USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=24 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 94 LYS NZ :NH3+ -171:sc= 1.31 (180deg=-0.00825) USER MOD Set 1.2: A 107 HIS : no HE2:sc= 0.798 K(o=1.3,f=-8.3!) USER MOD Set 1.3: A 111 ASN : amide:sc= -0.77 K(o=1.3,f=-3!) USER MOD Set 2.1: A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 72 MET CE :methyl -143:sc= 0 (180deg=-0.377) USER MOD Set 3.1: A 28 THR OG1 : rot -69:sc= 2.08 USER MOD Set 3.2: A 30 LYS NZ :NH3+ 177:sc= 0.836 (180deg=-0.00609) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.615 USER MOD Single : A 8 GLN : amide:sc= -0.0611 K(o=-0.061,f=-1.5) USER MOD Single : A 13 LYS NZ :NH3+ 140:sc= 1.29 (180deg=0.103) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0448) USER MOD Single : A 26 THR OG1 : rot -31:sc= 1.2 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -84:sc= 0.658 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0.641 K(o=0.64,f=-0.15) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot -51:sc= 1.23 USER MOD Single : A 49 GLN : amide:sc= -0.0304 K(o=-0.03,f=-1.5!) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.0274 X(o=-0.027,f=0) USER MOD Single : A 60 ASN : amide:sc= 0.88 K(o=0.88,f=-1.8!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0253 USER MOD Single : A 70 THR OG1 : rot 91:sc= 0.208 USER MOD Single : A 71 MET CE :methyl -142:sc= -0.217 (180deg=-0.351) USER MOD Single : A 97 ASN : amide:sc= 0.299 K(o=0.3,f=-2.6!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -70:sc= 0.0941 USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot -59:sc= 0.26 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.301 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= -0.125 K(o=-0.12,f=-0.69) USER MOD Single : A 137 ASN : amide:sc= 0.094 K(o=0.094,f=-4.9!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -0.0199 K(o=-0.02,f=-0.78) USER MOD Single : A 144 MET CE :methyl 165:sc= 0 (180deg=-0.259) USER MOD Single : A 145 MET CE :methyl 172:sc= -2.54 (180deg=-2.61!) USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -13.562 17.586 0.722 1.00 0.00 N ATOM 59 CA THR A 5 -14.434 18.349 -0.116 1.00 0.00 C ATOM 60 C THR A 5 -15.715 17.670 -0.459 1.00 0.00 C ATOM 61 O THR A 5 -15.810 16.452 -0.320 1.00 0.00 O ATOM 62 CB THR A 5 -13.770 19.016 -1.284 1.00 0.00 C ATOM 63 OG1 THR A 5 -13.384 18.155 -2.345 1.00 0.00 O ATOM 64 CG2 THR A 5 -12.599 19.825 -0.700 1.00 0.00 C ATOM 0 HA THR A 5 -14.727 19.178 0.528 1.00 0.00 H new ATOM 0 HB THR A 5 -14.492 19.659 -1.787 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.963 18.681 -3.057 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.073 20.337 -1.506 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.982 20.560 0.008 1.00 0.00 H new ATOM 0 HG23 THR A 5 -11.911 19.152 -0.188 1.00 0.00 H new ATOM 72 N GLU A 6 -16.632 18.435 -1.079 1.00 0.00 N ATOM 73 CA GLU A 6 -17.756 17.923 -1.801 1.00 0.00 C ATOM 74 C GLU A 6 -17.349 17.145 -3.005 1.00 0.00 C ATOM 75 O GLU A 6 -17.987 16.117 -3.225 1.00 0.00 O ATOM 76 CB GLU A 6 -18.729 19.071 -2.119 1.00 0.00 C ATOM 77 CG GLU A 6 -19.953 18.523 -2.854 1.00 0.00 C ATOM 78 CD GLU A 6 -20.896 19.646 -3.263 1.00 0.00 C ATOM 79 OE1 GLU A 6 -20.438 20.576 -3.979 1.00 0.00 O ATOM 80 OE2 GLU A 6 -22.114 19.507 -2.973 1.00 0.00 O ATOM 0 H GLU A 6 -16.588 19.454 -1.077 1.00 0.00 H new ATOM 0 HA GLU A 6 -18.282 17.205 -1.172 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -19.037 19.565 -1.197 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -18.231 19.823 -2.732 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -19.633 17.972 -3.739 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -20.480 17.817 -2.212 1.00 0.00 H new ATOM 87 N GLU A 7 -16.326 17.451 -3.823 1.00 0.00 N ATOM 88 CA GLU A 7 -15.832 16.637 -4.889 1.00 0.00 C ATOM 89 C GLU A 7 -15.102 15.422 -4.426 1.00 0.00 C ATOM 90 O GLU A 7 -15.234 14.318 -4.951 1.00 0.00 O ATOM 91 CB GLU A 7 -14.724 17.388 -5.647 1.00 0.00 C ATOM 92 CG GLU A 7 -15.097 18.850 -5.903 1.00 0.00 C ATOM 93 CD GLU A 7 -13.988 19.644 -6.579 1.00 0.00 C ATOM 94 OE1 GLU A 7 -13.596 19.295 -7.725 1.00 0.00 O ATOM 95 OE2 GLU A 7 -13.645 20.688 -5.964 1.00 0.00 O ATOM 0 H GLU A 7 -15.810 18.326 -3.732 1.00 0.00 H new ATOM 0 HA GLU A 7 -16.721 16.387 -5.469 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -13.798 17.345 -5.073 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.533 16.890 -6.598 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.991 18.886 -6.525 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -15.349 19.325 -4.955 1.00 0.00 H new ATOM 102 N GLN A 8 -14.358 15.548 -3.312 1.00 0.00 N ATOM 103 CA GLN A 8 -13.824 14.402 -2.643 1.00 0.00 C ATOM 104 C GLN A 8 -14.884 13.466 -2.175 1.00 0.00 C ATOM 105 O GLN A 8 -14.778 12.244 -2.275 1.00 0.00 O ATOM 106 CB GLN A 8 -12.887 14.788 -1.486 1.00 0.00 C ATOM 107 CG GLN A 8 -11.628 15.413 -2.091 1.00 0.00 C ATOM 108 CD GLN A 8 -10.742 16.119 -1.074 1.00 0.00 C ATOM 109 OE1 GLN A 8 -11.100 16.240 0.096 1.00 0.00 O ATOM 110 NE2 GLN A 8 -9.568 16.669 -1.485 1.00 0.00 N ATOM 0 H GLN A 8 -14.127 16.440 -2.876 1.00 0.00 H new ATOM 0 HA GLN A 8 -13.231 13.874 -3.389 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -13.379 15.493 -0.815 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.630 13.910 -0.893 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -11.048 14.633 -2.585 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.922 16.127 -2.860 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.270 16.569 -2.455 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.985 17.181 -0.823 1.00 0.00 H new ATOM 119 N ILE A 9 -16.010 13.985 -1.653 1.00 0.00 N ATOM 120 CA ILE A 9 -17.170 13.228 -1.297 1.00 0.00 C ATOM 121 C ILE A 9 -17.885 12.656 -2.473 1.00 0.00 C ATOM 122 O ILE A 9 -18.428 11.552 -2.459 1.00 0.00 O ATOM 123 CB ILE A 9 -18.033 13.875 -0.256 1.00 0.00 C ATOM 124 CG1 ILE A 9 -18.328 13.037 1.000 1.00 0.00 C ATOM 125 CG2 ILE A 9 -19.402 14.343 -0.780 1.00 0.00 C ATOM 126 CD1 ILE A 9 -17.040 12.514 1.634 1.00 0.00 C ATOM 0 H ILE A 9 -16.116 14.983 -1.470 1.00 0.00 H new ATOM 0 HA ILE A 9 -16.797 12.348 -0.773 1.00 0.00 H new ATOM 0 HB ILE A 9 -17.399 14.718 0.018 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -18.872 13.643 1.724 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -18.973 12.199 0.737 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -19.966 14.800 0.033 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -19.257 15.073 -1.576 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -19.954 13.488 -1.169 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -17.283 11.926 2.519 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -16.510 11.888 0.917 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -16.407 13.355 1.919 1.00 0.00 H new ATOM 138 N ALA A 10 -17.965 13.305 -3.648 1.00 0.00 N ATOM 139 CA ALA A 10 -18.524 12.790 -4.859 1.00 0.00 C ATOM 140 C ALA A 10 -17.847 11.567 -5.374 1.00 0.00 C ATOM 141 O ALA A 10 -18.516 10.767 -6.026 1.00 0.00 O ATOM 142 CB ALA A 10 -18.499 13.850 -5.973 1.00 0.00 C ATOM 0 H ALA A 10 -17.614 14.256 -3.758 1.00 0.00 H new ATOM 0 HA ALA A 10 -19.546 12.519 -4.594 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -18.930 13.432 -6.883 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -19.080 14.718 -5.662 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -17.469 14.152 -6.165 1.00 0.00 H new ATOM 148 N GLU A 11 -16.532 11.416 -5.135 1.00 0.00 N ATOM 149 CA GLU A 11 -15.749 10.288 -5.532 1.00 0.00 C ATOM 150 C GLU A 11 -16.192 9.070 -4.797 1.00 0.00 C ATOM 151 O GLU A 11 -16.374 8.013 -5.400 1.00 0.00 O ATOM 152 CB GLU A 11 -14.237 10.550 -5.638 1.00 0.00 C ATOM 153 CG GLU A 11 -13.693 11.501 -6.706 1.00 0.00 C ATOM 154 CD GLU A 11 -12.195 11.467 -6.977 1.00 0.00 C ATOM 155 OE1 GLU A 11 -11.395 12.052 -6.199 1.00 0.00 O ATOM 156 OE2 GLU A 11 -11.868 10.710 -7.930 1.00 0.00 O ATOM 0 H GLU A 11 -15.986 12.120 -4.638 1.00 0.00 H new ATOM 0 HA GLU A 11 -15.955 10.076 -6.581 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.906 10.927 -4.671 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -13.752 9.585 -5.787 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -14.210 11.287 -7.642 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.960 12.518 -6.419 1.00 0.00 H new ATOM 163 N PHE A 12 -16.333 9.213 -3.467 1.00 0.00 N ATOM 164 CA PHE A 12 -16.958 8.206 -2.667 1.00 0.00 C ATOM 165 C PHE A 12 -18.392 7.901 -2.931 1.00 0.00 C ATOM 166 O PHE A 12 -18.868 6.773 -2.815 1.00 0.00 O ATOM 167 CB PHE A 12 -16.829 8.492 -1.161 1.00 0.00 C ATOM 168 CG PHE A 12 -15.395 8.402 -0.766 1.00 0.00 C ATOM 169 CD1 PHE A 12 -14.668 7.236 -0.809 1.00 0.00 C ATOM 170 CD2 PHE A 12 -14.818 9.544 -0.263 1.00 0.00 C ATOM 171 CE1 PHE A 12 -13.323 7.280 -0.529 1.00 0.00 C ATOM 172 CE2 PHE A 12 -13.474 9.570 0.028 1.00 0.00 C ATOM 173 CZ PHE A 12 -12.720 8.424 -0.061 1.00 0.00 C ATOM 0 H PHE A 12 -16.013 10.028 -2.944 1.00 0.00 H new ATOM 0 HA PHE A 12 -16.392 7.328 -2.977 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -17.220 9.483 -0.932 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -17.421 7.776 -0.591 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -15.146 6.300 -1.059 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -15.422 10.424 -0.096 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -12.725 6.394 -0.680 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -13.008 10.497 0.328 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.680 8.422 0.229 1.00 0.00 H new ATOM 183 N LYS A 13 -19.161 8.930 -3.331 1.00 0.00 N ATOM 184 CA LYS A 13 -20.518 8.729 -3.733 1.00 0.00 C ATOM 185 C LYS A 13 -20.657 7.921 -4.977 1.00 0.00 C ATOM 186 O LYS A 13 -21.481 7.008 -5.024 1.00 0.00 O ATOM 187 CB LYS A 13 -21.263 10.045 -4.015 1.00 0.00 C ATOM 188 CG LYS A 13 -22.761 9.760 -4.142 1.00 0.00 C ATOM 189 CD LYS A 13 -23.666 10.983 -3.974 1.00 0.00 C ATOM 190 CE LYS A 13 -23.359 11.963 -5.108 1.00 0.00 C ATOM 191 NZ LYS A 13 -23.745 11.472 -6.450 1.00 0.00 N ATOM 0 H LYS A 13 -18.844 9.898 -3.376 1.00 0.00 H new ATOM 0 HA LYS A 13 -20.948 8.204 -2.880 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -21.084 10.758 -3.210 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -20.888 10.499 -4.932 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -22.950 9.318 -5.120 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -23.039 9.015 -3.396 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -24.715 10.687 -4.001 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -23.493 11.454 -3.007 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -23.877 12.902 -4.913 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -22.291 12.182 -5.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -24.154 12.253 -7.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -22.905 11.105 -6.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -24.449 10.712 -6.353 1.00 0.00 H new ATOM 205 N GLU A 14 -19.885 8.356 -5.989 1.00 0.00 N ATOM 206 CA GLU A 14 -19.807 7.597 -7.198 1.00 0.00 C ATOM 207 C GLU A 14 -19.382 6.178 -7.031 1.00 0.00 C ATOM 208 O GLU A 14 -20.052 5.252 -7.485 1.00 0.00 O ATOM 209 CB GLU A 14 -19.130 8.286 -8.395 1.00 0.00 C ATOM 210 CG GLU A 14 -19.711 9.619 -8.868 1.00 0.00 C ATOM 211 CD GLU A 14 -21.233 9.597 -8.901 1.00 0.00 C ATOM 212 OE1 GLU A 14 -21.699 8.689 -9.641 1.00 0.00 O ATOM 213 OE2 GLU A 14 -21.918 10.344 -8.154 1.00 0.00 O ATOM 0 H GLU A 14 -19.328 9.210 -5.974 1.00 0.00 H new ATOM 0 HA GLU A 14 -20.859 7.555 -7.480 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -18.083 8.448 -8.141 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -19.150 7.593 -9.236 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -19.374 10.417 -8.206 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -19.330 9.848 -9.863 1.00 0.00 H new ATOM 220 N ALA A 15 -18.295 5.980 -6.264 1.00 0.00 N ATOM 221 CA ALA A 15 -17.856 4.632 -6.076 1.00 0.00 C ATOM 222 C ALA A 15 -18.794 3.788 -5.284 1.00 0.00 C ATOM 223 O ALA A 15 -18.888 2.591 -5.548 1.00 0.00 O ATOM 224 CB ALA A 15 -16.428 4.714 -5.510 1.00 0.00 C ATOM 0 H ALA A 15 -17.748 6.704 -5.799 1.00 0.00 H new ATOM 0 HA ALA A 15 -17.846 4.100 -7.027 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.043 3.707 -5.347 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.786 5.238 -6.218 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.442 5.255 -4.564 1.00 0.00 H new ATOM 230 N PHE A 16 -19.590 4.363 -4.365 1.00 0.00 N ATOM 231 CA PHE A 16 -20.601 3.636 -3.662 1.00 0.00 C ATOM 232 C PHE A 16 -21.593 2.995 -4.571 1.00 0.00 C ATOM 233 O PHE A 16 -21.907 1.810 -4.466 1.00 0.00 O ATOM 234 CB PHE A 16 -21.303 4.603 -2.693 1.00 0.00 C ATOM 235 CG PHE A 16 -22.048 3.898 -1.612 1.00 0.00 C ATOM 236 CD1 PHE A 16 -23.305 3.402 -1.865 1.00 0.00 C ATOM 237 CD2 PHE A 16 -21.452 3.726 -0.385 1.00 0.00 C ATOM 238 CE1 PHE A 16 -24.007 2.760 -0.872 1.00 0.00 C ATOM 239 CE2 PHE A 16 -22.092 2.858 0.467 1.00 0.00 C ATOM 240 CZ PHE A 16 -23.413 2.496 0.339 1.00 0.00 C ATOM 0 H PHE A 16 -19.531 5.348 -4.106 1.00 0.00 H new ATOM 0 HA PHE A 16 -20.123 2.821 -3.118 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -20.561 5.264 -2.245 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -21.994 5.233 -3.253 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -23.742 3.517 -2.846 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -20.542 4.238 -0.109 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -25.031 2.462 -1.045 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -21.525 2.436 1.284 1.00 0.00 H new ATOM 0 HZ PHE A 16 -23.955 2.029 1.148 1.00 0.00 H new ATOM 250 N SER A 17 -22.150 3.819 -5.476 1.00 0.00 N ATOM 251 CA SER A 17 -23.226 3.443 -6.338 1.00 0.00 C ATOM 252 C SER A 17 -22.817 2.423 -7.344 1.00 0.00 C ATOM 253 O SER A 17 -23.584 1.534 -7.709 1.00 0.00 O ATOM 254 CB SER A 17 -23.944 4.636 -6.992 1.00 0.00 C ATOM 255 OG SER A 17 -23.985 5.687 -6.037 1.00 0.00 O ATOM 0 H SER A 17 -21.840 4.781 -5.612 1.00 0.00 H new ATOM 0 HA SER A 17 -23.963 2.977 -5.684 1.00 0.00 H new ATOM 0 HB2 SER A 17 -23.416 4.955 -7.891 1.00 0.00 H new ATOM 0 HB3 SER A 17 -24.952 4.356 -7.297 1.00 0.00 H new ATOM 0 HG SER A 17 -24.437 6.465 -6.426 1.00 0.00 H new ATOM 261 N LEU A 18 -21.560 2.486 -7.818 1.00 0.00 N ATOM 262 CA LEU A 18 -20.958 1.388 -8.509 1.00 0.00 C ATOM 263 C LEU A 18 -20.845 0.144 -7.696 1.00 0.00 C ATOM 264 O LEU A 18 -20.964 -0.962 -8.222 1.00 0.00 O ATOM 265 CB LEU A 18 -19.572 1.734 -9.078 1.00 0.00 C ATOM 266 CG LEU A 18 -19.506 2.802 -10.184 1.00 0.00 C ATOM 267 CD1 LEU A 18 -18.032 3.227 -10.303 1.00 0.00 C ATOM 268 CD2 LEU A 18 -19.964 2.135 -11.491 1.00 0.00 C ATOM 0 H LEU A 18 -20.957 3.303 -7.722 1.00 0.00 H new ATOM 0 HA LEU A 18 -21.650 1.191 -9.328 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -18.942 2.065 -8.252 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -19.130 0.817 -9.468 1.00 0.00 H new ATOM 0 HG LEU A 18 -20.133 3.668 -9.972 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -17.934 3.987 -11.078 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -17.693 3.635 -9.351 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -17.424 2.361 -10.564 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -19.931 2.863 -12.302 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -19.303 1.301 -11.725 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -20.984 1.768 -11.374 1.00 0.00 H new ATOM 280 N PHE A 19 -20.743 0.180 -6.356 1.00 0.00 N ATOM 281 CA PHE A 19 -20.733 -1.069 -5.659 1.00 0.00 C ATOM 282 C PHE A 19 -22.097 -1.553 -5.305 1.00 0.00 C ATOM 283 O PHE A 19 -22.427 -2.720 -5.509 1.00 0.00 O ATOM 284 CB PHE A 19 -19.956 -0.984 -4.335 1.00 0.00 C ATOM 285 CG PHE A 19 -18.492 -1.222 -4.482 1.00 0.00 C ATOM 286 CD1 PHE A 19 -18.060 -2.521 -4.612 1.00 0.00 C ATOM 287 CD2 PHE A 19 -17.547 -0.229 -4.590 1.00 0.00 C ATOM 288 CE1 PHE A 19 -16.720 -2.809 -4.731 1.00 0.00 C ATOM 289 CE2 PHE A 19 -16.217 -0.466 -4.843 1.00 0.00 C ATOM 290 CZ PHE A 19 -15.815 -1.781 -4.850 1.00 0.00 C ATOM 0 H PHE A 19 -20.671 1.020 -5.782 1.00 0.00 H new ATOM 0 HA PHE A 19 -20.257 -1.758 -6.357 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -20.112 0.001 -3.895 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -20.365 -1.714 -3.636 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -18.781 -3.325 -4.621 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -17.868 0.795 -4.469 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -16.382 -3.835 -4.731 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -15.522 0.340 -5.027 1.00 0.00 H new ATOM 0 HZ PHE A 19 -14.765 -2.011 -4.951 1.00 0.00 H new ATOM 300 N ASP A 20 -22.917 -0.707 -4.655 1.00 0.00 N ATOM 301 CA ASP A 20 -24.304 -0.971 -4.432 1.00 0.00 C ATOM 302 C ASP A 20 -24.985 -1.385 -5.691 1.00 0.00 C ATOM 303 O ASP A 20 -25.036 -0.691 -6.705 1.00 0.00 O ATOM 304 CB ASP A 20 -24.910 0.325 -3.865 1.00 0.00 C ATOM 305 CG ASP A 20 -26.151 -0.033 -3.060 1.00 0.00 C ATOM 306 OD1 ASP A 20 -26.521 -1.237 -3.057 1.00 0.00 O ATOM 307 OD2 ASP A 20 -26.867 0.879 -2.566 1.00 0.00 O ATOM 0 H ASP A 20 -22.606 0.186 -4.274 1.00 0.00 H new ATOM 0 HA ASP A 20 -24.436 -1.798 -3.734 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -24.184 0.838 -3.234 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -25.168 1.008 -4.674 1.00 0.00 H new ATOM 312 N LYS A 21 -25.549 -2.605 -5.719 1.00 0.00 N ATOM 313 CA LYS A 21 -25.986 -3.231 -6.928 1.00 0.00 C ATOM 314 C LYS A 21 -27.404 -2.917 -7.261 1.00 0.00 C ATOM 315 O LYS A 21 -27.664 -2.246 -8.258 1.00 0.00 O ATOM 316 CB LYS A 21 -25.663 -4.730 -7.049 1.00 0.00 C ATOM 317 CG LYS A 21 -25.726 -5.221 -8.497 1.00 0.00 C ATOM 318 CD LYS A 21 -25.328 -6.698 -8.541 1.00 0.00 C ATOM 319 CE LYS A 21 -25.303 -7.413 -9.893 1.00 0.00 C ATOM 320 NZ LYS A 21 -24.407 -6.666 -10.803 1.00 0.00 N ATOM 0 H LYS A 21 -25.705 -3.169 -4.884 1.00 0.00 H new ATOM 0 HA LYS A 21 -25.368 -2.769 -7.698 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -24.668 -4.919 -6.646 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -26.366 -5.301 -6.443 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -26.732 -5.090 -8.895 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -25.056 -4.632 -9.124 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -24.334 -6.785 -8.103 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -26.012 -7.244 -7.891 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -24.952 -8.438 -9.773 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -26.308 -7.467 -10.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -24.325 -7.176 -11.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -24.799 -5.718 -10.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -23.466 -6.578 -10.369 1.00 0.00 H new ATOM 334 N ASP A 22 -28.255 -3.250 -6.273 1.00 0.00 N ATOM 335 CA ASP A 22 -29.622 -2.830 -6.248 1.00 0.00 C ATOM 336 C ASP A 22 -29.914 -1.379 -6.080 1.00 0.00 C ATOM 337 O ASP A 22 -30.761 -0.716 -6.677 1.00 0.00 O ATOM 338 CB ASP A 22 -30.505 -3.624 -5.271 1.00 0.00 C ATOM 339 CG ASP A 22 -29.972 -3.844 -3.862 1.00 0.00 C ATOM 340 OD1 ASP A 22 -28.863 -3.377 -3.490 1.00 0.00 O ATOM 341 OD2 ASP A 22 -30.671 -4.460 -3.014 1.00 0.00 O ATOM 0 H ASP A 22 -27.987 -3.824 -5.474 1.00 0.00 H new ATOM 0 HA ASP A 22 -29.884 -3.062 -7.280 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -31.464 -3.112 -5.192 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -30.701 -4.601 -5.713 1.00 0.00 H new ATOM 346 N GLY A 23 -29.063 -0.767 -5.236 1.00 0.00 N ATOM 347 CA GLY A 23 -29.166 0.624 -4.922 1.00 0.00 C ATOM 348 C GLY A 23 -30.022 1.017 -3.768 1.00 0.00 C ATOM 349 O GLY A 23 -30.839 1.935 -3.825 1.00 0.00 O ATOM 0 H GLY A 23 -28.294 -1.244 -4.766 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -28.160 1.000 -4.735 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -29.540 1.140 -5.807 1.00 0.00 H new ATOM 353 N ASP A 24 -29.925 0.304 -2.631 1.00 0.00 N ATOM 354 CA ASP A 24 -30.687 0.587 -1.455 1.00 0.00 C ATOM 355 C ASP A 24 -30.068 1.623 -0.581 1.00 0.00 C ATOM 356 O ASP A 24 -30.722 2.354 0.162 1.00 0.00 O ATOM 357 CB ASP A 24 -31.000 -0.697 -0.667 1.00 0.00 C ATOM 358 CG ASP A 24 -29.740 -1.320 -0.083 1.00 0.00 C ATOM 359 OD1 ASP A 24 -28.840 -1.667 -0.894 1.00 0.00 O ATOM 360 OD2 ASP A 24 -29.563 -1.366 1.163 1.00 0.00 O ATOM 0 H ASP A 24 -29.297 -0.493 -2.527 1.00 0.00 H new ATOM 0 HA ASP A 24 -31.628 1.013 -1.804 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -31.700 -0.469 0.137 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -31.491 -1.416 -1.323 1.00 0.00 H new ATOM 365 N GLY A 25 -28.728 1.727 -0.632 1.00 0.00 N ATOM 366 CA GLY A 25 -28.070 2.596 0.293 1.00 0.00 C ATOM 367 C GLY A 25 -27.115 1.817 1.131 1.00 0.00 C ATOM 368 O GLY A 25 -26.326 2.433 1.846 1.00 0.00 O ATOM 0 H GLY A 25 -28.121 1.232 -1.285 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -27.538 3.380 -0.246 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -28.806 3.089 0.928 1.00 0.00 H new ATOM 372 N THR A 26 -27.002 0.478 1.058 1.00 0.00 N ATOM 373 CA THR A 26 -26.000 -0.301 1.715 1.00 0.00 C ATOM 374 C THR A 26 -25.444 -1.398 0.873 1.00 0.00 C ATOM 375 O THR A 26 -26.040 -1.790 -0.129 1.00 0.00 O ATOM 376 CB THR A 26 -26.417 -0.855 3.046 1.00 0.00 C ATOM 377 OG1 THR A 26 -27.563 -1.690 2.977 1.00 0.00 O ATOM 378 CG2 THR A 26 -26.835 0.272 4.006 1.00 0.00 C ATOM 0 H THR A 26 -27.647 -0.091 0.510 1.00 0.00 H new ATOM 0 HA THR A 26 -25.210 0.429 1.895 1.00 0.00 H new ATOM 0 HB THR A 26 -25.545 -1.414 3.385 1.00 0.00 H new ATOM 0 HG1 THR A 26 -28.146 -1.386 2.251 1.00 0.00 H new ATOM 0 HG21 THR A 26 -27.132 -0.157 4.963 1.00 0.00 H new ATOM 0 HG22 THR A 26 -25.996 0.951 4.158 1.00 0.00 H new ATOM 0 HG23 THR A 26 -27.673 0.822 3.578 1.00 0.00 H new ATOM 386 N ILE A 27 -24.265 -1.936 1.233 1.00 0.00 N ATOM 387 CA ILE A 27 -23.592 -2.867 0.382 1.00 0.00 C ATOM 388 C ILE A 27 -23.341 -4.122 1.144 1.00 0.00 C ATOM 389 O ILE A 27 -22.902 -4.058 2.291 1.00 0.00 O ATOM 390 CB ILE A 27 -22.314 -2.328 -0.188 1.00 0.00 C ATOM 391 CG1 ILE A 27 -22.404 -0.812 -0.430 1.00 0.00 C ATOM 392 CG2 ILE A 27 -22.091 -3.059 -1.523 1.00 0.00 C ATOM 393 CD1 ILE A 27 -21.026 -0.227 -0.737 1.00 0.00 C ATOM 0 H ILE A 27 -23.781 -1.728 2.106 1.00 0.00 H new ATOM 0 HA ILE A 27 -24.239 -3.065 -0.473 1.00 0.00 H new ATOM 0 HB ILE A 27 -21.490 -2.491 0.506 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -23.082 -0.612 -1.260 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -22.823 -0.323 0.449 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -21.169 -2.703 -1.983 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -22.016 -4.131 -1.343 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -22.930 -2.861 -2.191 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -21.115 0.846 -0.904 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -20.358 -0.408 0.105 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -20.620 -0.701 -1.631 1.00 0.00 H new ATOM 405 N THR A 28 -23.609 -5.291 0.534 1.00 0.00 N ATOM 406 CA THR A 28 -23.444 -6.546 1.200 1.00 0.00 C ATOM 407 C THR A 28 -22.141 -7.040 0.675 1.00 0.00 C ATOM 408 O THR A 28 -21.478 -6.548 -0.238 1.00 0.00 O ATOM 409 CB THR A 28 -24.519 -7.540 0.871 1.00 0.00 C ATOM 410 OG1 THR A 28 -24.844 -7.706 -0.502 1.00 0.00 O ATOM 411 CG2 THR A 28 -25.859 -7.100 1.484 1.00 0.00 C ATOM 0 H THR A 28 -23.942 -5.367 -0.427 1.00 0.00 H new ATOM 0 HA THR A 28 -23.489 -6.424 2.282 1.00 0.00 H new ATOM 0 HB THR A 28 -24.092 -8.465 1.259 1.00 0.00 H new ATOM 0 HG1 THR A 28 -25.288 -6.898 -0.833 1.00 0.00 H new ATOM 0 HG21 THR A 28 -26.629 -7.831 1.237 1.00 0.00 H new ATOM 0 HG22 THR A 28 -25.758 -7.031 2.567 1.00 0.00 H new ATOM 0 HG23 THR A 28 -26.140 -6.126 1.083 1.00 0.00 H new ATOM 419 N THR A 29 -21.634 -8.117 1.301 1.00 0.00 N ATOM 420 CA THR A 29 -20.453 -8.844 0.952 1.00 0.00 C ATOM 421 C THR A 29 -20.262 -9.270 -0.462 1.00 0.00 C ATOM 422 O THR A 29 -19.214 -8.997 -1.045 1.00 0.00 O ATOM 423 CB THR A 29 -20.208 -10.085 1.757 1.00 0.00 C ATOM 424 OG1 THR A 29 -21.388 -10.850 1.953 1.00 0.00 O ATOM 425 CG2 THR A 29 -19.837 -9.655 3.187 1.00 0.00 C ATOM 0 H THR A 29 -22.092 -8.512 2.123 1.00 0.00 H new ATOM 0 HA THR A 29 -19.747 -8.044 1.175 1.00 0.00 H new ATOM 0 HB THR A 29 -19.450 -10.657 1.223 1.00 0.00 H new ATOM 0 HG1 THR A 29 -21.176 -11.648 2.481 1.00 0.00 H new ATOM 0 HG21 THR A 29 -19.653 -10.540 3.797 1.00 0.00 H new ATOM 0 HG22 THR A 29 -18.938 -9.039 3.160 1.00 0.00 H new ATOM 0 HG23 THR A 29 -20.657 -9.081 3.619 1.00 0.00 H new ATOM 433 N LYS A 30 -21.272 -9.932 -1.056 1.00 0.00 N ATOM 434 CA LYS A 30 -21.263 -10.414 -2.403 1.00 0.00 C ATOM 435 C LYS A 30 -21.295 -9.300 -3.391 1.00 0.00 C ATOM 436 O LYS A 30 -20.756 -9.483 -4.482 1.00 0.00 O ATOM 437 CB LYS A 30 -22.502 -11.301 -2.606 1.00 0.00 C ATOM 438 CG LYS A 30 -23.806 -10.512 -2.471 1.00 0.00 C ATOM 439 CD LYS A 30 -24.951 -11.512 -2.297 1.00 0.00 C ATOM 440 CE LYS A 30 -26.346 -11.102 -1.820 1.00 0.00 C ATOM 441 NZ LYS A 30 -26.264 -10.156 -0.684 1.00 0.00 N ATOM 0 H LYS A 30 -22.143 -10.142 -0.569 1.00 0.00 H new ATOM 0 HA LYS A 30 -20.342 -10.975 -2.564 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -22.459 -11.762 -3.593 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -22.491 -12.110 -1.875 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -23.756 -9.838 -1.616 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -23.971 -9.895 -3.354 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -25.085 -12.001 -3.262 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -24.596 -12.272 -1.601 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -26.894 -10.641 -2.642 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -26.906 -11.988 -1.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -27.222 -9.855 -0.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -25.806 -10.623 0.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -25.706 -9.324 -0.964 1.00 0.00 H new ATOM 455 N GLU A 31 -21.886 -8.118 -3.140 1.00 0.00 N ATOM 456 CA GLU A 31 -21.830 -6.930 -3.933 1.00 0.00 C ATOM 457 C GLU A 31 -20.454 -6.358 -3.951 1.00 0.00 C ATOM 458 O GLU A 31 -19.927 -5.926 -4.975 1.00 0.00 O ATOM 459 CB GLU A 31 -22.856 -5.957 -3.328 1.00 0.00 C ATOM 460 CG GLU A 31 -24.346 -6.285 -3.449 1.00 0.00 C ATOM 461 CD GLU A 31 -25.253 -5.245 -2.807 1.00 0.00 C ATOM 462 OE1 GLU A 31 -25.719 -4.283 -3.474 1.00 0.00 O ATOM 463 OE2 GLU A 31 -25.623 -5.386 -1.611 1.00 0.00 O ATOM 0 H GLU A 31 -22.455 -7.984 -2.304 1.00 0.00 H new ATOM 0 HA GLU A 31 -22.072 -7.136 -4.976 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -22.626 -5.853 -2.268 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -22.695 -4.981 -3.786 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -24.604 -6.379 -4.504 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -24.535 -7.254 -2.987 1.00 0.00 H new ATOM 470 N LEU A 32 -19.791 -6.370 -2.781 1.00 0.00 N ATOM 471 CA LEU A 32 -18.417 -5.978 -2.711 1.00 0.00 C ATOM 472 C LEU A 32 -17.532 -6.886 -3.493 1.00 0.00 C ATOM 473 O LEU A 32 -16.803 -6.417 -4.364 1.00 0.00 O ATOM 474 CB LEU A 32 -17.997 -5.798 -1.242 1.00 0.00 C ATOM 475 CG LEU A 32 -18.493 -4.602 -0.412 1.00 0.00 C ATOM 476 CD1 LEU A 32 -17.619 -4.424 0.841 1.00 0.00 C ATOM 477 CD2 LEU A 32 -18.539 -3.210 -1.064 1.00 0.00 C ATOM 0 H LEU A 32 -20.202 -6.649 -1.890 1.00 0.00 H new ATOM 0 HA LEU A 32 -18.299 -5.008 -3.193 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -18.300 -6.701 -0.712 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -16.908 -5.768 -1.224 1.00 0.00 H new ATOM 0 HG LEU A 32 -19.528 -4.894 -0.233 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -17.981 -3.574 1.419 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -17.669 -5.326 1.451 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.586 -4.246 0.542 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -18.912 -2.483 -0.343 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -17.537 -2.924 -1.383 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -19.201 -3.235 -1.929 1.00 0.00 H new ATOM 489 N GLY A 33 -17.514 -8.203 -3.221 1.00 0.00 N ATOM 490 CA GLY A 33 -16.792 -9.289 -3.808 1.00 0.00 C ATOM 491 C GLY A 33 -16.649 -9.213 -5.290 1.00 0.00 C ATOM 492 O GLY A 33 -15.570 -9.348 -5.864 1.00 0.00 O ATOM 0 H GLY A 33 -18.104 -8.554 -2.466 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.798 -9.330 -3.362 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.294 -10.222 -3.552 1.00 0.00 H new ATOM 496 N THR A 34 -17.756 -9.064 -6.039 1.00 0.00 N ATOM 497 CA THR A 34 -17.911 -9.034 -7.461 1.00 0.00 C ATOM 498 C THR A 34 -17.183 -7.916 -8.124 1.00 0.00 C ATOM 499 O THR A 34 -16.338 -8.010 -9.012 1.00 0.00 O ATOM 500 CB THR A 34 -19.356 -8.932 -7.850 1.00 0.00 C ATOM 501 OG1 THR A 34 -20.157 -8.124 -7.001 1.00 0.00 O ATOM 502 CG2 THR A 34 -19.889 -10.374 -7.807 1.00 0.00 C ATOM 0 H THR A 34 -18.661 -8.950 -5.582 1.00 0.00 H new ATOM 0 HA THR A 34 -17.479 -9.975 -7.802 1.00 0.00 H new ATOM 0 HB THR A 34 -19.414 -8.451 -8.826 1.00 0.00 H new ATOM 0 HG1 THR A 34 -20.460 -8.655 -6.235 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.944 -10.380 -8.081 1.00 0.00 H new ATOM 0 HG22 THR A 34 -19.328 -10.990 -8.510 1.00 0.00 H new ATOM 0 HG23 THR A 34 -19.773 -10.775 -6.800 1.00 0.00 H new ATOM 510 N VAL A 35 -17.599 -6.706 -7.707 1.00 0.00 N ATOM 511 CA VAL A 35 -17.026 -5.481 -8.171 1.00 0.00 C ATOM 512 C VAL A 35 -15.572 -5.352 -7.871 1.00 0.00 C ATOM 513 O VAL A 35 -14.763 -4.823 -8.632 1.00 0.00 O ATOM 514 CB VAL A 35 -17.849 -4.303 -7.742 1.00 0.00 C ATOM 515 CG1 VAL A 35 -17.289 -2.931 -8.155 1.00 0.00 C ATOM 516 CG2 VAL A 35 -19.045 -4.555 -8.676 1.00 0.00 C ATOM 0 H VAL A 35 -18.352 -6.577 -7.031 1.00 0.00 H new ATOM 0 HA VAL A 35 -17.061 -5.502 -9.260 1.00 0.00 H new ATOM 0 HB VAL A 35 -17.975 -4.250 -6.661 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -17.954 -2.144 -7.799 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -16.300 -2.795 -7.718 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -17.216 -2.880 -9.241 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -19.796 -3.780 -8.523 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -18.708 -4.534 -9.712 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -19.479 -5.530 -8.456 1.00 0.00 H new ATOM 526 N MET A 36 -15.120 -5.886 -6.722 1.00 0.00 N ATOM 527 CA MET A 36 -13.720 -6.018 -6.461 1.00 0.00 C ATOM 528 C MET A 36 -13.046 -6.994 -7.362 1.00 0.00 C ATOM 529 O MET A 36 -11.975 -6.668 -7.871 1.00 0.00 O ATOM 530 CB MET A 36 -13.539 -6.401 -4.982 1.00 0.00 C ATOM 531 CG MET A 36 -13.640 -5.199 -4.041 1.00 0.00 C ATOM 532 SD MET A 36 -14.004 -5.657 -2.319 1.00 0.00 S ATOM 533 CE MET A 36 -14.298 -3.957 -1.750 1.00 0.00 C ATOM 0 H MET A 36 -15.724 -6.226 -5.974 1.00 0.00 H new ATOM 0 HA MET A 36 -13.239 -5.062 -6.666 1.00 0.00 H new ATOM 0 HB2 MET A 36 -14.295 -7.136 -4.707 1.00 0.00 H new ATOM 0 HB3 MET A 36 -12.568 -6.878 -4.851 1.00 0.00 H new ATOM 0 HG2 MET A 36 -12.702 -4.644 -4.071 1.00 0.00 H new ATOM 0 HG3 MET A 36 -14.419 -4.528 -4.403 1.00 0.00 H new ATOM 0 HE1 MET A 36 -14.548 -3.967 -0.689 1.00 0.00 H new ATOM 0 HE2 MET A 36 -13.399 -3.361 -1.906 1.00 0.00 H new ATOM 0 HE3 MET A 36 -15.124 -3.522 -2.313 1.00 0.00 H new ATOM 543 N ARG A 37 -13.635 -8.158 -7.692 1.00 0.00 N ATOM 544 CA ARG A 37 -13.074 -8.952 -8.741 1.00 0.00 C ATOM 545 C ARG A 37 -12.897 -8.261 -10.049 1.00 0.00 C ATOM 546 O ARG A 37 -12.030 -8.656 -10.828 1.00 0.00 O ATOM 547 CB ARG A 37 -13.877 -10.253 -8.910 1.00 0.00 C ATOM 548 CG ARG A 37 -13.687 -11.279 -7.791 1.00 0.00 C ATOM 549 CD ARG A 37 -12.357 -12.017 -7.958 1.00 0.00 C ATOM 550 NE ARG A 37 -12.326 -13.112 -6.949 1.00 0.00 N ATOM 551 CZ ARG A 37 -11.445 -14.155 -6.952 1.00 0.00 C ATOM 552 NH1 ARG A 37 -10.727 -14.446 -8.076 1.00 0.00 N ATOM 553 NH2 ARG A 37 -11.306 -14.907 -5.822 1.00 0.00 N ATOM 0 H ARG A 37 -14.471 -8.540 -7.250 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.057 -9.173 -8.416 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -14.936 -10.003 -8.977 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -13.598 -10.714 -9.857 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -13.712 -10.779 -6.823 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -14.510 -11.994 -7.802 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -12.266 -12.421 -8.966 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -11.519 -11.336 -7.811 1.00 0.00 H new ATOM 0 HE ARG A 37 -13.016 -13.080 -6.198 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -10.848 -13.883 -8.918 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -10.070 -15.226 -8.074 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -11.856 -14.686 -4.992 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -10.652 -15.690 -5.808 1.00 0.00 H new ATOM 567 N SER A 38 -13.743 -7.267 -10.373 1.00 0.00 N ATOM 568 CA SER A 38 -13.726 -6.669 -11.671 1.00 0.00 C ATOM 569 C SER A 38 -12.651 -5.657 -11.877 1.00 0.00 C ATOM 570 O SER A 38 -12.264 -5.271 -12.979 1.00 0.00 O ATOM 571 CB SER A 38 -15.138 -6.305 -12.159 1.00 0.00 C ATOM 572 OG SER A 38 -15.123 -6.309 -13.579 1.00 0.00 O ATOM 0 H SER A 38 -14.438 -6.878 -9.736 1.00 0.00 H new ATOM 0 HA SER A 38 -13.402 -7.439 -12.372 1.00 0.00 H new ATOM 0 HB2 SER A 38 -15.868 -7.022 -11.783 1.00 0.00 H new ATOM 0 HB3 SER A 38 -15.431 -5.325 -11.783 1.00 0.00 H new ATOM 0 HG SER A 38 -16.014 -6.081 -13.916 1.00 0.00 H new ATOM 578 N LEU A 39 -12.169 -5.104 -10.750 1.00 0.00 N ATOM 579 CA LEU A 39 -11.064 -4.230 -10.502 1.00 0.00 C ATOM 580 C LEU A 39 -9.771 -4.969 -10.483 1.00 0.00 C ATOM 581 O LEU A 39 -8.757 -4.414 -10.062 1.00 0.00 O ATOM 582 CB LEU A 39 -11.214 -3.453 -9.184 1.00 0.00 C ATOM 583 CG LEU A 39 -12.457 -2.583 -8.930 1.00 0.00 C ATOM 584 CD1 LEU A 39 -12.423 -2.166 -7.450 1.00 0.00 C ATOM 585 CD2 LEU A 39 -12.575 -1.439 -9.952 1.00 0.00 C ATOM 0 H LEU A 39 -12.640 -5.310 -9.869 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.062 -3.518 -11.327 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -11.158 -4.180 -8.374 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -10.343 -2.805 -9.091 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.383 -3.135 -9.093 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -13.291 -1.545 -7.227 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.442 -3.056 -6.821 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.512 -1.601 -7.252 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -13.466 -0.849 -9.737 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.693 -0.801 -9.888 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -12.649 -1.855 -10.957 1.00 0.00 H new ATOM 597 N GLY A 40 -9.835 -6.282 -10.767 1.00 0.00 N ATOM 598 CA GLY A 40 -8.729 -7.153 -11.022 1.00 0.00 C ATOM 599 C GLY A 40 -8.225 -7.709 -9.735 1.00 0.00 C ATOM 600 O GLY A 40 -7.147 -8.294 -9.646 1.00 0.00 O ATOM 0 H GLY A 40 -10.728 -6.771 -10.822 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.036 -7.962 -11.684 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.934 -6.608 -11.531 1.00 0.00 H new ATOM 604 N GLN A 41 -8.977 -7.641 -8.622 1.00 0.00 N ATOM 605 CA GLN A 41 -8.568 -8.053 -7.315 1.00 0.00 C ATOM 606 C GLN A 41 -8.830 -9.512 -7.168 1.00 0.00 C ATOM 607 O GLN A 41 -9.359 -10.149 -8.078 1.00 0.00 O ATOM 608 CB GLN A 41 -9.205 -7.164 -6.234 1.00 0.00 C ATOM 609 CG GLN A 41 -8.986 -5.662 -6.429 1.00 0.00 C ATOM 610 CD GLN A 41 -7.498 -5.377 -6.582 1.00 0.00 C ATOM 611 OE1 GLN A 41 -6.691 -5.742 -5.729 1.00 0.00 O ATOM 612 NE2 GLN A 41 -7.095 -4.775 -7.732 1.00 0.00 N ATOM 0 H GLN A 41 -9.929 -7.276 -8.636 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.496 -7.914 -7.178 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.277 -7.360 -6.207 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.803 -7.453 -5.263 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.525 -5.318 -7.312 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.386 -5.113 -5.577 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.785 -4.482 -8.423 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.102 -4.616 -7.904 1.00 0.00 H new ATOM 621 N ASN A 42 -8.654 -10.016 -5.933 1.00 0.00 N ATOM 622 CA ASN A 42 -8.969 -11.367 -5.588 1.00 0.00 C ATOM 623 C ASN A 42 -9.534 -11.463 -4.212 1.00 0.00 C ATOM 624 O ASN A 42 -8.790 -11.986 -3.384 1.00 0.00 O ATOM 625 CB ASN A 42 -7.716 -12.259 -5.613 1.00 0.00 C ATOM 626 CG ASN A 42 -7.055 -12.408 -6.976 1.00 0.00 C ATOM 627 OD1 ASN A 42 -7.438 -13.253 -7.783 1.00 0.00 O ATOM 628 ND2 ASN A 42 -5.961 -11.650 -7.256 1.00 0.00 N ATOM 0 H ASN A 42 -8.283 -9.470 -5.155 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.697 -11.701 -6.327 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.985 -11.851 -4.915 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.987 -13.250 -5.248 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.460 -11.783 -8.134 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.642 -10.949 -6.588 1.00 0.00 H new ATOM 635 N PRO A 43 -10.726 -11.151 -3.800 1.00 0.00 N ATOM 636 CA PRO A 43 -11.231 -11.457 -2.493 1.00 0.00 C ATOM 637 C PRO A 43 -11.442 -12.926 -2.364 1.00 0.00 C ATOM 638 O PRO A 43 -11.647 -13.624 -3.356 1.00 0.00 O ATOM 639 CB PRO A 43 -12.562 -10.724 -2.336 1.00 0.00 C ATOM 640 CG PRO A 43 -12.624 -9.741 -3.516 1.00 0.00 C ATOM 641 CD PRO A 43 -11.704 -10.390 -4.563 1.00 0.00 C ATOM 0 HA PRO A 43 -10.526 -11.144 -1.723 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -13.400 -11.421 -2.360 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -12.612 -10.198 -1.383 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -13.641 -9.625 -3.890 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -12.274 -8.749 -3.232 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -12.268 -11.037 -5.234 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -11.219 -9.635 -5.181 1.00 0.00 H new ATOM 649 N THR A 44 -11.578 -13.484 -1.148 1.00 0.00 N ATOM 650 CA THR A 44 -12.357 -14.649 -0.863 1.00 0.00 C ATOM 651 C THR A 44 -13.370 -14.152 0.110 1.00 0.00 C ATOM 652 O THR A 44 -13.207 -13.150 0.804 1.00 0.00 O ATOM 653 CB THR A 44 -11.654 -15.810 -0.225 1.00 0.00 C ATOM 654 OG1 THR A 44 -10.954 -15.474 0.964 1.00 0.00 O ATOM 655 CG2 THR A 44 -10.656 -16.455 -1.202 1.00 0.00 C ATOM 0 H THR A 44 -11.120 -13.102 -0.320 1.00 0.00 H new ATOM 0 HA THR A 44 -12.716 -15.052 -1.810 1.00 0.00 H new ATOM 0 HB THR A 44 -12.448 -16.508 0.039 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.380 -14.697 0.797 1.00 0.00 H new ATOM 0 HG21 THR A 44 -10.160 -17.294 -0.714 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.189 -16.811 -2.084 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.911 -15.717 -1.501 1.00 0.00 H new ATOM 663 N GLU A 45 -14.516 -14.856 0.138 1.00 0.00 N ATOM 664 CA GLU A 45 -15.555 -14.799 1.120 1.00 0.00 C ATOM 665 C GLU A 45 -15.161 -14.634 2.547 1.00 0.00 C ATOM 666 O GLU A 45 -15.754 -13.804 3.234 1.00 0.00 O ATOM 667 CB GLU A 45 -16.437 -16.048 0.954 1.00 0.00 C ATOM 668 CG GLU A 45 -16.944 -16.098 -0.489 1.00 0.00 C ATOM 669 CD GLU A 45 -16.179 -16.951 -1.491 1.00 0.00 C ATOM 670 OE1 GLU A 45 -14.974 -16.742 -1.793 1.00 0.00 O ATOM 671 OE2 GLU A 45 -16.755 -17.984 -1.924 1.00 0.00 O ATOM 0 H GLU A 45 -14.734 -15.528 -0.598 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.080 -13.866 0.914 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.867 -16.948 1.186 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.276 -16.014 1.649 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.974 -16.453 -0.468 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.966 -15.077 -0.870 1.00 0.00 H new ATOM 678 N ALA A 46 -14.104 -15.348 2.975 1.00 0.00 N ATOM 679 CA ALA A 46 -13.512 -15.220 4.270 1.00 0.00 C ATOM 680 C ALA A 46 -12.810 -13.919 4.455 1.00 0.00 C ATOM 681 O ALA A 46 -13.057 -13.335 5.509 1.00 0.00 O ATOM 682 CB ALA A 46 -12.601 -16.419 4.580 1.00 0.00 C ATOM 0 H ALA A 46 -13.642 -16.046 2.392 1.00 0.00 H new ATOM 0 HA ALA A 46 -14.325 -15.225 4.996 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.163 -16.297 5.571 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.187 -17.338 4.553 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.806 -16.474 3.836 1.00 0.00 H new ATOM 688 N GLU A 47 -12.017 -13.395 3.503 1.00 0.00 N ATOM 689 CA GLU A 47 -11.378 -12.116 3.535 1.00 0.00 C ATOM 690 C GLU A 47 -12.431 -11.064 3.596 1.00 0.00 C ATOM 691 O GLU A 47 -12.352 -10.194 4.463 1.00 0.00 O ATOM 692 CB GLU A 47 -10.462 -11.798 2.341 1.00 0.00 C ATOM 693 CG GLU A 47 -9.137 -12.563 2.370 1.00 0.00 C ATOM 694 CD GLU A 47 -8.541 -12.793 0.989 1.00 0.00 C ATOM 695 OE1 GLU A 47 -9.131 -13.574 0.195 1.00 0.00 O ATOM 696 OE2 GLU A 47 -7.480 -12.198 0.661 1.00 0.00 O ATOM 0 H GLU A 47 -11.808 -13.906 2.646 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.732 -12.138 4.412 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.989 -12.033 1.416 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.255 -10.728 2.327 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.421 -12.011 2.979 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.293 -13.526 2.855 1.00 0.00 H new ATOM 703 N LEU A 48 -13.496 -11.213 2.788 1.00 0.00 N ATOM 704 CA LEU A 48 -14.631 -10.346 2.867 1.00 0.00 C ATOM 705 C LEU A 48 -15.416 -10.335 4.134 1.00 0.00 C ATOM 706 O LEU A 48 -15.829 -9.299 4.652 1.00 0.00 O ATOM 707 CB LEU A 48 -15.717 -10.709 1.840 1.00 0.00 C ATOM 708 CG LEU A 48 -15.353 -10.432 0.372 1.00 0.00 C ATOM 709 CD1 LEU A 48 -16.118 -11.336 -0.609 1.00 0.00 C ATOM 710 CD2 LEU A 48 -15.605 -8.948 0.055 1.00 0.00 C ATOM 0 H LEU A 48 -13.571 -11.939 2.075 1.00 0.00 H new ATOM 0 HA LEU A 48 -14.128 -9.390 2.721 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.953 -11.768 1.945 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.623 -10.155 2.083 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.296 -10.664 0.242 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -15.822 -11.097 -1.630 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -15.886 -12.380 -0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -17.190 -11.173 -0.494 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -15.348 -8.749 -0.985 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -16.657 -8.714 0.220 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -14.989 -8.327 0.706 1.00 0.00 H new ATOM 722 N GLN A 49 -15.584 -11.487 4.808 1.00 0.00 N ATOM 723 CA GLN A 49 -16.079 -11.531 6.149 1.00 0.00 C ATOM 724 C GLN A 49 -15.209 -10.777 7.094 1.00 0.00 C ATOM 725 O GLN A 49 -15.733 -9.984 7.875 1.00 0.00 O ATOM 726 CB GLN A 49 -16.254 -12.950 6.714 1.00 0.00 C ATOM 727 CG GLN A 49 -17.026 -12.936 8.035 1.00 0.00 C ATOM 728 CD GLN A 49 -17.561 -14.318 8.379 1.00 0.00 C ATOM 729 OE1 GLN A 49 -17.288 -15.276 7.658 1.00 0.00 O ATOM 730 NE2 GLN A 49 -18.366 -14.339 9.475 1.00 0.00 N ATOM 0 H GLN A 49 -15.372 -12.404 4.415 1.00 0.00 H new ATOM 0 HA GLN A 49 -17.062 -11.066 6.072 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -16.783 -13.569 5.989 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -15.275 -13.405 6.868 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -16.374 -12.587 8.836 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -17.854 -12.230 7.967 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -18.527 -13.483 10.006 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -18.808 -15.211 9.766 1.00 0.00 H new ATOM 739 N ASP A 50 -13.880 -10.970 7.012 1.00 0.00 N ATOM 740 CA ASP A 50 -12.921 -10.292 7.828 1.00 0.00 C ATOM 741 C ASP A 50 -12.997 -8.818 7.627 1.00 0.00 C ATOM 742 O ASP A 50 -12.964 -8.109 8.632 1.00 0.00 O ATOM 743 CB ASP A 50 -11.531 -10.833 7.453 1.00 0.00 C ATOM 744 CG ASP A 50 -10.330 -10.245 8.180 1.00 0.00 C ATOM 745 OD1 ASP A 50 -10.053 -10.761 9.296 1.00 0.00 O ATOM 746 OD2 ASP A 50 -9.660 -9.260 7.768 1.00 0.00 O ATOM 0 H ASP A 50 -13.458 -11.623 6.352 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.124 -10.474 8.883 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.532 -11.910 7.621 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.386 -10.678 6.384 1.00 0.00 H new ATOM 751 N MET A 51 -13.119 -8.386 6.359 1.00 0.00 N ATOM 752 CA MET A 51 -13.278 -7.010 6.003 1.00 0.00 C ATOM 753 C MET A 51 -14.478 -6.397 6.639 1.00 0.00 C ATOM 754 O MET A 51 -14.343 -5.287 7.152 1.00 0.00 O ATOM 755 CB MET A 51 -13.182 -6.968 4.469 1.00 0.00 C ATOM 756 CG MET A 51 -13.457 -5.620 3.798 1.00 0.00 C ATOM 757 SD MET A 51 -13.683 -5.541 1.996 1.00 0.00 S ATOM 758 CE MET A 51 -12.009 -5.919 1.403 1.00 0.00 C ATOM 0 H MET A 51 -13.107 -9.014 5.556 1.00 0.00 H new ATOM 0 HA MET A 51 -12.497 -6.363 6.401 1.00 0.00 H new ATOM 0 HB2 MET A 51 -12.182 -7.293 4.182 1.00 0.00 H new ATOM 0 HB3 MET A 51 -13.883 -7.698 4.064 1.00 0.00 H new ATOM 0 HG2 MET A 51 -14.354 -5.205 4.257 1.00 0.00 H new ATOM 0 HG3 MET A 51 -12.631 -4.955 4.052 1.00 0.00 H new ATOM 0 HE1 MET A 51 -11.997 -5.905 0.313 1.00 0.00 H new ATOM 0 HE2 MET A 51 -11.311 -5.173 1.783 1.00 0.00 H new ATOM 0 HE3 MET A 51 -11.712 -6.906 1.757 1.00 0.00 H new ATOM 768 N ILE A 52 -15.625 -7.099 6.635 1.00 0.00 N ATOM 769 CA ILE A 52 -16.819 -6.735 7.332 1.00 0.00 C ATOM 770 C ILE A 52 -16.573 -6.691 8.801 1.00 0.00 C ATOM 771 O ILE A 52 -17.029 -5.803 9.519 1.00 0.00 O ATOM 772 CB ILE A 52 -17.965 -7.608 6.914 1.00 0.00 C ATOM 773 CG1 ILE A 52 -18.842 -7.006 5.802 1.00 0.00 C ATOM 774 CG2 ILE A 52 -18.911 -7.957 8.075 1.00 0.00 C ATOM 775 CD1 ILE A 52 -18.033 -6.601 4.571 1.00 0.00 C ATOM 0 H ILE A 52 -15.724 -7.971 6.115 1.00 0.00 H new ATOM 0 HA ILE A 52 -17.115 -5.723 7.057 1.00 0.00 H new ATOM 0 HB ILE A 52 -17.461 -8.500 6.542 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -19.602 -7.731 5.511 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -19.367 -6.133 6.191 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -19.719 -8.590 7.708 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -18.357 -8.488 8.849 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -19.329 -7.041 8.492 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -18.701 -6.183 3.818 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -17.291 -5.854 4.853 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -17.529 -7.477 4.162 1.00 0.00 H new ATOM 787 N ASN A 53 -15.894 -7.693 9.387 1.00 0.00 N ATOM 788 CA ASN A 53 -15.614 -7.784 10.786 1.00 0.00 C ATOM 789 C ASN A 53 -14.782 -6.675 11.333 1.00 0.00 C ATOM 790 O ASN A 53 -14.964 -6.233 12.466 1.00 0.00 O ATOM 791 CB ASN A 53 -14.998 -9.170 11.038 1.00 0.00 C ATOM 792 CG ASN A 53 -15.008 -9.518 12.520 1.00 0.00 C ATOM 793 OD1 ASN A 53 -13.959 -9.825 13.083 1.00 0.00 O ATOM 794 ND2 ASN A 53 -16.196 -9.536 13.182 1.00 0.00 N ATOM 0 H ASN A 53 -15.521 -8.481 8.857 1.00 0.00 H new ATOM 0 HA ASN A 53 -16.549 -7.669 11.334 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -15.554 -9.924 10.481 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -13.974 -9.189 10.665 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -16.228 -9.808 14.165 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -17.055 -9.278 12.696 1.00 0.00 H new ATOM 801 N GLU A 54 -13.889 -6.172 10.462 1.00 0.00 N ATOM 802 CA GLU A 54 -13.061 -5.048 10.771 1.00 0.00 C ATOM 803 C GLU A 54 -13.840 -3.779 10.839 1.00 0.00 C ATOM 804 O GLU A 54 -13.783 -2.993 11.784 1.00 0.00 O ATOM 805 CB GLU A 54 -11.861 -4.901 9.821 1.00 0.00 C ATOM 806 CG GLU A 54 -10.816 -3.854 10.215 1.00 0.00 C ATOM 807 CD GLU A 54 -9.625 -3.737 9.275 1.00 0.00 C ATOM 808 OE1 GLU A 54 -9.871 -3.398 8.087 1.00 0.00 O ATOM 809 OE2 GLU A 54 -8.471 -3.895 9.754 1.00 0.00 O ATOM 0 H GLU A 54 -13.739 -6.552 9.527 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.657 -5.250 11.763 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.365 -5.868 9.742 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.237 -4.654 8.828 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.305 -2.882 10.277 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.448 -4.090 11.213 1.00 0.00 H new ATOM 816 N VAL A 55 -14.560 -3.587 9.720 1.00 0.00 N ATOM 817 CA VAL A 55 -15.100 -2.274 9.547 1.00 0.00 C ATOM 818 C VAL A 55 -16.405 -1.936 10.181 1.00 0.00 C ATOM 819 O VAL A 55 -16.706 -0.818 10.598 1.00 0.00 O ATOM 820 CB VAL A 55 -15.045 -2.080 8.061 1.00 0.00 C ATOM 821 CG1 VAL A 55 -16.212 -2.718 7.288 1.00 0.00 C ATOM 822 CG2 VAL A 55 -14.823 -0.585 7.778 1.00 0.00 C ATOM 0 H VAL A 55 -14.758 -4.273 8.992 1.00 0.00 H new ATOM 0 HA VAL A 55 -14.509 -1.555 10.115 1.00 0.00 H new ATOM 0 HB VAL A 55 -14.197 -2.638 7.664 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -16.090 -2.527 6.222 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -16.221 -3.793 7.466 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -17.153 -2.286 7.628 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -14.780 -0.421 6.701 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -15.646 -0.009 8.200 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -13.885 -0.264 8.232 1.00 0.00 H new ATOM 832 N ASP A 56 -17.224 -2.990 10.351 1.00 0.00 N ATOM 833 CA ASP A 56 -18.540 -2.938 10.908 1.00 0.00 C ATOM 834 C ASP A 56 -18.428 -2.914 12.393 1.00 0.00 C ATOM 835 O ASP A 56 -18.536 -3.843 13.192 1.00 0.00 O ATOM 836 CB ASP A 56 -19.487 -4.074 10.487 1.00 0.00 C ATOM 837 CG ASP A 56 -20.985 -3.831 10.611 1.00 0.00 C ATOM 838 OD1 ASP A 56 -21.567 -3.194 9.693 1.00 0.00 O ATOM 839 OD2 ASP A 56 -21.546 -4.261 11.654 1.00 0.00 O ATOM 0 H ASP A 56 -16.950 -3.935 10.083 1.00 0.00 H new ATOM 0 HA ASP A 56 -18.994 -2.031 10.509 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -19.273 -4.321 9.447 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -19.240 -4.954 11.081 1.00 0.00 H new ATOM 844 N ALA A 57 -18.213 -1.732 12.999 1.00 0.00 N ATOM 845 CA ALA A 57 -18.272 -1.451 14.400 1.00 0.00 C ATOM 846 C ALA A 57 -19.548 -0.907 14.944 1.00 0.00 C ATOM 847 O ALA A 57 -19.773 -0.890 16.153 1.00 0.00 O ATOM 848 CB ALA A 57 -17.066 -0.503 14.515 1.00 0.00 C ATOM 0 H ALA A 57 -17.977 -0.900 12.458 1.00 0.00 H new ATOM 0 HA ALA A 57 -18.236 -2.349 15.017 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -16.956 -0.178 15.550 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -16.162 -1.024 14.200 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -17.224 0.366 13.877 1.00 0.00 H new ATOM 854 N ASP A 58 -20.472 -0.529 14.042 1.00 0.00 N ATOM 855 CA ASP A 58 -21.812 -0.122 14.329 1.00 0.00 C ATOM 856 C ASP A 58 -22.723 -1.235 14.719 1.00 0.00 C ATOM 857 O ASP A 58 -23.437 -1.120 15.714 1.00 0.00 O ATOM 858 CB ASP A 58 -22.338 0.720 13.155 1.00 0.00 C ATOM 859 CG ASP A 58 -22.335 -0.010 11.819 1.00 0.00 C ATOM 860 OD1 ASP A 58 -21.367 -0.741 11.478 1.00 0.00 O ATOM 861 OD2 ASP A 58 -23.259 0.201 10.989 1.00 0.00 O ATOM 0 H ASP A 58 -20.267 -0.507 13.043 1.00 0.00 H new ATOM 0 HA ASP A 58 -21.791 0.496 15.227 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -23.355 1.042 13.379 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -21.731 1.621 13.067 1.00 0.00 H new ATOM 866 N GLY A 59 -22.648 -2.373 14.006 1.00 0.00 N ATOM 867 CA GLY A 59 -23.266 -3.606 14.386 1.00 0.00 C ATOM 868 C GLY A 59 -24.368 -4.109 13.519 1.00 0.00 C ATOM 869 O GLY A 59 -25.468 -4.407 13.980 1.00 0.00 O ATOM 0 H GLY A 59 -22.135 -2.437 13.127 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -22.493 -4.373 14.429 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -23.657 -3.491 15.397 1.00 0.00 H new ATOM 873 N ASN A 60 -24.226 -4.253 12.189 1.00 0.00 N ATOM 874 CA ASN A 60 -25.250 -4.807 11.359 1.00 0.00 C ATOM 875 C ASN A 60 -24.825 -5.859 10.392 1.00 0.00 C ATOM 876 O ASN A 60 -25.474 -6.886 10.200 1.00 0.00 O ATOM 877 CB ASN A 60 -25.987 -3.670 10.632 1.00 0.00 C ATOM 878 CG ASN A 60 -25.093 -2.475 10.330 1.00 0.00 C ATOM 879 OD1 ASN A 60 -24.101 -2.321 9.619 1.00 0.00 O ATOM 880 ND2 ASN A 60 -25.472 -1.343 10.981 1.00 0.00 N ATOM 0 H ASN A 60 -23.385 -3.980 11.681 1.00 0.00 H new ATOM 0 HA ASN A 60 -25.910 -5.340 12.043 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -26.401 -4.052 9.699 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -26.828 -3.342 11.243 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -24.945 -0.480 10.852 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -26.284 -1.357 11.598 1.00 0.00 H new ATOM 887 N GLY A 61 -23.668 -5.638 9.742 1.00 0.00 N ATOM 888 CA GLY A 61 -23.146 -6.452 8.689 1.00 0.00 C ATOM 889 C GLY A 61 -22.869 -5.649 7.464 1.00 0.00 C ATOM 890 O GLY A 61 -21.976 -5.979 6.685 1.00 0.00 O ATOM 0 H GLY A 61 -23.064 -4.847 9.964 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -22.228 -6.936 9.023 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -23.857 -7.244 8.453 1.00 0.00 H new ATOM 894 N THR A 62 -23.587 -4.540 7.216 1.00 0.00 N ATOM 895 CA THR A 62 -23.536 -4.047 5.874 1.00 0.00 C ATOM 896 C THR A 62 -22.726 -2.797 5.938 1.00 0.00 C ATOM 897 O THR A 62 -22.742 -1.978 6.856 1.00 0.00 O ATOM 898 CB THR A 62 -24.878 -3.570 5.404 1.00 0.00 C ATOM 899 OG1 THR A 62 -25.685 -3.130 6.486 1.00 0.00 O ATOM 900 CG2 THR A 62 -25.559 -4.742 4.677 1.00 0.00 C ATOM 0 H THR A 62 -24.159 -4.019 7.881 1.00 0.00 H new ATOM 0 HA THR A 62 -23.159 -4.837 5.224 1.00 0.00 H new ATOM 0 HB THR A 62 -24.749 -2.718 4.737 1.00 0.00 H new ATOM 0 HG1 THR A 62 -26.551 -2.824 6.145 1.00 0.00 H new ATOM 0 HG21 THR A 62 -26.540 -4.428 4.321 1.00 0.00 H new ATOM 0 HG22 THR A 62 -24.947 -5.049 3.829 1.00 0.00 H new ATOM 0 HG23 THR A 62 -25.673 -5.580 5.365 1.00 0.00 H new ATOM 908 N ILE A 63 -22.040 -2.603 4.798 1.00 0.00 N ATOM 909 CA ILE A 63 -21.323 -1.422 4.428 1.00 0.00 C ATOM 910 C ILE A 63 -22.265 -0.321 4.081 1.00 0.00 C ATOM 911 O ILE A 63 -23.096 -0.391 3.176 1.00 0.00 O ATOM 912 CB ILE A 63 -20.302 -1.666 3.357 1.00 0.00 C ATOM 913 CG1 ILE A 63 -19.411 -2.899 3.584 1.00 0.00 C ATOM 914 CG2 ILE A 63 -19.424 -0.427 3.116 1.00 0.00 C ATOM 915 CD1 ILE A 63 -18.755 -3.020 4.958 1.00 0.00 C ATOM 0 H ILE A 63 -21.983 -3.327 4.082 1.00 0.00 H new ATOM 0 HA ILE A 63 -20.750 -1.106 5.300 1.00 0.00 H new ATOM 0 HB ILE A 63 -20.895 -1.877 2.467 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -20.013 -3.791 3.413 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -18.625 -2.896 2.829 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -18.697 -0.643 2.333 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -20.051 0.409 2.807 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -18.900 -0.168 4.036 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -18.153 -3.928 4.995 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -18.116 -2.154 5.134 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -19.526 -3.064 5.727 1.00 0.00 H new ATOM 927 N ASP A 64 -22.133 0.774 4.850 1.00 0.00 N ATOM 928 CA ASP A 64 -22.765 2.037 4.624 1.00 0.00 C ATOM 929 C ASP A 64 -21.880 3.173 4.243 1.00 0.00 C ATOM 930 O ASP A 64 -20.655 3.068 4.283 1.00 0.00 O ATOM 931 CB ASP A 64 -23.706 2.313 5.809 1.00 0.00 C ATOM 932 CG ASP A 64 -22.951 2.188 7.124 1.00 0.00 C ATOM 933 OD1 ASP A 64 -22.864 1.076 7.710 1.00 0.00 O ATOM 934 OD2 ASP A 64 -22.430 3.202 7.662 1.00 0.00 O ATOM 0 H ASP A 64 -21.546 0.777 5.684 1.00 0.00 H new ATOM 0 HA ASP A 64 -23.345 1.956 3.705 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -24.131 3.313 5.719 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -24.539 1.610 5.792 1.00 0.00 H new ATOM 939 N PHE A 65 -22.363 4.366 3.853 1.00 0.00 N ATOM 940 CA PHE A 65 -21.550 5.450 3.397 1.00 0.00 C ATOM 941 C PHE A 65 -20.344 5.830 4.185 1.00 0.00 C ATOM 942 O PHE A 65 -19.281 5.686 3.585 1.00 0.00 O ATOM 943 CB PHE A 65 -22.362 6.688 2.979 1.00 0.00 C ATOM 944 CG PHE A 65 -21.595 7.613 2.099 1.00 0.00 C ATOM 945 CD1 PHE A 65 -21.114 7.143 0.899 1.00 0.00 C ATOM 946 CD2 PHE A 65 -21.217 8.883 2.468 1.00 0.00 C ATOM 947 CE1 PHE A 65 -20.270 7.870 0.094 1.00 0.00 C ATOM 948 CE2 PHE A 65 -20.521 9.673 1.583 1.00 0.00 C ATOM 949 CZ PHE A 65 -20.021 9.187 0.398 1.00 0.00 C ATOM 0 H PHE A 65 -23.359 4.584 3.855 1.00 0.00 H new ATOM 0 HA PHE A 65 -21.110 4.988 2.514 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -23.265 6.366 2.460 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -22.682 7.225 3.872 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -21.413 6.157 0.575 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -21.466 9.259 3.449 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -19.808 7.412 -0.768 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -20.361 10.713 1.828 1.00 0.00 H new ATOM 0 HZ PHE A 65 -19.453 9.818 -0.270 1.00 0.00 H new ATOM 959 N PRO A 66 -20.367 6.204 5.430 1.00 0.00 N ATOM 960 CA PRO A 66 -19.182 6.636 6.114 1.00 0.00 C ATOM 961 C PRO A 66 -18.185 5.547 6.315 1.00 0.00 C ATOM 962 O PRO A 66 -16.964 5.655 6.419 1.00 0.00 O ATOM 963 CB PRO A 66 -19.698 7.241 7.417 1.00 0.00 C ATOM 964 CG PRO A 66 -20.951 6.415 7.751 1.00 0.00 C ATOM 965 CD PRO A 66 -21.509 6.230 6.331 1.00 0.00 C ATOM 0 HA PRO A 66 -18.617 7.362 5.529 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -18.953 7.172 8.210 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -19.939 8.297 7.297 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -20.713 5.468 8.236 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -21.641 6.945 8.408 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -22.080 5.305 6.258 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -22.186 7.044 6.073 1.00 0.00 H new ATOM 973 N GLU A 67 -18.701 4.306 6.373 1.00 0.00 N ATOM 974 CA GLU A 67 -17.960 3.088 6.473 1.00 0.00 C ATOM 975 C GLU A 67 -17.224 2.772 5.217 1.00 0.00 C ATOM 976 O GLU A 67 -16.084 2.328 5.347 1.00 0.00 O ATOM 977 CB GLU A 67 -18.930 1.972 6.896 1.00 0.00 C ATOM 978 CG GLU A 67 -18.361 0.860 7.779 1.00 0.00 C ATOM 979 CD GLU A 67 -19.566 0.146 8.373 1.00 0.00 C ATOM 980 OE1 GLU A 67 -20.174 -0.652 7.611 1.00 0.00 O ATOM 981 OE2 GLU A 67 -19.998 0.379 9.534 1.00 0.00 O ATOM 0 H GLU A 67 -19.708 4.144 6.348 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.183 3.190 7.230 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -19.766 2.431 7.424 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -19.336 1.515 5.994 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -17.747 0.173 7.196 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -17.724 1.270 8.563 1.00 0.00 H new ATOM 988 N PHE A 68 -17.828 3.105 4.062 1.00 0.00 N ATOM 989 CA PHE A 68 -17.325 3.024 2.726 1.00 0.00 C ATOM 990 C PHE A 68 -16.175 3.956 2.557 1.00 0.00 C ATOM 991 O PHE A 68 -15.057 3.638 2.155 1.00 0.00 O ATOM 992 CB PHE A 68 -18.459 3.207 1.703 1.00 0.00 C ATOM 993 CG PHE A 68 -18.079 2.980 0.281 1.00 0.00 C ATOM 994 CD1 PHE A 68 -18.047 1.713 -0.252 1.00 0.00 C ATOM 995 CD2 PHE A 68 -17.549 4.007 -0.465 1.00 0.00 C ATOM 996 CE1 PHE A 68 -17.660 1.516 -1.556 1.00 0.00 C ATOM 997 CE2 PHE A 68 -17.185 3.873 -1.784 1.00 0.00 C ATOM 998 CZ PHE A 68 -17.240 2.597 -2.295 1.00 0.00 C ATOM 0 H PHE A 68 -18.779 3.473 4.070 1.00 0.00 H new ATOM 0 HA PHE A 68 -16.930 2.027 2.532 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -19.269 2.524 1.958 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -18.852 4.219 1.799 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -18.328 0.867 0.358 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -17.412 4.967 0.010 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -17.685 0.529 -1.993 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -16.875 4.717 -2.382 1.00 0.00 H new ATOM 0 HZ PHE A 68 -16.941 2.437 -3.320 1.00 0.00 H new ATOM 1008 N LEU A 69 -16.331 5.215 3.003 1.00 0.00 N ATOM 1009 CA LEU A 69 -15.279 6.183 3.049 1.00 0.00 C ATOM 1010 C LEU A 69 -14.031 5.727 3.723 1.00 0.00 C ATOM 1011 O LEU A 69 -12.907 5.716 3.224 1.00 0.00 O ATOM 1012 CB LEU A 69 -15.959 7.512 3.420 1.00 0.00 C ATOM 1013 CG LEU A 69 -15.217 8.858 3.358 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -16.088 9.981 3.948 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -13.895 8.917 4.141 1.00 0.00 C ATOM 0 H LEU A 69 -17.223 5.573 3.344 1.00 0.00 H new ATOM 0 HA LEU A 69 -14.787 6.355 2.092 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -16.834 7.607 2.777 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -16.325 7.403 4.441 1.00 0.00 H new ATOM 0 HG LEU A 69 -15.002 8.980 2.296 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -15.547 10.926 3.896 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -17.014 10.061 3.378 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -16.321 9.753 4.988 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -13.452 9.907 4.033 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -14.087 8.719 5.195 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -13.207 8.167 3.751 1.00 0.00 H new ATOM 1027 N THR A 70 -14.159 5.370 5.014 1.00 0.00 N ATOM 1028 CA THR A 70 -13.095 4.782 5.766 1.00 0.00 C ATOM 1029 C THR A 70 -12.295 3.757 5.040 1.00 0.00 C ATOM 1030 O THR A 70 -11.066 3.791 5.058 1.00 0.00 O ATOM 1031 CB THR A 70 -13.684 4.396 7.091 1.00 0.00 C ATOM 1032 OG1 THR A 70 -14.175 5.555 7.747 1.00 0.00 O ATOM 1033 CG2 THR A 70 -12.704 3.646 8.009 1.00 0.00 C ATOM 0 H THR A 70 -15.020 5.493 5.546 1.00 0.00 H new ATOM 0 HA THR A 70 -12.292 5.498 5.941 1.00 0.00 H new ATOM 0 HB THR A 70 -14.496 3.700 6.882 1.00 0.00 H new ATOM 0 HG1 THR A 70 -15.116 5.692 7.509 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.200 3.400 8.948 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.377 2.728 7.520 1.00 0.00 H new ATOM 0 HG23 THR A 70 -11.839 4.277 8.211 1.00 0.00 H new ATOM 1041 N MET A 71 -12.918 2.684 4.519 1.00 0.00 N ATOM 1042 CA MET A 71 -12.242 1.549 3.971 1.00 0.00 C ATOM 1043 C MET A 71 -11.637 1.865 2.647 1.00 0.00 C ATOM 1044 O MET A 71 -10.673 1.225 2.230 1.00 0.00 O ATOM 1045 CB MET A 71 -13.060 0.246 3.989 1.00 0.00 C ATOM 1046 CG MET A 71 -14.234 0.288 3.010 1.00 0.00 C ATOM 1047 SD MET A 71 -15.557 -0.931 3.273 1.00 0.00 S ATOM 1048 CE MET A 71 -14.569 -2.369 2.766 1.00 0.00 C ATOM 0 H MET A 71 -13.934 2.604 4.478 1.00 0.00 H new ATOM 0 HA MET A 71 -11.419 1.330 4.651 1.00 0.00 H new ATOM 0 HB2 MET A 71 -12.410 -0.593 3.739 1.00 0.00 H new ATOM 0 HB3 MET A 71 -13.436 0.069 4.997 1.00 0.00 H new ATOM 0 HG2 MET A 71 -14.675 1.284 3.050 1.00 0.00 H new ATOM 0 HG3 MET A 71 -13.842 0.153 2.002 1.00 0.00 H new ATOM 0 HE1 MET A 71 -15.196 -3.062 2.206 1.00 0.00 H new ATOM 0 HE2 MET A 71 -13.742 -2.039 2.137 1.00 0.00 H new ATOM 0 HE3 MET A 71 -14.175 -2.870 3.650 1.00 0.00 H new ATOM 1058 N MET A 72 -12.125 2.866 1.892 1.00 0.00 N ATOM 1059 CA MET A 72 -11.618 3.259 0.614 1.00 0.00 C ATOM 1060 C MET A 72 -10.589 4.329 0.736 1.00 0.00 C ATOM 1061 O MET A 72 -9.707 4.454 -0.112 1.00 0.00 O ATOM 1062 CB MET A 72 -12.848 3.608 -0.241 1.00 0.00 C ATOM 1063 CG MET A 72 -13.789 2.418 -0.440 1.00 0.00 C ATOM 1064 SD MET A 72 -13.016 0.984 -1.247 1.00 0.00 S ATOM 1065 CE MET A 72 -14.426 -0.160 -1.274 1.00 0.00 C ATOM 0 H MET A 72 -12.919 3.433 2.191 1.00 0.00 H new ATOM 0 HA MET A 72 -11.067 2.462 0.115 1.00 0.00 H new ATOM 0 HB2 MET A 72 -13.395 4.423 0.233 1.00 0.00 H new ATOM 0 HB3 MET A 72 -12.517 3.970 -1.214 1.00 0.00 H new ATOM 0 HG2 MET A 72 -14.177 2.109 0.531 1.00 0.00 H new ATOM 0 HG3 MET A 72 -14.643 2.740 -1.036 1.00 0.00 H new ATOM 0 HE1 MET A 72 -14.074 -1.176 -1.094 1.00 0.00 H new ATOM 0 HE2 MET A 72 -15.137 0.120 -0.497 1.00 0.00 H new ATOM 0 HE3 MET A 72 -14.915 -0.112 -2.247 1.00 0.00 H new ATOM 1075 N ALA A 73 -10.562 5.101 1.837 1.00 0.00 N ATOM 1076 CA ALA A 73 -9.466 5.914 2.265 1.00 0.00 C ATOM 1077 C ALA A 73 -8.226 5.143 2.563 1.00 0.00 C ATOM 1078 O ALA A 73 -7.121 5.599 2.272 1.00 0.00 O ATOM 1079 CB ALA A 73 -9.980 6.663 3.506 1.00 0.00 C ATOM 0 H ALA A 73 -11.360 5.161 2.470 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.163 6.590 1.466 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.192 7.309 3.893 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.845 7.268 3.234 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.268 5.943 4.272 1.00 0.00 H new ATOM 1234 N GLU A 83 2.310 12.542 -0.475 1.00 0.00 N ATOM 1235 CA GLU A 83 1.546 13.593 0.123 1.00 0.00 C ATOM 1236 C GLU A 83 0.636 13.148 1.216 1.00 0.00 C ATOM 1237 O GLU A 83 0.618 13.674 2.328 1.00 0.00 O ATOM 1238 CB GLU A 83 0.901 14.446 -0.983 1.00 0.00 C ATOM 1239 CG GLU A 83 -0.509 14.115 -1.475 1.00 0.00 C ATOM 1240 CD GLU A 83 -1.010 15.190 -2.430 1.00 0.00 C ATOM 1241 OE1 GLU A 83 -1.209 16.381 -2.071 1.00 0.00 O ATOM 1242 OE2 GLU A 83 -1.140 14.840 -3.633 1.00 0.00 O ATOM 0 HA GLU A 83 2.223 14.247 0.674 1.00 0.00 H new ATOM 0 HB2 GLU A 83 0.889 15.478 -0.632 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.563 14.411 -1.848 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.507 13.147 -1.977 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.186 14.032 -0.625 1.00 0.00 H new ATOM 1249 N GLU A 84 -0.107 12.051 0.987 1.00 0.00 N ATOM 1250 CA GLU A 84 -1.005 11.431 1.911 1.00 0.00 C ATOM 1251 C GLU A 84 -0.277 10.699 2.985 1.00 0.00 C ATOM 1252 O GLU A 84 -0.801 10.390 4.054 1.00 0.00 O ATOM 1253 CB GLU A 84 -2.159 10.563 1.380 1.00 0.00 C ATOM 1254 CG GLU A 84 -3.134 11.340 0.493 1.00 0.00 C ATOM 1255 CD GLU A 84 -4.264 11.926 1.326 1.00 0.00 C ATOM 1256 OE1 GLU A 84 -4.301 11.872 2.585 1.00 0.00 O ATOM 1257 OE2 GLU A 84 -5.131 12.508 0.621 1.00 0.00 O ATOM 0 H GLU A 84 -0.077 11.563 0.092 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.523 12.310 2.293 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.747 9.728 0.813 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.704 10.138 2.223 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.605 12.139 -0.025 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -3.543 10.680 -0.272 1.00 0.00 H new ATOM 1264 N ILE A 85 0.987 10.393 2.641 1.00 0.00 N ATOM 1265 CA ILE A 85 1.754 9.688 3.622 1.00 0.00 C ATOM 1266 C ILE A 85 2.338 10.674 4.575 1.00 0.00 C ATOM 1267 O ILE A 85 2.414 10.298 5.743 1.00 0.00 O ATOM 1268 CB ILE A 85 2.785 8.853 2.924 1.00 0.00 C ATOM 1269 CG1 ILE A 85 2.055 7.873 1.990 1.00 0.00 C ATOM 1270 CG2 ILE A 85 3.730 8.102 3.878 1.00 0.00 C ATOM 1271 CD1 ILE A 85 0.822 7.145 2.521 1.00 0.00 C ATOM 0 H ILE A 85 1.450 10.611 1.759 1.00 0.00 H new ATOM 0 HA ILE A 85 1.134 9.007 4.205 1.00 0.00 H new ATOM 0 HB ILE A 85 3.432 9.524 2.359 1.00 0.00 H new ATOM 0 HG12 ILE A 85 1.757 8.424 1.098 1.00 0.00 H new ATOM 0 HG13 ILE A 85 2.775 7.119 1.672 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.447 7.521 3.298 1.00 0.00 H new ATOM 0 HG22 ILE A 85 4.264 8.820 4.500 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.149 7.433 4.513 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.423 6.492 1.745 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.098 6.548 3.390 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.064 7.874 2.807 1.00 0.00 H new ATOM 1283 N ARG A 86 2.880 11.821 4.128 1.00 0.00 N ATOM 1284 CA ARG A 86 3.302 12.921 4.938 1.00 0.00 C ATOM 1285 C ARG A 86 2.275 13.301 5.949 1.00 0.00 C ATOM 1286 O ARG A 86 2.437 13.229 7.166 1.00 0.00 O ATOM 1287 CB ARG A 86 3.711 14.147 4.103 1.00 0.00 C ATOM 1288 CG ARG A 86 4.999 14.013 3.288 1.00 0.00 C ATOM 1289 CD ARG A 86 6.235 13.952 4.187 1.00 0.00 C ATOM 1290 NE ARG A 86 7.427 13.860 3.297 1.00 0.00 N ATOM 1291 CZ ARG A 86 8.690 13.783 3.808 1.00 0.00 C ATOM 1292 NH1 ARG A 86 8.941 13.883 5.146 1.00 0.00 N ATOM 1293 NH2 ARG A 86 9.734 13.585 2.952 1.00 0.00 N ATOM 0 H ARG A 86 3.033 11.990 3.134 1.00 0.00 H new ATOM 0 HA ARG A 86 4.188 12.573 5.469 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.896 14.382 3.419 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.818 14.998 4.775 1.00 0.00 H new ATOM 0 HG2 ARG A 86 4.950 13.113 2.676 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.087 14.858 2.605 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.295 14.838 4.819 1.00 0.00 H new ATOM 0 HD3 ARG A 86 6.184 13.090 4.852 1.00 0.00 H new ATOM 0 HE ARG A 86 7.296 13.854 2.285 1.00 0.00 H new ATOM 0 HH11 ARG A 86 8.171 14.020 5.801 1.00 0.00 H new ATOM 0 HH12 ARG A 86 9.899 13.821 5.491 1.00 0.00 H new ATOM 0 HH21 ARG A 86 9.563 13.497 1.950 1.00 0.00 H new ATOM 0 HH22 ARG A 86 10.686 13.525 3.314 1.00 0.00 H new ATOM 1307 N GLU A 87 1.089 13.493 5.345 1.00 0.00 N ATOM 1308 CA GLU A 87 -0.085 13.611 6.153 1.00 0.00 C ATOM 1309 C GLU A 87 -0.473 12.498 7.064 1.00 0.00 C ATOM 1310 O GLU A 87 -0.978 12.844 8.131 1.00 0.00 O ATOM 1311 CB GLU A 87 -1.270 14.020 5.263 1.00 0.00 C ATOM 1312 CG GLU A 87 -2.610 14.245 5.968 1.00 0.00 C ATOM 1313 CD GLU A 87 -2.760 15.482 6.842 1.00 0.00 C ATOM 1314 OE1 GLU A 87 -1.920 16.418 6.927 1.00 0.00 O ATOM 1315 OE2 GLU A 87 -3.889 15.557 7.396 1.00 0.00 O ATOM 0 H GLU A 87 0.943 13.564 4.338 1.00 0.00 H new ATOM 0 HA GLU A 87 0.200 14.376 6.875 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -1.002 14.938 4.739 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.409 13.249 4.505 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.387 14.280 5.204 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -2.811 13.372 6.588 1.00 0.00 H new ATOM 1322 N ALA A 88 -0.335 11.208 6.710 1.00 0.00 N ATOM 1323 CA ALA A 88 -0.623 10.195 7.677 1.00 0.00 C ATOM 1324 C ALA A 88 0.273 10.284 8.865 1.00 0.00 C ATOM 1325 O ALA A 88 -0.151 10.208 10.017 1.00 0.00 O ATOM 1326 CB ALA A 88 -0.474 8.804 7.038 1.00 0.00 C ATOM 0 H ALA A 88 -0.037 10.875 5.793 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.648 10.350 8.013 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -0.695 8.037 7.780 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -1.168 8.711 6.203 1.00 0.00 H new ATOM 0 HB3 ALA A 88 0.547 8.677 6.677 1.00 0.00 H new ATOM 1332 N PHE A 89 1.572 10.566 8.660 1.00 0.00 N ATOM 1333 CA PHE A 89 2.480 10.722 9.753 1.00 0.00 C ATOM 1334 C PHE A 89 2.119 11.903 10.587 1.00 0.00 C ATOM 1335 O PHE A 89 2.281 11.915 11.806 1.00 0.00 O ATOM 1336 CB PHE A 89 3.894 10.898 9.175 1.00 0.00 C ATOM 1337 CG PHE A 89 4.885 10.512 10.218 1.00 0.00 C ATOM 1338 CD1 PHE A 89 5.311 11.396 11.181 1.00 0.00 C ATOM 1339 CD2 PHE A 89 5.466 9.266 10.196 1.00 0.00 C ATOM 1340 CE1 PHE A 89 6.144 11.030 12.211 1.00 0.00 C ATOM 1341 CE2 PHE A 89 6.332 8.908 11.202 1.00 0.00 C ATOM 1342 CZ PHE A 89 6.735 9.788 12.179 1.00 0.00 C ATOM 0 H PHE A 89 1.993 10.686 7.739 1.00 0.00 H new ATOM 0 HA PHE A 89 2.434 9.842 10.394 1.00 0.00 H new ATOM 0 HB2 PHE A 89 4.019 10.279 8.287 1.00 0.00 H new ATOM 0 HB3 PHE A 89 4.051 11.932 8.868 1.00 0.00 H new ATOM 0 HD1 PHE A 89 4.977 12.422 11.126 1.00 0.00 H new ATOM 0 HD2 PHE A 89 5.244 8.575 9.396 1.00 0.00 H new ATOM 0 HE1 PHE A 89 6.332 11.706 13.032 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.710 7.897 11.226 1.00 0.00 H new ATOM 0 HZ PHE A 89 7.492 9.513 12.899 1.00 0.00 H new ATOM 1352 N ARG A 90 1.558 12.941 9.942 1.00 0.00 N ATOM 1353 CA ARG A 90 1.103 14.143 10.569 1.00 0.00 C ATOM 1354 C ARG A 90 -0.075 13.850 11.432 1.00 0.00 C ATOM 1355 O ARG A 90 -0.302 14.350 12.533 1.00 0.00 O ATOM 1356 CB ARG A 90 0.927 15.332 9.610 1.00 0.00 C ATOM 1357 CG ARG A 90 0.803 16.693 10.297 1.00 0.00 C ATOM 1358 CD ARG A 90 -0.203 17.747 9.831 1.00 0.00 C ATOM 1359 NE ARG A 90 -1.525 17.114 9.559 1.00 0.00 N ATOM 1360 CZ ARG A 90 -2.449 16.926 10.546 1.00 0.00 C ATOM 1361 NH1 ARG A 90 -2.240 17.323 11.835 1.00 0.00 N ATOM 1362 NH2 ARG A 90 -3.570 16.230 10.196 1.00 0.00 N ATOM 0 H ARG A 90 1.415 12.942 8.932 1.00 0.00 H new ATOM 0 HA ARG A 90 1.898 14.501 11.223 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.777 15.360 8.928 1.00 0.00 H new ATOM 0 HB3 ARG A 90 0.037 15.164 9.004 1.00 0.00 H new ATOM 0 HG2 ARG A 90 0.589 16.497 11.348 1.00 0.00 H new ATOM 0 HG3 ARG A 90 1.788 17.158 10.254 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -0.311 18.519 10.593 1.00 0.00 H new ATOM 0 HD3 ARG A 90 0.165 18.238 8.930 1.00 0.00 H new ATOM 0 HE ARG A 90 -1.745 16.813 8.610 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -1.365 17.780 12.092 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -2.958 17.162 12.541 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -3.679 15.884 9.243 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -4.299 16.056 10.888 1.00 0.00 H new ATOM 1376 N VAL A 91 -0.955 12.972 10.917 1.00 0.00 N ATOM 1377 CA VAL A 91 -2.154 12.526 11.555 1.00 0.00 C ATOM 1378 C VAL A 91 -1.804 11.827 12.824 1.00 0.00 C ATOM 1379 O VAL A 91 -2.466 12.055 13.835 1.00 0.00 O ATOM 1380 CB VAL A 91 -2.927 11.735 10.542 1.00 0.00 C ATOM 1381 CG1 VAL A 91 -3.579 10.463 11.108 1.00 0.00 C ATOM 1382 CG2 VAL A 91 -4.002 12.537 9.789 1.00 0.00 C ATOM 0 H VAL A 91 -0.820 12.548 9.999 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.813 13.334 11.874 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.149 11.452 9.833 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.119 9.947 10.314 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.807 9.806 11.508 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.274 10.733 11.903 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.510 11.886 9.078 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.727 12.932 10.501 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.532 13.362 9.254 1.00 0.00 H new ATOM 1392 N PHE A 92 -0.750 10.993 12.792 1.00 0.00 N ATOM 1393 CA PHE A 92 -0.310 10.290 13.957 1.00 0.00 C ATOM 1394 C PHE A 92 0.425 11.122 14.950 1.00 0.00 C ATOM 1395 O PHE A 92 -0.038 11.205 16.086 1.00 0.00 O ATOM 1396 CB PHE A 92 0.522 9.012 13.756 1.00 0.00 C ATOM 1397 CG PHE A 92 -0.344 7.998 13.091 1.00 0.00 C ATOM 1398 CD1 PHE A 92 -1.479 7.456 13.648 1.00 0.00 C ATOM 1399 CD2 PHE A 92 -0.045 7.613 11.806 1.00 0.00 C ATOM 1400 CE1 PHE A 92 -2.280 6.506 13.058 1.00 0.00 C ATOM 1401 CE2 PHE A 92 -0.764 6.612 11.195 1.00 0.00 C ATOM 1402 CZ PHE A 92 -1.833 6.041 11.844 1.00 0.00 C ATOM 0 H PHE A 92 -0.199 10.805 11.954 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.290 9.994 14.333 1.00 0.00 H new ATOM 0 HB2 PHE A 92 1.401 9.221 13.146 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.881 8.637 14.714 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -1.765 7.805 14.629 1.00 0.00 H new ATOM 0 HD2 PHE A 92 0.759 8.099 11.273 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -3.192 6.152 13.515 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -0.489 6.275 10.206 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.337 5.202 11.387 1.00 0.00 H new ATOM 1412 N ASP A 93 1.501 11.849 14.598 1.00 0.00 N ATOM 1413 CA ASP A 93 2.355 12.708 15.359 1.00 0.00 C ATOM 1414 C ASP A 93 1.744 14.027 15.684 1.00 0.00 C ATOM 1415 O ASP A 93 1.759 14.969 14.893 1.00 0.00 O ATOM 1416 CB ASP A 93 3.677 12.960 14.614 1.00 0.00 C ATOM 1417 CG ASP A 93 4.727 13.523 15.561 1.00 0.00 C ATOM 1418 OD1 ASP A 93 4.437 13.932 16.717 1.00 0.00 O ATOM 1419 OD2 ASP A 93 5.902 13.609 15.113 1.00 0.00 O ATOM 0 H ASP A 93 1.814 11.825 13.628 1.00 0.00 H new ATOM 0 HA ASP A 93 2.529 12.181 16.297 1.00 0.00 H new ATOM 0 HB2 ASP A 93 4.037 12.029 14.176 1.00 0.00 H new ATOM 0 HB3 ASP A 93 3.510 13.656 13.792 1.00 0.00 H new ATOM 1424 N LYS A 94 1.263 14.253 16.920 1.00 0.00 N ATOM 1425 CA LYS A 94 0.324 15.278 17.253 1.00 0.00 C ATOM 1426 C LYS A 94 1.144 16.467 17.621 1.00 0.00 C ATOM 1427 O LYS A 94 0.943 17.600 17.183 1.00 0.00 O ATOM 1428 CB LYS A 94 -0.522 14.759 18.428 1.00 0.00 C ATOM 1429 CG LYS A 94 -1.669 15.648 18.912 1.00 0.00 C ATOM 1430 CD LYS A 94 -2.903 15.683 18.007 1.00 0.00 C ATOM 1431 CE LYS A 94 -4.166 16.475 18.351 1.00 0.00 C ATOM 1432 NZ LYS A 94 -4.531 16.166 19.752 1.00 0.00 N ATOM 0 H LYS A 94 1.543 13.693 17.725 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.358 15.545 16.446 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.940 13.794 18.142 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.145 14.580 19.271 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.975 15.309 19.902 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -1.294 16.665 19.025 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -2.565 16.046 17.037 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -3.215 14.648 17.869 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -3.991 17.544 18.230 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.980 16.207 17.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -5.466 16.569 19.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -4.560 15.135 19.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -3.823 16.577 20.394 1.00 0.00 H new ATOM 1446 N ASP A 95 2.188 16.196 18.424 1.00 0.00 N ATOM 1447 CA ASP A 95 3.139 17.124 18.951 1.00 0.00 C ATOM 1448 C ASP A 95 3.982 17.749 17.893 1.00 0.00 C ATOM 1449 O ASP A 95 4.468 18.873 18.008 1.00 0.00 O ATOM 1450 CB ASP A 95 3.908 16.395 20.065 1.00 0.00 C ATOM 1451 CG ASP A 95 4.637 15.136 19.617 1.00 0.00 C ATOM 1452 OD1 ASP A 95 5.809 15.245 19.169 1.00 0.00 O ATOM 1453 OD2 ASP A 95 4.228 13.965 19.838 1.00 0.00 O ATOM 0 H ASP A 95 2.382 15.243 18.730 1.00 0.00 H new ATOM 0 HA ASP A 95 2.645 17.992 19.388 1.00 0.00 H new ATOM 0 HB2 ASP A 95 4.634 17.084 20.497 1.00 0.00 H new ATOM 0 HB3 ASP A 95 3.208 16.130 20.858 1.00 0.00 H new ATOM 1458 N GLY A 96 4.273 16.896 16.895 1.00 0.00 N ATOM 1459 CA GLY A 96 4.996 17.280 15.723 1.00 0.00 C ATOM 1460 C GLY A 96 6.462 17.502 15.868 1.00 0.00 C ATOM 1461 O GLY A 96 6.896 18.609 15.555 1.00 0.00 O ATOM 0 H GLY A 96 3.998 15.914 16.903 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.844 16.511 14.966 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.552 18.198 15.338 1.00 0.00 H new ATOM 1465 N ASN A 97 7.134 16.446 16.361 1.00 0.00 N ATOM 1466 CA ASN A 97 8.562 16.367 16.348 1.00 0.00 C ATOM 1467 C ASN A 97 9.125 15.573 15.219 1.00 0.00 C ATOM 1468 O ASN A 97 10.181 15.926 14.696 1.00 0.00 O ATOM 1469 CB ASN A 97 9.206 15.969 17.686 1.00 0.00 C ATOM 1470 CG ASN A 97 8.788 14.619 18.251 1.00 0.00 C ATOM 1471 OD1 ASN A 97 8.008 13.820 17.736 1.00 0.00 O ATOM 1472 ND2 ASN A 97 9.516 14.237 19.334 1.00 0.00 N ATOM 0 H ASN A 97 6.678 15.633 16.776 1.00 0.00 H new ATOM 0 HA ASN A 97 8.847 17.405 16.176 1.00 0.00 H new ATOM 0 HB2 ASN A 97 10.289 15.968 17.560 1.00 0.00 H new ATOM 0 HB3 ASN A 97 8.971 16.737 18.423 1.00 0.00 H new ATOM 0 HD21 ASN A 97 9.412 13.295 19.712 1.00 0.00 H new ATOM 0 HD22 ASN A 97 10.166 14.892 19.769 1.00 0.00 H new ATOM 1479 N GLY A 98 8.502 14.465 14.781 1.00 0.00 N ATOM 1480 CA GLY A 98 8.997 13.578 13.774 1.00 0.00 C ATOM 1481 C GLY A 98 9.296 12.193 14.235 1.00 0.00 C ATOM 1482 O GLY A 98 9.861 11.353 13.537 1.00 0.00 O ATOM 0 H GLY A 98 7.599 14.171 15.152 1.00 0.00 H new ATOM 0 HA2 GLY A 98 8.265 13.525 12.968 1.00 0.00 H new ATOM 0 HA3 GLY A 98 9.906 14.006 13.351 1.00 0.00 H new ATOM 1486 N TYR A 99 8.773 11.972 15.454 1.00 0.00 N ATOM 1487 CA TYR A 99 8.867 10.688 16.077 1.00 0.00 C ATOM 1488 C TYR A 99 7.482 10.328 16.490 1.00 0.00 C ATOM 1489 O TYR A 99 6.788 11.139 17.101 1.00 0.00 O ATOM 1490 CB TYR A 99 9.762 10.665 17.328 1.00 0.00 C ATOM 1491 CG TYR A 99 11.140 11.035 16.898 1.00 0.00 C ATOM 1492 CD1 TYR A 99 11.921 10.136 16.211 1.00 0.00 C ATOM 1493 CD2 TYR A 99 11.516 12.356 16.962 1.00 0.00 C ATOM 1494 CE1 TYR A 99 13.149 10.486 15.699 1.00 0.00 C ATOM 1495 CE2 TYR A 99 12.767 12.666 16.484 1.00 0.00 C ATOM 1496 CZ TYR A 99 13.594 11.779 15.834 1.00 0.00 C ATOM 1497 OH TYR A 99 14.881 12.215 15.454 1.00 0.00 O ATOM 0 H TYR A 99 8.287 12.679 16.006 1.00 0.00 H new ATOM 0 HA TYR A 99 9.316 9.993 15.367 1.00 0.00 H new ATOM 0 HB2 TYR A 99 9.393 11.366 18.077 1.00 0.00 H new ATOM 0 HB3 TYR A 99 9.756 9.676 17.786 1.00 0.00 H new ATOM 0 HD1 TYR A 99 11.561 9.128 16.069 1.00 0.00 H new ATOM 0 HD2 TYR A 99 10.861 13.113 17.368 1.00 0.00 H new ATOM 0 HE1 TYR A 99 13.758 9.750 15.195 1.00 0.00 H new ATOM 0 HE2 TYR A 99 13.125 13.675 16.629 1.00 0.00 H new ATOM 0 HH TYR A 99 14.971 13.172 15.642 1.00 0.00 H new ATOM 1507 N ILE A 100 7.031 9.086 16.238 1.00 0.00 N ATOM 1508 CA ILE A 100 5.781 8.628 16.761 1.00 0.00 C ATOM 1509 C ILE A 100 5.979 7.687 17.899 1.00 0.00 C ATOM 1510 O ILE A 100 6.707 6.708 17.747 1.00 0.00 O ATOM 1511 CB ILE A 100 4.951 7.797 15.827 1.00 0.00 C ATOM 1512 CG1 ILE A 100 4.580 8.614 14.578 1.00 0.00 C ATOM 1513 CG2 ILE A 100 3.751 7.182 16.566 1.00 0.00 C ATOM 1514 CD1 ILE A 100 4.057 7.774 13.413 1.00 0.00 C ATOM 0 H ILE A 100 7.531 8.400 15.673 1.00 0.00 H new ATOM 0 HA ILE A 100 5.288 9.569 17.005 1.00 0.00 H new ATOM 0 HB ILE A 100 5.532 6.948 15.466 1.00 0.00 H new ATOM 0 HG12 ILE A 100 3.823 9.349 14.850 1.00 0.00 H new ATOM 0 HG13 ILE A 100 5.458 9.169 14.246 1.00 0.00 H new ATOM 0 HG21 ILE A 100 3.163 6.584 15.870 1.00 0.00 H new ATOM 0 HG22 ILE A 100 4.109 6.548 17.377 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.129 7.978 16.976 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.819 8.426 12.573 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.820 7.056 13.111 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.159 7.240 13.724 1.00 0.00 H new ATOM 1526 N SER A 101 5.544 8.005 19.131 1.00 0.00 N ATOM 1527 CA SER A 101 5.533 7.147 20.275 1.00 0.00 C ATOM 1528 C SER A 101 4.314 6.290 20.277 1.00 0.00 C ATOM 1529 O SER A 101 3.327 6.582 19.605 1.00 0.00 O ATOM 1530 CB SER A 101 5.756 7.887 21.605 1.00 0.00 C ATOM 1531 OG SER A 101 4.622 8.614 22.056 1.00 0.00 O ATOM 0 H SER A 101 5.173 8.931 19.342 1.00 0.00 H new ATOM 0 HA SER A 101 6.398 6.489 20.189 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.039 7.163 22.369 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.594 8.574 21.491 1.00 0.00 H new ATOM 0 HG SER A 101 4.471 9.383 21.467 1.00 0.00 H new ATOM 1537 N ALA A 102 4.283 5.196 21.059 1.00 0.00 N ATOM 1538 CA ALA A 102 3.064 4.471 21.242 1.00 0.00 C ATOM 1539 C ALA A 102 1.918 5.187 21.870 1.00 0.00 C ATOM 1540 O ALA A 102 0.728 4.961 21.660 1.00 0.00 O ATOM 1541 CB ALA A 102 3.418 3.236 22.088 1.00 0.00 C ATOM 0 H ALA A 102 5.088 4.818 21.558 1.00 0.00 H new ATOM 0 HA ALA A 102 2.692 4.252 20.241 1.00 0.00 H new ATOM 0 HB1 ALA A 102 2.520 2.643 22.260 1.00 0.00 H new ATOM 0 HB2 ALA A 102 4.156 2.632 21.560 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.829 3.556 23.045 1.00 0.00 H new ATOM 1547 N ALA A 103 2.180 6.327 22.535 1.00 0.00 N ATOM 1548 CA ALA A 103 1.135 7.079 23.156 1.00 0.00 C ATOM 1549 C ALA A 103 0.384 7.941 22.200 1.00 0.00 C ATOM 1550 O ALA A 103 -0.810 8.195 22.349 1.00 0.00 O ATOM 1551 CB ALA A 103 1.625 7.999 24.286 1.00 0.00 C ATOM 0 H ALA A 103 3.112 6.726 22.642 1.00 0.00 H new ATOM 0 HA ALA A 103 0.485 6.304 23.562 1.00 0.00 H new ATOM 0 HB1 ALA A 103 0.778 8.538 24.710 1.00 0.00 H new ATOM 0 HB2 ALA A 103 2.100 7.400 25.063 1.00 0.00 H new ATOM 0 HB3 ALA A 103 2.346 8.713 23.887 1.00 0.00 H new ATOM 1557 N GLU A 104 0.972 8.403 21.082 1.00 0.00 N ATOM 1558 CA GLU A 104 0.370 9.082 19.977 1.00 0.00 C ATOM 1559 C GLU A 104 -0.368 8.092 19.144 1.00 0.00 C ATOM 1560 O GLU A 104 -1.524 8.286 18.772 1.00 0.00 O ATOM 1561 CB GLU A 104 1.514 9.642 19.115 1.00 0.00 C ATOM 1562 CG GLU A 104 2.344 10.709 19.832 1.00 0.00 C ATOM 1563 CD GLU A 104 3.676 11.015 19.162 1.00 0.00 C ATOM 1564 OE1 GLU A 104 3.762 11.317 17.941 1.00 0.00 O ATOM 1565 OE2 GLU A 104 4.728 10.886 19.842 1.00 0.00 O ATOM 0 H GLU A 104 1.975 8.287 20.940 1.00 0.00 H new ATOM 0 HA GLU A 104 -0.305 9.863 20.327 1.00 0.00 H new ATOM 0 HB2 GLU A 104 2.168 8.823 18.815 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.097 10.068 18.202 1.00 0.00 H new ATOM 0 HG2 GLU A 104 1.761 11.628 19.893 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.531 10.382 20.855 1.00 0.00 H new ATOM 1572 N LEU A 105 0.149 6.864 18.964 1.00 0.00 N ATOM 1573 CA LEU A 105 -0.680 5.833 18.421 1.00 0.00 C ATOM 1574 C LEU A 105 -1.844 5.463 19.275 1.00 0.00 C ATOM 1575 O LEU A 105 -2.909 5.027 18.840 1.00 0.00 O ATOM 1576 CB LEU A 105 0.238 4.677 17.989 1.00 0.00 C ATOM 1577 CG LEU A 105 -0.341 3.484 17.209 1.00 0.00 C ATOM 1578 CD1 LEU A 105 -0.968 3.897 15.867 1.00 0.00 C ATOM 1579 CD2 LEU A 105 0.830 2.511 16.986 1.00 0.00 C ATOM 0 H LEU A 105 1.106 6.590 19.185 1.00 0.00 H new ATOM 0 HA LEU A 105 -1.201 6.200 17.537 1.00 0.00 H new ATOM 0 HB2 LEU A 105 1.035 5.106 17.381 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.704 4.279 18.890 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.152 3.027 17.776 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.360 3.014 15.361 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.779 4.602 16.046 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.210 4.367 15.241 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.479 1.639 16.434 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.614 3.010 16.416 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.228 2.194 17.950 1.00 0.00 H new ATOM 1591 N ARG A 106 -1.748 5.590 20.610 1.00 0.00 N ATOM 1592 CA ARG A 106 -2.902 5.471 21.447 1.00 0.00 C ATOM 1593 C ARG A 106 -3.967 6.476 21.171 1.00 0.00 C ATOM 1594 O ARG A 106 -5.151 6.207 20.973 1.00 0.00 O ATOM 1595 CB ARG A 106 -2.650 5.482 22.964 1.00 0.00 C ATOM 1596 CG ARG A 106 -3.825 5.101 23.867 1.00 0.00 C ATOM 1597 CD ARG A 106 -3.283 4.686 25.236 1.00 0.00 C ATOM 1598 NE ARG A 106 -2.722 5.951 25.789 1.00 0.00 N ATOM 1599 CZ ARG A 106 -1.720 6.006 26.715 1.00 0.00 C ATOM 1600 NH1 ARG A 106 -1.170 4.904 27.302 1.00 0.00 N ATOM 1601 NH2 ARG A 106 -1.258 7.246 27.049 1.00 0.00 N ATOM 0 H ARG A 106 -0.877 5.774 21.108 1.00 0.00 H new ATOM 0 HA ARG A 106 -3.236 4.473 21.165 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -1.826 4.801 23.175 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -2.317 6.481 23.245 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -4.509 5.943 23.972 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -4.392 4.283 23.423 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -4.070 4.284 25.874 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -2.519 3.914 25.147 1.00 0.00 H new ATOM 0 HE ARG A 106 -3.111 6.832 25.454 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -1.506 3.973 27.055 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -0.423 5.011 27.988 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -1.661 8.075 26.612 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -0.510 7.344 27.736 1.00 0.00 H new ATOM 1615 N HIS A 107 -3.578 7.762 21.128 1.00 0.00 N ATOM 1616 CA HIS A 107 -4.362 8.945 20.949 1.00 0.00 C ATOM 1617 C HIS A 107 -5.144 8.888 19.682 1.00 0.00 C ATOM 1618 O HIS A 107 -6.327 9.225 19.679 1.00 0.00 O ATOM 1619 CB HIS A 107 -3.483 10.205 21.018 1.00 0.00 C ATOM 1620 CG HIS A 107 -4.250 11.485 20.867 1.00 0.00 C ATOM 1621 ND1 HIS A 107 -5.471 11.751 21.452 1.00 0.00 N ATOM 1622 CD2 HIS A 107 -4.045 12.437 19.918 1.00 0.00 C ATOM 1623 CE1 HIS A 107 -5.853 12.949 20.932 1.00 0.00 C ATOM 1624 NE2 HIS A 107 -5.067 13.363 19.957 1.00 0.00 N ATOM 0 H HIS A 107 -2.591 7.997 21.232 1.00 0.00 H new ATOM 0 HA HIS A 107 -5.079 9.000 21.769 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -2.956 10.218 21.972 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -2.725 10.152 20.236 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -5.976 11.176 22.126 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -3.208 12.464 19.236 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -6.711 13.504 21.282 1.00 0.00 H new ATOM 1632 N VAL A 108 -4.601 8.446 18.533 1.00 0.00 N ATOM 1633 CA VAL A 108 -5.324 8.242 17.317 1.00 0.00 C ATOM 1634 C VAL A 108 -6.282 7.111 17.472 1.00 0.00 C ATOM 1635 O VAL A 108 -7.460 7.232 17.142 1.00 0.00 O ATOM 1636 CB VAL A 108 -4.466 8.131 16.092 1.00 0.00 C ATOM 1637 CG1 VAL A 108 -5.223 7.681 14.831 1.00 0.00 C ATOM 1638 CG2 VAL A 108 -3.836 9.510 15.831 1.00 0.00 C ATOM 0 H VAL A 108 -3.610 8.220 18.449 1.00 0.00 H new ATOM 0 HA VAL A 108 -5.897 9.151 17.135 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.721 7.360 16.288 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -4.531 7.626 13.991 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -5.664 6.699 15.002 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -6.012 8.398 14.605 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.205 9.460 14.944 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -4.624 10.246 15.674 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.232 9.802 16.690 1.00 0.00 H new ATOM 1648 N MET A 109 -5.915 5.986 18.111 1.00 0.00 N ATOM 1649 CA MET A 109 -6.835 4.945 18.449 1.00 0.00 C ATOM 1650 C MET A 109 -7.983 5.302 19.329 1.00 0.00 C ATOM 1651 O MET A 109 -9.108 4.871 19.081 1.00 0.00 O ATOM 1652 CB MET A 109 -6.177 3.602 18.808 1.00 0.00 C ATOM 1653 CG MET A 109 -5.287 3.064 17.686 1.00 0.00 C ATOM 1654 SD MET A 109 -6.123 2.354 16.236 1.00 0.00 S ATOM 1655 CE MET A 109 -4.667 2.018 15.204 1.00 0.00 C ATOM 0 H MET A 109 -4.955 5.795 18.400 1.00 0.00 H new ATOM 0 HA MET A 109 -7.327 4.791 17.488 1.00 0.00 H new ATOM 0 HB2 MET A 109 -5.581 3.724 19.712 1.00 0.00 H new ATOM 0 HB3 MET A 109 -6.953 2.870 19.034 1.00 0.00 H new ATOM 0 HG2 MET A 109 -4.646 3.876 17.343 1.00 0.00 H new ATOM 0 HG3 MET A 109 -4.634 2.300 18.108 1.00 0.00 H new ATOM 0 HE1 MET A 109 -4.984 1.575 14.260 1.00 0.00 H new ATOM 0 HE2 MET A 109 -4.138 2.950 15.007 1.00 0.00 H new ATOM 0 HE3 MET A 109 -4.004 1.327 15.724 1.00 0.00 H new ATOM 1665 N THR A 110 -7.715 6.202 20.292 1.00 0.00 N ATOM 1666 CA THR A 110 -8.730 6.654 21.192 1.00 0.00 C ATOM 1667 C THR A 110 -9.609 7.687 20.576 1.00 0.00 C ATOM 1668 O THR A 110 -10.774 7.795 20.956 1.00 0.00 O ATOM 1669 CB THR A 110 -8.346 7.087 22.576 1.00 0.00 C ATOM 1670 OG1 THR A 110 -7.128 7.817 22.549 1.00 0.00 O ATOM 1671 CG2 THR A 110 -8.123 5.904 23.533 1.00 0.00 C ATOM 0 H THR A 110 -6.796 6.616 20.447 1.00 0.00 H new ATOM 0 HA THR A 110 -9.259 5.716 21.361 1.00 0.00 H new ATOM 0 HB THR A 110 -9.179 7.694 22.932 1.00 0.00 H new ATOM 0 HG1 THR A 110 -6.420 7.257 22.168 1.00 0.00 H new ATOM 0 HG21 THR A 110 -7.848 6.280 24.518 1.00 0.00 H new ATOM 0 HG22 THR A 110 -9.041 5.321 23.611 1.00 0.00 H new ATOM 0 HG23 THR A 110 -7.322 5.272 23.149 1.00 0.00 H new ATOM 1679 N ASN A 111 -9.118 8.440 19.575 1.00 0.00 N ATOM 1680 CA ASN A 111 -9.878 9.416 18.859 1.00 0.00 C ATOM 1681 C ASN A 111 -10.893 8.804 17.956 1.00 0.00 C ATOM 1682 O ASN A 111 -12.070 9.160 17.922 1.00 0.00 O ATOM 1683 CB ASN A 111 -9.042 10.453 18.090 1.00 0.00 C ATOM 1684 CG ASN A 111 -8.240 11.352 19.020 1.00 0.00 C ATOM 1685 OD1 ASN A 111 -8.418 11.378 20.237 1.00 0.00 O ATOM 1686 ND2 ASN A 111 -7.333 12.077 18.312 1.00 0.00 N ATOM 0 H ASN A 111 -8.153 8.365 19.252 1.00 0.00 H new ATOM 0 HA ASN A 111 -10.392 9.963 19.649 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -8.363 9.938 17.411 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -9.702 11.066 17.476 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -6.711 12.726 18.794 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -7.275 11.972 17.299 1.00 0.00 H new ATOM 1693 N LEU A 112 -10.406 7.762 17.259 1.00 0.00 N ATOM 1694 CA LEU A 112 -11.207 6.879 16.469 1.00 0.00 C ATOM 1695 C LEU A 112 -12.162 6.008 17.209 1.00 0.00 C ATOM 1696 O LEU A 112 -13.272 5.633 16.832 1.00 0.00 O ATOM 1697 CB LEU A 112 -10.370 5.969 15.553 1.00 0.00 C ATOM 1698 CG LEU A 112 -9.515 6.771 14.558 1.00 0.00 C ATOM 1699 CD1 LEU A 112 -8.499 5.842 13.872 1.00 0.00 C ATOM 1700 CD2 LEU A 112 -10.370 7.426 13.459 1.00 0.00 C ATOM 0 H LEU A 112 -9.414 7.525 17.245 1.00 0.00 H new ATOM 0 HA LEU A 112 -11.796 7.591 15.891 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -9.721 5.341 16.163 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -11.033 5.302 15.003 1.00 0.00 H new ATOM 0 HG LEU A 112 -9.012 7.551 15.130 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -7.897 6.417 13.169 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -7.849 5.395 14.624 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -9.030 5.055 13.336 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -9.725 7.982 12.779 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -10.903 6.654 12.904 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -11.089 8.107 13.915 1.00 0.00 H new ATOM 1712 N GLY A 113 -11.656 5.572 18.376 1.00 0.00 N ATOM 1713 CA GLY A 113 -12.407 4.722 19.246 1.00 0.00 C ATOM 1714 C GLY A 113 -12.235 3.276 18.927 1.00 0.00 C ATOM 1715 O GLY A 113 -13.201 2.516 18.966 1.00 0.00 O ATOM 0 H GLY A 113 -10.725 5.809 18.718 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -12.100 4.902 20.276 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -13.463 4.982 19.178 1.00 0.00 H new ATOM 1719 N GLU A 114 -11.041 2.866 18.464 1.00 0.00 N ATOM 1720 CA GLU A 114 -10.757 1.506 18.125 1.00 0.00 C ATOM 1721 C GLU A 114 -10.346 0.590 19.226 1.00 0.00 C ATOM 1722 O GLU A 114 -9.659 1.014 20.154 1.00 0.00 O ATOM 1723 CB GLU A 114 -9.686 1.481 17.022 1.00 0.00 C ATOM 1724 CG GLU A 114 -10.081 2.190 15.725 1.00 0.00 C ATOM 1725 CD GLU A 114 -10.946 1.298 14.846 1.00 0.00 C ATOM 1726 OE1 GLU A 114 -11.062 0.054 15.007 1.00 0.00 O ATOM 1727 OE2 GLU A 114 -11.604 1.875 13.939 1.00 0.00 O ATOM 0 H GLU A 114 -10.252 3.497 18.321 1.00 0.00 H new ATOM 0 HA GLU A 114 -11.719 1.108 17.803 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -8.777 1.941 17.408 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -9.445 0.443 16.793 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -10.622 3.107 15.960 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -9.183 2.481 15.179 1.00 0.00 H new ATOM 1734 N LYS A 115 -10.753 -0.689 19.148 1.00 0.00 N ATOM 1735 CA LYS A 115 -10.506 -1.596 20.226 1.00 0.00 C ATOM 1736 C LYS A 115 -9.166 -2.234 20.092 1.00 0.00 C ATOM 1737 O LYS A 115 -9.168 -3.396 19.690 1.00 0.00 O ATOM 1738 CB LYS A 115 -11.527 -2.732 20.400 1.00 0.00 C ATOM 1739 CG LYS A 115 -12.978 -2.384 20.740 1.00 0.00 C ATOM 1740 CD LYS A 115 -13.742 -1.573 19.691 1.00 0.00 C ATOM 1741 CE LYS A 115 -15.196 -1.492 20.162 1.00 0.00 C ATOM 1742 NZ LYS A 115 -16.047 -1.204 18.987 1.00 0.00 N ATOM 0 H LYS A 115 -11.246 -1.092 18.351 1.00 0.00 H new ATOM 0 HA LYS A 115 -10.581 -0.955 21.104 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -11.536 -3.310 19.476 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -11.155 -3.391 21.185 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -13.521 -3.313 20.917 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -12.986 -1.827 21.677 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -13.314 -0.576 19.587 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -13.679 -2.050 18.713 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -15.497 -2.430 20.629 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -15.309 -0.711 20.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -17.042 -1.145 19.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -15.758 -0.300 18.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -15.940 -1.965 18.286 1.00 0.00 H new ATOM 1756 N LEU A 116 -8.142 -1.487 20.542 1.00 0.00 N ATOM 1757 CA LEU A 116 -6.818 -1.981 20.757 1.00 0.00 C ATOM 1758 C LEU A 116 -6.441 -1.702 22.172 1.00 0.00 C ATOM 1759 O LEU A 116 -6.931 -0.714 22.717 1.00 0.00 O ATOM 1760 CB LEU A 116 -5.840 -1.279 19.801 1.00 0.00 C ATOM 1761 CG LEU A 116 -5.831 -1.799 18.353 1.00 0.00 C ATOM 1762 CD1 LEU A 116 -6.999 -1.456 17.414 1.00 0.00 C ATOM 1763 CD2 LEU A 116 -4.585 -1.280 17.615 1.00 0.00 C ATOM 0 H LEU A 116 -8.241 -0.497 20.765 1.00 0.00 H new ATOM 0 HA LEU A 116 -6.778 -3.053 20.565 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -6.078 -0.216 19.784 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -4.833 -1.373 20.207 1.00 0.00 H new ATOM 0 HG LEU A 116 -5.884 -2.873 18.532 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -6.824 -1.905 16.436 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -7.928 -1.846 17.831 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -7.075 -0.374 17.308 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -4.587 -1.653 16.591 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -4.596 -0.190 17.604 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -3.688 -1.629 18.126 1.00 0.00 H new ATOM 1775 N THR A 117 -5.644 -2.565 22.826 1.00 0.00 N ATOM 1776 CA THR A 117 -5.041 -2.230 24.079 1.00 0.00 C ATOM 1777 C THR A 117 -3.834 -1.369 23.921 1.00 0.00 C ATOM 1778 O THR A 117 -3.529 -1.069 22.768 1.00 0.00 O ATOM 1779 CB THR A 117 -4.576 -3.482 24.761 1.00 0.00 C ATOM 1780 OG1 THR A 117 -3.795 -4.311 23.913 1.00 0.00 O ATOM 1781 CG2 THR A 117 -5.850 -4.273 25.101 1.00 0.00 C ATOM 0 H THR A 117 -5.416 -3.499 22.486 1.00 0.00 H new ATOM 0 HA THR A 117 -5.799 -1.696 24.652 1.00 0.00 H new ATOM 0 HB THR A 117 -3.966 -3.209 25.622 1.00 0.00 H new ATOM 0 HG1 THR A 117 -3.516 -5.111 24.405 1.00 0.00 H new ATOM 0 HG21 THR A 117 -5.579 -5.202 25.603 1.00 0.00 H new ATOM 0 HG22 THR A 117 -6.484 -3.677 25.758 1.00 0.00 H new ATOM 0 HG23 THR A 117 -6.392 -4.501 24.183 1.00 0.00 H new ATOM 1789 N ASP A 118 -3.140 -0.982 25.006 1.00 0.00 N ATOM 1790 CA ASP A 118 -1.866 -0.364 24.805 1.00 0.00 C ATOM 1791 C ASP A 118 -0.789 -1.257 24.292 1.00 0.00 C ATOM 1792 O ASP A 118 0.096 -0.718 23.630 1.00 0.00 O ATOM 1793 CB ASP A 118 -1.451 0.038 26.231 1.00 0.00 C ATOM 1794 CG ASP A 118 -2.235 1.264 26.675 1.00 0.00 C ATOM 1795 OD1 ASP A 118 -3.392 1.150 27.161 1.00 0.00 O ATOM 1796 OD2 ASP A 118 -1.655 2.383 26.677 1.00 0.00 O ATOM 0 H ASP A 118 -3.440 -1.088 25.975 1.00 0.00 H new ATOM 0 HA ASP A 118 -1.970 0.427 24.062 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -1.633 -0.788 26.918 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -0.382 0.249 26.262 1.00 0.00 H new ATOM 1801 N GLU A 119 -0.795 -2.587 24.489 1.00 0.00 N ATOM 1802 CA GLU A 119 0.092 -3.565 23.940 1.00 0.00 C ATOM 1803 C GLU A 119 -0.065 -3.809 22.479 1.00 0.00 C ATOM 1804 O GLU A 119 0.918 -3.982 21.760 1.00 0.00 O ATOM 1805 CB GLU A 119 -0.306 -4.858 24.671 1.00 0.00 C ATOM 1806 CG GLU A 119 -0.258 -4.715 26.194 1.00 0.00 C ATOM 1807 CD GLU A 119 1.150 -4.582 26.754 1.00 0.00 C ATOM 1808 OE1 GLU A 119 1.989 -5.479 26.470 1.00 0.00 O ATOM 1809 OE2 GLU A 119 1.506 -3.596 27.453 1.00 0.00 O ATOM 0 H GLU A 119 -1.493 -3.019 25.095 1.00 0.00 H new ATOM 0 HA GLU A 119 1.121 -3.230 24.067 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -1.313 -5.146 24.369 1.00 0.00 H new ATOM 0 HB3 GLU A 119 0.361 -5.664 24.365 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -0.839 -3.840 26.486 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -0.738 -5.583 26.646 1.00 0.00 H new ATOM 1816 N GLU A 120 -1.301 -3.732 21.953 1.00 0.00 N ATOM 1817 CA GLU A 120 -1.541 -3.789 20.545 1.00 0.00 C ATOM 1818 C GLU A 120 -0.945 -2.644 19.802 1.00 0.00 C ATOM 1819 O GLU A 120 -0.219 -2.772 18.817 1.00 0.00 O ATOM 1820 CB GLU A 120 -3.032 -3.794 20.168 1.00 0.00 C ATOM 1821 CG GLU A 120 -3.633 -5.123 20.631 1.00 0.00 C ATOM 1822 CD GLU A 120 -5.074 -5.358 20.202 1.00 0.00 C ATOM 1823 OE1 GLU A 120 -5.302 -5.703 19.012 1.00 0.00 O ATOM 1824 OE2 GLU A 120 -5.987 -5.376 21.070 1.00 0.00 O ATOM 0 H GLU A 120 -2.146 -3.629 22.514 1.00 0.00 H new ATOM 0 HA GLU A 120 -1.071 -4.731 20.263 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -3.547 -2.958 20.641 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -3.153 -3.676 19.091 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -3.018 -5.937 20.247 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -3.581 -5.169 21.719 1.00 0.00 H new ATOM 1831 N VAL A 121 -1.036 -1.438 20.391 1.00 0.00 N ATOM 1832 CA VAL A 121 -0.382 -0.227 20.005 1.00 0.00 C ATOM 1833 C VAL A 121 1.105 -0.325 19.984 1.00 0.00 C ATOM 1834 O VAL A 121 1.800 0.034 19.034 1.00 0.00 O ATOM 1835 CB VAL A 121 -1.057 0.944 20.655 1.00 0.00 C ATOM 1836 CG1 VAL A 121 -0.310 2.288 20.705 1.00 0.00 C ATOM 1837 CG2 VAL A 121 -2.436 1.211 20.028 1.00 0.00 C ATOM 0 H VAL A 121 -1.623 -1.301 21.214 1.00 0.00 H new ATOM 0 HA VAL A 121 -0.521 -0.023 18.943 1.00 0.00 H new ATOM 0 HB VAL A 121 -1.107 0.603 21.689 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -0.931 3.031 21.206 1.00 0.00 H new ATOM 0 HG12 VAL A 121 0.623 2.165 21.255 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -0.092 2.621 19.690 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -2.900 2.066 20.520 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -2.318 1.425 18.966 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -3.069 0.332 20.153 1.00 0.00 H new ATOM 1847 N ASP A 122 1.674 -0.883 21.067 1.00 0.00 N ATOM 1848 CA ASP A 122 3.083 -1.056 21.240 1.00 0.00 C ATOM 1849 C ASP A 122 3.587 -2.046 20.247 1.00 0.00 C ATOM 1850 O ASP A 122 4.646 -1.806 19.668 1.00 0.00 O ATOM 1851 CB ASP A 122 3.246 -1.617 22.663 1.00 0.00 C ATOM 1852 CG ASP A 122 4.706 -1.641 23.092 1.00 0.00 C ATOM 1853 OD1 ASP A 122 5.444 -2.610 22.771 1.00 0.00 O ATOM 1854 OD2 ASP A 122 5.080 -0.675 23.809 1.00 0.00 O ATOM 0 H ASP A 122 1.128 -1.229 21.856 1.00 0.00 H new ATOM 0 HA ASP A 122 3.636 -0.127 21.099 1.00 0.00 H new ATOM 0 HB2 ASP A 122 2.671 -1.010 23.362 1.00 0.00 H new ATOM 0 HB3 ASP A 122 2.837 -2.626 22.706 1.00 0.00 H new ATOM 1859 N GLU A 123 2.930 -3.158 19.872 1.00 0.00 N ATOM 1860 CA GLU A 123 3.268 -4.020 18.782 1.00 0.00 C ATOM 1861 C GLU A 123 3.486 -3.364 17.462 1.00 0.00 C ATOM 1862 O GLU A 123 4.451 -3.644 16.751 1.00 0.00 O ATOM 1863 CB GLU A 123 2.230 -5.148 18.653 1.00 0.00 C ATOM 1864 CG GLU A 123 2.662 -6.239 17.672 1.00 0.00 C ATOM 1865 CD GLU A 123 1.671 -7.386 17.540 1.00 0.00 C ATOM 1866 OE1 GLU A 123 1.645 -8.217 18.486 1.00 0.00 O ATOM 1867 OE2 GLU A 123 0.847 -7.416 16.587 1.00 0.00 O ATOM 0 H GLU A 123 2.099 -3.478 20.370 1.00 0.00 H new ATOM 0 HA GLU A 123 4.248 -4.417 19.048 1.00 0.00 H new ATOM 0 HB2 GLU A 123 2.060 -5.593 19.633 1.00 0.00 H new ATOM 0 HB3 GLU A 123 1.280 -4.726 18.325 1.00 0.00 H new ATOM 0 HG2 GLU A 123 2.814 -5.790 16.690 1.00 0.00 H new ATOM 0 HG3 GLU A 123 3.624 -6.640 17.992 1.00 0.00 H new ATOM 1874 N MET A 124 2.598 -2.455 17.023 1.00 0.00 N ATOM 1875 CA MET A 124 2.711 -1.680 15.826 1.00 0.00 C ATOM 1876 C MET A 124 3.857 -0.728 15.838 1.00 0.00 C ATOM 1877 O MET A 124 4.641 -0.707 14.890 1.00 0.00 O ATOM 1878 CB MET A 124 1.435 -0.831 15.695 1.00 0.00 C ATOM 1879 CG MET A 124 0.189 -1.683 15.448 1.00 0.00 C ATOM 1880 SD MET A 124 -1.219 -0.590 15.087 1.00 0.00 S ATOM 1881 CE MET A 124 -2.322 -1.951 14.610 1.00 0.00 C ATOM 0 H MET A 124 1.743 -2.248 17.540 1.00 0.00 H new ATOM 0 HA MET A 124 2.862 -2.381 15.005 1.00 0.00 H new ATOM 0 HB2 MET A 124 1.297 -0.246 16.604 1.00 0.00 H new ATOM 0 HB3 MET A 124 1.556 -0.123 14.875 1.00 0.00 H new ATOM 0 HG2 MET A 124 0.359 -2.365 14.615 1.00 0.00 H new ATOM 0 HG3 MET A 124 -0.026 -2.297 16.323 1.00 0.00 H new ATOM 0 HE1 MET A 124 -3.296 -1.549 14.329 1.00 0.00 H new ATOM 0 HE2 MET A 124 -1.893 -2.487 13.763 1.00 0.00 H new ATOM 0 HE3 MET A 124 -2.440 -2.635 15.450 1.00 0.00 H new ATOM 1891 N ILE A 125 4.281 -0.147 16.974 1.00 0.00 N ATOM 1892 CA ILE A 125 5.462 0.640 17.155 1.00 0.00 C ATOM 1893 C ILE A 125 6.657 -0.249 17.144 1.00 0.00 C ATOM 1894 O ILE A 125 7.590 0.017 16.388 1.00 0.00 O ATOM 1895 CB ILE A 125 5.387 1.456 18.411 1.00 0.00 C ATOM 1896 CG1 ILE A 125 4.099 2.295 18.440 1.00 0.00 C ATOM 1897 CG2 ILE A 125 6.598 2.330 18.780 1.00 0.00 C ATOM 1898 CD1 ILE A 125 4.190 3.559 17.586 1.00 0.00 C ATOM 0 H ILE A 125 3.750 -0.237 17.840 1.00 0.00 H new ATOM 0 HA ILE A 125 5.548 1.347 16.330 1.00 0.00 H new ATOM 0 HB ILE A 125 5.388 0.691 19.188 1.00 0.00 H new ATOM 0 HG12 ILE A 125 3.267 1.685 18.089 1.00 0.00 H new ATOM 0 HG13 ILE A 125 3.877 2.574 19.470 1.00 0.00 H new ATOM 0 HG21 ILE A 125 6.395 2.859 19.711 1.00 0.00 H new ATOM 0 HG22 ILE A 125 7.478 1.699 18.906 1.00 0.00 H new ATOM 0 HG23 ILE A 125 6.781 3.053 17.985 1.00 0.00 H new ATOM 0 HD11 ILE A 125 3.250 4.108 17.648 1.00 0.00 H new ATOM 0 HD12 ILE A 125 5.002 4.187 17.951 1.00 0.00 H new ATOM 0 HD13 ILE A 125 4.382 3.284 16.549 1.00 0.00 H new ATOM 1910 N ARG A 126 6.728 -1.360 17.898 1.00 0.00 N ATOM 1911 CA ARG A 126 7.748 -2.356 18.019 1.00 0.00 C ATOM 1912 C ARG A 126 8.065 -3.165 16.808 1.00 0.00 C ATOM 1913 O ARG A 126 9.243 -3.487 16.668 1.00 0.00 O ATOM 1914 CB ARG A 126 7.497 -3.059 19.363 1.00 0.00 C ATOM 1915 CG ARG A 126 8.666 -3.849 19.956 1.00 0.00 C ATOM 1916 CD ARG A 126 8.441 -4.535 21.305 1.00 0.00 C ATOM 1917 NE ARG A 126 7.988 -3.509 22.286 1.00 0.00 N ATOM 1918 CZ ARG A 126 8.713 -2.993 23.321 1.00 0.00 C ATOM 1919 NH1 ARG A 126 10.025 -3.307 23.530 1.00 0.00 N ATOM 1920 NH2 ARG A 126 8.065 -2.038 24.050 1.00 0.00 N ATOM 0 H ARG A 126 5.948 -1.589 18.514 1.00 0.00 H new ATOM 0 HA ARG A 126 8.738 -1.902 18.053 1.00 0.00 H new ATOM 0 HB2 ARG A 126 7.193 -2.305 20.089 1.00 0.00 H new ATOM 0 HB3 ARG A 126 6.655 -3.740 19.239 1.00 0.00 H new ATOM 0 HG2 ARG A 126 8.957 -4.612 19.234 1.00 0.00 H new ATOM 0 HG3 ARG A 126 9.512 -3.170 20.060 1.00 0.00 H new ATOM 0 HD2 ARG A 126 7.695 -5.324 21.209 1.00 0.00 H new ATOM 0 HD3 ARG A 126 9.361 -5.007 21.648 1.00 0.00 H new ATOM 0 HE ARG A 126 7.038 -3.156 22.172 1.00 0.00 H new ATOM 0 HH11 ARG A 126 10.502 -3.951 22.899 1.00 0.00 H new ATOM 0 HH12 ARG A 126 10.528 -2.897 24.317 1.00 0.00 H new ATOM 0 HH21 ARG A 126 7.114 -1.765 23.802 1.00 0.00 H new ATOM 0 HH22 ARG A 126 8.532 -1.598 24.843 1.00 0.00 H new ATOM 1934 N GLU A 127 7.110 -3.409 15.893 1.00 0.00 N ATOM 1935 CA GLU A 127 7.514 -3.829 14.587 1.00 0.00 C ATOM 1936 C GLU A 127 8.109 -2.819 13.667 1.00 0.00 C ATOM 1937 O GLU A 127 9.069 -3.022 12.926 1.00 0.00 O ATOM 1938 CB GLU A 127 6.344 -4.619 13.978 1.00 0.00 C ATOM 1939 CG GLU A 127 6.675 -5.446 12.734 1.00 0.00 C ATOM 1940 CD GLU A 127 5.519 -6.335 12.298 1.00 0.00 C ATOM 1941 OE1 GLU A 127 4.343 -6.043 12.643 1.00 0.00 O ATOM 1942 OE2 GLU A 127 5.702 -7.374 11.609 1.00 0.00 O ATOM 0 H GLU A 127 6.105 -3.322 16.044 1.00 0.00 H new ATOM 0 HA GLU A 127 8.396 -4.455 14.724 1.00 0.00 H new ATOM 0 HB2 GLU A 127 5.946 -5.288 14.741 1.00 0.00 H new ATOM 0 HB3 GLU A 127 5.550 -3.917 13.724 1.00 0.00 H new ATOM 0 HG2 GLU A 127 6.941 -4.776 11.917 1.00 0.00 H new ATOM 0 HG3 GLU A 127 7.549 -6.065 12.936 1.00 0.00 H new ATOM 1949 N ALA A 128 7.621 -1.584 13.882 1.00 0.00 N ATOM 1950 CA ALA A 128 8.017 -0.543 12.985 1.00 0.00 C ATOM 1951 C ALA A 128 9.346 0.066 13.275 1.00 0.00 C ATOM 1952 O ALA A 128 10.060 0.351 12.315 1.00 0.00 O ATOM 1953 CB ALA A 128 6.859 0.464 12.876 1.00 0.00 C ATOM 0 H ALA A 128 6.987 -1.314 14.634 1.00 0.00 H new ATOM 0 HA ALA A 128 8.197 -0.981 12.003 1.00 0.00 H new ATOM 0 HB1 ALA A 128 7.139 1.268 12.196 1.00 0.00 H new ATOM 0 HB2 ALA A 128 5.972 -0.042 12.494 1.00 0.00 H new ATOM 0 HB3 ALA A 128 6.644 0.880 13.861 1.00 0.00 H new ATOM 1959 N ASP A 129 9.668 0.206 14.573 1.00 0.00 N ATOM 1960 CA ASP A 129 10.918 0.746 15.007 1.00 0.00 C ATOM 1961 C ASP A 129 12.025 -0.173 14.621 1.00 0.00 C ATOM 1962 O ASP A 129 12.103 -1.325 15.044 1.00 0.00 O ATOM 1963 CB ASP A 129 10.851 1.088 16.506 1.00 0.00 C ATOM 1964 CG ASP A 129 12.190 1.410 17.153 1.00 0.00 C ATOM 1965 OD1 ASP A 129 13.067 2.001 16.468 1.00 0.00 O ATOM 1966 OD2 ASP A 129 12.405 0.952 18.307 1.00 0.00 O ATOM 0 H ASP A 129 9.047 -0.062 15.337 1.00 0.00 H new ATOM 0 HA ASP A 129 11.132 1.689 14.505 1.00 0.00 H new ATOM 0 HB2 ASP A 129 10.186 1.941 16.639 1.00 0.00 H new ATOM 0 HB3 ASP A 129 10.402 0.248 17.035 1.00 0.00 H new ATOM 1971 N ILE A 130 13.037 0.411 13.955 1.00 0.00 N ATOM 1972 CA ILE A 130 14.212 -0.309 13.572 1.00 0.00 C ATOM 1973 C ILE A 130 15.397 -0.089 14.448 1.00 0.00 C ATOM 1974 O ILE A 130 15.892 -1.090 14.965 1.00 0.00 O ATOM 1975 CB ILE A 130 14.477 0.135 12.164 1.00 0.00 C ATOM 1976 CG1 ILE A 130 13.266 -0.256 11.300 1.00 0.00 C ATOM 1977 CG2 ILE A 130 15.686 -0.455 11.418 1.00 0.00 C ATOM 1978 CD1 ILE A 130 13.028 0.539 10.018 1.00 0.00 C ATOM 0 H ILE A 130 13.041 1.393 13.679 1.00 0.00 H new ATOM 0 HA ILE A 130 14.042 -1.381 13.666 1.00 0.00 H new ATOM 0 HB ILE A 130 14.680 1.199 12.287 1.00 0.00 H new ATOM 0 HG12 ILE A 130 13.371 -1.307 11.030 1.00 0.00 H new ATOM 0 HG13 ILE A 130 12.372 -0.174 11.918 1.00 0.00 H new ATOM 0 HG21 ILE A 130 15.736 -0.032 10.415 1.00 0.00 H new ATOM 0 HG22 ILE A 130 16.601 -0.214 11.960 1.00 0.00 H new ATOM 0 HG23 ILE A 130 15.579 -1.538 11.350 1.00 0.00 H new ATOM 0 HD11 ILE A 130 12.143 0.155 9.511 1.00 0.00 H new ATOM 0 HD12 ILE A 130 12.878 1.590 10.264 1.00 0.00 H new ATOM 0 HD13 ILE A 130 13.893 0.440 9.362 1.00 0.00 H new ATOM 1990 N ASP A 131 15.782 1.138 14.843 1.00 0.00 N ATOM 1991 CA ASP A 131 16.839 1.411 15.766 1.00 0.00 C ATOM 1992 C ASP A 131 16.649 1.273 17.237 1.00 0.00 C ATOM 1993 O ASP A 131 17.592 1.238 18.026 1.00 0.00 O ATOM 1994 CB ASP A 131 17.361 2.817 15.427 1.00 0.00 C ATOM 1995 CG ASP A 131 16.155 3.739 15.539 1.00 0.00 C ATOM 1996 OD1 ASP A 131 15.637 4.058 16.642 1.00 0.00 O ATOM 1997 OD2 ASP A 131 15.595 4.192 14.505 1.00 0.00 O ATOM 0 H ASP A 131 15.330 1.985 14.499 1.00 0.00 H new ATOM 0 HA ASP A 131 17.531 0.584 15.607 1.00 0.00 H new ATOM 0 HB2 ASP A 131 18.150 3.119 16.115 1.00 0.00 H new ATOM 0 HB3 ASP A 131 17.785 2.846 14.423 1.00 0.00 H new ATOM 2002 N GLY A 132 15.428 1.039 17.750 1.00 0.00 N ATOM 2003 CA GLY A 132 15.311 0.540 19.085 1.00 0.00 C ATOM 2004 C GLY A 132 15.188 1.578 20.147 1.00 0.00 C ATOM 2005 O GLY A 132 15.350 1.275 21.328 1.00 0.00 O ATOM 0 H GLY A 132 14.547 1.189 17.259 1.00 0.00 H new ATOM 0 HA2 GLY A 132 14.439 -0.112 19.136 1.00 0.00 H new ATOM 0 HA3 GLY A 132 16.184 -0.076 19.302 1.00 0.00 H new ATOM 2009 N ASP A 133 14.803 2.790 19.708 1.00 0.00 N ATOM 2010 CA ASP A 133 14.384 3.778 20.652 1.00 0.00 C ATOM 2011 C ASP A 133 12.965 3.664 21.093 1.00 0.00 C ATOM 2012 O ASP A 133 12.562 4.270 22.085 1.00 0.00 O ATOM 2013 CB ASP A 133 14.740 5.185 20.143 1.00 0.00 C ATOM 2014 CG ASP A 133 14.079 5.583 18.831 1.00 0.00 C ATOM 2015 OD1 ASP A 133 13.341 4.757 18.231 1.00 0.00 O ATOM 2016 OD2 ASP A 133 14.403 6.663 18.267 1.00 0.00 O ATOM 0 H ASP A 133 14.781 3.080 18.730 1.00 0.00 H new ATOM 0 HA ASP A 133 14.946 3.585 21.566 1.00 0.00 H new ATOM 0 HB2 ASP A 133 14.463 5.912 20.907 1.00 0.00 H new ATOM 0 HB3 ASP A 133 15.821 5.248 20.021 1.00 0.00 H new ATOM 2021 N GLY A 134 12.181 2.803 20.421 1.00 0.00 N ATOM 2022 CA GLY A 134 10.809 2.550 20.733 1.00 0.00 C ATOM 2023 C GLY A 134 9.912 3.546 20.083 1.00 0.00 C ATOM 2024 O GLY A 134 8.725 3.593 20.405 1.00 0.00 O ATOM 0 H GLY A 134 12.518 2.260 19.626 1.00 0.00 H new ATOM 0 HA2 GLY A 134 10.539 1.546 20.405 1.00 0.00 H new ATOM 0 HA3 GLY A 134 10.668 2.581 21.813 1.00 0.00 H new ATOM 2028 N GLN A 135 10.497 4.420 19.245 1.00 0.00 N ATOM 2029 CA GLN A 135 9.852 5.397 18.425 1.00 0.00 C ATOM 2030 C GLN A 135 10.007 5.252 16.950 1.00 0.00 C ATOM 2031 O GLN A 135 11.081 4.841 16.515 1.00 0.00 O ATOM 2032 CB GLN A 135 10.279 6.817 18.834 1.00 0.00 C ATOM 2033 CG GLN A 135 9.684 7.299 20.159 1.00 0.00 C ATOM 2034 CD GLN A 135 9.898 8.787 20.396 1.00 0.00 C ATOM 2035 OE1 GLN A 135 8.988 9.603 20.536 1.00 0.00 O ATOM 2036 NE2 GLN A 135 11.207 9.145 20.479 1.00 0.00 N ATOM 0 H GLN A 135 11.511 4.443 19.133 1.00 0.00 H new ATOM 0 HA GLN A 135 8.794 5.216 18.616 1.00 0.00 H new ATOM 0 HB2 GLN A 135 11.366 6.850 18.905 1.00 0.00 H new ATOM 0 HB3 GLN A 135 9.989 7.512 18.046 1.00 0.00 H new ATOM 0 HG2 GLN A 135 8.616 7.084 20.172 1.00 0.00 H new ATOM 0 HG3 GLN A 135 10.132 6.737 20.979 1.00 0.00 H new ATOM 0 HE21 GLN A 135 11.937 8.442 20.358 1.00 0.00 H new ATOM 0 HE22 GLN A 135 11.459 10.116 20.662 1.00 0.00 H new ATOM 2045 N VAL A 136 9.001 5.645 16.148 1.00 0.00 N ATOM 2046 CA VAL A 136 8.925 5.364 14.748 1.00 0.00 C ATOM 2047 C VAL A 136 9.008 6.692 14.077 1.00 0.00 C ATOM 2048 O VAL A 136 8.209 7.606 14.273 1.00 0.00 O ATOM 2049 CB VAL A 136 7.588 4.744 14.468 1.00 0.00 C ATOM 2050 CG1 VAL A 136 7.594 4.400 12.968 1.00 0.00 C ATOM 2051 CG2 VAL A 136 7.495 3.404 15.218 1.00 0.00 C ATOM 0 H VAL A 136 8.205 6.183 16.491 1.00 0.00 H new ATOM 0 HA VAL A 136 9.709 4.688 14.405 1.00 0.00 H new ATOM 0 HB VAL A 136 6.775 5.408 14.761 1.00 0.00 H new ATOM 0 HG11 VAL A 136 6.643 3.942 12.696 1.00 0.00 H new ATOM 0 HG12 VAL A 136 7.738 5.311 12.386 1.00 0.00 H new ATOM 0 HG13 VAL A 136 8.405 3.703 12.758 1.00 0.00 H new ATOM 0 HG21 VAL A 136 6.527 2.944 15.022 1.00 0.00 H new ATOM 0 HG22 VAL A 136 8.289 2.740 14.876 1.00 0.00 H new ATOM 0 HG23 VAL A 136 7.604 3.578 16.289 1.00 0.00 H new ATOM 2061 N ASN A 137 10.173 6.914 13.442 1.00 0.00 N ATOM 2062 CA ASN A 137 10.231 8.078 12.614 1.00 0.00 C ATOM 2063 C ASN A 137 9.785 7.809 11.218 1.00 0.00 C ATOM 2064 O ASN A 137 9.245 6.729 10.986 1.00 0.00 O ATOM 2065 CB ASN A 137 11.642 8.690 12.598 1.00 0.00 C ATOM 2066 CG ASN A 137 12.711 7.908 11.848 1.00 0.00 C ATOM 2067 OD1 ASN A 137 12.742 7.785 10.625 1.00 0.00 O ATOM 2068 ND2 ASN A 137 13.702 7.370 12.609 1.00 0.00 N ATOM 0 H ASN A 137 11.014 6.339 13.492 1.00 0.00 H new ATOM 0 HA ASN A 137 9.538 8.794 13.056 1.00 0.00 H new ATOM 0 HB2 ASN A 137 11.577 9.686 12.160 1.00 0.00 H new ATOM 0 HB3 ASN A 137 11.971 8.816 13.629 1.00 0.00 H new ATOM 0 HD21 ASN A 137 14.469 6.866 12.165 1.00 0.00 H new ATOM 0 HD22 ASN A 137 13.678 7.471 13.624 1.00 0.00 H new ATOM 2075 N TYR A 138 9.914 8.728 10.244 1.00 0.00 N ATOM 2076 CA TYR A 138 9.225 8.718 8.991 1.00 0.00 C ATOM 2077 C TYR A 138 9.749 7.641 8.106 1.00 0.00 C ATOM 2078 O TYR A 138 8.978 6.966 7.424 1.00 0.00 O ATOM 2079 CB TYR A 138 9.536 10.016 8.227 1.00 0.00 C ATOM 2080 CG TYR A 138 8.729 10.317 7.011 1.00 0.00 C ATOM 2081 CD1 TYR A 138 7.374 10.459 7.193 1.00 0.00 C ATOM 2082 CD2 TYR A 138 9.250 10.183 5.745 1.00 0.00 C ATOM 2083 CE1 TYR A 138 6.558 10.379 6.089 1.00 0.00 C ATOM 2084 CE2 TYR A 138 8.453 10.362 4.639 1.00 0.00 C ATOM 2085 CZ TYR A 138 7.100 10.515 4.833 1.00 0.00 C ATOM 2086 OH TYR A 138 6.253 10.522 3.704 1.00 0.00 O ATOM 0 H TYR A 138 10.539 9.528 10.339 1.00 0.00 H new ATOM 0 HA TYR A 138 8.165 8.587 9.211 1.00 0.00 H new ATOM 0 HB2 TYR A 138 9.420 10.849 8.921 1.00 0.00 H new ATOM 0 HB3 TYR A 138 10.586 9.989 7.934 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.961 10.629 8.176 1.00 0.00 H new ATOM 0 HD2 TYR A 138 10.294 9.935 5.619 1.00 0.00 H new ATOM 0 HE1 TYR A 138 5.498 10.210 6.208 1.00 0.00 H new ATOM 0 HE2 TYR A 138 8.877 10.382 3.646 1.00 0.00 H new ATOM 0 HH TYR A 138 6.791 10.627 2.892 1.00 0.00 H new ATOM 2096 N GLU A 139 11.060 7.359 8.210 1.00 0.00 N ATOM 2097 CA GLU A 139 11.730 6.336 7.470 1.00 0.00 C ATOM 2098 C GLU A 139 11.208 5.028 7.956 1.00 0.00 C ATOM 2099 O GLU A 139 10.876 4.220 7.089 1.00 0.00 O ATOM 2100 CB GLU A 139 13.265 6.435 7.509 1.00 0.00 C ATOM 2101 CG GLU A 139 13.957 5.543 6.476 1.00 0.00 C ATOM 2102 CD GLU A 139 15.464 5.684 6.313 1.00 0.00 C ATOM 2103 OE1 GLU A 139 16.249 5.629 7.297 1.00 0.00 O ATOM 2104 OE2 GLU A 139 15.900 5.898 5.151 1.00 0.00 O ATOM 0 H GLU A 139 11.681 7.868 8.839 1.00 0.00 H new ATOM 0 HA GLU A 139 11.512 6.456 6.409 1.00 0.00 H new ATOM 0 HB2 GLU A 139 13.559 7.471 7.339 1.00 0.00 H new ATOM 0 HB3 GLU A 139 13.614 6.163 8.505 1.00 0.00 H new ATOM 0 HG2 GLU A 139 13.743 4.505 6.733 1.00 0.00 H new ATOM 0 HG3 GLU A 139 13.496 5.733 5.507 1.00 0.00 H new ATOM 2111 N GLU A 140 11.053 4.804 9.273 1.00 0.00 N ATOM 2112 CA GLU A 140 10.496 3.630 9.870 1.00 0.00 C ATOM 2113 C GLU A 140 9.062 3.404 9.535 1.00 0.00 C ATOM 2114 O GLU A 140 8.686 2.253 9.320 1.00 0.00 O ATOM 2115 CB GLU A 140 10.781 3.774 11.375 1.00 0.00 C ATOM 2116 CG GLU A 140 12.279 3.955 11.629 1.00 0.00 C ATOM 2117 CD GLU A 140 12.617 4.059 13.109 1.00 0.00 C ATOM 2118 OE1 GLU A 140 12.405 5.135 13.730 1.00 0.00 O ATOM 2119 OE2 GLU A 140 13.081 3.106 13.791 1.00 0.00 O ATOM 0 H GLU A 140 11.338 5.493 9.969 1.00 0.00 H new ATOM 0 HA GLU A 140 10.956 2.725 9.472 1.00 0.00 H new ATOM 0 HB2 GLU A 140 10.234 4.629 11.773 1.00 0.00 H new ATOM 0 HB3 GLU A 140 10.422 2.891 11.904 1.00 0.00 H new ATOM 0 HG2 GLU A 140 12.821 3.114 11.195 1.00 0.00 H new ATOM 0 HG3 GLU A 140 12.624 4.854 11.118 1.00 0.00 H new ATOM 2126 N PHE A 141 8.192 4.420 9.401 1.00 0.00 N ATOM 2127 CA PHE A 141 6.805 4.337 9.063 1.00 0.00 C ATOM 2128 C PHE A 141 6.669 3.911 7.642 1.00 0.00 C ATOM 2129 O PHE A 141 5.912 3.002 7.305 1.00 0.00 O ATOM 2130 CB PHE A 141 6.237 5.742 9.328 1.00 0.00 C ATOM 2131 CG PHE A 141 4.772 5.895 9.103 1.00 0.00 C ATOM 2132 CD1 PHE A 141 3.832 5.617 10.067 1.00 0.00 C ATOM 2133 CD2 PHE A 141 4.300 6.384 7.908 1.00 0.00 C ATOM 2134 CE1 PHE A 141 2.511 5.952 9.886 1.00 0.00 C ATOM 2135 CE2 PHE A 141 2.976 6.605 7.608 1.00 0.00 C ATOM 2136 CZ PHE A 141 2.100 6.360 8.639 1.00 0.00 C ATOM 0 H PHE A 141 8.488 5.386 9.542 1.00 0.00 H new ATOM 0 HA PHE A 141 6.257 3.600 9.650 1.00 0.00 H new ATOM 0 HB2 PHE A 141 6.459 6.016 10.359 1.00 0.00 H new ATOM 0 HB3 PHE A 141 6.761 6.453 8.689 1.00 0.00 H new ATOM 0 HD1 PHE A 141 4.136 5.128 10.981 1.00 0.00 H new ATOM 0 HD2 PHE A 141 5.027 6.613 7.143 1.00 0.00 H new ATOM 0 HE1 PHE A 141 1.811 5.896 10.706 1.00 0.00 H new ATOM 0 HE2 PHE A 141 2.649 6.945 6.636 1.00 0.00 H new ATOM 0 HZ PHE A 141 1.043 6.494 8.462 1.00 0.00 H new ATOM 2146 N VAL A 142 7.427 4.540 6.727 1.00 0.00 N ATOM 2147 CA VAL A 142 7.470 4.300 5.318 1.00 0.00 C ATOM 2148 C VAL A 142 7.895 2.908 4.996 1.00 0.00 C ATOM 2149 O VAL A 142 7.354 2.166 4.178 1.00 0.00 O ATOM 2150 CB VAL A 142 8.244 5.348 4.575 1.00 0.00 C ATOM 2151 CG1 VAL A 142 8.478 5.054 3.084 1.00 0.00 C ATOM 2152 CG2 VAL A 142 7.323 6.577 4.497 1.00 0.00 C ATOM 0 H VAL A 142 8.068 5.285 7.001 1.00 0.00 H new ATOM 0 HA VAL A 142 6.446 4.389 4.954 1.00 0.00 H new ATOM 0 HB VAL A 142 9.198 5.438 5.095 1.00 0.00 H new ATOM 0 HG11 VAL A 142 9.046 5.870 2.637 1.00 0.00 H new ATOM 0 HG12 VAL A 142 9.036 4.124 2.980 1.00 0.00 H new ATOM 0 HG13 VAL A 142 7.518 4.960 2.577 1.00 0.00 H new ATOM 0 HG21 VAL A 142 7.832 7.380 3.964 1.00 0.00 H new ATOM 0 HG22 VAL A 142 6.408 6.313 3.967 1.00 0.00 H new ATOM 0 HG23 VAL A 142 7.075 6.910 5.505 1.00 0.00 H new ATOM 2162 N GLN A 143 8.976 2.466 5.663 1.00 0.00 N ATOM 2163 CA GLN A 143 9.356 1.099 5.490 1.00 0.00 C ATOM 2164 C GLN A 143 8.457 0.047 6.043 1.00 0.00 C ATOM 2165 O GLN A 143 8.444 -1.112 5.630 1.00 0.00 O ATOM 2166 CB GLN A 143 10.805 0.906 5.968 1.00 0.00 C ATOM 2167 CG GLN A 143 11.447 -0.476 5.828 1.00 0.00 C ATOM 2168 CD GLN A 143 11.808 -0.780 4.381 1.00 0.00 C ATOM 2169 OE1 GLN A 143 11.093 -0.694 3.384 1.00 0.00 O ATOM 2170 NE2 GLN A 143 13.102 -1.165 4.217 1.00 0.00 N ATOM 0 H GLN A 143 9.560 3.020 6.290 1.00 0.00 H new ATOM 0 HA GLN A 143 9.258 0.932 4.417 1.00 0.00 H new ATOM 0 HB2 GLN A 143 11.429 1.617 5.426 1.00 0.00 H new ATOM 0 HB3 GLN A 143 10.845 1.184 7.021 1.00 0.00 H new ATOM 0 HG2 GLN A 143 12.344 -0.526 6.446 1.00 0.00 H new ATOM 0 HG3 GLN A 143 10.761 -1.237 6.200 1.00 0.00 H new ATOM 0 HE21 GLN A 143 13.717 -1.245 5.027 1.00 0.00 H new ATOM 0 HE22 GLN A 143 13.458 -1.374 3.284 1.00 0.00 H new ATOM 2179 N MET A 144 7.606 0.409 7.019 1.00 0.00 N ATOM 2180 CA MET A 144 6.603 -0.470 7.536 1.00 0.00 C ATOM 2181 C MET A 144 5.425 -0.554 6.627 1.00 0.00 C ATOM 2182 O MET A 144 4.612 -1.469 6.745 1.00 0.00 O ATOM 2183 CB MET A 144 6.290 -0.036 8.978 1.00 0.00 C ATOM 2184 CG MET A 144 5.208 -0.850 9.691 1.00 0.00 C ATOM 2185 SD MET A 144 5.666 -2.600 9.877 1.00 0.00 S ATOM 2186 CE MET A 144 4.233 -3.077 10.886 1.00 0.00 C ATOM 0 H MET A 144 7.614 1.330 7.458 1.00 0.00 H new ATOM 0 HA MET A 144 6.961 -1.499 7.577 1.00 0.00 H new ATOM 0 HB2 MET A 144 7.208 -0.093 9.563 1.00 0.00 H new ATOM 0 HB3 MET A 144 5.984 1.010 8.966 1.00 0.00 H new ATOM 0 HG2 MET A 144 5.023 -0.419 10.675 1.00 0.00 H new ATOM 0 HG3 MET A 144 4.276 -0.779 9.131 1.00 0.00 H new ATOM 0 HE1 MET A 144 4.149 -4.164 10.908 1.00 0.00 H new ATOM 0 HE2 MET A 144 4.362 -2.702 11.901 1.00 0.00 H new ATOM 0 HE3 MET A 144 3.327 -2.652 10.455 1.00 0.00 H new ATOM 2196 N MET A 145 5.162 0.427 5.746 1.00 0.00 N ATOM 2197 CA MET A 145 4.057 0.331 4.843 1.00 0.00 C ATOM 2198 C MET A 145 4.189 -0.776 3.855 1.00 0.00 C ATOM 2199 O MET A 145 3.223 -1.486 3.578 1.00 0.00 O ATOM 2200 CB MET A 145 3.918 1.595 3.979 1.00 0.00 C ATOM 2201 CG MET A 145 3.159 2.639 4.800 1.00 0.00 C ATOM 2202 SD MET A 145 2.682 4.130 3.875 1.00 0.00 S ATOM 2203 CE MET A 145 4.229 4.628 3.065 1.00 0.00 C ATOM 0 H MET A 145 5.711 1.282 5.658 1.00 0.00 H new ATOM 0 HA MET A 145 3.203 0.169 5.501 1.00 0.00 H new ATOM 0 HB2 MET A 145 4.900 1.973 3.694 1.00 0.00 H new ATOM 0 HB3 MET A 145 3.382 1.371 3.057 1.00 0.00 H new ATOM 0 HG2 MET A 145 2.260 2.177 5.208 1.00 0.00 H new ATOM 0 HG3 MET A 145 3.777 2.935 5.647 1.00 0.00 H new ATOM 0 HE1 MET A 145 4.028 5.438 2.364 1.00 0.00 H new ATOM 0 HE2 MET A 145 4.941 4.967 3.818 1.00 0.00 H new ATOM 0 HE3 MET A 145 4.648 3.778 2.526 1.00 0.00 H new