 -7.609 -6.316 -6.794 1.00 0.00 N ATOM 1092 CA ARG A 71 -8.414 -6.666 -7.951 1.00 0.00 C ATOM 1093 C ARG A 71 -8.676 -5.427 -8.810 1.00 0.00 C ATOM 1094 O ARG A 71 -8.608 -5.492 -10.036 1.00 0.00 O ATOM 1095 CB ARG A 71 -9.752 -7.276 -7.527 1.00 0.00 C ATOM 1096 CG ARG A 71 -9.564 -8.702 -7.006 1.00 0.00 C ATOM 1097 CD ARG A 71 -10.647 -9.060 -5.986 1.00 0.00 C ATOM 1098 NE ARG A 71 -11.137 -10.435 -6.230 1.00 0.00 N ATOM 1099 CZ ARG A 71 -12.010 -10.761 -7.193 1.00 0.00 C ATOM 1100 NH1 ARG A 71 -12.495 -9.814 -8.007 1.00 0.00 N ATOM 1101 NH2 ARG A 71 -12.399 -12.035 -7.341 1.00 0.00 N ATOM 0 H ARG A 71 -7.870 -6.795 -5.932 1.00 0.00 H new ATOM 0 HA ARG A 71 -7.859 -7.403 -8.530 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -10.208 -6.659 -6.752 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -10.438 -7.282 -8.374 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.597 -9.405 -7.839 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.580 -8.798 -6.546 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -10.246 -8.982 -4.975 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -11.473 -8.353 -6.057 1.00 0.00 H new ATOM 0 HE ARG A 71 -10.789 -11.181 -5.628 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -12.200 -8.844 -7.894 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -13.159 -10.063 -8.740 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -12.031 -12.756 -6.721 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -13.063 -12.283 -8.074 1.00 0.00 H new ATOM 1115 N ASN A 72 -8.969 -4.327 -8.132 1.00 0.00 N ATOM 1116 CA ASN A 72 -9.241 -3.075 -8.817 1.00 0.00 C ATOM 1117 C ASN A 72 -8.114 -2.083 -8.524 1.00 0.00 C ATOM 1118 O ASN A 72 -8.366 -0.973 -8.056 1.00 0.00 O ATOM 1119 CB ASN A 72 -10.554 -2.456 -8.334 1.00 0.00 C ATOM 1120 CG ASN A 72 -11.757 -3.154 -8.972 1.00 0.00 C ATOM 1121 OD1 ASN A 72 -11.654 -3.818 -9.990 1.00 0.00 O ATOM 1122 ND2 ASN A 72 -12.900 -2.966 -8.319 1.00 0.00 N ATOM 0 H ASN A 72 -9.024 -4.277 -7.115 1.00 0.00 H new ATOM 0 HA ASN A 72 -9.313 -3.284 -9.884 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -10.618 -2.532 -7.249 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -10.572 -1.394 -8.581 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -13.761 -3.390 -8.665 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -12.916 -2.398 -7.472 1.00 0.00 H new ATOM 1129 N LYS A 73 -6.896 -2.518 -8.811 1.00 0.00 N ATOM 1130 CA LYS A 73 -5.730 -1.682 -8.583 1.00 0.00 C ATOM 1131 C LYS A 73 -5.630 -0.640 -9.699 1.00 0.00 C ATOM 1132 O LYS A 73 -5.465 0.549 -9.430 1.00 0.00 O ATOM 1133 CB LYS A 73 -4.474 -2.543 -8.432 1.00 0.00 C ATOM 1134 CG LYS A 73 -4.013 -3.084 -9.787 1.00 0.00 C ATOM 1135 CD LYS A 73 -2.839 -4.051 -9.621 1.00 0.00 C ATOM 1136 CE LYS A 73 -3.335 -5.480 -9.395 1.00 0.00 C ATOM 1137 NZ LYS A 73 -2.519 -6.440 -10.171 1.00 0.00 N ATOM 0 H LYS A 73 -6.691 -3.439 -9.199 1.00 0.00 H new ATOM 0 HA LYS A 73 -5.830 -1.137 -7.644 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -3.676 -1.952 -7.982 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -4.677 -3.373 -7.755 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -4.841 -3.593 -10.280 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -3.718 -2.256 -10.432 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.207 -4.017 -10.509 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -2.222 -3.739 -8.778 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -3.285 -5.725 -8.334 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.381 -5.560 -9.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -2.869 -7.405 -10.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -2.588 -6.215 -11.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -1.526 -6.375 -9.869 1.00 0.00 H new ATOM 1151 N ALA A 74 -5.734 -1.123 -10.928 1.00 0.00 N ATOM 1152 CA ALA A 74 -5.657 -0.248 -12.085 1.00 0.00 C ATOM 1153 C ALA A 74 -6.874 0.679 -12.100 1.00 0.00 C ATOM 1154 O ALA A 74 -6.741 1.881 -12.325 1.00 0.00 O ATOM 1155 CB ALA A 74 -5.551 -1.092 -13.357 1.00 0.00 C ATOM 0 H ALA A 74 -5.871 -2.110 -11.148 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.766 0.378 -12.034 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.493 -0.436 -14.225 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.655 -1.711 -13.309 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.429 -1.732 -13.443 1.00 0.00 H new ATOM 1161 N LYS A 75 -8.033 0.084 -11.858 1.00 0.00 N ATOM 1162 CA LYS A 75 -9.273 0.842 -11.841 1.00 0.00 C ATOM 1163 C LYS A 75 -9.148 1.995 -10.844 1.00 0.00 C ATOM 1164 O LYS A 75 -9.465 3.138 -11.169 1.00 0.00 O ATOM 1165 CB LYS A 75 -10.461 -0.082 -11.566 1.00 0.00 C ATOM 1166 CG LYS A 75 -10.535 -1.205 -12.603 1.00 0.00 C ATOM 1167 CD LYS A 75 -11.837 -1.996 -12.463 1.00 0.00 C ATOM 1168 CE LYS A 75 -12.945 -1.383 -13.322 1.00 0.00 C ATOM 1169 NZ LYS A 75 -13.908 -2.424 -13.746 1.00 0.00 N ATOM 0 H LYS A 75 -8.140 -0.913 -11.672 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.462 1.285 -12.819 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -10.370 -0.510 -10.568 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.386 0.494 -11.583 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.467 -0.784 -13.606 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.684 -1.875 -12.481 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.672 -3.031 -12.761 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.148 -2.010 -11.418 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.464 -0.608 -12.758 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.510 -0.903 -14.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.653 -1.991 -14.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.412 -3.150 -14.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -14.336 -2.864 -12.906 1.00 0.00 H new ATOM 1183 N ILE A 76 -8.684 1.656 -9.650 1.00 0.00 N ATOM 1184 CA ILE A 76 -8.512 2.649 -8.604 1.00 0.00 C ATOM 1185 C ILE A 76 -7.888 3.911 -9.202 1.00 0.00 C ATOM 1186 O ILE A 76 -7.135 3.836 -10.171 1.00 0.00 O ATOM 1187 CB ILE A 76 -7.716 2.064 -7.435 1.00 0.00 C ATOM 1188 CG1 ILE A 76 -8.630 1.291 -6.482 1.00 0.00 C ATOM 1189 CG2 ILE A 76 -6.923 3.154 -6.712 1.00 0.00 C ATOM 1190 CD1 ILE A 76 -7.819 0.354 -5.584 1.00 0.00 C ATOM 0 H ILE A 76 -8.422 0.707 -9.384 1.00 0.00 H new ATOM 0 HA ILE A 76 -9.478 2.936 -8.190 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.993 1.353 -7.835 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -9.195 1.991 -5.867 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -9.355 0.714 -7.056 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.366 2.712 -5.886 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.227 3.621 -7.409 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.609 3.907 -6.325 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.493 -0.183 -4.916 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -7.274 -0.360 -6.201 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -7.112 0.937 -4.994 1.00 0.00 H new ATOM 1202 N LYS A 77 -8.225 5.042 -8.599 1.00 0.00 N ATOM 1203 CA LYS A 77 -7.707 6.319 -9.060 1.00 0.00 C ATOM 1204 C LYS A 77 -7.605 7.281 -7.875 1.00 0.00 C ATOM 1205 O LYS A 77 -8.506 7.340 -7.040 1.00 0.00 O ATOM 1206 CB LYS A 77 -8.555 6.855 -10.216 1.00 0.00 C ATOM 1207 CG LYS A 77 -7.767 7.868 -11.049 1.00 0.00 C ATOM 1208 CD LYS A 77 -8.662 8.525 -12.103 1.00 0.00 C ATOM 1209 CE LYS A 77 -8.268 9.987 -12.322 1.00 0.00 C ATOM 1210 NZ LYS A 77 -8.663 10.433 -13.676 1.00 0.00 N ATOM 0 H LYS A 77 -8.850 5.100 -7.795 1.00 0.00 H new ATOM 0 HA LYS A 77 -6.701 6.199 -9.461 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -8.876 6.029 -10.850 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -9.457 7.325 -9.823 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -7.346 8.633 -10.396 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -6.929 7.370 -11.537 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.584 7.979 -13.043 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -9.704 8.469 -11.787 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -8.748 10.615 -11.571 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -7.192 10.103 -12.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -8.388 11.427 -13.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -8.186 9.844 -14.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -9.693 10.341 -13.785 1.00 0.00 H new ATOM 1224 N PHE A 78 -6.500 8.010 -7.840 1.00 0.00 N ATOM 1225 CA PHE A 78 -6.268 8.967 -6.771 1.00 0.00 C ATOM 1226 C PHE A 78 -6.564 10.393 -7.238 1.00 0.00 C ATOM 1227 O PHE A 78 -6.092 10.815 -8.292 1.00 0.00 O ATOM 1228 CB PHE A 78 -4.790 8.863 -6.390 1.00 0.00 C ATOM 1229 CG PHE A 78 -4.479 7.735 -5.404 1.00 0.00 C ATOM 1230 CD1 PHE A 78 -4.889 6.466 -5.670 1.00 0.00 C ATOM 1231 CD2 PHE A 78 -3.791 8.002 -4.261 1.00 0.00 C ATOM 1232 CE1 PHE A 78 -4.601 5.420 -4.755 1.00 0.00 C ATOM 1233 CE2 PHE A 78 -3.503 6.955 -3.346 1.00 0.00 C ATOM 1234 CZ PHE A 78 -3.913 5.686 -3.612 1.00 0.00 C ATOM 0 H PHE A 78 -5.755 7.958 -8.535 1.00 0.00 H new ATOM 0 HA PHE A 78 -6.922 8.747 -5.927 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -4.202 8.713 -7.295 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -4.470 9.810 -5.955 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.434 6.254 -6.578 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -3.464 9.009 -4.050 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -4.928 4.413 -4.966 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.958 7.167 -2.438 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.693 4.890 -2.916 1.00 0.00 H new ATOM 1244 N ILE A 79 -7.343 11.097 -6.430 1.00 0.00 N ATOM 1245 CA ILE A 79 -7.707 12.468 -6.747 1.00 0.00 C ATOM 1246 C ILE A 79 -6.999 13.416 -5.777 1.00 0.00 C ATOM 1247 O ILE A 79 -6.949 13.157 -4.576 1.00 0.00 O ATOM 1248 CB ILE A 79 -9.228 12.628 -6.764 1.00 0.00 C ATOM 1249 CG1 ILE A 79 -9.822 12.093 -8.069 1.00 0.00 C ATOM 1250 CG2 ILE A 79 -9.629 14.081 -6.505 1.00 0.00 C ATOM 1251 CD1 ILE A 79 -9.314 10.680 -8.364 1.00 0.00 C ATOM 0 H ILE A 79 -7.732 10.744 -5.556 1.00 0.00 H new ATOM 0 HA ILE A 79 -7.371 12.729 -7.751 1.00 0.00 H new ATOM 0 HB ILE A 79 -9.643 12.030 -5.953 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.910 12.085 -8.001 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -9.558 12.757 -8.892 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -10.715 14.167 -6.522 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -9.256 14.393 -5.530 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -9.202 14.720 -7.278 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -9.751 10.323 -9.297 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.228 10.695 -8.455 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -9.600 10.013 -7.551 1.00 0.00 H new ATOM 1263 N ILE A 80 -6.470 14.495 -6.335 1.00 0.00 N ATOM 1264 CA ILE A 80 -5.768 15.484 -5.535 1.00 0.00 C ATOM 1265 C ILE A 80 -6.152 16.886 -6.012 1.00 0.00 C ATOM 1266 O ILE A 80 -5.812 17.281 -7.126 1.00 0.00 O ATOM 1267 CB ILE A 80 -4.261 15.218 -5.557 1.00 0.00 C ATOM 1268 CG1 ILE A 80 -3.966 13.723 -5.420 1.00 0.00 C ATOM 1269 CG2 ILE A 80 -3.543 16.044 -4.488 1.00 0.00 C ATOM 1270 CD1 ILE A 80 -2.561 13.490 -4.860 1.00 0.00 C ATOM 0 H ILE A 80 -6.514 14.706 -7.332 1.00 0.00 H new ATOM 0 HA ILE A 80 -6.067 15.410 -4.489 1.00 0.00 H new ATOM 0 HB ILE A 80 -3.872 15.536 -6.525 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.704 13.262 -4.764 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.058 13.240 -6.393 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.474 15.836 -4.525 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.713 17.105 -4.673 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -3.930 15.780 -3.504 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.377 12.419 -4.773 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.824 13.931 -5.531 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.480 13.953 -3.877 1.00 0.00 H new ATOM 1282 N LYS A 81 -6.854 17.599 -5.144 1.00 0.00 N ATOM 1283 CA LYS A 81 -7.288 18.949 -5.462 1.00 0.00 C ATOM 1284 C LYS A 81 -6.257 19.949 -4.935 1.00 0.00 C ATOM 1285 O LYS A 81 -6.119 21.046 -5.474 1.00 0.00 O ATOM 1286 CB LYS A 81 -8.705 19.193 -4.939 1.00 0.00 C ATOM 1287 CG LYS A 81 -9.705 18.243 -5.600 1.00 0.00 C ATOM 1288 CD LYS A 81 -11.110 18.441 -5.028 1.00 0.00 C ATOM 1289 CE LYS A 81 -11.840 17.103 -4.890 1.00 0.00 C ATOM 1290 NZ LYS A 81 -13.233 17.316 -4.439 1.00 0.00 N ATOM 0 H LYS A 81 -7.133 17.268 -4.221 1.00 0.00 H new ATOM 0 HA LYS A 81 -7.343 19.087 -6.542 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -8.726 19.054 -3.858 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.996 20.225 -5.134 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -9.719 18.415 -6.676 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -9.388 17.211 -5.447 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -11.045 18.926 -4.054 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -11.680 19.105 -5.677 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -11.837 16.580 -5.847 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -11.314 16.467 -4.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.767 16.428 -4.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -13.233 17.621 -3.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.680 18.049 -5.026 1.00 0.00 H new ATOM 1304 N LYS A 82 -5.559 19.534 -3.888 1.00 0.00 N ATOM 1305 CA LYS A 82 -4.544 20.380 -3.283 1.00 0.00 C ATOM 1306 C LYS A 82 -3.208 19.635 -3.268 1.00 0.00 C ATOM 1307 O LYS A 82 -2.777 19.148 -2.224 1.00 0.00 O ATOM 1308 CB LYS A 82 -4.998 20.857 -1.902 1.00 0.00 C ATOM 1309 CG LYS A 82 -6.148 21.859 -2.019 1.00 0.00 C ATOM 1310 CD LYS A 82 -6.057 22.928 -0.928 1.00 0.00 C ATOM 1311 CE LYS A 82 -6.801 24.199 -1.342 1.00 0.00 C ATOM 1312 NZ LYS A 82 -8.261 24.020 -1.185 1.00 0.00 N ATOM 0 H LYS A 82 -5.676 18.624 -3.443 1.00 0.00 H new ATOM 0 HA LYS A 82 -4.399 21.284 -3.875 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -5.315 20.002 -1.304 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.160 21.319 -1.379 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -6.124 22.333 -3.000 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -7.101 21.335 -1.941 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -6.478 22.542 0.000 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -5.011 23.163 -0.730 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -6.464 25.039 -0.734 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -6.568 24.442 -2.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -8.750 24.892 -1.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -8.581 23.232 -1.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -8.480 23.810 -0.190 1.00 0.00 H new ATOM 1326 N PRO A 83 -2.573 19.568 -4.468 1.00 0.00 N ATOM 1327 CA PRO A 83 -1.295 18.891 -4.603 1.00 0.00 C ATOM 1328 C PRO A 83 -0.163 19.734 -4.012 1.00 0.00 C ATOM 1329 O PRO A 83 0.898 19.209 -3.677 1.00 0.00 O ATOM 1330 CB PRO A 83 -1.135 18.643 -6.094 1.00 0.00 C ATOM 1331 CG PRO A 83 -2.100 19.597 -6.780 1.00 0.00 C ATOM 1332 CD PRO A 83 -3.054 20.134 -5.726 1.00 0.00 C ATOM 0 HA PRO A 83 -1.257 17.952 -4.051 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -0.109 18.828 -6.413 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -1.365 17.607 -6.345 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -1.556 20.414 -7.254 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -2.651 19.082 -7.567 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -3.043 21.224 -5.700 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -4.081 19.831 -5.930 1.00 0.00 H new ATOM 1340 N GLU A 84 -0.427 21.028 -3.902 1.00 0.00 N ATOM 1341 CA GLU A 84 0.556 21.949 -3.358 1.00 0.00 C ATOM 1342 C GLU A 84 0.959 21.522 -1.945 1.00 0.00 C ATOM 1343 O GLU A 84 2.041 21.867 -1.473 1.00 0.00 O ATOM 1344 CB GLU A 84 0.027 23.384 -3.367 1.00 0.00 C ATOM 1345 CG GLU A 84 -1.251 23.503 -2.535 1.00 0.00 C ATOM 1346 CD GLU A 84 -0.992 24.273 -1.238 1.00 0.00 C ATOM 1347 OE1 GLU A 84 0.176 24.260 -0.795 1.00 0.00 O ATOM 1348 OE2 GLU A 84 -1.968 24.858 -0.721 1.00 0.00 O ATOM 0 H GLU A 84 -1.308 21.460 -4.181 1.00 0.00 H new ATOM 0 HA GLU A 84 1.442 21.920 -3.992 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.787 24.058 -2.971 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.172 23.695 -4.392 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.021 24.011 -3.116 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.631 22.508 -2.302 1.00 0.00 H new ATOM 1355 N MET A 85 0.066 20.777 -1.310 1.00 0.00 N ATOM 1356 CA MET A 85 0.315 20.299 0.040 1.00 0.00 C ATOM 1357 C MET A 85 1.054 18.960 0.020 1.00 0.00 C ATOM 1358 O MET A 85 1.805 18.647 0.943 1.00 0.00 O ATOM 1359 CB MET A 85 -1.016 20.136 0.777 1.00 0.00 C ATOM 1360 CG MET A 85 -1.655 21.497 1.062 1.00 0.00 C ATOM 1361 SD MET A 85 -3.390 21.292 1.430 1.00 0.00 S ATOM 1362 CE MET A 85 -3.276 20.401 2.973 1.00 0.00 C ATOM 0 H MET A 85 -0.830 20.493 -1.705 1.00 0.00 H new ATOM 0 HA MET A 85 0.939 21.030 0.555 1.00 0.00 H new ATOM 0 HB2 MET A 85 -1.695 19.529 0.178 1.00 0.00 H new ATOM 0 HB3 MET A 85 -0.854 19.603 1.714 1.00 0.00 H new ATOM 0 HG2 MET A 85 -1.151 21.976 1.901 1.00 0.00 H new ATOM 0 HG3 MET A 85 -1.533 22.153 0.200 1.00 0.00 H new ATOM 0 HE1 MET A 85 -3.624 19.378 2.829 1.00 0.00 H new ATOM 0 HE2 MET A 85 -2.239 20.388 3.310 1.00 0.00 H new ATOM 0 HE3 MET A 85 -3.895 20.892 3.723 1.00 0.00 H new ATOM 1372 N PHE A 86 0.817 18.205 -1.043 1.00 0.00 N ATOM 1373 CA PHE A 86 1.452 16.906 -1.195 1.00 0.00 C ATOM 1374 C PHE A 86 2.966 17.052 -1.353 1.00 0.00 C ATOM 1375 O PHE A 86 3.728 16.221 -0.861 1.00 0.00 O ATOM 1376 CB PHE A 86 0.877 16.274 -2.464 1.00 0.00 C ATOM 1377 CG PHE A 86 -0.100 15.127 -2.200 1.00 0.00 C ATOM 1378 CD1 PHE A 86 -1.308 15.380 -1.630 1.00 0.00 C ATOM 1379 CD2 PHE A 86 0.240 13.853 -2.536 1.00 0.00 C ATOM 1380 CE1 PHE A 86 -2.215 14.315 -1.385 1.00 0.00 C ATOM 1381 CE2 PHE A 86 -0.667 12.788 -2.291 1.00 0.00 C ATOM 1382 CZ PHE A 86 -1.875 13.042 -1.721 1.00 0.00 C ATOM 0 H PHE A 86 0.194 18.468 -1.807 1.00 0.00 H new ATOM 0 HA PHE A 86 1.263 16.293 -0.314 1.00 0.00 H new ATOM 0 HB2 PHE A 86 0.368 17.045 -3.043 1.00 0.00 H new ATOM 0 HB3 PHE A 86 1.698 15.904 -3.078 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -1.578 16.391 -1.363 1.00 0.00 H new ATOM 0 HD2 PHE A 86 1.200 13.652 -2.989 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.175 14.516 -0.932 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -0.397 11.777 -2.557 1.00 0.00 H new ATOM 0 HZ PHE A 86 -2.565 12.232 -1.535 1.00 0.00 H new ATOM 1392 N GLU A 87 3.358 18.114 -2.041 1.00 0.00 N ATOM 1393 CA GLU A 87 4.769 18.379 -2.270 1.00 0.00 C ATOM 1394 C GLU A 87 5.557 18.219 -0.969 1.00 0.00 C ATOM 1395 O GLU A 87 6.575 17.530 -0.936 1.00 0.00 O ATOM 1396 CB GLU A 87 4.975 19.772 -2.869 1.00 0.00 C ATOM 1397 CG GLU A 87 5.654 19.686 -4.237 1.00 0.00 C ATOM 1398 CD GLU A 87 7.116 20.128 -4.152 1.00 0.00 C ATOM 1399 OE1 GLU A 87 7.809 19.628 -3.240 1.00 0.00 O ATOM 1400 OE2 GLU A 87 7.508 20.957 -5.002 1.00 0.00 O ATOM 0 H GLU A 87 2.724 18.801 -2.448 1.00 0.00 H new ATOM 0 HA GLU A 87 5.143 17.651 -2.990 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.013 20.275 -2.968 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.583 20.375 -2.195 1.00 0.00 H new ATOM 0 HG2 GLU A 87 5.601 18.663 -4.610 1.00 0.00 H new ATOM 0 HG3 GLU A 87 5.121 20.314 -4.951 1.00 0.00 H new ATOM 1407 N THR A 88 5.056 18.867 0.073 1.00 0.00 N ATOM 1408 CA THR A 88 5.700 18.806 1.373 1.00 0.00 C ATOM 1409 C THR A 88 6.025 17.356 1.740 1.00 0.00 C ATOM 1410 O THR A 88 7.072 17.079 2.323 1.00 0.00 O ATOM 1411 CB THR A 88 4.787 19.499 2.387 1.00 0.00 C ATOM 1412 OG1 THR A 88 4.870 20.879 2.042 1.00 0.00 O ATOM 1413 CG2 THR A 88 5.340 19.436 3.812 1.00 0.00 C ATOM 0 H THR A 88 4.211 19.437 0.042 1.00 0.00 H new ATOM 0 HA THR A 88 6.656 19.329 1.365 1.00 0.00 H new ATOM 0 HB THR A 88 3.800 19.038 2.361 1.00 0.00 H new ATOM 0 HG1 THR A 88 4.306 21.402 2.649 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.654 19.942 4.491 1.00 0.00 H new ATOM 0 HG22 THR A 88 5.448 18.394 4.115 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.313 19.926 3.847 1.00 0.00 H new ATOM 1421 N ALA A 89 5.108 16.469 1.382 1.00 0.00 N ATOM 1422 CA ALA A 89 5.283 15.055 1.666 1.00 0.00 C ATOM 1423 C ALA A 89 6.411 14.501 0.794 1.00 0.00 C ATOM 1424 O ALA A 89 7.375 13.933 1.306 1.00 0.00 O ATOM 1425 CB ALA A 89 3.959 14.321 1.442 1.00 0.00 C ATOM 0 H ALA A 89 4.241 16.703 0.898 1.00 0.00 H new ATOM 0 HA ALA A 89 5.567 14.905 2.708 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.091 13.260 1.655 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.198 14.733 2.105 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.644 14.447 0.406 1.00 0.00 H new ATOM 1431 N ILE A 90 6.255 14.685 -0.509 1.00 0.00 N ATOM 1432 CA ILE A 90 7.248 14.210 -1.457 1.00 0.00 C ATOM 1433 C ILE A 90 8.637 14.665 -1.004 1.00 0.00 C ATOM 1434 O ILE A 90 9.598 13.900 -1.076 1.00 0.00 O ATOM 1435 CB ILE A 90 6.889 14.653 -2.877 1.00 0.00 C ATOM 1436 CG1 ILE A 90 5.541 14.071 -3.308 1.00 0.00 C ATOM 1437 CG2 ILE A 90 8.007 14.301 -3.860 1.00 0.00 C ATOM 1438 CD1 ILE A 90 4.596 15.174 -3.789 1.00 0.00 C ATOM 0 H ILE A 90 5.455 15.157 -0.930 1.00 0.00 H new ATOM 0 HA ILE A 90 7.260 13.120 -1.482 1.00 0.00 H new ATOM 0 HB ILE A 90 6.787 15.738 -2.881 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.693 13.344 -4.106 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.088 13.537 -2.473 1.00 0.00 H new ATOM 0 HG21 ILE A 90 7.727 14.627 -4.862 1.00 0.00 H new ATOM 0 HG22 ILE A 90 8.927 14.803 -3.560 1.00 0.00 H new ATOM 0 HG23 ILE A 90 8.165 13.223 -3.860 1.00 0.00 H new ATOM 0 HD11 ILE A 90 3.645 14.733 -4.089 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.427 15.886 -2.981 1.00 0.00 H new ATOM 0 HD13 ILE A 90 5.042 15.690 -4.640 1.00 0.00 H new ATOM 1450 N LYS A 91 8.698 15.907 -0.547 1.00 0.00 N ATOM 1451 CA LYS A 91 9.954 16.472 -0.082 1.00 0.00 C ATOM 1452 C LYS A 91 10.560 15.552 0.980 1.00 0.00 C ATOM 1453 O LYS A 91 11.644 15.004 0.786 1.00 0.00 O ATOM 1454 CB LYS A 91 9.749 17.911 0.395 1.00 0.00 C ATOM 1455 CG LYS A 91 10.548 18.893 -0.465 1.00 0.00 C ATOM 1456 CD LYS A 91 10.158 20.339 -0.152 1.00 0.00 C ATOM 1457 CE LYS A 91 11.396 21.188 0.145 1.00 0.00 C ATOM 1458 NZ LYS A 91 11.043 22.332 1.015 1.00 0.00 N ATOM 0 H LYS A 91 7.899 16.538 -0.489 1.00 0.00 H new ATOM 0 HA LYS A 91 10.672 16.531 -0.900 1.00 0.00 H new ATOM 0 HB2 LYS A 91 8.690 18.164 0.353 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.057 18.000 1.437 1.00 0.00 H new ATOM 0 HG2 LYS A 91 11.614 18.754 -0.287 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.371 18.685 -1.520 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.615 20.764 -0.996 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.484 20.361 0.704 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.156 20.576 0.630 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.827 21.552 -0.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.894 22.898 1.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 10.334 22.925 0.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 10.653 21.979 1.912 1.00 0.00 H new