USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 967 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 109 MET CE :methyl 175:sc= 0 (180deg=-0.0798) USER MOD Set 1.2: A 144 MET CE :methyl 174:sc= -0.256 (180deg=-0.16) USER MOD Set 2.1: A 51 MET CE :methyl -164:sc= -0.0106 (180deg=-0.325) USER MOD Set 2.2: A 71 MET CE :methyl 172:sc= -0.243 (180deg=-0.62) USER MOD Set 3.1: A 60 ASN : amide:sc= 0.4 K(o=0.59,f=-2.9) USER MOD Set 3.2: A 62 THR OG1 : rot -20:sc= 0.192 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.0178 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -17:sc= 0.415 USER MOD Single : A 21 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0962) USER MOD Single : A 26 THR OG1 : rot -37:sc= 1.22 USER MOD Single : A 28 THR OG1 : rot -84:sc= 0.204 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0362 USER MOD Single : A 30 LYS NZ :NH3+ 150:sc= 1.21 (180deg=1.13) USER MOD Single : A 34 THR OG1 : rot 79:sc= 0.272 USER MOD Single : A 36 MET CE :methyl -119:sc= 0 (180deg=-0.384) USER MOD Single : A 38 SER OG : rot 92:sc= 1.13 USER MOD Single : A 41 GLN : amide:sc= -0.0714 X(o=-0.071,f=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot -72:sc= 0.615 USER MOD Single : A 49 GLN : amide:sc= -0.0508 K(o=-0.051,f=-1.4!) USER MOD Single : A 53 ASN : amide:sc= -0.112 X(o=-0.11,f=-0.59) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -120:sc= -0.379 (180deg=-1.67) USER MOD Single : A 94 LYS NZ :NH3+ -169:sc= 0.283 (180deg=0.227) USER MOD Single : A 97 ASN : amide:sc= 0.243 K(o=0.24,f=-3.6!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 110 THR OG1 : rot 86:sc= 1.26 USER MOD Single : A 111 ASN : amide:sc= 1.12 K(o=1.1,f=-0.011) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.243 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 137 ASN : amide:sc= -1.08 K(o=-1.1,f=-7!) USER MOD Single : A 138 TYR OH : rot 180:sc= -0.555 USER MOD Single : A 143 GLN : amide:sc= -0.422 X(o=-0.42,f=-0.031) USER MOD Single : A 145 MET CE :methyl 177:sc= -0.0859 (180deg=-0.109) USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -12.192 16.041 1.676 1.00 0.00 N ATOM 59 CA THR A 5 -12.526 17.168 0.861 1.00 0.00 C ATOM 60 C THR A 5 -13.758 16.917 0.061 1.00 0.00 C ATOM 61 O THR A 5 -14.135 15.754 -0.079 1.00 0.00 O ATOM 62 CB THR A 5 -11.380 17.469 -0.058 1.00 0.00 C ATOM 63 OG1 THR A 5 -11.082 16.511 -1.063 1.00 0.00 O ATOM 64 CG2 THR A 5 -10.063 17.734 0.691 1.00 0.00 C ATOM 0 HA THR A 5 -12.719 18.019 1.514 1.00 0.00 H new ATOM 0 HB THR A 5 -11.763 18.360 -0.555 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.320 16.821 -1.595 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.272 17.946 -0.028 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.188 18.589 1.355 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.795 16.855 1.277 1.00 0.00 H new ATOM 72 N GLU A 6 -14.430 17.913 -0.542 1.00 0.00 N ATOM 73 CA GLU A 6 -15.651 17.702 -1.257 1.00 0.00 C ATOM 74 C GLU A 6 -15.444 16.784 -2.412 1.00 0.00 C ATOM 75 O GLU A 6 -16.322 15.972 -2.701 1.00 0.00 O ATOM 76 CB GLU A 6 -16.321 18.996 -1.751 1.00 0.00 C ATOM 77 CG GLU A 6 -16.914 19.854 -0.632 1.00 0.00 C ATOM 78 CD GLU A 6 -18.249 19.308 -0.145 1.00 0.00 C ATOM 79 OE1 GLU A 6 -19.227 19.141 -0.922 1.00 0.00 O ATOM 80 OE2 GLU A 6 -18.326 19.094 1.094 1.00 0.00 O ATOM 0 H GLU A 6 -14.120 18.885 -0.533 1.00 0.00 H new ATOM 0 HA GLU A 6 -16.328 17.250 -0.532 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.587 19.587 -2.298 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -17.112 18.738 -2.455 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -16.214 19.898 0.202 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -17.048 20.875 -0.989 1.00 0.00 H new ATOM 87 N GLU A 7 -14.344 16.939 -3.170 1.00 0.00 N ATOM 88 CA GLU A 7 -14.045 16.171 -4.338 1.00 0.00 C ATOM 89 C GLU A 7 -13.669 14.769 -4.002 1.00 0.00 C ATOM 90 O GLU A 7 -13.922 13.871 -4.804 1.00 0.00 O ATOM 91 CB GLU A 7 -12.782 16.743 -5.003 1.00 0.00 C ATOM 92 CG GLU A 7 -13.171 18.080 -5.637 1.00 0.00 C ATOM 93 CD GLU A 7 -11.973 18.880 -6.127 1.00 0.00 C ATOM 94 OE1 GLU A 7 -11.374 19.652 -5.331 1.00 0.00 O ATOM 95 OE2 GLU A 7 -11.650 18.793 -7.342 1.00 0.00 O ATOM 0 H GLU A 7 -13.628 17.634 -2.958 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.935 16.204 -4.966 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -11.989 16.882 -4.268 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.400 16.056 -5.758 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.844 17.896 -6.474 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -13.723 18.674 -4.908 1.00 0.00 H new ATOM 102 N GLN A 8 -13.055 14.478 -2.842 1.00 0.00 N ATOM 103 CA GLN A 8 -12.796 13.154 -2.366 1.00 0.00 C ATOM 104 C GLN A 8 -14.091 12.490 -2.045 1.00 0.00 C ATOM 105 O GLN A 8 -14.322 11.328 -2.376 1.00 0.00 O ATOM 106 CB GLN A 8 -11.930 13.287 -1.103 1.00 0.00 C ATOM 107 CG GLN A 8 -10.443 13.502 -1.392 1.00 0.00 C ATOM 108 CD GLN A 8 -9.565 13.797 -0.184 1.00 0.00 C ATOM 109 OE1 GLN A 8 -9.956 13.445 0.927 1.00 0.00 O ATOM 110 NE2 GLN A 8 -8.336 14.349 -0.377 1.00 0.00 N ATOM 0 H GLN A 8 -12.723 15.201 -2.204 1.00 0.00 H new ATOM 0 HA GLN A 8 -12.279 12.553 -3.114 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.299 14.122 -0.507 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.046 12.388 -0.498 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.057 12.612 -1.888 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -10.346 14.327 -2.097 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -8.044 14.630 -1.313 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -7.707 14.482 0.415 1.00 0.00 H new ATOM 119 N ILE A 9 -15.100 13.134 -1.432 1.00 0.00 N ATOM 120 CA ILE A 9 -16.433 12.687 -1.172 1.00 0.00 C ATOM 121 C ILE A 9 -17.199 12.407 -2.419 1.00 0.00 C ATOM 122 O ILE A 9 -17.984 11.474 -2.577 1.00 0.00 O ATOM 123 CB ILE A 9 -17.254 13.527 -0.238 1.00 0.00 C ATOM 124 CG1 ILE A 9 -16.436 13.841 1.026 1.00 0.00 C ATOM 125 CG2 ILE A 9 -18.616 12.873 0.047 1.00 0.00 C ATOM 126 CD1 ILE A 9 -16.956 15.169 1.574 1.00 0.00 C ATOM 0 H ILE A 9 -14.961 14.080 -1.078 1.00 0.00 H new ATOM 0 HA ILE A 9 -16.258 11.756 -0.633 1.00 0.00 H new ATOM 0 HB ILE A 9 -17.490 14.482 -0.708 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -16.548 13.048 1.765 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -15.374 13.910 0.791 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -19.188 13.505 0.727 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -19.165 12.754 -0.887 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -18.462 11.895 0.504 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -16.402 15.433 2.475 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -16.822 15.949 0.825 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -18.015 15.074 1.814 1.00 0.00 H new ATOM 138 N ALA A 10 -17.057 13.261 -3.449 1.00 0.00 N ATOM 139 CA ALA A 10 -17.589 13.077 -4.764 1.00 0.00 C ATOM 140 C ALA A 10 -17.219 11.800 -5.438 1.00 0.00 C ATOM 141 O ALA A 10 -18.031 11.085 -6.023 1.00 0.00 O ATOM 142 CB ALA A 10 -17.200 14.251 -5.677 1.00 0.00 C ATOM 0 H ALA A 10 -16.538 14.134 -3.357 1.00 0.00 H new ATOM 0 HA ALA A 10 -18.667 13.033 -4.608 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -17.615 14.091 -6.672 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -17.595 15.179 -5.264 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -16.114 14.316 -5.743 1.00 0.00 H new ATOM 148 N GLU A 11 -15.928 11.446 -5.304 1.00 0.00 N ATOM 149 CA GLU A 11 -15.404 10.196 -5.761 1.00 0.00 C ATOM 150 C GLU A 11 -15.889 9.015 -4.994 1.00 0.00 C ATOM 151 O GLU A 11 -16.324 8.036 -5.598 1.00 0.00 O ATOM 152 CB GLU A 11 -13.877 10.079 -5.899 1.00 0.00 C ATOM 153 CG GLU A 11 -13.300 10.793 -7.123 1.00 0.00 C ATOM 154 CD GLU A 11 -11.782 10.679 -7.107 1.00 0.00 C ATOM 155 OE1 GLU A 11 -11.162 11.401 -6.282 1.00 0.00 O ATOM 156 OE2 GLU A 11 -11.229 9.890 -7.919 1.00 0.00 O ATOM 0 H GLU A 11 -15.229 12.046 -4.866 1.00 0.00 H new ATOM 0 HA GLU A 11 -15.813 10.189 -6.772 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.410 10.486 -5.002 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -13.608 9.024 -5.948 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -13.699 10.352 -8.036 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.597 11.842 -7.119 1.00 0.00 H new ATOM 163 N PHE A 12 -15.884 9.012 -3.649 1.00 0.00 N ATOM 164 CA PHE A 12 -16.400 7.915 -2.891 1.00 0.00 C ATOM 165 C PHE A 12 -17.885 7.794 -2.942 1.00 0.00 C ATOM 166 O PHE A 12 -18.343 6.653 -2.915 1.00 0.00 O ATOM 167 CB PHE A 12 -15.843 7.932 -1.458 1.00 0.00 C ATOM 168 CG PHE A 12 -14.379 8.172 -1.313 1.00 0.00 C ATOM 169 CD1 PHE A 12 -13.450 7.555 -2.118 1.00 0.00 C ATOM 170 CD2 PHE A 12 -13.976 9.175 -0.464 1.00 0.00 C ATOM 171 CE1 PHE A 12 -12.128 7.836 -1.867 1.00 0.00 C ATOM 172 CE2 PHE A 12 -12.654 9.512 -0.289 1.00 0.00 C ATOM 173 CZ PHE A 12 -11.709 8.844 -1.031 1.00 0.00 C ATOM 0 H PHE A 12 -15.519 9.777 -3.082 1.00 0.00 H new ATOM 0 HA PHE A 12 -16.043 7.004 -3.371 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -16.372 8.702 -0.896 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -16.080 6.977 -0.989 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -13.745 6.882 -2.909 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -14.727 9.720 0.088 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -11.377 7.231 -2.353 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.366 10.281 0.413 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.663 9.105 -0.959 1.00 0.00 H new ATOM 183 N LYS A 13 -18.689 8.837 -3.216 1.00 0.00 N ATOM 184 CA LYS A 13 -20.075 8.773 -3.560 1.00 0.00 C ATOM 185 C LYS A 13 -20.186 7.972 -4.811 1.00 0.00 C ATOM 186 O LYS A 13 -20.903 6.977 -4.905 1.00 0.00 O ATOM 187 CB LYS A 13 -20.694 10.176 -3.688 1.00 0.00 C ATOM 188 CG LYS A 13 -22.115 10.284 -4.242 1.00 0.00 C ATOM 189 CD LYS A 13 -22.548 11.743 -4.407 1.00 0.00 C ATOM 190 CE LYS A 13 -22.795 12.430 -3.063 1.00 0.00 C ATOM 191 NZ LYS A 13 -23.338 13.793 -3.258 1.00 0.00 N ATOM 0 H LYS A 13 -18.343 9.796 -3.195 1.00 0.00 H new ATOM 0 HA LYS A 13 -20.646 8.287 -2.769 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -20.684 10.637 -2.700 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -20.041 10.773 -4.325 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -22.170 9.777 -5.205 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -22.807 9.772 -3.573 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -21.780 12.288 -4.955 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -23.457 11.784 -5.006 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -23.492 11.838 -2.470 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -21.863 12.483 -2.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -23.497 14.239 -2.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -22.660 14.362 -3.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -24.239 13.737 -3.775 1.00 0.00 H new ATOM 205 N GLU A 14 -19.547 8.419 -5.907 1.00 0.00 N ATOM 206 CA GLU A 14 -19.701 7.952 -7.250 1.00 0.00 C ATOM 207 C GLU A 14 -19.316 6.512 -7.246 1.00 0.00 C ATOM 208 O GLU A 14 -20.016 5.659 -7.789 1.00 0.00 O ATOM 209 CB GLU A 14 -18.857 8.740 -8.266 1.00 0.00 C ATOM 210 CG GLU A 14 -19.180 8.470 -9.737 1.00 0.00 C ATOM 211 CD GLU A 14 -20.511 9.024 -10.226 1.00 0.00 C ATOM 212 OE1 GLU A 14 -21.572 8.455 -9.855 1.00 0.00 O ATOM 213 OE2 GLU A 14 -20.530 9.920 -11.112 1.00 0.00 O ATOM 0 H GLU A 14 -18.863 9.173 -5.846 1.00 0.00 H new ATOM 0 HA GLU A 14 -20.734 8.096 -7.567 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -18.987 9.805 -8.073 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -17.805 8.511 -8.095 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -18.383 8.892 -10.350 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -19.172 7.392 -9.901 1.00 0.00 H new ATOM 220 N ALA A 15 -18.187 6.119 -6.630 1.00 0.00 N ATOM 221 CA ALA A 15 -17.771 4.760 -6.469 1.00 0.00 C ATOM 222 C ALA A 15 -18.682 3.880 -5.683 1.00 0.00 C ATOM 223 O ALA A 15 -19.013 2.767 -6.088 1.00 0.00 O ATOM 224 CB ALA A 15 -16.293 4.731 -6.042 1.00 0.00 C ATOM 0 H ALA A 15 -17.530 6.784 -6.223 1.00 0.00 H new ATOM 0 HA ALA A 15 -17.853 4.280 -7.444 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.970 3.697 -5.918 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.684 5.212 -6.807 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.176 5.263 -5.098 1.00 0.00 H new ATOM 230 N PHE A 16 -19.302 4.346 -4.584 1.00 0.00 N ATOM 231 CA PHE A 16 -20.358 3.657 -3.910 1.00 0.00 C ATOM 232 C PHE A 16 -21.510 3.198 -4.737 1.00 0.00 C ATOM 233 O PHE A 16 -21.890 2.028 -4.752 1.00 0.00 O ATOM 234 CB PHE A 16 -20.714 4.513 -2.683 1.00 0.00 C ATOM 235 CG PHE A 16 -21.413 3.672 -1.671 1.00 0.00 C ATOM 236 CD1 PHE A 16 -22.777 3.512 -1.738 1.00 0.00 C ATOM 237 CD2 PHE A 16 -20.741 3.070 -0.634 1.00 0.00 C ATOM 238 CE1 PHE A 16 -23.406 2.813 -0.735 1.00 0.00 C ATOM 239 CE2 PHE A 16 -21.415 2.382 0.348 1.00 0.00 C ATOM 240 CZ PHE A 16 -22.773 2.172 0.304 1.00 0.00 C ATOM 0 H PHE A 16 -19.059 5.236 -4.149 1.00 0.00 H new ATOM 0 HA PHE A 16 -20.000 2.674 -3.603 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -19.809 4.942 -2.252 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -21.351 5.346 -2.981 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -23.342 3.926 -2.560 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -19.664 3.138 -0.589 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -24.484 2.763 -0.766 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -20.856 1.992 1.186 1.00 0.00 H new ATOM 0 HZ PHE A 16 -23.296 1.558 1.022 1.00 0.00 H new ATOM 250 N SER A 17 -22.102 4.162 -5.464 1.00 0.00 N ATOM 251 CA SER A 17 -23.238 3.954 -6.308 1.00 0.00 C ATOM 252 C SER A 17 -23.034 2.869 -7.310 1.00 0.00 C ATOM 253 O SER A 17 -23.953 2.078 -7.513 1.00 0.00 O ATOM 254 CB SER A 17 -23.873 5.261 -6.811 1.00 0.00 C ATOM 255 OG SER A 17 -22.923 5.966 -7.597 1.00 0.00 O ATOM 0 H SER A 17 -21.775 5.128 -5.464 1.00 0.00 H new ATOM 0 HA SER A 17 -24.031 3.544 -5.682 1.00 0.00 H new ATOM 0 HB2 SER A 17 -24.763 5.044 -7.402 1.00 0.00 H new ATOM 0 HB3 SER A 17 -24.192 5.873 -5.967 1.00 0.00 H new ATOM 0 HG SER A 17 -22.026 5.612 -7.421 1.00 0.00 H new ATOM 261 N LEU A 18 -21.793 2.819 -7.825 1.00 0.00 N ATOM 262 CA LEU A 18 -21.335 1.793 -8.710 1.00 0.00 C ATOM 263 C LEU A 18 -21.441 0.422 -8.136 1.00 0.00 C ATOM 264 O LEU A 18 -21.711 -0.555 -8.833 1.00 0.00 O ATOM 265 CB LEU A 18 -19.877 2.062 -9.118 1.00 0.00 C ATOM 266 CG LEU A 18 -19.576 1.585 -10.548 1.00 0.00 C ATOM 267 CD1 LEU A 18 -20.214 2.385 -11.697 1.00 0.00 C ATOM 268 CD2 LEU A 18 -18.049 1.398 -10.548 1.00 0.00 C ATOM 0 H LEU A 18 -21.081 3.520 -7.617 1.00 0.00 H new ATOM 0 HA LEU A 18 -21.991 1.826 -9.580 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -19.672 3.130 -9.042 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -19.208 1.558 -8.421 1.00 0.00 H new ATOM 0 HG LEU A 18 -20.080 0.650 -10.790 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -19.923 1.946 -12.651 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -21.299 2.358 -11.601 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -19.872 3.419 -11.654 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -17.724 1.056 -11.531 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -17.566 2.347 -10.317 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -17.773 0.658 -9.797 1.00 0.00 H new ATOM 280 N PHE A 19 -21.265 0.236 -6.816 1.00 0.00 N ATOM 281 CA PHE A 19 -21.101 -1.060 -6.233 1.00 0.00 C ATOM 282 C PHE A 19 -22.424 -1.451 -5.669 1.00 0.00 C ATOM 283 O PHE A 19 -22.793 -2.618 -5.789 1.00 0.00 O ATOM 284 CB PHE A 19 -19.958 -1.057 -5.205 1.00 0.00 C ATOM 285 CG PHE A 19 -18.646 -0.641 -5.775 1.00 0.00 C ATOM 286 CD1 PHE A 19 -18.255 -1.064 -7.023 1.00 0.00 C ATOM 287 CD2 PHE A 19 -17.841 0.188 -5.029 1.00 0.00 C ATOM 288 CE1 PHE A 19 -17.130 -0.495 -7.571 1.00 0.00 C ATOM 289 CE2 PHE A 19 -16.606 0.582 -5.487 1.00 0.00 C ATOM 290 CZ PHE A 19 -16.327 0.320 -6.808 1.00 0.00 C ATOM 0 H PHE A 19 -21.236 1.000 -6.140 1.00 0.00 H new ATOM 0 HA PHE A 19 -20.802 -1.805 -6.971 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -20.218 -0.386 -4.386 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -19.860 -2.056 -4.780 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -18.814 -1.819 -7.556 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -18.185 0.536 -4.066 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -16.876 -0.688 -8.603 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -15.891 1.072 -4.842 1.00 0.00 H new ATOM 0 HZ PHE A 19 -15.453 0.767 -7.259 1.00 0.00 H new ATOM 300 N ASP A 20 -23.202 -0.525 -5.081 1.00 0.00 N ATOM 301 CA ASP A 20 -24.517 -0.791 -4.584 1.00 0.00 C ATOM 302 C ASP A 20 -25.393 -0.940 -5.780 1.00 0.00 C ATOM 303 O ASP A 20 -25.629 -0.003 -6.541 1.00 0.00 O ATOM 304 CB ASP A 20 -24.966 0.347 -3.652 1.00 0.00 C ATOM 305 CG ASP A 20 -26.301 0.111 -2.960 1.00 0.00 C ATOM 306 OD1 ASP A 20 -26.823 -1.033 -3.025 1.00 0.00 O ATOM 307 OD2 ASP A 20 -26.723 1.062 -2.249 1.00 0.00 O ATOM 0 H ASP A 20 -22.906 0.442 -4.947 1.00 0.00 H new ATOM 0 HA ASP A 20 -24.560 -1.701 -3.985 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -24.200 0.500 -2.892 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -25.030 1.269 -4.230 1.00 0.00 H new ATOM 312 N LYS A 21 -25.823 -2.202 -5.956 1.00 0.00 N ATOM 313 CA LYS A 21 -26.475 -2.716 -7.120 1.00 0.00 C ATOM 314 C LYS A 21 -27.952 -2.519 -7.113 1.00 0.00 C ATOM 315 O LYS A 21 -28.600 -2.019 -8.032 1.00 0.00 O ATOM 316 CB LYS A 21 -26.142 -4.217 -7.084 1.00 0.00 C ATOM 317 CG LYS A 21 -26.662 -4.901 -8.350 1.00 0.00 C ATOM 318 CD LYS A 21 -26.202 -6.360 -8.321 1.00 0.00 C ATOM 319 CE LYS A 21 -26.458 -7.152 -9.605 1.00 0.00 C ATOM 320 NZ LYS A 21 -25.766 -6.554 -10.768 1.00 0.00 N ATOM 0 H LYS A 21 -25.706 -2.912 -5.233 1.00 0.00 H new ATOM 0 HA LYS A 21 -26.135 -2.200 -8.018 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -25.064 -4.357 -7.002 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -26.590 -4.676 -6.203 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -27.750 -4.845 -8.394 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -26.281 -4.399 -9.239 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -25.134 -6.383 -8.107 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -26.703 -6.866 -7.496 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -26.121 -8.180 -9.471 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -27.530 -7.191 -9.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -25.836 -7.197 -11.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -26.210 -5.644 -11.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -24.764 -6.400 -10.534 1.00 0.00 H new ATOM 334 N ASP A 22 -28.579 -2.824 -5.963 1.00 0.00 N ATOM 335 CA ASP A 22 -29.965 -2.617 -5.680 1.00 0.00 C ATOM 336 C ASP A 22 -30.272 -1.188 -5.387 1.00 0.00 C ATOM 337 O ASP A 22 -31.316 -0.660 -5.765 1.00 0.00 O ATOM 338 CB ASP A 22 -30.494 -3.636 -4.658 1.00 0.00 C ATOM 339 CG ASP A 22 -29.594 -3.986 -3.481 1.00 0.00 C ATOM 340 OD1 ASP A 22 -28.439 -3.516 -3.301 1.00 0.00 O ATOM 341 OD2 ASP A 22 -29.996 -4.898 -2.710 1.00 0.00 O ATOM 0 H ASP A 22 -28.082 -3.244 -5.177 1.00 0.00 H new ATOM 0 HA ASP A 22 -30.537 -2.823 -6.585 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -31.435 -3.255 -4.260 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -30.724 -4.558 -5.191 1.00 0.00 H new ATOM 346 N GLY A 23 -29.355 -0.471 -4.714 1.00 0.00 N ATOM 347 CA GLY A 23 -29.468 0.872 -4.237 1.00 0.00 C ATOM 348 C GLY A 23 -30.126 0.956 -2.903 1.00 0.00 C ATOM 349 O GLY A 23 -30.818 1.929 -2.606 1.00 0.00 O ATOM 0 H GLY A 23 -28.447 -0.873 -4.483 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -28.474 1.316 -4.176 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -30.037 1.462 -4.956 1.00 0.00 H new ATOM 353 N ASP A 24 -29.784 0.038 -1.981 1.00 0.00 N ATOM 354 CA ASP A 24 -30.331 -0.046 -0.663 1.00 0.00 C ATOM 355 C ASP A 24 -29.572 0.660 0.407 1.00 0.00 C ATOM 356 O ASP A 24 -29.992 0.836 1.550 1.00 0.00 O ATOM 357 CB ASP A 24 -30.778 -1.463 -0.266 1.00 0.00 C ATOM 358 CG ASP A 24 -29.521 -2.274 0.012 1.00 0.00 C ATOM 359 OD1 ASP A 24 -28.437 -2.161 -0.620 1.00 0.00 O ATOM 360 OD2 ASP A 24 -29.464 -3.028 1.020 1.00 0.00 O ATOM 0 H ASP A 24 -29.088 -0.684 -2.166 1.00 0.00 H new ATOM 0 HA ASP A 24 -31.244 0.544 -0.745 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -31.417 -1.431 0.616 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -31.361 -1.920 -1.066 1.00 0.00 H new ATOM 365 N GLY A 25 -28.398 1.191 0.022 1.00 0.00 N ATOM 366 CA GLY A 25 -27.527 1.921 0.890 1.00 0.00 C ATOM 367 C GLY A 25 -26.373 1.142 1.422 1.00 0.00 C ATOM 368 O GLY A 25 -25.555 1.594 2.221 1.00 0.00 O ATOM 0 H GLY A 25 -28.042 1.109 -0.930 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -27.144 2.788 0.351 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -28.109 2.300 1.730 1.00 0.00 H new ATOM 372 N THR A 26 -26.185 -0.114 0.978 1.00 0.00 N ATOM 373 CA THR A 26 -25.178 -1.041 1.390 1.00 0.00 C ATOM 374 C THR A 26 -24.247 -1.612 0.376 1.00 0.00 C ATOM 375 O THR A 26 -24.657 -1.868 -0.755 1.00 0.00 O ATOM 376 CB THR A 26 -25.851 -2.255 1.959 1.00 0.00 C ATOM 377 OG1 THR A 26 -26.591 -3.104 1.094 1.00 0.00 O ATOM 378 CG2 THR A 26 -26.746 -1.987 3.181 1.00 0.00 C ATOM 0 H THR A 26 -26.795 -0.515 0.265 1.00 0.00 H new ATOM 0 HA THR A 26 -24.578 -0.424 2.059 1.00 0.00 H new ATOM 0 HB THR A 26 -24.941 -2.791 2.229 1.00 0.00 H new ATOM 0 HG1 THR A 26 -27.050 -2.563 0.418 1.00 0.00 H new ATOM 0 HG21 THR A 26 -27.188 -2.924 3.521 1.00 0.00 H new ATOM 0 HG22 THR A 26 -26.147 -1.557 3.983 1.00 0.00 H new ATOM 0 HG23 THR A 26 -27.538 -1.290 2.906 1.00 0.00 H new ATOM 386 N ILE A 27 -22.991 -1.868 0.783 1.00 0.00 N ATOM 387 CA ILE A 27 -22.190 -2.857 0.131 1.00 0.00 C ATOM 388 C ILE A 27 -22.085 -4.140 0.881 1.00 0.00 C ATOM 389 O ILE A 27 -21.759 -4.167 2.066 1.00 0.00 O ATOM 390 CB ILE A 27 -20.747 -2.558 -0.149 1.00 0.00 C ATOM 391 CG1 ILE A 27 -20.516 -1.077 -0.493 1.00 0.00 C ATOM 392 CG2 ILE A 27 -20.270 -3.313 -1.401 1.00 0.00 C ATOM 393 CD1 ILE A 27 -19.073 -0.608 -0.313 1.00 0.00 C ATOM 0 H ILE A 27 -22.532 -1.393 1.560 1.00 0.00 H new ATOM 0 HA ILE A 27 -22.758 -2.893 -0.799 1.00 0.00 H new ATOM 0 HB ILE A 27 -20.214 -2.848 0.756 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -20.815 -0.905 -1.527 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -21.166 -0.465 0.133 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -19.221 -3.083 -1.587 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -20.384 -4.386 -1.244 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -20.867 -3.006 -2.260 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -18.998 0.447 -0.577 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -18.773 -0.744 0.726 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -18.417 -1.191 -0.960 1.00 0.00 H new ATOM 405 N THR A 28 -22.543 -5.272 0.317 1.00 0.00 N ATOM 406 CA THR A 28 -22.530 -6.562 0.933 1.00 0.00 C ATOM 407 C THR A 28 -21.332 -7.359 0.545 1.00 0.00 C ATOM 408 O THR A 28 -20.442 -6.860 -0.142 1.00 0.00 O ATOM 409 CB THR A 28 -23.742 -7.314 0.469 1.00 0.00 C ATOM 410 OG1 THR A 28 -23.803 -7.463 -0.942 1.00 0.00 O ATOM 411 CG2 THR A 28 -25.124 -6.695 0.739 1.00 0.00 C ATOM 0 H THR A 28 -22.944 -5.287 -0.621 1.00 0.00 H new ATOM 0 HA THR A 28 -22.516 -6.418 2.013 1.00 0.00 H new ATOM 0 HB THR A 28 -23.590 -8.224 1.049 1.00 0.00 H new ATOM 0 HG1 THR A 28 -24.200 -6.660 -1.339 1.00 0.00 H new ATOM 0 HG21 THR A 28 -25.900 -7.352 0.347 1.00 0.00 H new ATOM 0 HG22 THR A 28 -25.263 -6.570 1.813 1.00 0.00 H new ATOM 0 HG23 THR A 28 -25.190 -5.724 0.249 1.00 0.00 H new ATOM 419 N THR A 29 -21.245 -8.658 0.880 1.00 0.00 N ATOM 420 CA THR A 29 -20.236 -9.635 0.614 1.00 0.00 C ATOM 421 C THR A 29 -20.242 -9.945 -0.844 1.00 0.00 C ATOM 422 O THR A 29 -19.186 -10.180 -1.429 1.00 0.00 O ATOM 423 CB THR A 29 -20.357 -10.932 1.358 1.00 0.00 C ATOM 424 OG1 THR A 29 -21.723 -11.312 1.433 1.00 0.00 O ATOM 425 CG2 THR A 29 -19.956 -10.778 2.835 1.00 0.00 C ATOM 0 H THR A 29 -22.001 -9.080 1.419 1.00 0.00 H new ATOM 0 HA THR A 29 -19.309 -9.179 0.961 1.00 0.00 H new ATOM 0 HB THR A 29 -19.723 -11.644 0.830 1.00 0.00 H new ATOM 0 HG1 THR A 29 -21.800 -12.160 1.918 1.00 0.00 H new ATOM 0 HG21 THR A 29 -20.057 -11.738 3.341 1.00 0.00 H new ATOM 0 HG22 THR A 29 -18.921 -10.441 2.898 1.00 0.00 H new ATOM 0 HG23 THR A 29 -20.606 -10.045 3.314 1.00 0.00 H new ATOM 433 N LYS A 30 -21.462 -9.968 -1.409 1.00 0.00 N ATOM 434 CA LYS A 30 -21.766 -10.332 -2.758 1.00 0.00 C ATOM 435 C LYS A 30 -21.346 -9.193 -3.621 1.00 0.00 C ATOM 436 O LYS A 30 -20.603 -9.271 -4.598 1.00 0.00 O ATOM 437 CB LYS A 30 -23.275 -10.606 -2.866 1.00 0.00 C ATOM 438 CG LYS A 30 -23.899 -11.595 -1.880 1.00 0.00 C ATOM 439 CD LYS A 30 -23.289 -12.998 -1.865 1.00 0.00 C ATOM 440 CE LYS A 30 -24.117 -14.068 -1.150 1.00 0.00 C ATOM 441 NZ LYS A 30 -23.439 -15.375 -0.999 1.00 0.00 N ATOM 0 H LYS A 30 -22.298 -9.713 -0.882 1.00 0.00 H new ATOM 0 HA LYS A 30 -21.243 -11.235 -3.073 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -23.795 -9.654 -2.758 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -23.477 -10.968 -3.874 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -23.822 -11.176 -0.877 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -24.961 -11.684 -2.108 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -23.128 -13.316 -2.895 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -22.309 -12.944 -1.391 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -24.388 -13.698 -0.161 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -25.046 -14.217 -1.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -23.780 -15.845 -0.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -23.648 -15.972 -1.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -22.412 -15.227 -0.930 1.00 0.00 H new ATOM 455 N GLU A 31 -21.621 -7.971 -3.130 1.00 0.00 N ATOM 456 CA GLU A 31 -21.268 -6.759 -3.801 1.00 0.00 C ATOM 457 C GLU A 31 -19.808 -6.471 -3.737 1.00 0.00 C ATOM 458 O GLU A 31 -19.149 -6.112 -4.712 1.00 0.00 O ATOM 459 CB GLU A 31 -22.217 -5.626 -3.375 1.00 0.00 C ATOM 460 CG GLU A 31 -23.700 -5.870 -3.659 1.00 0.00 C ATOM 461 CD GLU A 31 -24.546 -4.778 -3.020 1.00 0.00 C ATOM 462 OE1 GLU A 31 -24.623 -4.838 -1.764 1.00 0.00 O ATOM 463 OE2 GLU A 31 -25.171 -3.879 -3.643 1.00 0.00 O ATOM 0 H GLU A 31 -22.102 -7.822 -2.243 1.00 0.00 H new ATOM 0 HA GLU A 31 -21.426 -6.871 -4.874 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -22.093 -5.454 -2.306 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -21.913 -4.711 -3.883 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -23.873 -5.891 -4.735 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -23.997 -6.844 -3.270 1.00 0.00 H new ATOM 470 N LEU A 32 -19.197 -6.690 -2.559 1.00 0.00 N ATOM 471 CA LEU A 32 -17.787 -6.475 -2.461 1.00 0.00 C ATOM 472 C LEU A 32 -17.055 -7.567 -3.163 1.00 0.00 C ATOM 473 O LEU A 32 -16.032 -7.352 -3.811 1.00 0.00 O ATOM 474 CB LEU A 32 -17.318 -6.243 -1.015 1.00 0.00 C ATOM 475 CG LEU A 32 -15.812 -5.954 -0.895 1.00 0.00 C ATOM 476 CD1 LEU A 32 -15.384 -4.652 -1.593 1.00 0.00 C ATOM 477 CD2 LEU A 32 -15.455 -5.892 0.600 1.00 0.00 C ATOM 0 H LEU A 32 -19.657 -7.004 -1.705 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.545 -5.543 -2.971 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -17.875 -5.407 -0.591 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -17.559 -7.122 -0.418 1.00 0.00 H new ATOM 0 HG LEU A 32 -15.274 -6.756 -1.400 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -14.310 -4.509 -1.470 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -15.622 -4.713 -2.655 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -15.916 -3.810 -1.150 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.390 -5.688 0.712 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.029 -5.098 1.078 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -15.693 -6.846 1.071 1.00 0.00 H new ATOM 489 N GLY A 33 -17.569 -8.807 -3.257 1.00 0.00 N ATOM 490 CA GLY A 33 -17.224 -9.884 -4.132 1.00 0.00 C ATOM 491 C GLY A 33 -17.160 -9.487 -5.567 1.00 0.00 C ATOM 492 O GLY A 33 -16.183 -9.742 -6.269 1.00 0.00 O ATOM 0 H GLY A 33 -18.327 -9.086 -2.634 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.258 -10.290 -3.832 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.956 -10.684 -4.017 1.00 0.00 H new ATOM 496 N THR A 34 -18.227 -8.860 -6.093 1.00 0.00 N ATOM 497 CA THR A 34 -18.235 -8.301 -7.409 1.00 0.00 C ATOM 498 C THR A 34 -17.228 -7.237 -7.684 1.00 0.00 C ATOM 499 O THR A 34 -16.703 -7.161 -8.794 1.00 0.00 O ATOM 500 CB THR A 34 -19.589 -7.774 -7.783 1.00 0.00 C ATOM 501 OG1 THR A 34 -20.483 -8.867 -7.631 1.00 0.00 O ATOM 502 CG2 THR A 34 -19.761 -7.300 -9.236 1.00 0.00 C ATOM 0 H THR A 34 -19.106 -8.739 -5.591 1.00 0.00 H new ATOM 0 HA THR A 34 -17.955 -9.155 -8.025 1.00 0.00 H new ATOM 0 HB THR A 34 -19.762 -6.902 -7.152 1.00 0.00 H new ATOM 0 HG1 THR A 34 -20.698 -8.984 -6.682 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.780 -6.942 -9.384 1.00 0.00 H new ATOM 0 HG22 THR A 34 -19.059 -6.491 -9.440 1.00 0.00 H new ATOM 0 HG23 THR A 34 -19.566 -8.130 -9.915 1.00 0.00 H new ATOM 510 N VAL A 35 -16.987 -6.298 -6.752 1.00 0.00 N ATOM 511 CA VAL A 35 -15.867 -5.415 -6.853 1.00 0.00 C ATOM 512 C VAL A 35 -14.544 -6.097 -6.922 1.00 0.00 C ATOM 513 O VAL A 35 -13.687 -5.710 -7.715 1.00 0.00 O ATOM 514 CB VAL A 35 -15.786 -4.609 -5.590 1.00 0.00 C ATOM 515 CG1 VAL A 35 -14.496 -3.789 -5.424 1.00 0.00 C ATOM 516 CG2 VAL A 35 -16.963 -3.620 -5.596 1.00 0.00 C ATOM 0 H VAL A 35 -17.569 -6.150 -5.927 1.00 0.00 H new ATOM 0 HA VAL A 35 -16.034 -4.847 -7.768 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.808 -5.323 -4.767 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -14.532 -3.241 -4.482 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.637 -4.459 -5.422 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -14.404 -3.084 -6.250 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -16.935 -3.016 -4.689 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -16.888 -2.970 -6.468 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -17.902 -4.172 -5.635 1.00 0.00 H new ATOM 526 N MET A 36 -14.176 -7.075 -6.075 1.00 0.00 N ATOM 527 CA MET A 36 -12.904 -7.719 -6.189 1.00 0.00 C ATOM 528 C MET A 36 -12.778 -8.504 -7.449 1.00 0.00 C ATOM 529 O MET A 36 -11.788 -8.385 -8.169 1.00 0.00 O ATOM 530 CB MET A 36 -12.587 -8.453 -4.875 1.00 0.00 C ATOM 531 CG MET A 36 -12.298 -7.625 -3.621 1.00 0.00 C ATOM 532 SD MET A 36 -11.119 -6.265 -3.875 1.00 0.00 S ATOM 533 CE MET A 36 -11.374 -5.510 -2.243 1.00 0.00 C ATOM 0 H MET A 36 -14.759 -7.420 -5.312 1.00 0.00 H new ATOM 0 HA MET A 36 -12.109 -6.983 -6.306 1.00 0.00 H new ATOM 0 HB2 MET A 36 -13.429 -9.108 -4.651 1.00 0.00 H new ATOM 0 HB3 MET A 36 -11.723 -9.093 -5.054 1.00 0.00 H new ATOM 0 HG2 MET A 36 -13.236 -7.212 -3.249 1.00 0.00 H new ATOM 0 HG3 MET A 36 -11.910 -8.286 -2.845 1.00 0.00 H new ATOM 0 HE1 MET A 36 -11.753 -4.496 -2.367 1.00 0.00 H new ATOM 0 HE2 MET A 36 -12.095 -6.101 -1.678 1.00 0.00 H new ATOM 0 HE3 MET A 36 -10.427 -5.480 -1.704 1.00 0.00 H new ATOM 543 N ARG A 37 -13.811 -9.291 -7.800 1.00 0.00 N ATOM 544 CA ARG A 37 -13.871 -10.091 -8.984 1.00 0.00 C ATOM 545 C ARG A 37 -13.691 -9.297 -10.231 1.00 0.00 C ATOM 546 O ARG A 37 -13.032 -9.657 -11.205 1.00 0.00 O ATOM 547 CB ARG A 37 -15.173 -10.909 -9.030 1.00 0.00 C ATOM 548 CG ARG A 37 -14.947 -12.223 -9.781 1.00 0.00 C ATOM 549 CD ARG A 37 -14.191 -13.253 -8.940 1.00 0.00 C ATOM 550 NE ARG A 37 -13.851 -14.461 -9.744 1.00 0.00 N ATOM 551 CZ ARG A 37 -14.602 -15.593 -9.875 1.00 0.00 C ATOM 552 NH1 ARG A 37 -15.915 -15.576 -9.504 1.00 0.00 N ATOM 553 NH2 ARG A 37 -14.073 -16.634 -10.582 1.00 0.00 N ATOM 0 H ARG A 37 -14.650 -9.373 -7.226 1.00 0.00 H new ATOM 0 HA ARG A 37 -13.029 -10.782 -8.935 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -15.517 -11.116 -8.017 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -15.956 -10.332 -9.521 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -15.910 -12.638 -10.079 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -14.388 -12.024 -10.696 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.278 -12.806 -8.547 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -14.799 -13.543 -8.083 1.00 0.00 H new ATOM 0 HE ARG A 37 -12.965 -14.439 -10.249 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -16.329 -14.721 -9.132 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -16.483 -16.418 -9.599 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -13.143 -16.551 -10.993 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -14.608 -17.495 -10.699 1.00 0.00 H new ATOM 567 N SER A 38 -14.305 -8.102 -10.275 1.00 0.00 N ATOM 568 CA SER A 38 -14.052 -7.178 -11.337 1.00 0.00 C ATOM 569 C SER A 38 -12.675 -6.611 -11.390 1.00 0.00 C ATOM 570 O SER A 38 -12.199 -6.320 -12.486 1.00 0.00 O ATOM 571 CB SER A 38 -15.081 -6.055 -11.125 1.00 0.00 C ATOM 572 OG SER A 38 -16.422 -6.447 -11.383 1.00 0.00 O ATOM 0 H SER A 38 -14.975 -7.776 -9.578 1.00 0.00 H new ATOM 0 HA SER A 38 -14.140 -7.702 -12.289 1.00 0.00 H new ATOM 0 HB2 SER A 38 -15.008 -5.698 -10.098 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.827 -5.216 -11.773 1.00 0.00 H new ATOM 0 HG SER A 38 -16.834 -6.769 -10.554 1.00 0.00 H new ATOM 578 N LEU A 39 -11.976 -6.499 -10.246 1.00 0.00 N ATOM 579 CA LEU A 39 -10.611 -6.075 -10.216 1.00 0.00 C ATOM 580 C LEU A 39 -9.704 -7.185 -10.624 1.00 0.00 C ATOM 581 O LEU A 39 -8.507 -6.902 -10.639 1.00 0.00 O ATOM 582 CB LEU A 39 -10.117 -5.525 -8.868 1.00 0.00 C ATOM 583 CG LEU A 39 -10.871 -4.273 -8.389 1.00 0.00 C ATOM 584 CD1 LEU A 39 -10.503 -3.736 -6.996 1.00 0.00 C ATOM 585 CD2 LEU A 39 -10.644 -3.217 -9.484 1.00 0.00 C ATOM 0 H LEU A 39 -12.366 -6.706 -9.326 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.581 -5.245 -10.922 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -10.212 -6.305 -8.112 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.056 -5.288 -8.951 1.00 0.00 H new ATOM 0 HG LEU A 39 -11.919 -4.538 -8.249 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.103 -2.853 -6.776 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.698 -4.503 -6.247 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.446 -3.470 -6.976 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.154 -2.294 -9.210 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.576 -3.024 -9.588 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.040 -3.584 -10.431 1.00 0.00 H new ATOM 597 N GLY A 40 -10.144 -8.401 -10.993 1.00 0.00 N ATOM 598 CA GLY A 40 -9.261 -9.457 -11.381 1.00 0.00 C ATOM 599 C GLY A 40 -8.842 -10.355 -10.268 1.00 0.00 C ATOM 600 O GLY A 40 -7.968 -11.210 -10.401 1.00 0.00 O ATOM 0 H GLY A 40 -11.131 -8.656 -11.023 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.748 -10.056 -12.150 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.370 -9.021 -11.833 1.00 0.00 H new ATOM 604 N GLN A 41 -9.418 -10.113 -9.077 1.00 0.00 N ATOM 605 CA GLN A 41 -9.141 -10.839 -7.877 1.00 0.00 C ATOM 606 C GLN A 41 -10.006 -12.023 -7.612 1.00 0.00 C ATOM 607 O GLN A 41 -11.024 -12.257 -8.260 1.00 0.00 O ATOM 608 CB GLN A 41 -9.098 -9.874 -6.680 1.00 0.00 C ATOM 609 CG GLN A 41 -7.893 -8.942 -6.822 1.00 0.00 C ATOM 610 CD GLN A 41 -7.882 -7.861 -5.751 1.00 0.00 C ATOM 611 OE1 GLN A 41 -7.705 -6.666 -5.981 1.00 0.00 O ATOM 612 NE2 GLN A 41 -7.914 -8.325 -4.473 1.00 0.00 N ATOM 0 H GLN A 41 -10.110 -9.375 -8.945 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.159 -11.287 -8.030 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.019 -9.292 -6.635 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.030 -10.436 -5.748 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.974 -9.525 -6.759 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.908 -8.476 -7.807 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -8.062 -9.318 -4.295 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.790 -7.680 -3.693 1.00 0.00 H new ATOM 621 N ASN A 42 -9.541 -12.913 -6.716 1.00 0.00 N ATOM 622 CA ASN A 42 -10.137 -14.162 -6.359 1.00 0.00 C ATOM 623 C ASN A 42 -10.527 -14.344 -4.933 1.00 0.00 C ATOM 624 O ASN A 42 -9.810 -15.062 -4.237 1.00 0.00 O ATOM 625 CB ASN A 42 -9.276 -15.405 -6.644 1.00 0.00 C ATOM 626 CG ASN A 42 -9.016 -15.611 -8.129 1.00 0.00 C ATOM 627 OD1 ASN A 42 -9.925 -15.640 -8.958 1.00 0.00 O ATOM 628 ND2 ASN A 42 -7.715 -15.755 -8.497 1.00 0.00 N ATOM 0 H ASN A 42 -8.677 -12.743 -6.201 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.015 -14.093 -7.001 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.324 -15.310 -6.122 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.774 -16.287 -6.241 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.475 -15.891 -9.479 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.979 -15.727 -7.791 1.00 0.00 H new ATOM 635 N PRO A 43 -11.621 -13.860 -4.425 1.00 0.00 N ATOM 636 CA PRO A 43 -11.858 -13.874 -3.011 1.00 0.00 C ATOM 637 C PRO A 43 -12.589 -15.114 -2.625 1.00 0.00 C ATOM 638 O PRO A 43 -13.259 -15.748 -3.440 1.00 0.00 O ATOM 639 CB PRO A 43 -12.767 -12.683 -2.716 1.00 0.00 C ATOM 640 CG PRO A 43 -13.456 -12.313 -4.039 1.00 0.00 C ATOM 641 CD PRO A 43 -12.389 -12.787 -5.038 1.00 0.00 C ATOM 0 HA PRO A 43 -10.916 -13.831 -2.464 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -13.504 -12.938 -1.954 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -12.190 -11.842 -2.332 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -14.408 -12.827 -4.171 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -13.657 -11.245 -4.120 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -12.860 -13.136 -5.957 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -11.733 -11.961 -5.311 1.00 0.00 H new ATOM 649 N THR A 44 -12.653 -15.342 -1.302 1.00 0.00 N ATOM 650 CA THR A 44 -13.731 -16.079 -0.717 1.00 0.00 C ATOM 651 C THR A 44 -14.605 -15.125 0.022 1.00 0.00 C ATOM 652 O THR A 44 -14.218 -13.999 0.328 1.00 0.00 O ATOM 653 CB THR A 44 -13.286 -17.179 0.200 1.00 0.00 C ATOM 654 OG1 THR A 44 -12.523 -16.715 1.304 1.00 0.00 O ATOM 655 CG2 THR A 44 -12.398 -18.221 -0.502 1.00 0.00 C ATOM 0 H THR A 44 -11.955 -15.015 -0.634 1.00 0.00 H new ATOM 0 HA THR A 44 -14.269 -16.569 -1.528 1.00 0.00 H new ATOM 0 HB THR A 44 -14.226 -17.619 0.534 1.00 0.00 H new ATOM 0 HG1 THR A 44 -11.638 -16.430 0.994 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.107 -18.992 0.212 1.00 0.00 H new ATOM 0 HG22 THR A 44 -12.952 -18.677 -1.323 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.505 -17.734 -0.893 1.00 0.00 H new ATOM 663 N GLU A 45 -15.874 -15.543 0.180 1.00 0.00 N ATOM 664 CA GLU A 45 -16.890 -14.911 0.964 1.00 0.00 C ATOM 665 C GLU A 45 -16.541 -14.721 2.400 1.00 0.00 C ATOM 666 O GLU A 45 -16.826 -13.660 2.952 1.00 0.00 O ATOM 667 CB GLU A 45 -18.203 -15.708 0.887 1.00 0.00 C ATOM 668 CG GLU A 45 -19.286 -14.904 1.611 1.00 0.00 C ATOM 669 CD GLU A 45 -20.654 -15.418 1.187 1.00 0.00 C ATOM 670 OE1 GLU A 45 -20.955 -15.299 -0.030 1.00 0.00 O ATOM 671 OE2 GLU A 45 -21.390 -15.919 2.079 1.00 0.00 O ATOM 0 H GLU A 45 -16.215 -16.389 -0.277 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.998 -13.918 0.528 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -18.485 -15.879 -0.152 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -18.082 -16.688 1.349 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -19.167 -14.999 2.690 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -19.191 -13.845 1.372 1.00 0.00 H new ATOM 678 N ALA A 46 -15.812 -15.635 3.065 1.00 0.00 N ATOM 679 CA ALA A 46 -15.363 -15.500 4.416 1.00 0.00 C ATOM 680 C ALA A 46 -14.309 -14.476 4.662 1.00 0.00 C ATOM 681 O ALA A 46 -14.428 -13.683 5.595 1.00 0.00 O ATOM 682 CB ALA A 46 -15.052 -16.839 5.105 1.00 0.00 C ATOM 0 H ALA A 46 -15.521 -16.514 2.637 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.245 -15.088 4.907 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -14.718 -16.654 6.126 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -15.950 -17.456 5.124 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -14.267 -17.358 4.555 1.00 0.00 H new ATOM 688 N GLU A 47 -13.337 -14.368 3.739 1.00 0.00 N ATOM 689 CA GLU A 47 -12.327 -13.358 3.668 1.00 0.00 C ATOM 690 C GLU A 47 -12.856 -11.986 3.430 1.00 0.00 C ATOM 691 O GLU A 47 -12.603 -11.054 4.192 1.00 0.00 O ATOM 692 CB GLU A 47 -11.267 -13.693 2.605 1.00 0.00 C ATOM 693 CG GLU A 47 -10.386 -14.853 3.072 1.00 0.00 C ATOM 694 CD GLU A 47 -9.327 -15.151 2.020 1.00 0.00 C ATOM 695 OE1 GLU A 47 -9.782 -15.767 1.019 1.00 0.00 O ATOM 696 OE2 GLU A 47 -8.135 -15.007 2.402 1.00 0.00 O ATOM 0 H GLU A 47 -13.252 -15.044 2.980 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.868 -13.354 4.657 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.755 -13.955 1.666 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.650 -12.816 2.410 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.910 -14.602 4.020 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.997 -15.738 3.247 1.00 0.00 H new ATOM 703 N LEU A 48 -13.745 -11.849 2.430 1.00 0.00 N ATOM 704 CA LEU A 48 -14.600 -10.723 2.222 1.00 0.00 C ATOM 705 C LEU A 48 -15.270 -10.314 3.488 1.00 0.00 C ATOM 706 O LEU A 48 -15.156 -9.144 3.851 1.00 0.00 O ATOM 707 CB LEU A 48 -15.702 -10.967 1.177 1.00 0.00 C ATOM 708 CG LEU A 48 -15.142 -10.879 -0.253 1.00 0.00 C ATOM 709 CD1 LEU A 48 -16.092 -11.531 -1.272 1.00 0.00 C ATOM 710 CD2 LEU A 48 -14.809 -9.429 -0.642 1.00 0.00 C ATOM 0 H LEU A 48 -13.874 -12.572 1.722 1.00 0.00 H new ATOM 0 HA LEU A 48 -13.938 -9.940 1.853 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -16.147 -11.949 1.336 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.497 -10.232 1.305 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.209 -11.442 -0.270 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -15.664 -11.450 -2.271 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -16.230 -12.582 -1.020 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -17.056 -11.023 -1.248 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -14.416 -9.406 -1.658 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -15.712 -8.821 -0.588 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -14.062 -9.030 0.045 1.00 0.00 H new ATOM 722 N GLN A 49 -16.043 -11.171 4.179 1.00 0.00 N ATOM 723 CA GLN A 49 -16.716 -10.915 5.415 1.00 0.00 C ATOM 724 C GLN A 49 -15.832 -10.366 6.481 1.00 0.00 C ATOM 725 O GLN A 49 -16.196 -9.432 7.194 1.00 0.00 O ATOM 726 CB GLN A 49 -17.394 -12.179 5.972 1.00 0.00 C ATOM 727 CG GLN A 49 -18.396 -12.015 7.117 1.00 0.00 C ATOM 728 CD GLN A 49 -18.810 -13.404 7.580 1.00 0.00 C ATOM 729 OE1 GLN A 49 -18.067 -14.381 7.497 1.00 0.00 O ATOM 730 NE2 GLN A 49 -20.065 -13.481 8.097 1.00 0.00 N ATOM 0 H GLN A 49 -16.210 -12.120 3.845 1.00 0.00 H new ATOM 0 HA GLN A 49 -17.460 -10.160 5.160 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -17.908 -12.672 5.147 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -16.610 -12.857 6.310 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -17.948 -11.457 7.939 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -19.266 -11.449 6.784 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -20.648 -12.646 8.147 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -20.424 -14.374 8.435 1.00 0.00 H new ATOM 739 N ASP A 50 -14.596 -10.872 6.637 1.00 0.00 N ATOM 740 CA ASP A 50 -13.694 -10.506 7.685 1.00 0.00 C ATOM 741 C ASP A 50 -13.131 -9.149 7.438 1.00 0.00 C ATOM 742 O ASP A 50 -12.997 -8.289 8.308 1.00 0.00 O ATOM 743 CB ASP A 50 -12.582 -11.569 7.703 1.00 0.00 C ATOM 744 CG ASP A 50 -11.768 -11.326 8.965 1.00 0.00 C ATOM 745 OD1 ASP A 50 -10.840 -10.478 9.055 1.00 0.00 O ATOM 746 OD2 ASP A 50 -12.045 -12.040 9.965 1.00 0.00 O ATOM 0 H ASP A 50 -14.207 -11.569 6.002 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.204 -10.467 8.647 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.006 -12.573 7.703 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.954 -11.488 6.816 1.00 0.00 H new ATOM 751 N MET A 51 -12.867 -8.821 6.160 1.00 0.00 N ATOM 752 CA MET A 51 -12.617 -7.509 5.649 1.00 0.00 C ATOM 753 C MET A 51 -13.677 -6.471 5.790 1.00 0.00 C ATOM 754 O MET A 51 -13.434 -5.336 6.197 1.00 0.00 O ATOM 755 CB MET A 51 -12.138 -7.583 4.190 1.00 0.00 C ATOM 756 CG MET A 51 -12.091 -6.379 3.248 1.00 0.00 C ATOM 757 SD MET A 51 -11.224 -6.685 1.679 1.00 0.00 S ATOM 758 CE MET A 51 -11.138 -4.872 1.639 1.00 0.00 C ATOM 0 H MET A 51 -12.826 -9.530 5.428 1.00 0.00 H new ATOM 0 HA MET A 51 -11.840 -7.145 6.321 1.00 0.00 H new ATOM 0 HB2 MET A 51 -11.126 -7.986 4.221 1.00 0.00 H new ATOM 0 HB3 MET A 51 -12.764 -8.329 3.701 1.00 0.00 H new ATOM 0 HG2 MET A 51 -13.111 -6.064 3.030 1.00 0.00 H new ATOM 0 HG3 MET A 51 -11.605 -5.550 3.762 1.00 0.00 H new ATOM 0 HE1 MET A 51 -10.887 -4.542 0.631 1.00 0.00 H new ATOM 0 HE2 MET A 51 -12.103 -4.456 1.928 1.00 0.00 H new ATOM 0 HE3 MET A 51 -10.372 -4.529 2.334 1.00 0.00 H new ATOM 768 N ILE A 52 -14.955 -6.875 5.677 1.00 0.00 N ATOM 769 CA ILE A 52 -16.074 -6.074 6.067 1.00 0.00 C ATOM 770 C ILE A 52 -16.075 -5.787 7.529 1.00 0.00 C ATOM 771 O ILE A 52 -16.191 -4.658 8.002 1.00 0.00 O ATOM 772 CB ILE A 52 -17.316 -6.803 5.647 1.00 0.00 C ATOM 773 CG1 ILE A 52 -17.459 -6.807 4.116 1.00 0.00 C ATOM 774 CG2 ILE A 52 -18.564 -6.127 6.240 1.00 0.00 C ATOM 775 CD1 ILE A 52 -18.617 -7.676 3.628 1.00 0.00 C ATOM 0 H ILE A 52 -15.218 -7.787 5.303 1.00 0.00 H new ATOM 0 HA ILE A 52 -16.021 -5.101 5.578 1.00 0.00 H new ATOM 0 HB ILE A 52 -17.231 -7.826 6.013 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -17.607 -5.785 3.768 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -16.531 -7.164 3.671 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -19.456 -6.669 5.925 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -18.500 -6.135 7.328 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -18.622 -5.097 5.888 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -18.667 -7.638 2.540 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -18.459 -8.706 3.949 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -19.552 -7.305 4.047 1.00 0.00 H new ATOM 787 N ASN A 53 -15.912 -6.853 8.333 1.00 0.00 N ATOM 788 CA ASN A 53 -16.163 -6.825 9.741 1.00 0.00 C ATOM 789 C ASN A 53 -15.120 -6.049 10.468 1.00 0.00 C ATOM 790 O ASN A 53 -15.306 -5.529 11.568 1.00 0.00 O ATOM 791 CB ASN A 53 -16.248 -8.296 10.180 1.00 0.00 C ATOM 792 CG ASN A 53 -17.555 -8.993 9.830 1.00 0.00 C ATOM 793 OD1 ASN A 53 -18.416 -8.515 9.094 1.00 0.00 O ATOM 794 ND2 ASN A 53 -17.740 -10.199 10.432 1.00 0.00 N ATOM 0 H ASN A 53 -15.596 -7.762 7.994 1.00 0.00 H new ATOM 0 HA ASN A 53 -17.093 -6.309 9.980 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -15.426 -8.845 9.721 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -16.103 -8.347 11.259 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -18.603 -10.720 10.275 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -17.016 -10.582 11.040 1.00 0.00 H new ATOM 801 N GLU A 54 -14.055 -5.657 9.747 1.00 0.00 N ATOM 802 CA GLU A 54 -13.142 -4.660 10.213 1.00 0.00 C ATOM 803 C GLU A 54 -13.770 -3.309 10.221 1.00 0.00 C ATOM 804 O GLU A 54 -13.760 -2.669 11.272 1.00 0.00 O ATOM 805 CB GLU A 54 -11.944 -4.563 9.254 1.00 0.00 C ATOM 806 CG GLU A 54 -10.909 -5.684 9.369 1.00 0.00 C ATOM 807 CD GLU A 54 -9.666 -5.409 8.535 1.00 0.00 C ATOM 808 OE1 GLU A 54 -9.537 -4.275 8.000 1.00 0.00 O ATOM 809 OE2 GLU A 54 -8.758 -6.279 8.452 1.00 0.00 O ATOM 0 H GLU A 54 -13.824 -6.037 8.829 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.842 -4.951 11.220 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.321 -4.545 8.232 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.442 -3.611 9.425 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.623 -5.806 10.414 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.358 -6.624 9.049 1.00 0.00 H new ATOM 816 N VAL A 55 -14.446 -2.909 9.129 1.00 0.00 N ATOM 817 CA VAL A 55 -14.915 -1.568 8.967 1.00 0.00 C ATOM 818 C VAL A 55 -16.358 -1.384 9.289 1.00 0.00 C ATOM 819 O VAL A 55 -16.869 -0.265 9.325 1.00 0.00 O ATOM 820 CB VAL A 55 -14.571 -1.067 7.595 1.00 0.00 C ATOM 821 CG1 VAL A 55 -13.083 -0.813 7.300 1.00 0.00 C ATOM 822 CG2 VAL A 55 -15.248 -1.975 6.553 1.00 0.00 C ATOM 0 H VAL A 55 -14.670 -3.525 8.348 1.00 0.00 H new ATOM 0 HA VAL A 55 -14.395 -0.960 9.707 1.00 0.00 H new ATOM 0 HB VAL A 55 -14.969 -0.054 7.534 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -12.971 -0.454 6.277 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -12.698 -0.064 7.991 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -12.524 -1.741 7.422 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -15.006 -1.622 5.551 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -14.890 -2.997 6.674 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -16.328 -1.950 6.696 1.00 0.00 H new ATOM 832 N ASP A 56 -16.954 -2.478 9.795 1.00 0.00 N ATOM 833 CA ASP A 56 -18.317 -2.622 10.203 1.00 0.00 C ATOM 834 C ASP A 56 -18.499 -2.240 11.632 1.00 0.00 C ATOM 835 O ASP A 56 -18.402 -3.023 12.575 1.00 0.00 O ATOM 836 CB ASP A 56 -18.982 -3.950 9.803 1.00 0.00 C ATOM 837 CG ASP A 56 -20.494 -3.857 9.949 1.00 0.00 C ATOM 838 OD1 ASP A 56 -20.977 -2.719 10.192 1.00 0.00 O ATOM 839 OD2 ASP A 56 -21.211 -4.867 9.716 1.00 0.00 O ATOM 0 H ASP A 56 -16.430 -3.343 9.930 1.00 0.00 H new ATOM 0 HA ASP A 56 -18.885 -1.901 9.614 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -18.725 -4.196 8.773 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -18.600 -4.757 10.428 1.00 0.00 H new ATOM 844 N ALA A 57 -18.679 -0.919 11.808 1.00 0.00 N ATOM 845 CA ALA A 57 -18.620 -0.383 13.133 1.00 0.00 C ATOM 846 C ALA A 57 -19.905 -0.676 13.828 1.00 0.00 C ATOM 847 O ALA A 57 -19.882 -0.970 15.022 1.00 0.00 O ATOM 848 CB ALA A 57 -18.187 1.089 13.235 1.00 0.00 C ATOM 0 H ALA A 57 -18.859 -0.244 11.065 1.00 0.00 H new ATOM 0 HA ALA A 57 -17.804 -0.889 13.649 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -18.176 1.393 14.282 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -17.189 1.205 12.813 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -18.889 1.714 12.683 1.00 0.00 H new ATOM 854 N ASP A 58 -20.990 -0.487 13.056 1.00 0.00 N ATOM 855 CA ASP A 58 -22.306 -0.662 13.586 1.00 0.00 C ATOM 856 C ASP A 58 -22.864 -2.028 13.793 1.00 0.00 C ATOM 857 O ASP A 58 -23.756 -2.355 14.574 1.00 0.00 O ATOM 858 CB ASP A 58 -23.240 0.341 12.889 1.00 0.00 C ATOM 859 CG ASP A 58 -23.555 0.066 11.425 1.00 0.00 C ATOM 860 OD1 ASP A 58 -23.299 -1.056 10.912 1.00 0.00 O ATOM 861 OD2 ASP A 58 -24.072 1.010 10.771 1.00 0.00 O ATOM 0 H ASP A 58 -20.957 -0.215 12.073 1.00 0.00 H new ATOM 0 HA ASP A 58 -22.211 -0.442 14.649 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -24.180 0.374 13.441 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -22.793 1.332 12.962 1.00 0.00 H new ATOM 866 N GLY A 59 -22.286 -2.923 12.972 1.00 0.00 N ATOM 867 CA GLY A 59 -22.400 -4.341 13.120 1.00 0.00 C ATOM 868 C GLY A 59 -23.628 -4.882 12.471 1.00 0.00 C ATOM 869 O GLY A 59 -24.173 -5.794 13.090 1.00 0.00 O ATOM 0 H GLY A 59 -21.716 -2.647 12.172 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -21.522 -4.821 12.687 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -22.411 -4.593 14.180 1.00 0.00 H new ATOM 873 N ASN A 60 -24.081 -4.368 11.314 1.00 0.00 N ATOM 874 CA ASN A 60 -25.199 -4.914 10.608 1.00 0.00 C ATOM 875 C ASN A 60 -24.931 -5.973 9.595 1.00 0.00 C ATOM 876 O ASN A 60 -25.904 -6.638 9.244 1.00 0.00 O ATOM 877 CB ASN A 60 -26.092 -3.872 9.914 1.00 0.00 C ATOM 878 CG ASN A 60 -25.286 -2.865 9.104 1.00 0.00 C ATOM 879 OD1 ASN A 60 -24.150 -3.104 8.700 1.00 0.00 O ATOM 880 ND2 ASN A 60 -25.961 -1.758 8.695 1.00 0.00 N ATOM 0 H ASN A 60 -23.662 -3.557 10.859 1.00 0.00 H new ATOM 0 HA ASN A 60 -25.705 -5.377 11.455 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -26.797 -4.381 9.257 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -26.680 -3.344 10.664 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -25.525 -1.108 8.041 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -26.903 -1.578 9.042 1.00 0.00 H new ATOM 887 N GLY A 61 -23.635 -6.212 9.322 1.00 0.00 N ATOM 888 CA GLY A 61 -23.120 -7.151 8.375 1.00 0.00 C ATOM 889 C GLY A 61 -22.597 -6.606 7.091 1.00 0.00 C ATOM 890 O GLY A 61 -22.118 -7.367 6.251 1.00 0.00 O ATOM 0 H GLY A 61 -22.890 -5.707 9.803 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -22.318 -7.710 8.856 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -23.911 -7.864 8.142 1.00 0.00 H new ATOM 894 N THR A 62 -22.643 -5.275 6.900 1.00 0.00 N ATOM 895 CA THR A 62 -22.339 -4.686 5.634 1.00 0.00 C ATOM 896 C THR A 62 -21.486 -3.478 5.819 1.00 0.00 C ATOM 897 O THR A 62 -21.373 -2.946 6.922 1.00 0.00 O ATOM 898 CB THR A 62 -23.533 -4.191 4.872 1.00 0.00 C ATOM 899 OG1 THR A 62 -24.283 -3.242 5.617 1.00 0.00 O ATOM 900 CG2 THR A 62 -24.435 -5.365 4.453 1.00 0.00 C ATOM 0 H THR A 62 -22.892 -4.604 7.627 1.00 0.00 H new ATOM 0 HA THR A 62 -21.857 -5.491 5.079 1.00 0.00 H new ATOM 0 HB THR A 62 -23.159 -3.691 3.978 1.00 0.00 H new ATOM 0 HG1 THR A 62 -24.069 -3.330 6.569 1.00 0.00 H new ATOM 0 HG21 THR A 62 -25.295 -4.984 3.902 1.00 0.00 H new ATOM 0 HG22 THR A 62 -23.871 -6.049 3.819 1.00 0.00 H new ATOM 0 HG23 THR A 62 -24.779 -5.895 5.341 1.00 0.00 H new ATOM 908 N ILE A 63 -20.896 -2.997 4.710 1.00 0.00 N ATOM 909 CA ILE A 63 -20.237 -1.731 4.620 1.00 0.00 C ATOM 910 C ILE A 63 -21.225 -0.765 4.062 1.00 0.00 C ATOM 911 O ILE A 63 -21.612 -0.767 2.895 1.00 0.00 O ATOM 912 CB ILE A 63 -18.978 -1.694 3.807 1.00 0.00 C ATOM 913 CG1 ILE A 63 -18.061 -2.928 3.857 1.00 0.00 C ATOM 914 CG2 ILE A 63 -18.222 -0.388 4.102 1.00 0.00 C ATOM 915 CD1 ILE A 63 -16.970 -2.969 2.788 1.00 0.00 C ATOM 0 H ILE A 63 -20.878 -3.517 3.833 1.00 0.00 H new ATOM 0 HA ILE A 63 -19.902 -1.481 5.627 1.00 0.00 H new ATOM 0 HB ILE A 63 -19.313 -1.724 2.770 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -17.588 -2.970 4.838 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -18.676 -3.823 3.761 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -17.306 -0.357 3.513 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -18.851 0.463 3.840 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -17.973 -0.343 5.162 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -16.378 -3.876 2.907 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -17.429 -2.963 1.799 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -16.324 -2.097 2.894 1.00 0.00 H new ATOM 927 N ASP A 64 -21.749 0.039 5.004 1.00 0.00 N ATOM 928 CA ASP A 64 -22.556 1.174 4.679 1.00 0.00 C ATOM 929 C ASP A 64 -21.726 2.274 4.113 1.00 0.00 C ATOM 930 O ASP A 64 -20.498 2.235 4.164 1.00 0.00 O ATOM 931 CB ASP A 64 -23.483 1.542 5.849 1.00 0.00 C ATOM 932 CG ASP A 64 -24.234 0.373 6.471 1.00 0.00 C ATOM 933 OD1 ASP A 64 -23.570 -0.620 6.872 1.00 0.00 O ATOM 934 OD2 ASP A 64 -25.490 0.383 6.575 1.00 0.00 O ATOM 0 H ASP A 64 -21.611 -0.100 6.005 1.00 0.00 H new ATOM 0 HA ASP A 64 -23.245 0.929 3.871 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -22.889 2.026 6.624 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -24.209 2.276 5.500 1.00 0.00 H new ATOM 939 N PHE A 65 -22.283 3.371 3.567 1.00 0.00 N ATOM 940 CA PHE A 65 -21.550 4.509 3.105 1.00 0.00 C ATOM 941 C PHE A 65 -20.745 5.218 4.139 1.00 0.00 C ATOM 942 O PHE A 65 -19.624 5.592 3.796 1.00 0.00 O ATOM 943 CB PHE A 65 -22.459 5.517 2.382 1.00 0.00 C ATOM 944 CG PHE A 65 -21.736 6.618 1.686 1.00 0.00 C ATOM 945 CD1 PHE A 65 -21.096 6.544 0.471 1.00 0.00 C ATOM 946 CD2 PHE A 65 -21.868 7.904 2.154 1.00 0.00 C ATOM 947 CE1 PHE A 65 -20.464 7.613 -0.120 1.00 0.00 C ATOM 948 CE2 PHE A 65 -21.313 9.000 1.537 1.00 0.00 C ATOM 949 CZ PHE A 65 -20.582 8.889 0.378 1.00 0.00 C ATOM 0 H PHE A 65 -23.291 3.468 3.442 1.00 0.00 H new ATOM 0 HA PHE A 65 -20.831 4.080 2.407 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -23.066 4.981 1.652 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -23.145 5.953 3.108 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -21.089 5.596 -0.047 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -22.440 8.062 3.057 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -19.859 7.446 -0.999 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -21.455 9.977 1.976 1.00 0.00 H new ATOM 0 HZ PHE A 65 -20.133 9.743 -0.107 1.00 0.00 H new ATOM 959 N PRO A 66 -21.036 5.519 5.369 1.00 0.00 N ATOM 960 CA PRO A 66 -20.101 6.259 6.166 1.00 0.00 C ATOM 961 C PRO A 66 -18.865 5.527 6.562 1.00 0.00 C ATOM 962 O PRO A 66 -17.825 6.144 6.787 1.00 0.00 O ATOM 963 CB PRO A 66 -20.906 6.567 7.426 1.00 0.00 C ATOM 964 CG PRO A 66 -22.392 6.584 7.032 1.00 0.00 C ATOM 965 CD PRO A 66 -22.368 5.489 5.954 1.00 0.00 C ATOM 0 HA PRO A 66 -19.730 7.113 5.599 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -20.721 5.814 8.193 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -20.609 7.529 7.845 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -23.051 6.340 7.865 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -22.713 7.550 6.643 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -22.580 4.512 6.388 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -23.129 5.673 5.196 1.00 0.00 H new ATOM 973 N GLU A 67 -18.973 4.191 6.668 1.00 0.00 N ATOM 974 CA GLU A 67 -17.888 3.279 6.862 1.00 0.00 C ATOM 975 C GLU A 67 -17.092 3.144 5.610 1.00 0.00 C ATOM 976 O GLU A 67 -15.926 2.781 5.757 1.00 0.00 O ATOM 977 CB GLU A 67 -18.423 1.922 7.350 1.00 0.00 C ATOM 978 CG GLU A 67 -19.404 2.031 8.519 1.00 0.00 C ATOM 979 CD GLU A 67 -20.342 0.835 8.597 1.00 0.00 C ATOM 980 OE1 GLU A 67 -20.615 0.150 7.576 1.00 0.00 O ATOM 981 OE2 GLU A 67 -20.753 0.530 9.748 1.00 0.00 O ATOM 0 H GLU A 67 -19.875 3.718 6.615 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.221 3.670 7.630 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -18.916 1.416 6.520 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -17.582 1.297 7.650 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -18.847 2.115 9.452 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -19.990 2.944 8.415 1.00 0.00 H new ATOM 988 N PHE A 68 -17.623 3.474 4.419 1.00 0.00 N ATOM 989 CA PHE A 68 -16.913 3.435 3.179 1.00 0.00 C ATOM 990 C PHE A 68 -15.956 4.576 3.117 1.00 0.00 C ATOM 991 O PHE A 68 -14.786 4.420 2.773 1.00 0.00 O ATOM 992 CB PHE A 68 -17.859 3.129 2.006 1.00 0.00 C ATOM 993 CG PHE A 68 -17.063 2.895 0.768 1.00 0.00 C ATOM 994 CD1 PHE A 68 -16.497 1.675 0.484 1.00 0.00 C ATOM 995 CD2 PHE A 68 -16.902 3.946 -0.104 1.00 0.00 C ATOM 996 CE1 PHE A 68 -16.070 1.461 -0.805 1.00 0.00 C ATOM 997 CE2 PHE A 68 -16.274 3.782 -1.316 1.00 0.00 C ATOM 998 CZ PHE A 68 -16.024 2.490 -1.716 1.00 0.00 C ATOM 0 H PHE A 68 -18.590 3.782 4.316 1.00 0.00 H new ATOM 0 HA PHE A 68 -16.239 2.583 3.089 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -18.463 2.251 2.233 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -18.548 3.960 1.855 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -16.392 0.915 1.244 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -17.277 4.921 0.169 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -15.766 0.470 -1.107 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -15.990 4.628 -1.925 1.00 0.00 H new ATOM 0 HZ PHE A 68 -15.791 2.283 -2.750 1.00 0.00 H new ATOM 1008 N LEU A 69 -16.458 5.751 3.537 1.00 0.00 N ATOM 1009 CA LEU A 69 -15.719 6.956 3.755 1.00 0.00 C ATOM 1010 C LEU A 69 -14.631 6.781 4.758 1.00 0.00 C ATOM 1011 O LEU A 69 -13.501 7.127 4.417 1.00 0.00 O ATOM 1012 CB LEU A 69 -16.658 8.048 4.295 1.00 0.00 C ATOM 1013 CG LEU A 69 -17.853 8.338 3.371 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -18.628 9.594 3.804 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -17.348 8.537 1.932 1.00 0.00 C ATOM 0 H LEU A 69 -17.451 5.866 3.738 1.00 0.00 H new ATOM 0 HA LEU A 69 -15.282 7.231 2.795 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -17.030 7.745 5.274 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -16.089 8.966 4.440 1.00 0.00 H new ATOM 0 HG LEU A 69 -18.530 7.486 3.431 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -19.463 9.759 3.123 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -19.008 9.456 4.816 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -17.964 10.458 3.780 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -18.193 8.743 1.275 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -16.653 9.376 1.903 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -16.839 7.633 1.597 1.00 0.00 H new ATOM 1027 N THR A 70 -14.911 6.164 5.920 1.00 0.00 N ATOM 1028 CA THR A 70 -13.868 5.735 6.799 1.00 0.00 C ATOM 1029 C THR A 70 -12.810 4.783 6.357 1.00 0.00 C ATOM 1030 O THR A 70 -11.632 5.028 6.609 1.00 0.00 O ATOM 1031 CB THR A 70 -14.462 5.177 8.058 1.00 0.00 C ATOM 1032 OG1 THR A 70 -15.107 6.260 8.711 1.00 0.00 O ATOM 1033 CG2 THR A 70 -13.381 4.539 8.947 1.00 0.00 C ATOM 0 H THR A 70 -15.855 5.963 6.250 1.00 0.00 H new ATOM 0 HA THR A 70 -13.320 6.672 6.894 1.00 0.00 H new ATOM 0 HB THR A 70 -15.174 4.381 7.839 1.00 0.00 H new ATOM 0 HG1 THR A 70 -15.515 5.944 9.544 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.841 4.143 9.852 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.894 3.729 8.404 1.00 0.00 H new ATOM 0 HG23 THR A 70 -12.640 5.292 9.216 1.00 0.00 H new ATOM 1041 N MET A 71 -13.085 3.744 5.548 1.00 0.00 N ATOM 1042 CA MET A 71 -12.191 2.823 4.918 1.00 0.00 C ATOM 1043 C MET A 71 -11.417 3.633 3.935 1.00 0.00 C ATOM 1044 O MET A 71 -10.192 3.526 3.887 1.00 0.00 O ATOM 1045 CB MET A 71 -13.030 1.738 4.222 1.00 0.00 C ATOM 1046 CG MET A 71 -12.366 0.728 3.284 1.00 0.00 C ATOM 1047 SD MET A 71 -13.490 -0.475 2.512 1.00 0.00 S ATOM 1048 CE MET A 71 -13.148 -2.066 3.318 1.00 0.00 C ATOM 0 H MET A 71 -14.053 3.527 5.309 1.00 0.00 H new ATOM 0 HA MET A 71 -11.516 2.324 5.613 1.00 0.00 H new ATOM 0 HB2 MET A 71 -13.533 1.169 5.004 1.00 0.00 H new ATOM 0 HB3 MET A 71 -13.805 2.248 3.650 1.00 0.00 H new ATOM 0 HG2 MET A 71 -11.849 1.275 2.495 1.00 0.00 H new ATOM 0 HG3 MET A 71 -11.606 0.183 3.844 1.00 0.00 H new ATOM 0 HE1 MET A 71 -13.887 -2.801 3.000 1.00 0.00 H new ATOM 0 HE2 MET A 71 -12.152 -2.409 3.038 1.00 0.00 H new ATOM 0 HE3 MET A 71 -13.199 -1.944 4.400 1.00 0.00 H new ATOM 1058 N MET A 72 -12.100 4.490 3.156 1.00 0.00 N ATOM 1059 CA MET A 72 -11.447 5.280 2.159 1.00 0.00 C ATOM 1060 C MET A 72 -10.662 6.463 2.611 1.00 0.00 C ATOM 1061 O MET A 72 -9.843 7.013 1.876 1.00 0.00 O ATOM 1062 CB MET A 72 -12.480 5.772 1.131 1.00 0.00 C ATOM 1063 CG MET A 72 -13.096 4.622 0.332 1.00 0.00 C ATOM 1064 SD MET A 72 -11.777 3.963 -0.732 1.00 0.00 S ATOM 1065 CE MET A 72 -12.538 2.315 -0.692 1.00 0.00 C ATOM 0 H MET A 72 -13.108 4.636 3.217 1.00 0.00 H new ATOM 0 HA MET A 72 -10.708 4.590 1.751 1.00 0.00 H new ATOM 0 HB2 MET A 72 -13.270 6.318 1.646 1.00 0.00 H new ATOM 0 HB3 MET A 72 -12.003 6.473 0.446 1.00 0.00 H new ATOM 0 HG2 MET A 72 -13.479 3.849 0.998 1.00 0.00 H new ATOM 0 HG3 MET A 72 -13.937 4.973 -0.266 1.00 0.00 H new ATOM 0 HE1 MET A 72 -11.835 1.600 -0.264 1.00 0.00 H new ATOM 0 HE2 MET A 72 -13.441 2.346 -0.083 1.00 0.00 H new ATOM 0 HE3 MET A 72 -12.795 2.008 -1.706 1.00 0.00 H new ATOM 1075 N ALA A 73 -10.867 6.835 3.888 1.00 0.00 N ATOM 1076 CA ALA A 73 -10.059 7.722 4.666 1.00 0.00 C ATOM 1077 C ALA A 73 -8.934 7.031 5.357 1.00 0.00 C ATOM 1078 O ALA A 73 -7.970 7.772 5.538 1.00 0.00 O ATOM 1079 CB ALA A 73 -10.960 8.601 5.551 1.00 0.00 C ATOM 0 H ALA A 73 -11.665 6.485 4.418 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.530 8.408 4.004 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.342 9.276 6.143 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.632 9.183 4.921 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.545 7.967 6.217 1.00 0.00 H new ATOM 1234 N GLU A 83 3.063 11.572 -0.421 1.00 0.00 N ATOM 1235 CA GLU A 83 3.803 11.696 0.797 1.00 0.00 C ATOM 1236 C GLU A 83 3.590 10.553 1.728 1.00 0.00 C ATOM 1237 O GLU A 83 4.277 10.289 2.714 1.00 0.00 O ATOM 1238 CB GLU A 83 3.648 13.115 1.370 1.00 0.00 C ATOM 1239 CG GLU A 83 2.362 13.421 2.140 1.00 0.00 C ATOM 1240 CD GLU A 83 2.405 14.861 2.631 1.00 0.00 C ATOM 1241 OE1 GLU A 83 2.112 15.705 1.743 1.00 0.00 O ATOM 1242 OE2 GLU A 83 2.686 15.219 3.806 1.00 0.00 O ATOM 0 HA GLU A 83 4.869 11.600 0.592 1.00 0.00 H new ATOM 0 HB2 GLU A 83 4.492 13.306 2.033 1.00 0.00 H new ATOM 0 HB3 GLU A 83 3.724 13.823 0.545 1.00 0.00 H new ATOM 0 HG2 GLU A 83 1.494 13.269 1.498 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.258 12.739 2.984 1.00 0.00 H new ATOM 1249 N GLU A 84 2.589 9.687 1.490 1.00 0.00 N ATOM 1250 CA GLU A 84 2.488 8.390 2.083 1.00 0.00 C ATOM 1251 C GLU A 84 3.361 7.293 1.581 1.00 0.00 C ATOM 1252 O GLU A 84 4.032 6.531 2.275 1.00 0.00 O ATOM 1253 CB GLU A 84 1.044 7.868 2.177 1.00 0.00 C ATOM 1254 CG GLU A 84 0.476 8.192 3.560 1.00 0.00 C ATOM 1255 CD GLU A 84 0.879 7.111 4.552 1.00 0.00 C ATOM 1256 OE1 GLU A 84 0.777 5.893 4.245 1.00 0.00 O ATOM 1257 OE2 GLU A 84 1.358 7.510 5.647 1.00 0.00 O ATOM 0 H GLU A 84 1.818 9.900 0.858 1.00 0.00 H new ATOM 0 HA GLU A 84 2.890 8.631 3.067 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.429 8.326 1.403 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.023 6.792 2.006 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.844 9.161 3.896 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.610 8.264 3.509 1.00 0.00 H new ATOM 1264 N ILE A 85 3.379 7.164 0.242 1.00 0.00 N ATOM 1265 CA ILE A 85 4.283 6.244 -0.374 1.00 0.00 C ATOM 1266 C ILE A 85 5.720 6.620 -0.253 1.00 0.00 C ATOM 1267 O ILE A 85 6.572 5.733 -0.289 1.00 0.00 O ATOM 1268 CB ILE A 85 3.838 5.813 -1.740 1.00 0.00 C ATOM 1269 CG1 ILE A 85 4.068 6.795 -2.902 1.00 0.00 C ATOM 1270 CG2 ILE A 85 2.380 5.405 -1.470 1.00 0.00 C ATOM 1271 CD1 ILE A 85 3.295 6.430 -4.168 1.00 0.00 C ATOM 0 H ILE A 85 2.782 7.684 -0.401 1.00 0.00 H new ATOM 0 HA ILE A 85 4.230 5.333 0.222 1.00 0.00 H new ATOM 0 HB ILE A 85 4.451 5.007 -2.144 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.778 7.796 -2.584 1.00 0.00 H new ATOM 0 HG13 ILE A 85 5.133 6.830 -3.133 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.920 5.062 -2.397 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.357 4.601 -0.735 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.827 6.263 -1.087 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.504 7.164 -4.946 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.602 5.442 -4.510 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.227 6.423 -3.953 1.00 0.00 H new ATOM 1283 N ARG A 86 6.026 7.928 -0.184 1.00 0.00 N ATOM 1284 CA ARG A 86 7.351 8.422 0.029 1.00 0.00 C ATOM 1285 C ARG A 86 7.746 8.229 1.453 1.00 0.00 C ATOM 1286 O ARG A 86 8.953 8.177 1.683 1.00 0.00 O ATOM 1287 CB ARG A 86 7.250 9.905 -0.367 1.00 0.00 C ATOM 1288 CG ARG A 86 8.553 10.686 -0.550 1.00 0.00 C ATOM 1289 CD ARG A 86 8.253 12.008 -1.260 1.00 0.00 C ATOM 1290 NE ARG A 86 9.580 12.552 -1.663 1.00 0.00 N ATOM 1291 CZ ARG A 86 9.726 13.635 -2.481 1.00 0.00 C ATOM 1292 NH1 ARG A 86 8.728 14.558 -2.609 1.00 0.00 N ATOM 1293 NH2 ARG A 86 10.903 13.723 -3.166 1.00 0.00 N ATOM 0 H ARG A 86 5.328 8.666 -0.280 1.00 0.00 H new ATOM 0 HA ARG A 86 8.117 7.906 -0.550 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.690 9.965 -1.300 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.658 10.415 0.393 1.00 0.00 H new ATOM 0 HG2 ARG A 86 9.016 10.877 0.418 1.00 0.00 H new ATOM 0 HG3 ARG A 86 9.263 10.100 -1.133 1.00 0.00 H new ATOM 0 HD2 ARG A 86 7.613 11.851 -2.128 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.730 12.699 -0.599 1.00 0.00 H new ATOM 0 HE ARG A 86 10.420 12.093 -1.311 1.00 0.00 H new ATOM 0 HH11 ARG A 86 7.858 14.444 -2.089 1.00 0.00 H new ATOM 0 HH12 ARG A 86 8.853 15.362 -3.224 1.00 0.00 H new ATOM 0 HH21 ARG A 86 11.615 13.002 -3.051 1.00 0.00 H new ATOM 0 HH22 ARG A 86 11.071 14.510 -3.793 1.00 0.00 H new ATOM 1307 N GLU A 87 6.832 8.200 2.440 1.00 0.00 N ATOM 1308 CA GLU A 87 7.088 7.729 3.766 1.00 0.00 C ATOM 1309 C GLU A 87 7.226 6.245 3.750 1.00 0.00 C ATOM 1310 O GLU A 87 8.236 5.669 4.153 1.00 0.00 O ATOM 1311 CB GLU A 87 6.099 8.235 4.829 1.00 0.00 C ATOM 1312 CG GLU A 87 6.139 7.658 6.246 1.00 0.00 C ATOM 1313 CD GLU A 87 7.251 8.174 7.148 1.00 0.00 C ATOM 1314 OE1 GLU A 87 8.263 8.740 6.657 1.00 0.00 O ATOM 1315 OE2 GLU A 87 7.138 7.922 8.378 1.00 0.00 O ATOM 0 H GLU A 87 5.872 8.519 2.308 1.00 0.00 H new ATOM 0 HA GLU A 87 8.034 8.166 4.086 1.00 0.00 H new ATOM 0 HB2 GLU A 87 6.237 9.313 4.914 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.094 8.072 4.441 1.00 0.00 H new ATOM 0 HG2 GLU A 87 5.183 7.864 6.728 1.00 0.00 H new ATOM 0 HG3 GLU A 87 6.232 6.574 6.173 1.00 0.00 H new ATOM 1322 N ALA A 88 6.288 5.443 3.216 1.00 0.00 N ATOM 1323 CA ALA A 88 6.356 4.020 3.330 1.00 0.00 C ATOM 1324 C ALA A 88 7.443 3.270 2.640 1.00 0.00 C ATOM 1325 O ALA A 88 7.904 2.315 3.263 1.00 0.00 O ATOM 1326 CB ALA A 88 4.949 3.460 3.064 1.00 0.00 C ATOM 0 H ALA A 88 5.476 5.784 2.701 1.00 0.00 H new ATOM 0 HA ALA A 88 6.689 3.837 4.352 1.00 0.00 H new ATOM 0 HB1 ALA A 88 4.969 2.373 3.144 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.252 3.865 3.797 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.628 3.744 2.062 1.00 0.00 H new ATOM 1332 N PHE A 89 7.958 3.717 1.481 1.00 0.00 N ATOM 1333 CA PHE A 89 9.158 3.269 0.846 1.00 0.00 C ATOM 1334 C PHE A 89 10.285 3.141 1.813 1.00 0.00 C ATOM 1335 O PHE A 89 10.923 2.118 2.059 1.00 0.00 O ATOM 1336 CB PHE A 89 9.505 4.261 -0.277 1.00 0.00 C ATOM 1337 CG PHE A 89 10.589 3.657 -1.103 1.00 0.00 C ATOM 1338 CD1 PHE A 89 10.355 2.616 -1.970 1.00 0.00 C ATOM 1339 CD2 PHE A 89 11.872 4.141 -1.003 1.00 0.00 C ATOM 1340 CE1 PHE A 89 11.347 2.198 -2.824 1.00 0.00 C ATOM 1341 CE2 PHE A 89 12.893 3.699 -1.809 1.00 0.00 C ATOM 1342 CZ PHE A 89 12.600 2.760 -2.771 1.00 0.00 C ATOM 0 H PHE A 89 7.496 4.452 0.946 1.00 0.00 H new ATOM 0 HA PHE A 89 8.996 2.274 0.432 1.00 0.00 H new ATOM 0 HB2 PHE A 89 8.627 4.466 -0.890 1.00 0.00 H new ATOM 0 HB3 PHE A 89 9.830 5.213 0.142 1.00 0.00 H new ATOM 0 HD1 PHE A 89 9.392 2.127 -1.980 1.00 0.00 H new ATOM 0 HD2 PHE A 89 12.085 4.898 -0.262 1.00 0.00 H new ATOM 0 HE1 PHE A 89 11.140 1.420 -3.544 1.00 0.00 H new ATOM 0 HE2 PHE A 89 13.897 4.078 -1.691 1.00 0.00 H new ATOM 0 HZ PHE A 89 13.355 2.465 -3.485 1.00 0.00 H new ATOM 1352 N ARG A 90 10.609 4.274 2.461 1.00 0.00 N ATOM 1353 CA ARG A 90 11.697 4.405 3.379 1.00 0.00 C ATOM 1354 C ARG A 90 11.476 3.609 4.619 1.00 0.00 C ATOM 1355 O ARG A 90 12.429 3.095 5.202 1.00 0.00 O ATOM 1356 CB ARG A 90 11.875 5.906 3.665 1.00 0.00 C ATOM 1357 CG ARG A 90 13.007 6.202 4.650 1.00 0.00 C ATOM 1358 CD ARG A 90 13.274 7.707 4.581 1.00 0.00 C ATOM 1359 NE ARG A 90 12.104 8.371 5.222 1.00 0.00 N ATOM 1360 CZ ARG A 90 11.671 9.595 4.802 1.00 0.00 C ATOM 1361 NH1 ARG A 90 12.523 10.468 4.189 1.00 0.00 N ATOM 1362 NH2 ARG A 90 10.437 10.087 5.114 1.00 0.00 N ATOM 0 H ARG A 90 10.086 5.141 2.338 1.00 0.00 H new ATOM 0 HA ARG A 90 12.612 4.002 2.945 1.00 0.00 H new ATOM 0 HB2 ARG A 90 12.072 6.427 2.728 1.00 0.00 H new ATOM 0 HB3 ARG A 90 10.942 6.307 4.062 1.00 0.00 H new ATOM 0 HG2 ARG A 90 12.727 5.905 5.661 1.00 0.00 H new ATOM 0 HG3 ARG A 90 13.903 5.639 4.389 1.00 0.00 H new ATOM 0 HD2 ARG A 90 14.198 7.962 5.100 1.00 0.00 H new ATOM 0 HD3 ARG A 90 13.388 8.034 3.548 1.00 0.00 H new ATOM 0 HE ARG A 90 11.619 7.903 5.987 1.00 0.00 H new ATOM 0 HH11 ARG A 90 13.498 10.209 4.039 1.00 0.00 H new ATOM 0 HH12 ARG A 90 12.184 11.379 3.881 1.00 0.00 H new ATOM 0 HH21 ARG A 90 9.796 9.534 5.683 1.00 0.00 H new ATOM 0 HH22 ARG A 90 10.155 11.008 4.778 1.00 0.00 H new ATOM 1376 N VAL A 91 10.225 3.486 5.096 1.00 0.00 N ATOM 1377 CA VAL A 91 9.823 2.691 6.215 1.00 0.00 C ATOM 1378 C VAL A 91 10.113 1.264 5.902 1.00 0.00 C ATOM 1379 O VAL A 91 10.727 0.586 6.725 1.00 0.00 O ATOM 1380 CB VAL A 91 8.367 2.800 6.557 1.00 0.00 C ATOM 1381 CG1 VAL A 91 7.768 1.780 7.540 1.00 0.00 C ATOM 1382 CG2 VAL A 91 8.292 4.206 7.176 1.00 0.00 C ATOM 0 H VAL A 91 9.439 3.977 4.669 1.00 0.00 H new ATOM 0 HA VAL A 91 10.380 3.062 7.075 1.00 0.00 H new ATOM 0 HB VAL A 91 7.780 2.603 5.660 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.709 1.992 7.684 1.00 0.00 H new ATOM 0 HG12 VAL A 91 7.885 0.774 7.137 1.00 0.00 H new ATOM 0 HG13 VAL A 91 8.285 1.850 8.497 1.00 0.00 H new ATOM 0 HG21 VAL A 91 7.265 4.418 7.475 1.00 0.00 H new ATOM 0 HG22 VAL A 91 8.942 4.254 8.050 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.616 4.944 6.442 1.00 0.00 H new ATOM 1392 N PHE A 92 9.787 0.774 4.693 1.00 0.00 N ATOM 1393 CA PHE A 92 10.019 -0.556 4.221 1.00 0.00 C ATOM 1394 C PHE A 92 11.435 -0.897 3.905 1.00 0.00 C ATOM 1395 O PHE A 92 11.904 -1.994 4.205 1.00 0.00 O ATOM 1396 CB PHE A 92 9.240 -0.713 2.905 1.00 0.00 C ATOM 1397 CG PHE A 92 7.751 -0.692 2.966 1.00 0.00 C ATOM 1398 CD1 PHE A 92 7.027 -0.550 4.126 1.00 0.00 C ATOM 1399 CD2 PHE A 92 7.114 -0.898 1.765 1.00 0.00 C ATOM 1400 CE1 PHE A 92 5.660 -0.676 4.047 1.00 0.00 C ATOM 1401 CE2 PHE A 92 5.763 -1.146 1.701 1.00 0.00 C ATOM 1402 CZ PHE A 92 5.057 -1.082 2.879 1.00 0.00 C ATOM 0 H PHE A 92 9.325 1.354 3.992 1.00 0.00 H new ATOM 0 HA PHE A 92 9.710 -1.215 5.033 1.00 0.00 H new ATOM 0 HB2 PHE A 92 9.558 0.083 2.232 1.00 0.00 H new ATOM 0 HB3 PHE A 92 9.542 -1.656 2.449 1.00 0.00 H new ATOM 0 HD1 PHE A 92 7.515 -0.346 5.068 1.00 0.00 H new ATOM 0 HD2 PHE A 92 7.688 -0.864 0.851 1.00 0.00 H new ATOM 0 HE1 PHE A 92 5.053 -0.454 4.912 1.00 0.00 H new ATOM 0 HE2 PHE A 92 5.277 -1.381 0.765 1.00 0.00 H new ATOM 0 HZ PHE A 92 4.012 -1.355 2.888 1.00 0.00 H new ATOM 1412 N ASP A 93 12.167 0.054 3.298 1.00 0.00 N ATOM 1413 CA ASP A 93 13.572 -0.028 3.049 1.00 0.00 C ATOM 1414 C ASP A 93 14.416 0.343 4.220 1.00 0.00 C ATOM 1415 O ASP A 93 14.514 1.511 4.591 1.00 0.00 O ATOM 1416 CB ASP A 93 14.112 0.689 1.800 1.00 0.00 C ATOM 1417 CG ASP A 93 15.272 -0.139 1.265 1.00 0.00 C ATOM 1418 OD1 ASP A 93 15.193 -1.394 1.345 1.00 0.00 O ATOM 1419 OD2 ASP A 93 16.353 0.425 0.949 1.00 0.00 O ATOM 0 H ASP A 93 11.756 0.926 2.964 1.00 0.00 H new ATOM 0 HA ASP A 93 13.663 -1.095 2.845 1.00 0.00 H new ATOM 0 HB2 ASP A 93 13.331 0.787 1.046 1.00 0.00 H new ATOM 0 HB3 ASP A 93 14.443 1.697 2.049 1.00 0.00 H new ATOM 1424 N LYS A 94 14.914 -0.620 5.016 1.00 0.00 N ATOM 1425 CA LYS A 94 15.488 -0.496 6.320 1.00 0.00 C ATOM 1426 C LYS A 94 16.846 0.117 6.350 1.00 0.00 C ATOM 1427 O LYS A 94 17.122 1.121 7.004 1.00 0.00 O ATOM 1428 CB LYS A 94 15.482 -1.719 7.252 1.00 0.00 C ATOM 1429 CG LYS A 94 14.170 -2.493 7.391 1.00 0.00 C ATOM 1430 CD LYS A 94 13.056 -1.669 8.039 1.00 0.00 C ATOM 1431 CE LYS A 94 11.657 -2.289 8.079 1.00 0.00 C ATOM 1432 NZ LYS A 94 10.700 -1.520 8.907 1.00 0.00 N ATOM 0 H LYS A 94 14.913 -1.593 4.708 1.00 0.00 H new ATOM 0 HA LYS A 94 14.750 0.190 6.736 1.00 0.00 H new ATOM 0 HB2 LYS A 94 16.247 -2.413 6.902 1.00 0.00 H new ATOM 0 HB3 LYS A 94 15.784 -1.387 8.245 1.00 0.00 H new ATOM 0 HG2 LYS A 94 13.843 -2.824 6.405 1.00 0.00 H new ATOM 0 HG3 LYS A 94 14.345 -3.389 7.986 1.00 0.00 H new ATOM 0 HD2 LYS A 94 13.355 -1.444 9.063 1.00 0.00 H new ATOM 0 HD3 LYS A 94 12.989 -0.718 7.510 1.00 0.00 H new ATOM 0 HE2 LYS A 94 11.270 -2.362 7.063 1.00 0.00 H new ATOM 0 HE3 LYS A 94 11.728 -3.305 8.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 9.835 -2.079 9.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 11.130 -1.310 9.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.462 -0.629 8.426 1.00 0.00 H new ATOM 1446 N ASP A 95 17.700 -0.405 5.453 1.00 0.00 N ATOM 1447 CA ASP A 95 19.070 -0.095 5.185 1.00 0.00 C ATOM 1448 C ASP A 95 19.138 1.301 4.668 1.00 0.00 C ATOM 1449 O ASP A 95 19.822 2.139 5.254 1.00 0.00 O ATOM 1450 CB ASP A 95 19.657 -1.207 4.299 1.00 0.00 C ATOM 1451 CG ASP A 95 19.069 -1.369 2.904 1.00 0.00 C ATOM 1452 OD1 ASP A 95 17.901 -0.939 2.712 1.00 0.00 O ATOM 1453 OD2 ASP A 95 19.739 -2.003 2.046 1.00 0.00 O ATOM 0 H ASP A 95 17.380 -1.148 4.832 1.00 0.00 H new ATOM 0 HA ASP A 95 19.708 -0.091 6.069 1.00 0.00 H new ATOM 0 HB2 ASP A 95 20.727 -1.027 4.196 1.00 0.00 H new ATOM 0 HB3 ASP A 95 19.543 -2.154 4.826 1.00 0.00 H new ATOM 1458 N GLY A 96 18.388 1.644 3.605 1.00 0.00 N ATOM 1459 CA GLY A 96 18.165 2.975 3.131 1.00 0.00 C ATOM 1460 C GLY A 96 19.091 3.285 2.006 1.00 0.00 C ATOM 1461 O GLY A 96 19.567 4.420 2.024 1.00 0.00 O ATOM 0 H GLY A 96 17.906 0.945 3.040 1.00 0.00 H new ATOM 0 HA2 GLY A 96 17.132 3.082 2.801 1.00 0.00 H new ATOM 0 HA3 GLY A 96 18.316 3.687 3.942 1.00 0.00 H new ATOM 1465 N ASN A 97 19.352 2.434 0.998 1.00 0.00 N ATOM 1466 CA ASN A 97 20.297 2.662 -0.052 1.00 0.00 C ATOM 1467 C ASN A 97 19.714 3.494 -1.142 1.00 0.00 C ATOM 1468 O ASN A 97 20.320 4.261 -1.888 1.00 0.00 O ATOM 1469 CB ASN A 97 21.137 1.438 -0.454 1.00 0.00 C ATOM 1470 CG ASN A 97 20.313 0.254 -0.940 1.00 0.00 C ATOM 1471 OD1 ASN A 97 19.366 -0.136 -0.259 1.00 0.00 O ATOM 1472 ND2 ASN A 97 20.713 -0.346 -2.093 1.00 0.00 N ATOM 0 H ASN A 97 18.877 1.536 0.911 1.00 0.00 H new ATOM 0 HA ASN A 97 21.092 3.286 0.356 1.00 0.00 H new ATOM 0 HB2 ASN A 97 21.833 1.730 -1.240 1.00 0.00 H new ATOM 0 HB3 ASN A 97 21.736 1.124 0.401 1.00 0.00 H new ATOM 0 HD21 ASN A 97 20.218 -1.169 -2.438 1.00 0.00 H new ATOM 0 HD22 ASN A 97 21.507 0.027 -2.613 1.00 0.00 H new ATOM 1479 N GLY A 98 18.406 3.319 -1.405 1.00 0.00 N ATOM 1480 CA GLY A 98 17.797 3.870 -2.575 1.00 0.00 C ATOM 1481 C GLY A 98 16.712 2.982 -3.079 1.00 0.00 C ATOM 1482 O GLY A 98 15.826 3.422 -3.810 1.00 0.00 O ATOM 0 H GLY A 98 17.769 2.794 -0.805 1.00 0.00 H new ATOM 0 HA2 GLY A 98 17.390 4.855 -2.348 1.00 0.00 H new ATOM 0 HA3 GLY A 98 18.550 4.007 -3.351 1.00 0.00 H new ATOM 1486 N TYR A 99 16.744 1.667 -2.798 1.00 0.00 N ATOM 1487 CA TYR A 99 15.971 0.598 -3.348 1.00 0.00 C ATOM 1488 C TYR A 99 15.498 -0.412 -2.361 1.00 0.00 C ATOM 1489 O TYR A 99 16.238 -0.780 -1.450 1.00 0.00 O ATOM 1490 CB TYR A 99 16.756 -0.157 -4.434 1.00 0.00 C ATOM 1491 CG TYR A 99 17.354 0.606 -5.566 1.00 0.00 C ATOM 1492 CD1 TYR A 99 18.416 1.439 -5.302 1.00 0.00 C ATOM 1493 CD2 TYR A 99 16.858 0.485 -6.843 1.00 0.00 C ATOM 1494 CE1 TYR A 99 19.047 2.125 -6.313 1.00 0.00 C ATOM 1495 CE2 TYR A 99 17.578 1.047 -7.870 1.00 0.00 C ATOM 1496 CZ TYR A 99 18.647 1.870 -7.604 1.00 0.00 C ATOM 1497 OH TYR A 99 19.125 2.528 -8.756 1.00 0.00 O ATOM 0 H TYR A 99 17.395 1.314 -2.097 1.00 0.00 H new ATOM 0 HA TYR A 99 15.094 1.101 -3.756 1.00 0.00 H new ATOM 0 HB2 TYR A 99 17.564 -0.696 -3.939 1.00 0.00 H new ATOM 0 HB3 TYR A 99 16.088 -0.906 -4.860 1.00 0.00 H new ATOM 0 HD1 TYR A 99 18.760 1.556 -4.285 1.00 0.00 H new ATOM 0 HD2 TYR A 99 15.931 -0.036 -7.033 1.00 0.00 H new ATOM 0 HE1 TYR A 99 19.829 2.839 -6.101 1.00 0.00 H new ATOM 0 HE2 TYR A 99 17.302 0.841 -8.894 1.00 0.00 H new ATOM 0 HH TYR A 99 18.682 2.161 -9.550 1.00 0.00 H new ATOM 1507 N ILE A 100 14.296 -0.979 -2.567 1.00 0.00 N ATOM 1508 CA ILE A 100 13.953 -2.181 -1.871 1.00 0.00 C ATOM 1509 C ILE A 100 14.390 -3.272 -2.788 1.00 0.00 C ATOM 1510 O ILE A 100 13.843 -3.379 -3.884 1.00 0.00 O ATOM 1511 CB ILE A 100 12.466 -2.263 -1.691 1.00 0.00 C ATOM 1512 CG1 ILE A 100 11.713 -0.942 -1.461 1.00 0.00 C ATOM 1513 CG2 ILE A 100 12.425 -3.253 -0.515 1.00 0.00 C ATOM 1514 CD1 ILE A 100 10.203 -1.072 -1.657 1.00 0.00 C ATOM 0 H ILE A 100 13.579 -0.619 -3.197 1.00 0.00 H new ATOM 0 HA ILE A 100 14.414 -2.235 -0.885 1.00 0.00 H new ATOM 0 HB ILE A 100 11.929 -2.568 -2.589 1.00 0.00 H new ATOM 0 HG12 ILE A 100 11.913 -0.588 -0.450 1.00 0.00 H new ATOM 0 HG13 ILE A 100 12.099 -0.187 -2.146 1.00 0.00 H new ATOM 0 HG21 ILE A 100 11.389 -3.441 -0.234 1.00 0.00 H new ATOM 0 HG22 ILE A 100 12.897 -4.190 -0.811 1.00 0.00 H new ATOM 0 HG23 ILE A 100 12.960 -2.830 0.335 1.00 0.00 H new ATOM 0 HD11 ILE A 100 9.729 -0.107 -1.481 1.00 0.00 H new ATOM 0 HD12 ILE A 100 9.995 -1.398 -2.676 1.00 0.00 H new ATOM 0 HD13 ILE A 100 9.807 -1.805 -0.954 1.00 0.00 H new ATOM 1526 N SER A 101 15.423 -4.109 -2.589 1.00 0.00 N ATOM 1527 CA SER A 101 15.708 -5.217 -3.447 1.00 0.00 C ATOM 1528 C SER A 101 14.585 -6.193 -3.361 1.00 0.00 C ATOM 1529 O SER A 101 13.790 -6.310 -2.430 1.00 0.00 O ATOM 1530 CB SER A 101 17.040 -5.892 -3.079 1.00 0.00 C ATOM 1531 OG SER A 101 16.993 -6.386 -1.748 1.00 0.00 O ATOM 0 H SER A 101 16.077 -4.013 -1.812 1.00 0.00 H new ATOM 0 HA SER A 101 15.807 -4.853 -4.470 1.00 0.00 H new ATOM 0 HB2 SER A 101 17.244 -6.710 -3.770 1.00 0.00 H new ATOM 0 HB3 SER A 101 17.857 -5.178 -3.180 1.00 0.00 H new ATOM 0 HG SER A 101 17.846 -6.814 -1.528 1.00 0.00 H new ATOM 1537 N ALA A 102 14.435 -7.103 -4.340 1.00 0.00 N ATOM 1538 CA ALA A 102 13.383 -8.070 -4.279 1.00 0.00 C ATOM 1539 C ALA A 102 13.399 -9.006 -3.120 1.00 0.00 C ATOM 1540 O ALA A 102 12.412 -9.616 -2.711 1.00 0.00 O ATOM 1541 CB ALA A 102 13.245 -8.802 -5.625 1.00 0.00 C ATOM 0 H ALA A 102 15.033 -7.170 -5.163 1.00 0.00 H new ATOM 0 HA ALA A 102 12.484 -7.484 -4.088 1.00 0.00 H new ATOM 0 HB1 ALA A 102 12.440 -9.534 -5.560 1.00 0.00 H new ATOM 0 HB2 ALA A 102 13.017 -8.081 -6.410 1.00 0.00 H new ATOM 0 HB3 ALA A 102 14.180 -9.311 -5.860 1.00 0.00 H new ATOM 1547 N ALA A 103 14.591 -9.226 -2.536 1.00 0.00 N ATOM 1548 CA ALA A 103 14.907 -9.980 -1.363 1.00 0.00 C ATOM 1549 C ALA A 103 14.211 -9.359 -0.200 1.00 0.00 C ATOM 1550 O ALA A 103 13.510 -10.003 0.578 1.00 0.00 O ATOM 1551 CB ALA A 103 16.414 -9.876 -1.072 1.00 0.00 C ATOM 0 H ALA A 103 15.436 -8.822 -2.941 1.00 0.00 H new ATOM 0 HA ALA A 103 14.608 -11.017 -1.516 1.00 0.00 H new ATOM 0 HB1 ALA A 103 16.652 -10.451 -0.178 1.00 0.00 H new ATOM 0 HB2 ALA A 103 16.976 -10.271 -1.918 1.00 0.00 H new ATOM 0 HB3 ALA A 103 16.683 -8.832 -0.914 1.00 0.00 H new ATOM 1557 N GLU A 104 14.446 -8.040 -0.080 1.00 0.00 N ATOM 1558 CA GLU A 104 13.763 -7.199 0.854 1.00 0.00 C ATOM 1559 C GLU A 104 12.304 -7.041 0.597 1.00 0.00 C ATOM 1560 O GLU A 104 11.446 -7.104 1.476 1.00 0.00 O ATOM 1561 CB GLU A 104 14.412 -5.807 0.938 1.00 0.00 C ATOM 1562 CG GLU A 104 15.890 -5.732 1.329 1.00 0.00 C ATOM 1563 CD GLU A 104 16.525 -4.369 1.099 1.00 0.00 C ATOM 1564 OE1 GLU A 104 16.285 -3.782 0.011 1.00 0.00 O ATOM 1565 OE2 GLU A 104 17.252 -3.848 1.988 1.00 0.00 O ATOM 0 H GLU A 104 15.131 -7.544 -0.649 1.00 0.00 H new ATOM 0 HA GLU A 104 13.862 -7.721 1.806 1.00 0.00 H new ATOM 0 HB2 GLU A 104 14.297 -5.325 -0.033 1.00 0.00 H new ATOM 0 HB3 GLU A 104 13.845 -5.216 1.657 1.00 0.00 H new ATOM 0 HG2 GLU A 104 15.990 -5.994 2.382 1.00 0.00 H new ATOM 0 HG3 GLU A 104 16.444 -6.479 0.761 1.00 0.00 H new ATOM 1572 N LEU A 105 11.887 -6.981 -0.681 1.00 0.00 N ATOM 1573 CA LEU A 105 10.526 -6.753 -1.056 1.00 0.00 C ATOM 1574 C LEU A 105 9.710 -7.990 -0.901 1.00 0.00 C ATOM 1575 O LEU A 105 8.552 -7.812 -0.526 1.00 0.00 O ATOM 1576 CB LEU A 105 10.315 -6.091 -2.428 1.00 0.00 C ATOM 1577 CG LEU A 105 8.928 -5.497 -2.727 1.00 0.00 C ATOM 1578 CD1 LEU A 105 9.061 -4.085 -3.322 1.00 0.00 C ATOM 1579 CD2 LEU A 105 8.058 -6.362 -3.655 1.00 0.00 C ATOM 0 H LEU A 105 12.515 -7.094 -1.476 1.00 0.00 H new ATOM 0 HA LEU A 105 10.168 -6.003 -0.351 1.00 0.00 H new ATOM 0 HB2 LEU A 105 11.051 -5.294 -2.533 1.00 0.00 H new ATOM 0 HB3 LEU A 105 10.536 -6.832 -3.196 1.00 0.00 H new ATOM 0 HG LEU A 105 8.417 -5.460 -1.765 1.00 0.00 H new ATOM 0 HD11 LEU A 105 8.069 -3.682 -3.527 1.00 0.00 H new ATOM 0 HD12 LEU A 105 9.576 -3.438 -2.612 1.00 0.00 H new ATOM 0 HD13 LEU A 105 9.632 -4.133 -4.249 1.00 0.00 H new ATOM 0 HD21 LEU A 105 7.098 -5.872 -3.815 1.00 0.00 H new ATOM 0 HD22 LEU A 105 8.563 -6.491 -4.612 1.00 0.00 H new ATOM 0 HD23 LEU A 105 7.896 -7.337 -3.197 1.00 0.00 H new ATOM 1591 N ARG A 106 10.286 -9.201 -1.001 1.00 0.00 N ATOM 1592 CA ARG A 106 9.639 -10.400 -0.567 1.00 0.00 C ATOM 1593 C ARG A 106 9.401 -10.503 0.900 1.00 0.00 C ATOM 1594 O ARG A 106 8.320 -10.948 1.283 1.00 0.00 O ATOM 1595 CB ARG A 106 10.208 -11.687 -1.189 1.00 0.00 C ATOM 1596 CG ARG A 106 11.086 -12.646 -0.382 1.00 0.00 C ATOM 1597 CD ARG A 106 11.778 -13.784 -1.135 1.00 0.00 C ATOM 1598 NE ARG A 106 10.761 -14.789 -1.555 1.00 0.00 N ATOM 1599 CZ ARG A 106 10.198 -14.935 -2.790 1.00 0.00 C ATOM 1600 NH1 ARG A 106 10.651 -14.327 -3.925 1.00 0.00 N ATOM 1601 NH2 ARG A 106 9.083 -15.719 -2.862 1.00 0.00 N ATOM 0 H ARG A 106 11.217 -9.350 -1.390 1.00 0.00 H new ATOM 0 HA ARG A 106 8.638 -10.299 -0.986 1.00 0.00 H new ATOM 0 HB2 ARG A 106 9.359 -12.265 -1.552 1.00 0.00 H new ATOM 0 HB3 ARG A 106 10.787 -11.387 -2.063 1.00 0.00 H new ATOM 0 HG2 ARG A 106 11.856 -12.057 0.116 1.00 0.00 H new ATOM 0 HG3 ARG A 106 10.468 -13.088 0.400 1.00 0.00 H new ATOM 0 HD2 ARG A 106 12.301 -13.393 -2.008 1.00 0.00 H new ATOM 0 HD3 ARG A 106 12.528 -14.253 -0.498 1.00 0.00 H new ATOM 0 HE ARG A 106 10.450 -15.443 -0.837 1.00 0.00 H new ATOM 0 HH11 ARG A 106 11.465 -13.714 -3.885 1.00 0.00 H new ATOM 0 HH12 ARG A 106 10.176 -14.486 -4.813 1.00 0.00 H new ATOM 0 HH21 ARG A 106 8.714 -16.159 -2.019 1.00 0.00 H new ATOM 0 HH22 ARG A 106 8.619 -15.865 -3.759 1.00 0.00 H new ATOM 1615 N HIS A 107 10.319 -10.073 1.784 1.00 0.00 N ATOM 1616 CA HIS A 107 10.096 -10.021 3.196 1.00 0.00 C ATOM 1617 C HIS A 107 9.057 -9.034 3.603 1.00 0.00 C ATOM 1618 O HIS A 107 8.139 -9.255 4.390 1.00 0.00 O ATOM 1619 CB HIS A 107 11.471 -9.650 3.776 1.00 0.00 C ATOM 1620 CG HIS A 107 11.672 -9.641 5.263 1.00 0.00 C ATOM 1621 ND1 HIS A 107 11.453 -10.763 6.036 1.00 0.00 N ATOM 1622 CD2 HIS A 107 11.987 -8.662 6.152 1.00 0.00 C ATOM 1623 CE1 HIS A 107 11.628 -10.403 7.335 1.00 0.00 C ATOM 1624 NE2 HIS A 107 11.983 -9.137 7.448 1.00 0.00 N ATOM 0 H HIS A 107 11.246 -9.751 1.507 1.00 0.00 H new ATOM 0 HA HIS A 107 9.710 -10.971 3.565 1.00 0.00 H new ATOM 0 HB2 HIS A 107 12.200 -10.341 3.353 1.00 0.00 H new ATOM 0 HB3 HIS A 107 11.723 -8.656 3.407 1.00 0.00 H new ATOM 0 HD2 HIS A 107 12.212 -7.642 5.879 1.00 0.00 H new ATOM 0 HE1 HIS A 107 11.493 -11.071 8.172 1.00 0.00 H new ATOM 0 HE2 HIS A 107 12.205 -8.624 8.302 1.00 0.00 H new ATOM 1632 N VAL A 108 9.147 -7.846 2.978 1.00 0.00 N ATOM 1633 CA VAL A 108 8.375 -6.706 3.366 1.00 0.00 C ATOM 1634 C VAL A 108 6.974 -6.934 2.911 1.00 0.00 C ATOM 1635 O VAL A 108 5.981 -6.668 3.587 1.00 0.00 O ATOM 1636 CB VAL A 108 8.881 -5.446 2.730 1.00 0.00 C ATOM 1637 CG1 VAL A 108 7.820 -4.343 2.580 1.00 0.00 C ATOM 1638 CG2 VAL A 108 10.063 -5.029 3.622 1.00 0.00 C ATOM 0 H VAL A 108 9.768 -7.674 2.188 1.00 0.00 H new ATOM 0 HA VAL A 108 8.443 -6.588 4.447 1.00 0.00 H new ATOM 0 HB VAL A 108 9.177 -5.615 1.695 1.00 0.00 H new ATOM 0 HG11 VAL A 108 8.269 -3.467 2.112 1.00 0.00 H new ATOM 0 HG12 VAL A 108 7.002 -4.707 1.959 1.00 0.00 H new ATOM 0 HG13 VAL A 108 7.436 -4.072 3.563 1.00 0.00 H new ATOM 0 HG21 VAL A 108 10.504 -4.110 3.236 1.00 0.00 H new ATOM 0 HG22 VAL A 108 9.710 -4.862 4.640 1.00 0.00 H new ATOM 0 HG23 VAL A 108 10.814 -5.819 3.623 1.00 0.00 H new ATOM 1648 N MET A 109 6.768 -7.534 1.725 1.00 0.00 N ATOM 1649 CA MET A 109 5.466 -7.819 1.208 1.00 0.00 C ATOM 1650 C MET A 109 4.798 -8.937 1.932 1.00 0.00 C ATOM 1651 O MET A 109 3.587 -8.914 2.146 1.00 0.00 O ATOM 1652 CB MET A 109 5.256 -7.938 -0.311 1.00 0.00 C ATOM 1653 CG MET A 109 5.617 -6.633 -1.025 1.00 0.00 C ATOM 1654 SD MET A 109 4.828 -5.114 -0.415 1.00 0.00 S ATOM 1655 CE MET A 109 6.101 -3.948 -0.978 1.00 0.00 C ATOM 0 H MET A 109 7.526 -7.829 1.110 1.00 0.00 H new ATOM 0 HA MET A 109 4.974 -6.870 1.420 1.00 0.00 H new ATOM 0 HB2 MET A 109 5.868 -8.751 -0.703 1.00 0.00 H new ATOM 0 HB3 MET A 109 4.217 -8.193 -0.518 1.00 0.00 H new ATOM 0 HG2 MET A 109 6.697 -6.501 -0.965 1.00 0.00 H new ATOM 0 HG3 MET A 109 5.368 -6.744 -2.080 1.00 0.00 H new ATOM 0 HE1 MET A 109 5.772 -2.928 -0.781 1.00 0.00 H new ATOM 0 HE2 MET A 109 7.031 -4.139 -0.443 1.00 0.00 H new ATOM 0 HE3 MET A 109 6.265 -4.077 -2.048 1.00 0.00 H new ATOM 1665 N THR A 110 5.565 -9.900 2.474 1.00 0.00 N ATOM 1666 CA THR A 110 5.006 -10.946 3.274 1.00 0.00 C ATOM 1667 C THR A 110 4.487 -10.403 4.561 1.00 0.00 C ATOM 1668 O THR A 110 3.386 -10.781 4.958 1.00 0.00 O ATOM 1669 CB THR A 110 5.970 -12.056 3.570 1.00 0.00 C ATOM 1670 OG1 THR A 110 6.516 -12.596 2.375 1.00 0.00 O ATOM 1671 CG2 THR A 110 5.251 -13.155 4.370 1.00 0.00 C ATOM 0 H THR A 110 6.577 -9.954 2.358 1.00 0.00 H new ATOM 0 HA THR A 110 4.195 -11.367 2.680 1.00 0.00 H new ATOM 0 HB THR A 110 6.794 -11.653 4.159 1.00 0.00 H new ATOM 0 HG1 THR A 110 7.297 -12.070 2.105 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.949 -13.963 4.587 1.00 0.00 H new ATOM 0 HG22 THR A 110 4.877 -12.738 5.305 1.00 0.00 H new ATOM 0 HG23 THR A 110 4.417 -13.543 3.786 1.00 0.00 H new ATOM 1679 N ASN A 111 5.262 -9.515 5.208 1.00 0.00 N ATOM 1680 CA ASN A 111 4.934 -9.090 6.534 1.00 0.00 C ATOM 1681 C ASN A 111 3.847 -8.078 6.642 1.00 0.00 C ATOM 1682 O ASN A 111 3.376 -7.838 7.753 1.00 0.00 O ATOM 1683 CB ASN A 111 6.187 -8.606 7.284 1.00 0.00 C ATOM 1684 CG ASN A 111 7.057 -9.767 7.744 1.00 0.00 C ATOM 1685 OD1 ASN A 111 6.778 -10.290 8.822 1.00 0.00 O ATOM 1686 ND2 ASN A 111 8.140 -10.136 7.009 1.00 0.00 N ATOM 0 H ASN A 111 6.106 -9.095 4.819 1.00 0.00 H new ATOM 0 HA ASN A 111 4.531 -9.986 7.006 1.00 0.00 H new ATOM 0 HB2 ASN A 111 6.769 -7.952 6.635 1.00 0.00 H new ATOM 0 HB3 ASN A 111 5.887 -8.013 8.148 1.00 0.00 H new ATOM 0 HD21 ASN A 111 8.758 -10.874 7.347 1.00 0.00 H new ATOM 0 HD22 ASN A 111 8.334 -9.675 6.120 1.00 0.00 H new ATOM 1693 N LEU A 112 3.430 -7.461 5.522 1.00 0.00 N ATOM 1694 CA LEU A 112 2.664 -6.254 5.485 1.00 0.00 C ATOM 1695 C LEU A 112 1.308 -6.302 6.100 1.00 0.00 C ATOM 1696 O LEU A 112 0.982 -5.427 6.901 1.00 0.00 O ATOM 1697 CB LEU A 112 2.609 -5.549 4.119 1.00 0.00 C ATOM 1698 CG LEU A 112 2.205 -4.066 4.141 1.00 0.00 C ATOM 1699 CD1 LEU A 112 3.241 -3.156 4.823 1.00 0.00 C ATOM 1700 CD2 LEU A 112 1.987 -3.763 2.649 1.00 0.00 C ATOM 0 H LEU A 112 3.639 -7.824 4.592 1.00 0.00 H new ATOM 0 HA LEU A 112 3.270 -5.637 6.148 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.590 -5.631 3.651 1.00 0.00 H new ATOM 0 HB3 LEU A 112 1.906 -6.087 3.483 1.00 0.00 H new ATOM 0 HG LEU A 112 1.319 -3.869 4.744 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.889 -2.124 4.801 1.00 0.00 H new ATOM 0 HD12 LEU A 112 3.377 -3.471 5.857 1.00 0.00 H new ATOM 0 HD13 LEU A 112 4.191 -3.226 4.294 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.691 -2.721 2.529 1.00 0.00 H new ATOM 0 HD22 LEU A 112 2.913 -3.943 2.102 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.203 -4.411 2.257 1.00 0.00 H new ATOM 1712 N GLY A 113 0.457 -7.276 5.732 1.00 0.00 N ATOM 1713 CA GLY A 113 -0.861 -7.314 6.286 1.00 0.00 C ATOM 1714 C GLY A 113 -1.633 -8.509 5.843 1.00 0.00 C ATOM 1715 O GLY A 113 -1.840 -9.504 6.536 1.00 0.00 O ATOM 0 H GLY A 113 0.673 -8.020 5.068 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -0.794 -7.312 7.374 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -1.399 -6.411 5.998 1.00 0.00 H new ATOM 1719 N GLU A 114 -2.090 -8.435 4.581 1.00 0.00 N ATOM 1720 CA GLU A 114 -2.709 -9.518 3.882 1.00 0.00 C ATOM 1721 C GLU A 114 -1.889 -10.751 3.712 1.00 0.00 C ATOM 1722 O GLU A 114 -0.680 -10.616 3.531 1.00 0.00 O ATOM 1723 CB GLU A 114 -3.120 -9.082 2.466 1.00 0.00 C ATOM 1724 CG GLU A 114 -4.121 -7.925 2.434 1.00 0.00 C ATOM 1725 CD GLU A 114 -4.424 -7.273 1.093 1.00 0.00 C ATOM 1726 OE1 GLU A 114 -5.270 -7.806 0.327 1.00 0.00 O ATOM 1727 OE2 GLU A 114 -3.875 -6.178 0.796 1.00 0.00 O ATOM 0 H GLU A 114 -2.025 -7.583 4.023 1.00 0.00 H new ATOM 0 HA GLU A 114 -3.552 -9.770 4.525 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -2.227 -8.791 1.914 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -3.552 -9.937 1.945 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -5.062 -8.287 2.848 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -3.755 -7.149 3.106 1.00 0.00 H new ATOM 1734 N LYS A 115 -2.410 -11.986 3.821 1.00 0.00 N ATOM 1735 CA LYS A 115 -1.538 -13.114 3.707 1.00 0.00 C ATOM 1736 C LYS A 115 -1.389 -13.506 2.278 1.00 0.00 C ATOM 1737 O LYS A 115 -2.352 -13.584 1.517 1.00 0.00 O ATOM 1738 CB LYS A 115 -2.017 -14.293 4.571 1.00 0.00 C ATOM 1739 CG LYS A 115 -1.791 -14.111 6.073 1.00 0.00 C ATOM 1740 CD LYS A 115 -2.476 -15.297 6.754 1.00 0.00 C ATOM 1741 CE LYS A 115 -2.241 -15.293 8.266 1.00 0.00 C ATOM 1742 NZ LYS A 115 -2.981 -16.408 8.897 1.00 0.00 N ATOM 0 H LYS A 115 -3.394 -12.201 3.982 1.00 0.00 H new ATOM 0 HA LYS A 115 -0.558 -12.826 4.087 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -3.081 -14.449 4.393 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -1.503 -15.198 4.246 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -0.727 -14.089 6.307 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -2.212 -13.167 6.419 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -3.547 -15.264 6.552 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -2.100 -16.228 6.329 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -1.176 -15.387 8.477 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -2.567 -14.343 8.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -2.816 -16.397 9.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -3.998 -16.300 8.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -2.650 -17.312 8.502 1.00 0.00 H new ATOM 1756 N LEU A 116 -0.135 -13.745 1.853 1.00 0.00 N ATOM 1757 CA LEU A 116 0.250 -14.191 0.550 1.00 0.00 C ATOM 1758 C LEU A 116 0.792 -15.574 0.430 1.00 0.00 C ATOM 1759 O LEU A 116 1.207 -16.174 1.420 1.00 0.00 O ATOM 1760 CB LEU A 116 1.247 -13.114 0.090 1.00 0.00 C ATOM 1761 CG LEU A 116 0.847 -11.639 0.262 1.00 0.00 C ATOM 1762 CD1 LEU A 116 2.053 -10.733 -0.035 1.00 0.00 C ATOM 1763 CD2 LEU A 116 -0.222 -11.202 -0.754 1.00 0.00 C ATOM 0 H LEU A 116 0.669 -13.616 2.468 1.00 0.00 H new ATOM 0 HA LEU A 116 -0.633 -14.291 -0.082 1.00 0.00 H new ATOM 0 HB2 LEU A 116 2.181 -13.272 0.629 1.00 0.00 H new ATOM 0 HB3 LEU A 116 1.456 -13.282 -0.966 1.00 0.00 H new ATOM 0 HG LEU A 116 0.477 -11.548 1.283 1.00 0.00 H new ATOM 0 HD11 LEU A 116 1.763 -9.689 0.089 1.00 0.00 H new ATOM 0 HD12 LEU A 116 2.864 -10.969 0.655 1.00 0.00 H new ATOM 0 HD13 LEU A 116 2.388 -10.898 -1.059 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -0.471 -10.153 -0.592 1.00 0.00 H new ATOM 0 HD22 LEU A 116 0.163 -11.331 -1.766 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -1.117 -11.811 -0.626 1.00 0.00 H new ATOM 1775 N THR A 117 0.882 -16.120 -0.796 1.00 0.00 N ATOM 1776 CA THR A 117 1.705 -17.255 -1.077 1.00 0.00 C ATOM 1777 C THR A 117 2.988 -16.685 -1.576 1.00 0.00 C ATOM 1778 O THR A 117 3.176 -15.484 -1.765 1.00 0.00 O ATOM 1779 CB THR A 117 1.162 -18.135 -2.164 1.00 0.00 C ATOM 1780 OG1 THR A 117 0.656 -17.478 -3.317 1.00 0.00 O ATOM 1781 CG2 THR A 117 -0.069 -18.865 -1.601 1.00 0.00 C ATOM 0 H THR A 117 0.374 -15.767 -1.607 1.00 0.00 H new ATOM 0 HA THR A 117 1.784 -17.868 -0.180 1.00 0.00 H new ATOM 0 HB THR A 117 2.012 -18.749 -2.462 1.00 0.00 H new ATOM 0 HG1 THR A 117 0.331 -18.145 -3.958 1.00 0.00 H new ATOM 0 HG21 THR A 117 -0.489 -19.515 -2.368 1.00 0.00 H new ATOM 0 HG22 THR A 117 0.226 -19.464 -0.739 1.00 0.00 H new ATOM 0 HG23 THR A 117 -0.817 -18.134 -1.295 1.00 0.00 H new ATOM 1789 N ASP A 118 4.036 -17.503 -1.782 1.00 0.00 N ATOM 1790 CA ASP A 118 5.222 -17.031 -2.427 1.00 0.00 C ATOM 1791 C ASP A 118 5.039 -16.565 -3.830 1.00 0.00 C ATOM 1792 O ASP A 118 5.726 -15.656 -4.294 1.00 0.00 O ATOM 1793 CB ASP A 118 6.350 -18.069 -2.308 1.00 0.00 C ATOM 1794 CG ASP A 118 6.984 -17.969 -0.928 1.00 0.00 C ATOM 1795 OD1 ASP A 118 7.888 -17.102 -0.787 1.00 0.00 O ATOM 1796 OD2 ASP A 118 6.672 -18.782 -0.018 1.00 0.00 O ATOM 0 H ASP A 118 4.063 -18.484 -1.504 1.00 0.00 H new ATOM 0 HA ASP A 118 5.507 -16.128 -1.888 1.00 0.00 H new ATOM 0 HB2 ASP A 118 5.955 -19.072 -2.467 1.00 0.00 H new ATOM 0 HB3 ASP A 118 7.101 -17.897 -3.079 1.00 0.00 H new ATOM 1801 N GLU A 119 4.229 -17.296 -4.617 1.00 0.00 N ATOM 1802 CA GLU A 119 3.994 -16.951 -5.985 1.00 0.00 C ATOM 1803 C GLU A 119 3.137 -15.747 -6.178 1.00 0.00 C ATOM 1804 O GLU A 119 3.371 -14.965 -7.097 1.00 0.00 O ATOM 1805 CB GLU A 119 3.373 -18.089 -6.812 1.00 0.00 C ATOM 1806 CG GLU A 119 4.122 -19.423 -6.855 1.00 0.00 C ATOM 1807 CD GLU A 119 3.166 -20.515 -7.313 1.00 0.00 C ATOM 1808 OE1 GLU A 119 2.122 -20.600 -6.613 1.00 0.00 O ATOM 1809 OE2 GLU A 119 3.281 -21.185 -8.374 1.00 0.00 O ATOM 0 H GLU A 119 3.734 -18.131 -4.303 1.00 0.00 H new ATOM 0 HA GLU A 119 5.001 -16.737 -6.343 1.00 0.00 H new ATOM 0 HB2 GLU A 119 2.372 -18.278 -6.425 1.00 0.00 H new ATOM 0 HB3 GLU A 119 3.257 -17.735 -7.837 1.00 0.00 H new ATOM 0 HG2 GLU A 119 4.971 -19.356 -7.536 1.00 0.00 H new ATOM 0 HG3 GLU A 119 4.522 -19.662 -5.870 1.00 0.00 H new ATOM 1816 N GLU A 120 2.257 -15.464 -5.200 1.00 0.00 N ATOM 1817 CA GLU A 120 1.652 -14.175 -5.069 1.00 0.00 C ATOM 1818 C GLU A 120 2.584 -13.045 -4.798 1.00 0.00 C ATOM 1819 O GLU A 120 2.540 -11.945 -5.348 1.00 0.00 O ATOM 1820 CB GLU A 120 0.649 -14.309 -3.910 1.00 0.00 C ATOM 1821 CG GLU A 120 -0.435 -13.246 -3.721 1.00 0.00 C ATOM 1822 CD GLU A 120 -1.502 -13.399 -4.795 1.00 0.00 C ATOM 1823 OE1 GLU A 120 -1.335 -12.999 -5.978 1.00 0.00 O ATOM 1824 OE2 GLU A 120 -2.580 -13.951 -4.448 1.00 0.00 O ATOM 0 H GLU A 120 1.962 -16.137 -4.493 1.00 0.00 H new ATOM 0 HA GLU A 120 1.202 -13.914 -6.027 1.00 0.00 H new ATOM 0 HB2 GLU A 120 0.147 -15.270 -4.023 1.00 0.00 H new ATOM 0 HB3 GLU A 120 1.224 -14.356 -2.985 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -0.884 -13.344 -2.733 1.00 0.00 H new ATOM 0 HG3 GLU A 120 0.006 -12.251 -3.773 1.00 0.00 H new ATOM 1831 N VAL A 121 3.672 -13.222 -4.029 1.00 0.00 N ATOM 1832 CA VAL A 121 4.817 -12.383 -3.855 1.00 0.00 C ATOM 1833 C VAL A 121 5.682 -12.201 -5.054 1.00 0.00 C ATOM 1834 O VAL A 121 5.894 -11.079 -5.510 1.00 0.00 O ATOM 1835 CB VAL A 121 5.587 -12.867 -2.661 1.00 0.00 C ATOM 1836 CG1 VAL A 121 6.738 -11.925 -2.273 1.00 0.00 C ATOM 1837 CG2 VAL A 121 4.642 -12.612 -1.475 1.00 0.00 C ATOM 0 H VAL A 121 3.755 -14.063 -3.458 1.00 0.00 H new ATOM 0 HA VAL A 121 4.441 -11.374 -3.687 1.00 0.00 H new ATOM 0 HB VAL A 121 5.935 -13.878 -2.871 1.00 0.00 H new ATOM 0 HG11 VAL A 121 7.259 -12.326 -1.404 1.00 0.00 H new ATOM 0 HG12 VAL A 121 7.435 -11.840 -3.106 1.00 0.00 H new ATOM 0 HG13 VAL A 121 6.337 -10.940 -2.033 1.00 0.00 H new ATOM 0 HG21 VAL A 121 5.121 -12.936 -0.551 1.00 0.00 H new ATOM 0 HG22 VAL A 121 4.416 -11.548 -1.412 1.00 0.00 H new ATOM 0 HG23 VAL A 121 3.718 -13.171 -1.620 1.00 0.00 H new ATOM 1847 N ASP A 122 6.115 -13.315 -5.672 1.00 0.00 N ATOM 1848 CA ASP A 122 6.999 -13.176 -6.787 1.00 0.00 C ATOM 1849 C ASP A 122 6.313 -12.599 -7.977 1.00 0.00 C ATOM 1850 O ASP A 122 6.902 -11.839 -8.743 1.00 0.00 O ATOM 1851 CB ASP A 122 7.523 -14.588 -7.101 1.00 0.00 C ATOM 1852 CG ASP A 122 8.649 -15.072 -6.200 1.00 0.00 C ATOM 1853 OD1 ASP A 122 9.768 -14.518 -6.369 1.00 0.00 O ATOM 1854 OD2 ASP A 122 8.528 -16.083 -5.458 1.00 0.00 O ATOM 0 H ASP A 122 5.867 -14.271 -5.415 1.00 0.00 H new ATOM 0 HA ASP A 122 7.808 -12.488 -6.543 1.00 0.00 H new ATOM 0 HB2 ASP A 122 6.693 -15.291 -7.029 1.00 0.00 H new ATOM 0 HB3 ASP A 122 7.870 -14.609 -8.134 1.00 0.00 H new ATOM 1859 N GLU A 123 5.008 -12.858 -8.177 1.00 0.00 N ATOM 1860 CA GLU A 123 4.236 -12.262 -9.222 1.00 0.00 C ATOM 1861 C GLU A 123 3.983 -10.818 -8.959 1.00 0.00 C ATOM 1862 O GLU A 123 3.850 -10.016 -9.883 1.00 0.00 O ATOM 1863 CB GLU A 123 2.871 -12.937 -9.439 1.00 0.00 C ATOM 1864 CG GLU A 123 1.941 -12.425 -10.541 1.00 0.00 C ATOM 1865 CD GLU A 123 0.656 -13.211 -10.759 1.00 0.00 C ATOM 1866 OE1 GLU A 123 0.579 -14.198 -11.538 1.00 0.00 O ATOM 1867 OE2 GLU A 123 -0.429 -12.748 -10.314 1.00 0.00 O ATOM 0 H GLU A 123 4.474 -13.502 -7.593 1.00 0.00 H new ATOM 0 HA GLU A 123 4.841 -12.395 -10.119 1.00 0.00 H new ATOM 0 HB2 GLU A 123 3.057 -13.993 -9.634 1.00 0.00 H new ATOM 0 HB3 GLU A 123 2.325 -12.878 -8.498 1.00 0.00 H new ATOM 0 HG2 GLU A 123 1.676 -11.393 -10.313 1.00 0.00 H new ATOM 0 HG3 GLU A 123 2.497 -12.411 -11.479 1.00 0.00 H new ATOM 1874 N MET A 124 4.086 -10.307 -7.719 1.00 0.00 N ATOM 1875 CA MET A 124 3.984 -8.933 -7.335 1.00 0.00 C ATOM 1876 C MET A 124 5.281 -8.243 -7.582 1.00 0.00 C ATOM 1877 O MET A 124 5.368 -7.265 -8.322 1.00 0.00 O ATOM 1878 CB MET A 124 3.487 -8.838 -5.882 1.00 0.00 C ATOM 1879 CG MET A 124 3.473 -7.430 -5.284 1.00 0.00 C ATOM 1880 SD MET A 124 2.823 -7.230 -3.598 1.00 0.00 S ATOM 1881 CE MET A 124 1.140 -7.914 -3.579 1.00 0.00 C ATOM 0 H MET A 124 4.256 -10.911 -6.915 1.00 0.00 H new ATOM 0 HA MET A 124 3.245 -8.413 -7.944 1.00 0.00 H new ATOM 0 HB2 MET A 124 2.477 -9.245 -5.834 1.00 0.00 H new ATOM 0 HB3 MET A 124 4.116 -9.473 -5.258 1.00 0.00 H new ATOM 0 HG2 MET A 124 4.495 -7.051 -5.296 1.00 0.00 H new ATOM 0 HG3 MET A 124 2.889 -6.791 -5.946 1.00 0.00 H new ATOM 0 HE1 MET A 124 0.717 -7.811 -2.580 1.00 0.00 H new ATOM 0 HE2 MET A 124 0.519 -7.373 -4.294 1.00 0.00 H new ATOM 0 HE3 MET A 124 1.173 -8.969 -3.852 1.00 0.00 H new ATOM 1891 N ILE A 125 6.399 -8.789 -7.070 1.00 0.00 N ATOM 1892 CA ILE A 125 7.706 -8.406 -7.508 1.00 0.00 C ATOM 1893 C ILE A 125 7.958 -8.360 -8.976 1.00 0.00 C ATOM 1894 O ILE A 125 8.625 -7.470 -9.502 1.00 0.00 O ATOM 1895 CB ILE A 125 8.665 -9.451 -7.020 1.00 0.00 C ATOM 1896 CG1 ILE A 125 8.589 -9.449 -5.484 1.00 0.00 C ATOM 1897 CG2 ILE A 125 10.130 -9.285 -7.460 1.00 0.00 C ATOM 1898 CD1 ILE A 125 9.357 -10.556 -4.763 1.00 0.00 C ATOM 0 H ILE A 125 6.396 -9.505 -6.343 1.00 0.00 H new ATOM 0 HA ILE A 125 7.820 -7.392 -7.124 1.00 0.00 H new ATOM 0 HB ILE A 125 8.357 -10.393 -7.473 1.00 0.00 H new ATOM 0 HG12 ILE A 125 8.958 -8.488 -5.125 1.00 0.00 H new ATOM 0 HG13 ILE A 125 7.540 -9.516 -5.194 1.00 0.00 H new ATOM 0 HG21 ILE A 125 10.728 -10.098 -7.047 1.00 0.00 H new ATOM 0 HG22 ILE A 125 10.188 -9.308 -8.548 1.00 0.00 H new ATOM 0 HG23 ILE A 125 10.513 -8.332 -7.096 1.00 0.00 H new ATOM 0 HD11 ILE A 125 9.226 -10.448 -3.686 1.00 0.00 H new ATOM 0 HD12 ILE A 125 8.977 -11.528 -5.079 1.00 0.00 H new ATOM 0 HD13 ILE A 125 10.416 -10.483 -5.009 1.00 0.00 H new ATOM 1910 N ARG A 126 7.564 -9.377 -9.763 1.00 0.00 N ATOM 1911 CA ARG A 126 7.585 -9.498 -11.188 1.00 0.00 C ATOM 1912 C ARG A 126 6.912 -8.311 -11.786 1.00 0.00 C ATOM 1913 O ARG A 126 7.508 -7.669 -12.650 1.00 0.00 O ATOM 1914 CB ARG A 126 6.893 -10.757 -11.737 1.00 0.00 C ATOM 1915 CG ARG A 126 6.922 -10.962 -13.253 1.00 0.00 C ATOM 1916 CD ARG A 126 8.331 -11.302 -13.745 1.00 0.00 C ATOM 1917 NE ARG A 126 8.520 -12.746 -13.430 1.00 0.00 N ATOM 1918 CZ ARG A 126 9.708 -13.418 -13.420 1.00 0.00 C ATOM 1919 NH1 ARG A 126 10.838 -12.859 -13.943 1.00 0.00 N ATOM 1920 NH2 ARG A 126 9.713 -14.709 -12.975 1.00 0.00 N ATOM 0 H ARG A 126 7.181 -10.223 -9.340 1.00 0.00 H new ATOM 0 HA ARG A 126 8.638 -9.570 -11.461 1.00 0.00 H new ATOM 0 HB2 ARG A 126 7.353 -11.627 -11.269 1.00 0.00 H new ATOM 0 HB3 ARG A 126 5.851 -10.737 -11.418 1.00 0.00 H new ATOM 0 HG2 ARG A 126 6.236 -11.764 -13.526 1.00 0.00 H new ATOM 0 HG3 ARG A 126 6.570 -10.058 -13.750 1.00 0.00 H new ATOM 0 HD2 ARG A 126 8.429 -11.117 -14.815 1.00 0.00 H new ATOM 0 HD3 ARG A 126 9.081 -10.689 -13.245 1.00 0.00 H new ATOM 0 HE ARG A 126 7.683 -13.282 -13.200 1.00 0.00 H new ATOM 0 HH11 ARG A 126 10.803 -11.924 -14.350 1.00 0.00 H new ATOM 0 HH12 ARG A 126 11.717 -13.376 -13.927 1.00 0.00 H new ATOM 0 HH21 ARG A 126 8.845 -15.144 -12.662 1.00 0.00 H new ATOM 0 HH22 ARG A 126 10.585 -15.238 -12.955 1.00 0.00 H new ATOM 1934 N GLU A 127 5.698 -7.918 -11.361 1.00 0.00 N ATOM 1935 CA GLU A 127 5.026 -6.762 -11.869 1.00 0.00 C ATOM 1936 C GLU A 127 5.511 -5.446 -11.366 1.00 0.00 C ATOM 1937 O GLU A 127 5.539 -4.436 -12.068 1.00 0.00 O ATOM 1938 CB GLU A 127 3.496 -6.918 -11.860 1.00 0.00 C ATOM 1939 CG GLU A 127 2.665 -5.754 -12.403 1.00 0.00 C ATOM 1940 CD GLU A 127 1.174 -6.056 -12.352 1.00 0.00 C ATOM 1941 OE1 GLU A 127 0.762 -7.083 -12.954 1.00 0.00 O ATOM 1942 OE2 GLU A 127 0.440 -5.280 -11.684 1.00 0.00 O ATOM 0 H GLU A 127 5.170 -8.417 -10.645 1.00 0.00 H new ATOM 0 HA GLU A 127 5.325 -6.722 -12.916 1.00 0.00 H new ATOM 0 HB2 GLU A 127 3.245 -7.808 -12.437 1.00 0.00 H new ATOM 0 HB3 GLU A 127 3.183 -7.105 -10.833 1.00 0.00 H new ATOM 0 HG2 GLU A 127 2.874 -4.855 -11.823 1.00 0.00 H new ATOM 0 HG3 GLU A 127 2.959 -5.545 -13.432 1.00 0.00 H new ATOM 1949 N ALA A 128 5.971 -5.383 -10.104 1.00 0.00 N ATOM 1950 CA ALA A 128 6.739 -4.284 -9.606 1.00 0.00 C ATOM 1951 C ALA A 128 8.000 -3.918 -10.310 1.00 0.00 C ATOM 1952 O ALA A 128 8.246 -2.802 -10.767 1.00 0.00 O ATOM 1953 CB ALA A 128 6.988 -4.617 -8.125 1.00 0.00 C ATOM 0 H ALA A 128 5.805 -6.114 -9.412 1.00 0.00 H new ATOM 0 HA ALA A 128 6.161 -3.377 -9.780 1.00 0.00 H new ATOM 0 HB1 ALA A 128 7.574 -3.820 -7.666 1.00 0.00 H new ATOM 0 HB2 ALA A 128 6.033 -4.710 -7.607 1.00 0.00 H new ATOM 0 HB3 ALA A 128 7.534 -5.558 -8.050 1.00 0.00 H new ATOM 1959 N ASP A 129 8.904 -4.856 -10.644 1.00 0.00 N ATOM 1960 CA ASP A 129 10.192 -4.541 -11.181 1.00 0.00 C ATOM 1961 C ASP A 129 10.042 -4.209 -12.626 1.00 0.00 C ATOM 1962 O ASP A 129 9.759 -5.103 -13.423 1.00 0.00 O ATOM 1963 CB ASP A 129 11.421 -5.419 -10.892 1.00 0.00 C ATOM 1964 CG ASP A 129 12.696 -4.597 -11.018 1.00 0.00 C ATOM 1965 OD1 ASP A 129 13.151 -4.174 -12.114 1.00 0.00 O ATOM 1966 OD2 ASP A 129 13.249 -4.155 -9.975 1.00 0.00 O ATOM 0 H ASP A 129 8.736 -5.857 -10.539 1.00 0.00 H new ATOM 0 HA ASP A 129 10.494 -3.689 -10.572 1.00 0.00 H new ATOM 0 HB2 ASP A 129 11.349 -5.840 -9.889 1.00 0.00 H new ATOM 0 HB3 ASP A 129 11.450 -6.257 -11.588 1.00 0.00 H new ATOM 1971 N ILE A 130 10.300 -2.957 -13.045 1.00 0.00 N ATOM 1972 CA ILE A 130 10.227 -2.422 -14.369 1.00 0.00 C ATOM 1973 C ILE A 130 11.307 -2.845 -15.305 1.00 0.00 C ATOM 1974 O ILE A 130 11.013 -3.252 -16.427 1.00 0.00 O ATOM 1975 CB ILE A 130 9.887 -0.965 -14.477 1.00 0.00 C ATOM 1976 CG1 ILE A 130 8.453 -0.777 -13.955 1.00 0.00 C ATOM 1977 CG2 ILE A 130 10.181 -0.349 -15.856 1.00 0.00 C ATOM 1978 CD1 ILE A 130 8.232 0.583 -13.295 1.00 0.00 C ATOM 0 H ILE A 130 10.592 -2.243 -12.378 1.00 0.00 H new ATOM 0 HA ILE A 130 9.336 -2.931 -14.736 1.00 0.00 H new ATOM 0 HB ILE A 130 10.557 -0.381 -13.846 1.00 0.00 H new ATOM 0 HG12 ILE A 130 7.753 -0.891 -14.783 1.00 0.00 H new ATOM 0 HG13 ILE A 130 8.228 -1.565 -13.236 1.00 0.00 H new ATOM 0 HG21 ILE A 130 9.907 0.706 -15.849 1.00 0.00 H new ATOM 0 HG22 ILE A 130 11.243 -0.446 -16.079 1.00 0.00 H new ATOM 0 HG23 ILE A 130 9.601 -0.870 -16.618 1.00 0.00 H new ATOM 0 HD11 ILE A 130 7.202 0.655 -12.947 1.00 0.00 H new ATOM 0 HD12 ILE A 130 8.909 0.691 -12.448 1.00 0.00 H new ATOM 0 HD13 ILE A 130 8.427 1.375 -14.018 1.00 0.00 H new ATOM 1990 N ASP A 131 12.589 -2.769 -14.904 1.00 0.00 N ATOM 1991 CA ASP A 131 13.777 -3.210 -15.567 1.00 0.00 C ATOM 1992 C ASP A 131 13.769 -4.696 -15.668 1.00 0.00 C ATOM 1993 O ASP A 131 13.845 -5.133 -16.815 1.00 0.00 O ATOM 1994 CB ASP A 131 14.988 -2.790 -14.717 1.00 0.00 C ATOM 1995 CG ASP A 131 14.809 -1.372 -14.195 1.00 0.00 C ATOM 1996 OD1 ASP A 131 15.198 -0.448 -14.958 1.00 0.00 O ATOM 1997 OD2 ASP A 131 14.319 -1.220 -13.044 1.00 0.00 O ATOM 0 H ASP A 131 12.815 -2.346 -14.004 1.00 0.00 H new ATOM 0 HA ASP A 131 13.828 -2.772 -16.564 1.00 0.00 H new ATOM 0 HB2 ASP A 131 15.109 -3.479 -13.881 1.00 0.00 H new ATOM 0 HB3 ASP A 131 15.898 -2.851 -15.315 1.00 0.00 H new ATOM 2002 N GLY A 132 13.647 -5.436 -14.551 1.00 0.00 N ATOM 2003 CA GLY A 132 14.069 -6.801 -14.476 1.00 0.00 C ATOM 2004 C GLY A 132 15.423 -6.872 -13.857 1.00 0.00 C ATOM 2005 O GLY A 132 15.991 -7.963 -13.881 1.00 0.00 O ATOM 0 H GLY A 132 13.247 -5.079 -13.683 1.00 0.00 H new ATOM 0 HA2 GLY A 132 13.358 -7.380 -13.887 1.00 0.00 H new ATOM 0 HA3 GLY A 132 14.090 -7.241 -15.473 1.00 0.00 H new ATOM 2009 N ASP A 133 15.931 -5.749 -13.318 1.00 0.00 N ATOM 2010 CA ASP A 133 17.131 -5.754 -12.542 1.00 0.00 C ATOM 2011 C ASP A 133 16.962 -6.337 -11.181 1.00 0.00 C ATOM 2012 O ASP A 133 17.931 -6.618 -10.478 1.00 0.00 O ATOM 2013 CB ASP A 133 17.867 -4.403 -12.560 1.00 0.00 C ATOM 2014 CG ASP A 133 17.395 -3.357 -11.560 1.00 0.00 C ATOM 2015 OD1 ASP A 133 16.183 -3.348 -11.216 1.00 0.00 O ATOM 2016 OD2 ASP A 133 18.132 -2.392 -11.221 1.00 0.00 O ATOM 0 H ASP A 133 15.504 -4.828 -13.422 1.00 0.00 H new ATOM 0 HA ASP A 133 17.802 -6.447 -13.049 1.00 0.00 H new ATOM 0 HB2 ASP A 133 18.926 -4.590 -12.383 1.00 0.00 H new ATOM 0 HB3 ASP A 133 17.780 -3.981 -13.561 1.00 0.00 H new ATOM 2021 N GLY A 134 15.682 -6.375 -10.769 1.00 0.00 N ATOM 2022 CA GLY A 134 15.342 -7.028 -9.543 1.00 0.00 C ATOM 2023 C GLY A 134 15.354 -6.207 -8.299 1.00 0.00 C ATOM 2024 O GLY A 134 15.105 -6.822 -7.264 1.00 0.00 O ATOM 0 H GLY A 134 14.897 -5.963 -11.273 1.00 0.00 H new ATOM 0 HA2 GLY A 134 14.345 -7.455 -9.655 1.00 0.00 H new ATOM 0 HA3 GLY A 134 16.031 -7.861 -9.403 1.00 0.00 H new ATOM 2028 N GLN A 135 15.583 -4.882 -8.324 1.00 0.00 N ATOM 2029 CA GLN A 135 15.729 -4.079 -7.149 1.00 0.00 C ATOM 2030 C GLN A 135 14.822 -2.915 -7.356 1.00 0.00 C ATOM 2031 O GLN A 135 14.811 -2.273 -8.405 1.00 0.00 O ATOM 2032 CB GLN A 135 17.170 -3.610 -6.889 1.00 0.00 C ATOM 2033 CG GLN A 135 17.998 -2.865 -7.938 1.00 0.00 C ATOM 2034 CD GLN A 135 19.451 -2.653 -7.536 1.00 0.00 C ATOM 2035 OE1 GLN A 135 19.940 -2.849 -6.425 1.00 0.00 O ATOM 2036 NE2 GLN A 135 20.195 -2.170 -8.566 1.00 0.00 N ATOM 0 H GLN A 135 15.670 -4.351 -9.191 1.00 0.00 H new ATOM 0 HA GLN A 135 15.476 -4.665 -6.266 1.00 0.00 H new ATOM 0 HB2 GLN A 135 17.134 -2.969 -6.008 1.00 0.00 H new ATOM 0 HB3 GLN A 135 17.741 -4.497 -6.615 1.00 0.00 H new ATOM 0 HG2 GLN A 135 17.967 -3.422 -8.874 1.00 0.00 H new ATOM 0 HG3 GLN A 135 17.538 -1.895 -8.129 1.00 0.00 H new ATOM 0 HE21 GLN A 135 19.765 -2.016 -9.478 1.00 0.00 H new ATOM 0 HE22 GLN A 135 21.184 -1.961 -8.427 1.00 0.00 H new ATOM 2045 N VAL A 136 13.798 -2.693 -6.512 1.00 0.00 N ATOM 2046 CA VAL A 136 12.719 -1.772 -6.692 1.00 0.00 C ATOM 2047 C VAL A 136 13.012 -0.429 -6.119 1.00 0.00 C ATOM 2048 O VAL A 136 13.209 -0.235 -4.920 1.00 0.00 O ATOM 2049 CB VAL A 136 11.415 -2.314 -6.185 1.00 0.00 C ATOM 2050 CG1 VAL A 136 10.244 -1.388 -5.817 1.00 0.00 C ATOM 2051 CG2 VAL A 136 10.991 -3.089 -7.444 1.00 0.00 C ATOM 0 H VAL A 136 13.720 -3.201 -5.631 1.00 0.00 H new ATOM 0 HA VAL A 136 12.615 -1.641 -7.769 1.00 0.00 H new ATOM 0 HB VAL A 136 11.591 -2.796 -5.223 1.00 0.00 H new ATOM 0 HG11 VAL A 136 9.400 -1.987 -5.474 1.00 0.00 H new ATOM 0 HG12 VAL A 136 10.553 -0.708 -5.023 1.00 0.00 H new ATOM 0 HG13 VAL A 136 9.947 -0.811 -6.693 1.00 0.00 H new ATOM 0 HG21 VAL A 136 10.030 -3.572 -7.268 1.00 0.00 H new ATOM 0 HG22 VAL A 136 10.902 -2.399 -8.283 1.00 0.00 H new ATOM 0 HG23 VAL A 136 11.740 -3.846 -7.675 1.00 0.00 H new ATOM 2061 N ASN A 137 13.058 0.577 -7.011 1.00 0.00 N ATOM 2062 CA ASN A 137 13.310 1.934 -6.637 1.00 0.00 C ATOM 2063 C ASN A 137 12.083 2.700 -6.279 1.00 0.00 C ATOM 2064 O ASN A 137 11.015 2.093 -6.209 1.00 0.00 O ATOM 2065 CB ASN A 137 14.251 2.557 -7.681 1.00 0.00 C ATOM 2066 CG ASN A 137 13.662 2.928 -9.035 1.00 0.00 C ATOM 2067 OD1 ASN A 137 12.593 3.535 -9.073 1.00 0.00 O ATOM 2068 ND2 ASN A 137 14.200 2.576 -10.234 1.00 0.00 N ATOM 0 H ASN A 137 12.917 0.445 -8.013 1.00 0.00 H new ATOM 0 HA ASN A 137 13.837 1.974 -5.684 1.00 0.00 H new ATOM 0 HB2 ASN A 137 14.685 3.458 -7.246 1.00 0.00 H new ATOM 0 HB3 ASN A 137 15.071 1.859 -7.852 1.00 0.00 H new ATOM 0 HD21 ASN A 137 13.718 2.817 -11.100 1.00 0.00 H new ATOM 0 HD22 ASN A 137 15.085 2.071 -10.267 1.00 0.00 H new ATOM 2075 N TYR A 138 12.209 4.020 -6.055 1.00 0.00 N ATOM 2076 CA TYR A 138 11.119 4.844 -5.633 1.00 0.00 C ATOM 2077 C TYR A 138 10.035 4.898 -6.653 1.00 0.00 C ATOM 2078 O TYR A 138 8.884 4.585 -6.351 1.00 0.00 O ATOM 2079 CB TYR A 138 11.549 6.242 -5.155 1.00 0.00 C ATOM 2080 CG TYR A 138 10.363 6.941 -4.587 1.00 0.00 C ATOM 2081 CD1 TYR A 138 9.667 6.384 -3.540 1.00 0.00 C ATOM 2082 CD2 TYR A 138 9.928 8.103 -5.180 1.00 0.00 C ATOM 2083 CE1 TYR A 138 8.480 6.989 -3.203 1.00 0.00 C ATOM 2084 CE2 TYR A 138 8.764 8.704 -4.762 1.00 0.00 C ATOM 2085 CZ TYR A 138 7.970 8.115 -3.807 1.00 0.00 C ATOM 2086 OH TYR A 138 6.680 8.537 -3.418 1.00 0.00 O ATOM 0 H TYR A 138 13.087 4.526 -6.170 1.00 0.00 H new ATOM 0 HA TYR A 138 10.705 4.358 -4.750 1.00 0.00 H new ATOM 0 HB2 TYR A 138 12.334 6.159 -4.403 1.00 0.00 H new ATOM 0 HB3 TYR A 138 11.962 6.814 -5.986 1.00 0.00 H new ATOM 0 HD1 TYR A 138 10.034 5.517 -3.011 1.00 0.00 H new ATOM 0 HD2 TYR A 138 10.504 8.546 -5.979 1.00 0.00 H new ATOM 0 HE1 TYR A 138 7.904 6.547 -2.403 1.00 0.00 H new ATOM 0 HE2 TYR A 138 8.470 9.651 -5.190 1.00 0.00 H new ATOM 0 HH TYR A 138 6.435 9.344 -3.917 1.00 0.00 H new ATOM 2096 N GLU A 139 10.349 5.151 -7.936 1.00 0.00 N ATOM 2097 CA GLU A 139 9.469 5.364 -9.043 1.00 0.00 C ATOM 2098 C GLU A 139 8.753 4.087 -9.318 1.00 0.00 C ATOM 2099 O GLU A 139 7.571 4.070 -9.656 1.00 0.00 O ATOM 2100 CB GLU A 139 10.179 5.918 -10.290 1.00 0.00 C ATOM 2101 CG GLU A 139 9.110 6.286 -11.322 1.00 0.00 C ATOM 2102 CD GLU A 139 9.618 7.082 -12.516 1.00 0.00 C ATOM 2103 OE1 GLU A 139 10.096 6.425 -13.479 1.00 0.00 O ATOM 2104 OE2 GLU A 139 9.504 8.336 -12.500 1.00 0.00 O ATOM 0 H GLU A 139 11.325 5.212 -8.226 1.00 0.00 H new ATOM 0 HA GLU A 139 8.752 6.141 -8.777 1.00 0.00 H new ATOM 0 HB2 GLU A 139 10.775 6.793 -10.031 1.00 0.00 H new ATOM 0 HB3 GLU A 139 10.864 5.175 -10.700 1.00 0.00 H new ATOM 0 HG2 GLU A 139 8.646 5.369 -11.686 1.00 0.00 H new ATOM 0 HG3 GLU A 139 8.330 6.862 -10.825 1.00 0.00 H new ATOM 2111 N GLU A 140 9.428 2.937 -9.137 1.00 0.00 N ATOM 2112 CA GLU A 140 8.896 1.618 -9.288 1.00 0.00 C ATOM 2113 C GLU A 140 7.876 1.340 -8.238 1.00 0.00 C ATOM 2114 O GLU A 140 6.875 0.723 -8.598 1.00 0.00 O ATOM 2115 CB GLU A 140 9.878 0.440 -9.403 1.00 0.00 C ATOM 2116 CG GLU A 140 11.019 0.842 -10.339 1.00 0.00 C ATOM 2117 CD GLU A 140 12.049 -0.279 -10.349 1.00 0.00 C ATOM 2118 OE1 GLU A 140 11.948 -1.253 -11.141 1.00 0.00 O ATOM 2119 OE2 GLU A 140 13.062 -0.241 -9.600 1.00 0.00 O ATOM 0 H GLU A 140 10.412 2.930 -8.867 1.00 0.00 H new ATOM 0 HA GLU A 140 8.455 1.659 -10.284 1.00 0.00 H new ATOM 0 HB2 GLU A 140 10.270 0.178 -8.420 1.00 0.00 H new ATOM 0 HB3 GLU A 140 9.366 -0.442 -9.788 1.00 0.00 H new ATOM 0 HG2 GLU A 140 10.640 1.018 -11.346 1.00 0.00 H new ATOM 0 HG3 GLU A 140 11.475 1.773 -10.003 1.00 0.00 H new ATOM 2126 N PHE A 141 8.098 1.684 -6.957 1.00 0.00 N ATOM 2127 CA PHE A 141 7.154 1.563 -5.889 1.00 0.00 C ATOM 2128 C PHE A 141 5.927 2.384 -6.090 1.00 0.00 C ATOM 2129 O PHE A 141 4.797 1.953 -5.867 1.00 0.00 O ATOM 2130 CB PHE A 141 7.851 1.931 -4.568 1.00 0.00 C ATOM 2131 CG PHE A 141 6.975 1.753 -3.376 1.00 0.00 C ATOM 2132 CD1 PHE A 141 6.666 0.466 -3.005 1.00 0.00 C ATOM 2133 CD2 PHE A 141 6.561 2.754 -2.529 1.00 0.00 C ATOM 2134 CE1 PHE A 141 6.059 0.187 -1.803 1.00 0.00 C ATOM 2135 CE2 PHE A 141 5.917 2.493 -1.343 1.00 0.00 C ATOM 2136 CZ PHE A 141 5.757 1.195 -0.918 1.00 0.00 C ATOM 0 H PHE A 141 8.990 2.070 -6.649 1.00 0.00 H new ATOM 0 HA PHE A 141 6.812 0.528 -5.862 1.00 0.00 H new ATOM 0 HB2 PHE A 141 8.743 1.316 -4.451 1.00 0.00 H new ATOM 0 HB3 PHE A 141 8.183 2.968 -4.616 1.00 0.00 H new ATOM 0 HD1 PHE A 141 6.906 -0.347 -3.675 1.00 0.00 H new ATOM 0 HD2 PHE A 141 6.748 3.781 -2.805 1.00 0.00 H new ATOM 0 HE1 PHE A 141 5.817 -0.835 -1.551 1.00 0.00 H new ATOM 0 HE2 PHE A 141 5.537 3.308 -0.745 1.00 0.00 H new ATOM 0 HZ PHE A 141 5.405 0.974 0.079 1.00 0.00 H new ATOM 2146 N VAL A 142 6.143 3.598 -6.626 1.00 0.00 N ATOM 2147 CA VAL A 142 5.140 4.529 -7.040 1.00 0.00 C ATOM 2148 C VAL A 142 4.237 3.892 -8.040 1.00 0.00 C ATOM 2149 O VAL A 142 3.018 3.807 -7.896 1.00 0.00 O ATOM 2150 CB VAL A 142 5.694 5.866 -7.436 1.00 0.00 C ATOM 2151 CG1 VAL A 142 4.586 6.768 -8.007 1.00 0.00 C ATOM 2152 CG2 VAL A 142 6.374 6.558 -6.243 1.00 0.00 C ATOM 0 H VAL A 142 7.087 3.953 -6.781 1.00 0.00 H new ATOM 0 HA VAL A 142 4.520 4.779 -6.179 1.00 0.00 H new ATOM 0 HB VAL A 142 6.443 5.698 -8.210 1.00 0.00 H new ATOM 0 HG11 VAL A 142 5.010 7.732 -8.287 1.00 0.00 H new ATOM 0 HG12 VAL A 142 4.148 6.295 -8.886 1.00 0.00 H new ATOM 0 HG13 VAL A 142 3.813 6.917 -7.253 1.00 0.00 H new ATOM 0 HG21 VAL A 142 6.766 7.525 -6.558 1.00 0.00 H new ATOM 0 HG22 VAL A 142 5.647 6.705 -5.445 1.00 0.00 H new ATOM 0 HG23 VAL A 142 7.192 5.936 -5.879 1.00 0.00 H new ATOM 2162 N GLN A 143 4.789 3.294 -9.111 1.00 0.00 N ATOM 2163 CA GLN A 143 4.064 2.639 -10.155 1.00 0.00 C ATOM 2164 C GLN A 143 3.333 1.405 -9.754 1.00 0.00 C ATOM 2165 O GLN A 143 2.255 1.134 -10.283 1.00 0.00 O ATOM 2166 CB GLN A 143 4.960 2.505 -11.399 1.00 0.00 C ATOM 2167 CG GLN A 143 4.348 3.336 -12.528 1.00 0.00 C ATOM 2168 CD GLN A 143 5.271 3.099 -13.715 1.00 0.00 C ATOM 2169 OE1 GLN A 143 5.917 4.029 -14.195 1.00 0.00 O ATOM 2170 NE2 GLN A 143 5.372 1.836 -14.210 1.00 0.00 N ATOM 0 H GLN A 143 5.798 3.266 -9.256 1.00 0.00 H new ATOM 0 HA GLN A 143 3.225 3.281 -10.423 1.00 0.00 H new ATOM 0 HB2 GLN A 143 5.970 2.851 -11.178 1.00 0.00 H new ATOM 0 HB3 GLN A 143 5.040 1.460 -11.698 1.00 0.00 H new ATOM 0 HG2 GLN A 143 3.329 3.019 -12.748 1.00 0.00 H new ATOM 0 HG3 GLN A 143 4.303 4.393 -12.264 1.00 0.00 H new ATOM 0 HE21 GLN A 143 4.826 1.081 -13.795 1.00 0.00 H new ATOM 0 HE22 GLN A 143 5.994 1.644 -14.996 1.00 0.00 H new ATOM 2179 N MET A 144 3.937 0.714 -8.771 1.00 0.00 N ATOM 2180 CA MET A 144 3.401 -0.421 -8.087 1.00 0.00 C ATOM 2181 C MET A 144 2.193 -0.110 -7.271 1.00 0.00 C ATOM 2182 O MET A 144 1.164 -0.765 -7.428 1.00 0.00 O ATOM 2183 CB MET A 144 4.559 -1.110 -7.345 1.00 0.00 C ATOM 2184 CG MET A 144 4.214 -2.186 -6.313 1.00 0.00 C ATOM 2185 SD MET A 144 5.648 -2.688 -5.315 1.00 0.00 S ATOM 2186 CE MET A 144 4.633 -4.050 -4.673 1.00 0.00 C ATOM 0 H MET A 144 4.865 0.967 -8.431 1.00 0.00 H new ATOM 0 HA MET A 144 2.991 -1.137 -8.799 1.00 0.00 H new ATOM 0 HB2 MET A 144 5.212 -1.561 -8.092 1.00 0.00 H new ATOM 0 HB3 MET A 144 5.138 -0.337 -6.840 1.00 0.00 H new ATOM 0 HG2 MET A 144 3.430 -1.813 -5.653 1.00 0.00 H new ATOM 0 HG3 MET A 144 3.810 -3.059 -6.826 1.00 0.00 H new ATOM 0 HE1 MET A 144 5.247 -4.699 -4.049 1.00 0.00 H new ATOM 0 HE2 MET A 144 3.814 -3.645 -4.079 1.00 0.00 H new ATOM 0 HE3 MET A 144 4.228 -4.625 -5.505 1.00 0.00 H new ATOM 2196 N MET A 145 2.253 0.934 -6.426 1.00 0.00 N ATOM 2197 CA MET A 145 1.182 1.412 -5.608 1.00 0.00 C ATOM 2198 C MET A 145 0.067 2.187 -6.223 1.00 0.00 C ATOM 2199 O MET A 145 -1.049 2.226 -5.708 1.00 0.00 O ATOM 2200 CB MET A 145 1.783 2.029 -4.334 1.00 0.00 C ATOM 2201 CG MET A 145 2.483 0.958 -3.495 1.00 0.00 C ATOM 2202 SD MET A 145 1.497 -0.377 -2.753 1.00 0.00 S ATOM 2203 CE MET A 145 2.869 -0.978 -1.727 1.00 0.00 C ATOM 0 H MET A 145 3.106 1.480 -6.307 1.00 0.00 H new ATOM 0 HA MET A 145 0.591 0.527 -5.372 1.00 0.00 H new ATOM 0 HB2 MET A 145 2.494 2.810 -4.602 1.00 0.00 H new ATOM 0 HB3 MET A 145 0.996 2.502 -3.747 1.00 0.00 H new ATOM 0 HG2 MET A 145 3.242 0.493 -4.124 1.00 0.00 H new ATOM 0 HG3 MET A 145 3.007 1.467 -2.686 1.00 0.00 H new ATOM 0 HE1 MET A 145 2.522 -1.799 -1.099 1.00 0.00 H new ATOM 0 HE2 MET A 145 3.677 -1.329 -2.369 1.00 0.00 H new ATOM 0 HE3 MET A 145 3.233 -0.168 -1.096 1.00 0.00 H new