USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 825 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 139:sc= 1.28 USER MOD Single : A 13 ASN : amide:sc= -0.218 X(o=-0.22,f=-0.02) USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 82:sc= 0.669 USER MOD Single : A 23 SER OG : rot -66:sc= 0.326 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -154:sc= 0.98 (180deg=0.507) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 77:sc= 0.652 USER MOD Single : A 50 THR OG1 : rot 84:sc= 0.784 USER MOD Single : A 69 SER OG : rot -11:sc= 0.758 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 158:sc= -0.0582 (180deg=-0.406) USER MOD Single : A 77 THR OG1 : rot 82:sc= 0.34 USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 95:sc= 1.22 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.017 USER MOD Single : A 88 SER OG : rot 70:sc= 0.0031 USER MOD Single : A 90 CYS SG : rot 180:sc= 0 USER MOD Single : A 121 CYS SG : rot -170:sc= 0 USER MOD Single : A 125 THR OG1 : rot -76:sc= 1.15 USER MOD Single : A 128 MET CE :methyl -136:sc= 0 (180deg=-0.0221) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 6 7.260 5.556 -7.885 1.00 3.51 N ATOM 56 CA GLU A 6 7.889 5.236 -9.161 1.00 23.23 C ATOM 57 C GLU A 6 7.324 6.106 -10.280 1.00 31.41 C ATOM 58 O GLU A 6 8.047 6.837 -10.957 1.00 55.11 O ATOM 59 CB GLU A 6 7.686 3.757 -9.497 1.00 43.03 C ATOM 60 CG GLU A 6 7.574 3.482 -10.987 1.00 73.23 C ATOM 61 CD GLU A 6 7.720 2.010 -11.321 1.00 73.14 C ATOM 62 OE1 GLU A 6 7.320 1.170 -10.488 1.00 11.55 O ATOM 63 OE2 GLU A 6 8.234 1.697 -12.416 1.00 14.44 O ATOM 0 HA GLU A 6 8.956 5.438 -9.072 1.00 23.23 H new ATOM 0 HB2 GLU A 6 8.519 3.183 -9.092 1.00 43.03 H new ATOM 0 HB3 GLU A 6 6.783 3.401 -9.001 1.00 43.03 H new ATOM 0 HG2 GLU A 6 6.609 3.838 -11.347 1.00 73.23 H new ATOM 0 HG3 GLU A 6 8.340 4.049 -11.516 1.00 73.23 H new ATOM 70 N PRO A 7 6.000 6.025 -10.480 1.00 61.11 N ATOM 71 CA PRO A 7 5.308 6.797 -11.516 1.00 14.21 C ATOM 72 C PRO A 7 5.267 8.288 -11.198 1.00 25.01 C ATOM 73 O PRO A 7 5.439 9.127 -12.083 1.00 73.04 O ATOM 74 CB PRO A 7 3.894 6.211 -11.510 1.00 34.13 C ATOM 75 CG PRO A 7 3.719 5.657 -10.138 1.00 1.34 C ATOM 76 CD PRO A 7 5.077 5.174 -9.710 1.00 63.23 C ATOM 0 HA PRO A 7 5.810 6.726 -12.481 1.00 14.21 H new ATOM 0 HB2 PRO A 7 3.148 6.976 -11.726 1.00 34.13 H new ATOM 0 HB3 PRO A 7 3.784 5.435 -12.267 1.00 34.13 H new ATOM 0 HG2 PRO A 7 3.342 6.418 -9.455 1.00 1.34 H new ATOM 0 HG3 PRO A 7 2.996 4.841 -10.136 1.00 1.34 H new ATOM 0 HD2 PRO A 7 5.225 5.290 -8.636 1.00 63.23 H new ATOM 0 HD3 PRO A 7 5.218 4.118 -9.939 1.00 63.23 H new ATOM 84 N LEU A 8 5.041 8.612 -9.930 1.00 32.34 N ATOM 85 CA LEU A 8 4.979 10.003 -9.494 1.00 72.43 C ATOM 86 C LEU A 8 6.343 10.674 -9.621 1.00 15.12 C ATOM 87 O LEU A 8 6.448 11.900 -9.584 1.00 3.22 O ATOM 88 CB LEU A 8 4.490 10.083 -8.047 1.00 42.40 C ATOM 89 CG LEU A 8 3.430 11.146 -7.755 1.00 4.23 C ATOM 90 CD1 LEU A 8 2.064 10.503 -7.577 1.00 30.31 C ATOM 91 CD2 LEU A 8 3.808 11.950 -6.519 1.00 41.43 C ATOM 0 H LEU A 8 4.898 7.930 -9.185 1.00 32.34 H new ATOM 0 HA LEU A 8 4.275 10.530 -10.138 1.00 72.43 H new ATOM 0 HB2 LEU A 8 4.087 9.110 -7.766 1.00 42.40 H new ATOM 0 HB3 LEU A 8 5.350 10.270 -7.404 1.00 42.40 H new ATOM 0 HG LEU A 8 3.381 11.826 -8.606 1.00 4.23 H new ATOM 0 HD11 LEU A 8 1.323 11.275 -7.370 1.00 30.31 H new ATOM 0 HD12 LEU A 8 1.790 9.972 -8.489 1.00 30.31 H new ATOM 0 HD13 LEU A 8 2.098 9.800 -6.744 1.00 30.31 H new ATOM 0 HD21 LEU A 8 3.043 12.702 -6.326 1.00 41.43 H new ATOM 0 HD22 LEU A 8 3.886 11.283 -5.661 1.00 41.43 H new ATOM 0 HD23 LEU A 8 4.766 12.442 -6.684 1.00 41.43 H new ATOM 103 N PHE A 9 7.384 9.863 -9.772 1.00 70.34 N ATOM 104 CA PHE A 9 8.742 10.378 -9.906 1.00 14.10 C ATOM 105 C PHE A 9 8.863 11.278 -11.132 1.00 45.12 C ATOM 106 O PHE A 9 9.729 12.152 -11.191 1.00 12.12 O ATOM 107 CB PHE A 9 9.741 9.224 -10.006 1.00 33.55 C ATOM 108 CG PHE A 9 11.175 9.668 -9.972 1.00 61.44 C ATOM 109 CD1 PHE A 9 11.783 10.004 -8.773 1.00 74.24 C ATOM 110 CD2 PHE A 9 11.916 9.749 -11.141 1.00 11.25 C ATOM 111 CE1 PHE A 9 13.103 10.412 -8.739 1.00 54.44 C ATOM 112 CE2 PHE A 9 13.236 10.157 -11.113 1.00 22.34 C ATOM 113 CZ PHE A 9 13.830 10.490 -9.911 1.00 30.12 C ATOM 0 H PHE A 9 7.314 8.846 -9.805 1.00 70.34 H new ATOM 0 HA PHE A 9 8.969 10.969 -9.019 1.00 14.10 H new ATOM 0 HB2 PHE A 9 9.565 8.529 -9.185 1.00 33.55 H new ATOM 0 HB3 PHE A 9 9.560 8.677 -10.931 1.00 33.55 H new ATOM 0 HD1 PHE A 9 11.219 9.946 -7.854 1.00 74.24 H new ATOM 0 HD2 PHE A 9 11.457 9.490 -12.084 1.00 11.25 H new ATOM 0 HE1 PHE A 9 13.565 10.669 -7.798 1.00 54.44 H new ATOM 0 HE2 PHE A 9 13.803 10.216 -12.030 1.00 22.34 H new ATOM 0 HZ PHE A 9 14.861 10.811 -9.888 1.00 30.12 H new ATOM 123 N TYR A 10 7.991 11.057 -12.109 1.00 43.44 N ATOM 124 CA TYR A 10 8.002 11.846 -13.336 1.00 62.51 C ATOM 125 C TYR A 10 7.362 13.212 -13.111 1.00 41.03 C ATOM 126 O TYR A 10 8.005 14.248 -13.280 1.00 44.54 O ATOM 127 CB TYR A 10 7.265 11.102 -14.451 1.00 43.04 C ATOM 128 CG TYR A 10 7.953 11.190 -15.795 1.00 24.31 C ATOM 129 CD1 TYR A 10 8.927 10.269 -16.160 1.00 65.13 C ATOM 130 CD2 TYR A 10 7.628 12.193 -16.699 1.00 43.25 C ATOM 131 CE1 TYR A 10 9.559 10.346 -17.386 1.00 61.14 C ATOM 132 CE2 TYR A 10 8.254 12.277 -17.928 1.00 52.04 C ATOM 133 CZ TYR A 10 9.219 11.351 -18.267 1.00 53.50 C ATOM 134 OH TYR A 10 9.845 11.431 -19.490 1.00 34.30 O ATOM 0 H TYR A 10 7.268 10.339 -12.076 1.00 43.44 H new ATOM 0 HA TYR A 10 9.040 11.996 -13.633 1.00 62.51 H new ATOM 0 HB2 TYR A 10 7.164 10.053 -14.172 1.00 43.04 H new ATOM 0 HB3 TYR A 10 6.257 11.506 -14.541 1.00 43.04 H new ATOM 0 HD1 TYR A 10 9.195 9.479 -15.474 1.00 65.13 H new ATOM 0 HD2 TYR A 10 6.873 12.920 -16.437 1.00 43.25 H new ATOM 0 HE1 TYR A 10 10.315 9.623 -17.653 1.00 61.14 H new ATOM 0 HE2 TYR A 10 7.989 13.063 -18.619 1.00 52.04 H new ATOM 0 HH TYR A 10 9.489 12.195 -19.990 1.00 34.30 H new ATOM 144 N THR A 11 6.089 13.206 -12.728 1.00 1.21 N ATOM 145 CA THR A 11 5.360 14.443 -12.480 1.00 11.41 C ATOM 146 C THR A 11 6.118 15.343 -11.511 1.00 14.44 C ATOM 147 O THR A 11 6.174 16.560 -11.693 1.00 73.13 O ATOM 148 CB THR A 11 3.956 14.164 -11.912 1.00 73.30 C ATOM 149 OG1 THR A 11 3.320 15.394 -11.549 1.00 51.40 O ATOM 150 CG2 THR A 11 4.035 13.251 -10.698 1.00 30.41 C ATOM 0 H THR A 11 5.542 12.358 -12.583 1.00 1.21 H new ATOM 0 HA THR A 11 5.261 14.949 -13.440 1.00 11.41 H new ATOM 0 HB THR A 11 3.369 13.666 -12.684 1.00 73.30 H new ATOM 0 HG1 THR A 11 2.378 15.367 -11.818 1.00 51.40 H new ATOM 0 HG21 THR A 11 3.031 13.068 -10.314 1.00 30.41 H new ATOM 0 HG22 THR A 11 4.492 12.304 -10.984 1.00 30.41 H new ATOM 0 HG23 THR A 11 4.638 13.726 -9.924 1.00 30.41 H new ATOM 158 N ILE A 12 6.700 14.738 -10.481 1.00 15.44 N ATOM 159 CA ILE A 12 7.456 15.486 -9.484 1.00 14.13 C ATOM 160 C ILE A 12 8.663 16.174 -10.112 1.00 23.44 C ATOM 161 O ILE A 12 8.961 17.328 -9.807 1.00 23.53 O ATOM 162 CB ILE A 12 7.936 14.573 -8.340 1.00 52.21 C ATOM 163 CG1 ILE A 12 6.745 14.086 -7.512 1.00 54.35 C ATOM 164 CG2 ILE A 12 8.935 15.309 -7.459 1.00 74.31 C ATOM 165 CD1 ILE A 12 6.238 15.111 -6.522 1.00 21.14 C ATOM 0 H ILE A 12 6.663 13.732 -10.315 1.00 15.44 H new ATOM 0 HA ILE A 12 6.782 16.240 -9.077 1.00 14.13 H new ATOM 0 HB ILE A 12 8.433 13.704 -8.772 1.00 52.21 H new ATOM 0 HG12 ILE A 12 5.933 13.810 -8.185 1.00 54.35 H new ATOM 0 HG13 ILE A 12 7.032 13.183 -6.973 1.00 54.35 H new ATOM 0 HG21 ILE A 12 9.265 14.651 -6.655 1.00 74.31 H new ATOM 0 HG22 ILE A 12 9.795 15.610 -8.057 1.00 74.31 H new ATOM 0 HG23 ILE A 12 8.462 16.193 -7.033 1.00 74.31 H new ATOM 0 HD11 ILE A 12 5.394 14.698 -5.970 1.00 21.14 H new ATOM 0 HD12 ILE A 12 7.035 15.369 -5.825 1.00 21.14 H new ATOM 0 HD13 ILE A 12 5.919 16.006 -7.056 1.00 21.14 H new ATOM 177 N ASN A 13 9.354 15.456 -10.992 1.00 2.51 N ATOM 178 CA ASN A 13 10.529 15.998 -11.665 1.00 24.14 C ATOM 179 C ASN A 13 10.143 17.140 -12.600 1.00 21.23 C ATOM 180 O ASN A 13 10.996 17.911 -13.041 1.00 0.42 O ATOM 181 CB ASN A 13 11.244 14.898 -12.453 1.00 13.04 C ATOM 182 CG ASN A 13 12.564 14.499 -11.822 1.00 10.31 C ATOM 183 OD1 ASN A 13 13.465 15.324 -11.668 1.00 64.44 O ATOM 184 ND2 ASN A 13 12.684 13.229 -11.453 1.00 54.21 N ATOM 0 H ASN A 13 9.121 14.499 -11.255 1.00 2.51 H new ATOM 0 HA ASN A 13 11.205 16.388 -10.904 1.00 24.14 H new ATOM 0 HB2 ASN A 13 10.597 14.023 -12.519 1.00 13.04 H new ATOM 0 HB3 ASN A 13 11.421 15.241 -13.472 1.00 13.04 H new ATOM 0 HD21 ASN A 13 13.549 12.903 -11.023 1.00 54.21 H new ATOM 0 HD22 ASN A 13 11.911 12.580 -11.600 1.00 54.21 H new ATOM 191 N LEU A 14 8.853 17.242 -12.898 1.00 14.23 N ATOM 192 CA LEU A 14 8.352 18.290 -13.780 1.00 51.40 C ATOM 193 C LEU A 14 8.003 19.547 -12.989 1.00 45.43 C ATOM 194 O LEU A 14 7.995 20.652 -13.533 1.00 50.12 O ATOM 195 CB LEU A 14 7.122 17.797 -14.544 1.00 14.14 C ATOM 196 CG LEU A 14 7.130 18.032 -16.054 1.00 45.35 C ATOM 197 CD1 LEU A 14 6.578 16.819 -16.787 1.00 3.22 C ATOM 198 CD2 LEU A 14 6.331 19.279 -16.405 1.00 31.31 C ATOM 0 H LEU A 14 8.135 16.612 -12.542 1.00 14.23 H new ATOM 0 HA LEU A 14 9.139 18.538 -14.492 1.00 51.40 H new ATOM 0 HB2 LEU A 14 7.012 16.728 -14.364 1.00 14.14 H new ATOM 0 HB3 LEU A 14 6.241 18.283 -14.126 1.00 14.14 H new ATOM 0 HG LEU A 14 8.161 18.184 -16.372 1.00 45.35 H new ATOM 0 HD11 LEU A 14 6.592 17.005 -17.861 1.00 3.22 H new ATOM 0 HD12 LEU A 14 7.192 15.947 -16.562 1.00 3.22 H new ATOM 0 HD13 LEU A 14 5.554 16.634 -16.464 1.00 3.22 H new ATOM 0 HD21 LEU A 14 6.348 19.430 -17.484 1.00 31.31 H new ATOM 0 HD22 LEU A 14 5.300 19.156 -16.072 1.00 31.31 H new ATOM 0 HD23 LEU A 14 6.772 20.145 -15.910 1.00 31.31 H new ATOM 210 N ILE A 15 7.719 19.371 -11.703 1.00 52.35 N ATOM 211 CA ILE A 15 7.373 20.492 -10.838 1.00 23.24 C ATOM 212 C ILE A 15 8.619 21.258 -10.406 1.00 64.41 C ATOM 213 O ILE A 15 8.578 22.473 -10.214 1.00 55.22 O ATOM 214 CB ILE A 15 6.614 20.021 -9.583 1.00 71.33 C ATOM 215 CG1 ILE A 15 5.300 19.345 -9.980 1.00 31.40 C ATOM 216 CG2 ILE A 15 6.352 21.194 -8.651 1.00 52.00 C ATOM 217 CD1 ILE A 15 4.373 20.242 -10.770 1.00 31.04 C ATOM 0 H ILE A 15 7.722 18.463 -11.237 1.00 52.35 H new ATOM 0 HA ILE A 15 6.727 21.151 -11.418 1.00 23.24 H new ATOM 0 HB ILE A 15 7.230 19.294 -9.055 1.00 71.33 H new ATOM 0 HG12 ILE A 15 5.522 18.456 -10.570 1.00 31.40 H new ATOM 0 HG13 ILE A 15 4.787 19.009 -9.079 1.00 31.40 H new ATOM 0 HG21 ILE A 15 5.815 20.845 -7.769 1.00 52.00 H new ATOM 0 HG22 ILE A 15 7.301 21.636 -8.347 1.00 52.00 H new ATOM 0 HG23 ILE A 15 5.752 21.943 -9.168 1.00 52.00 H new ATOM 0 HD11 ILE A 15 3.462 19.697 -11.017 1.00 31.04 H new ATOM 0 HD12 ILE A 15 4.121 21.119 -10.174 1.00 31.04 H new ATOM 0 HD13 ILE A 15 4.867 20.557 -11.689 1.00 31.04 H new ATOM 229 N ILE A 16 9.727 20.539 -10.257 1.00 32.20 N ATOM 230 CA ILE A 16 10.986 21.151 -9.851 1.00 53.32 C ATOM 231 C ILE A 16 11.327 22.345 -10.737 1.00 61.42 C ATOM 232 O ILE A 16 11.505 23.468 -10.266 1.00 44.14 O ATOM 233 CB ILE A 16 12.146 20.140 -9.902 1.00 20.10 C ATOM 234 CG1 ILE A 16 12.272 19.408 -8.564 1.00 63.03 C ATOM 235 CG2 ILE A 16 13.448 20.845 -10.251 1.00 62.22 C ATOM 236 CD1 ILE A 16 12.896 20.248 -7.472 1.00 41.42 C ATOM 0 H ILE A 16 9.778 19.532 -10.411 1.00 32.20 H new ATOM 0 HA ILE A 16 10.856 21.489 -8.823 1.00 53.32 H new ATOM 0 HB ILE A 16 11.934 19.405 -10.679 1.00 20.10 H new ATOM 0 HG12 ILE A 16 11.282 19.084 -8.242 1.00 63.03 H new ATOM 0 HG13 ILE A 16 12.871 18.508 -8.706 1.00 63.03 H new ATOM 0 HG21 ILE A 16 14.259 20.117 -10.283 1.00 62.22 H new ATOM 0 HG22 ILE A 16 13.352 21.325 -11.225 1.00 62.22 H new ATOM 0 HG23 ILE A 16 13.667 21.599 -9.495 1.00 62.22 H new ATOM 0 HD11 ILE A 16 12.954 19.665 -6.553 1.00 41.42 H new ATOM 0 HD12 ILE A 16 13.899 20.550 -7.774 1.00 41.42 H new ATOM 0 HD13 ILE A 16 12.286 21.135 -7.302 1.00 41.42 H new ATOM 248 N PRO A 17 11.419 22.098 -12.052 1.00 62.24 N ATOM 249 CA PRO A 17 11.737 23.140 -13.033 1.00 25.00 C ATOM 250 C PRO A 17 10.602 24.144 -13.201 1.00 60.22 C ATOM 251 O PRO A 17 10.839 25.328 -13.446 1.00 35.55 O ATOM 252 CB PRO A 17 11.953 22.354 -14.329 1.00 12.03 C ATOM 253 CG PRO A 17 11.159 21.106 -14.151 1.00 23.31 C ATOM 254 CD PRO A 17 11.219 20.783 -12.684 1.00 22.54 C ATOM 0 HA PRO A 17 12.599 23.735 -12.731 1.00 25.00 H new ATOM 0 HB2 PRO A 17 11.613 22.919 -15.197 1.00 12.03 H new ATOM 0 HB3 PRO A 17 13.009 22.133 -14.487 1.00 12.03 H new ATOM 0 HG2 PRO A 17 10.129 21.249 -14.477 1.00 23.31 H new ATOM 0 HG3 PRO A 17 11.572 20.292 -14.747 1.00 23.31 H new ATOM 0 HD2 PRO A 17 10.301 20.307 -12.340 1.00 22.54 H new ATOM 0 HD3 PRO A 17 12.037 20.099 -12.456 1.00 22.54 H new ATOM 262 N CYS A 18 9.370 23.664 -13.069 1.00 4.32 N ATOM 263 CA CYS A 18 8.198 24.521 -13.207 1.00 34.53 C ATOM 264 C CYS A 18 8.313 25.749 -12.311 1.00 1.34 C ATOM 265 O CYS A 18 8.225 26.884 -12.780 1.00 62.13 O ATOM 266 CB CYS A 18 6.928 23.741 -12.862 1.00 72.23 C ATOM 267 SG CYS A 18 5.417 24.734 -12.906 1.00 62.52 S ATOM 0 H CYS A 18 9.157 22.687 -12.867 1.00 4.32 H new ATOM 0 HA CYS A 18 8.142 24.854 -14.243 1.00 34.53 H new ATOM 0 HB2 CYS A 18 6.824 22.910 -13.559 1.00 72.23 H new ATOM 0 HB3 CYS A 18 7.038 23.310 -11.867 1.00 72.23 H new ATOM 0 HG CYS A 18 4.398 23.987 -12.603 1.00 62.52 H new ATOM 273 N VAL A 19 8.509 25.516 -11.017 1.00 22.52 N ATOM 274 CA VAL A 19 8.636 26.603 -10.054 1.00 41.10 C ATOM 275 C VAL A 19 9.997 27.280 -10.166 1.00 43.31 C ATOM 276 O VAL A 19 10.163 28.435 -9.771 1.00 0.20 O ATOM 277 CB VAL A 19 8.442 26.101 -8.611 1.00 22.30 C ATOM 278 CG1 VAL A 19 7.002 25.667 -8.385 1.00 53.43 C ATOM 279 CG2 VAL A 19 9.404 24.961 -8.310 1.00 72.13 C ATOM 0 H VAL A 19 8.583 24.583 -10.611 1.00 22.52 H new ATOM 0 HA VAL A 19 7.854 27.325 -10.287 1.00 41.10 H new ATOM 0 HB VAL A 19 8.660 26.921 -7.927 1.00 22.30 H new ATOM 0 HG11 VAL A 19 6.885 25.315 -7.360 1.00 53.43 H new ATOM 0 HG12 VAL A 19 6.336 26.512 -8.557 1.00 53.43 H new ATOM 0 HG13 VAL A 19 6.752 24.862 -9.076 1.00 53.43 H new ATOM 0 HG21 VAL A 19 9.253 24.618 -7.286 1.00 72.13 H new ATOM 0 HG22 VAL A 19 9.219 24.137 -8.999 1.00 72.13 H new ATOM 0 HG23 VAL A 19 10.430 25.310 -8.429 1.00 72.13 H new ATOM 289 N LEU A 20 10.970 26.555 -10.708 1.00 13.14 N ATOM 290 CA LEU A 20 12.319 27.086 -10.873 1.00 35.31 C ATOM 291 C LEU A 20 12.342 28.198 -11.916 1.00 51.40 C ATOM 292 O LEU A 20 12.935 29.255 -11.697 1.00 65.14 O ATOM 293 CB LEU A 20 13.281 25.969 -11.281 1.00 32.34 C ATOM 294 CG LEU A 20 14.770 26.312 -11.225 1.00 52.03 C ATOM 295 CD1 LEU A 20 15.574 25.123 -10.723 1.00 34.22 C ATOM 296 CD2 LEU A 20 15.267 26.754 -12.594 1.00 75.32 C ATOM 0 H LEU A 20 10.850 25.598 -11.041 1.00 13.14 H new ATOM 0 HA LEU A 20 12.639 27.502 -9.918 1.00 35.31 H new ATOM 0 HB2 LEU A 20 13.102 25.109 -10.636 1.00 32.34 H new ATOM 0 HB3 LEU A 20 13.038 25.661 -12.298 1.00 32.34 H new ATOM 0 HG LEU A 20 14.907 27.137 -10.526 1.00 52.03 H new ATOM 0 HD11 LEU A 20 16.631 25.386 -10.690 1.00 34.22 H new ATOM 0 HD12 LEU A 20 15.236 24.852 -9.723 1.00 34.22 H new ATOM 0 HD13 LEU A 20 15.432 24.277 -11.396 1.00 34.22 H new ATOM 0 HD21 LEU A 20 16.329 26.994 -12.536 1.00 75.32 H new ATOM 0 HD22 LEU A 20 15.116 25.949 -13.313 1.00 75.32 H new ATOM 0 HD23 LEU A 20 14.713 27.636 -12.915 1.00 75.32 H new ATOM 308 N ILE A 21 11.691 27.954 -13.048 1.00 41.54 N ATOM 309 CA ILE A 21 11.635 28.937 -14.123 1.00 53.24 C ATOM 310 C ILE A 21 10.856 30.176 -13.695 1.00 55.14 C ATOM 311 O ILE A 21 11.267 31.306 -13.962 1.00 24.22 O ATOM 312 CB ILE A 21 10.986 28.349 -15.390 1.00 62.05 C ATOM 313 CG1 ILE A 21 11.914 27.316 -16.032 1.00 64.41 C ATOM 314 CG2 ILE A 21 10.654 29.457 -16.379 1.00 24.12 C ATOM 315 CD1 ILE A 21 11.202 26.057 -16.476 1.00 43.24 C ATOM 0 H ILE A 21 11.195 27.085 -13.245 1.00 41.54 H new ATOM 0 HA ILE A 21 12.664 29.217 -14.348 1.00 53.24 H new ATOM 0 HB ILE A 21 10.058 27.851 -15.107 1.00 62.05 H new ATOM 0 HG12 ILE A 21 12.407 27.768 -16.893 1.00 64.41 H new ATOM 0 HG13 ILE A 21 12.696 27.050 -15.320 1.00 64.41 H new ATOM 0 HG21 ILE A 21 10.196 29.025 -17.269 1.00 24.12 H new ATOM 0 HG22 ILE A 21 9.960 30.160 -15.918 1.00 24.12 H new ATOM 0 HG23 ILE A 21 11.568 29.981 -16.659 1.00 24.12 H new ATOM 0 HD11 ILE A 21 11.921 25.370 -16.922 1.00 43.24 H new ATOM 0 HD12 ILE A 21 10.732 25.582 -15.615 1.00 43.24 H new ATOM 0 HD13 ILE A 21 10.439 26.311 -17.212 1.00 43.24 H new ATOM 327 N THR A 22 9.727 29.957 -13.028 1.00 54.40 N ATOM 328 CA THR A 22 8.889 31.055 -12.562 1.00 4.42 C ATOM 329 C THR A 22 9.655 31.962 -11.605 1.00 15.14 C ATOM 330 O THR A 22 9.645 33.184 -11.751 1.00 45.25 O ATOM 331 CB THR A 22 7.623 30.535 -11.856 1.00 54.52 C ATOM 332 OG1 THR A 22 7.010 29.509 -12.644 1.00 33.42 O ATOM 333 CG2 THR A 22 6.630 31.665 -11.625 1.00 20.21 C ATOM 0 H THR A 22 9.372 29.029 -12.798 1.00 54.40 H new ATOM 0 HA THR A 22 8.596 31.625 -13.443 1.00 4.42 H new ATOM 0 HB THR A 22 7.915 30.125 -10.889 1.00 54.52 H new ATOM 0 HG1 THR A 22 7.468 28.657 -12.485 1.00 33.42 H new ATOM 0 HG21 THR A 22 5.744 31.274 -11.125 1.00 20.21 H new ATOM 0 HG22 THR A 22 7.090 32.432 -11.001 1.00 20.21 H new ATOM 0 HG23 THR A 22 6.344 32.100 -12.583 1.00 20.21 H new ATOM 341 N SER A 23 10.317 31.356 -10.624 1.00 73.15 N ATOM 342 CA SER A 23 11.085 32.110 -9.641 1.00 21.33 C ATOM 343 C SER A 23 12.123 32.995 -10.324 1.00 54.13 C ATOM 344 O SER A 23 12.358 34.130 -9.908 1.00 41.34 O ATOM 345 CB SER A 23 11.776 31.157 -8.663 1.00 12.00 C ATOM 346 OG SER A 23 13.084 30.836 -9.102 1.00 43.10 O ATOM 0 H SER A 23 10.337 30.345 -10.489 1.00 73.15 H new ATOM 0 HA SER A 23 10.395 32.749 -9.090 1.00 21.33 H new ATOM 0 HB2 SER A 23 11.823 31.616 -7.675 1.00 12.00 H new ATOM 0 HB3 SER A 23 11.188 30.244 -8.563 1.00 12.00 H new ATOM 0 HG SER A 23 13.032 30.312 -9.929 1.00 43.10 H new ATOM 352 N LEU A 24 12.740 32.468 -11.376 1.00 23.14 N ATOM 353 CA LEU A 24 13.753 33.209 -12.119 1.00 5.02 C ATOM 354 C LEU A 24 13.175 34.500 -12.689 1.00 72.24 C ATOM 355 O LEU A 24 13.787 35.563 -12.591 1.00 31.21 O ATOM 356 CB LEU A 24 14.318 32.346 -13.249 1.00 0.51 C ATOM 357 CG LEU A 24 15.778 31.917 -13.101 1.00 2.44 C ATOM 358 CD1 LEU A 24 16.136 30.872 -14.145 1.00 60.41 C ATOM 359 CD2 LEU A 24 16.702 33.122 -13.211 1.00 32.22 C ATOM 0 H LEU A 24 12.556 31.531 -11.734 1.00 23.14 H new ATOM 0 HA LEU A 24 14.558 33.467 -11.430 1.00 5.02 H new ATOM 0 HB2 LEU A 24 13.704 31.450 -13.336 1.00 0.51 H new ATOM 0 HB3 LEU A 24 14.215 32.895 -14.185 1.00 0.51 H new ATOM 0 HG LEU A 24 15.908 31.473 -12.114 1.00 2.44 H new ATOM 0 HD11 LEU A 24 17.179 30.579 -14.024 1.00 60.41 H new ATOM 0 HD12 LEU A 24 15.497 29.998 -14.019 1.00 60.41 H new ATOM 0 HD13 LEU A 24 15.990 31.288 -15.142 1.00 60.41 H new ATOM 0 HD21 LEU A 24 17.737 32.798 -13.103 1.00 32.22 H new ATOM 0 HD22 LEU A 24 16.569 33.595 -14.184 1.00 32.22 H new ATOM 0 HD23 LEU A 24 16.462 33.837 -12.424 1.00 32.22 H new ATOM 371 N ALA A 25 11.991 34.399 -13.284 1.00 54.22 N ATOM 372 CA ALA A 25 11.327 35.559 -13.867 1.00 2.15 C ATOM 373 C ALA A 25 10.930 36.563 -12.789 1.00 71.43 C ATOM 374 O ALA A 25 10.868 37.766 -13.042 1.00 12.22 O ATOM 375 CB ALA A 25 10.105 35.124 -14.662 1.00 2.11 C ATOM 0 H ALA A 25 11.472 33.526 -13.375 1.00 54.22 H new ATOM 0 HA ALA A 25 12.030 36.048 -14.542 1.00 2.15 H new ATOM 0 HB1 ALA A 25 9.619 36.000 -15.091 1.00 2.11 H new ATOM 0 HB2 ALA A 25 10.412 34.451 -15.462 1.00 2.11 H new ATOM 0 HB3 ALA A 25 9.407 34.609 -14.003 1.00 2.11 H new ATOM 381 N ILE A 26 10.661 36.060 -11.589 1.00 64.21 N ATOM 382 CA ILE A 26 10.271 36.913 -10.474 1.00 15.21 C ATOM 383 C ILE A 26 11.456 37.721 -9.958 1.00 4.11 C ATOM 384 O ILE A 26 11.316 38.891 -9.599 1.00 33.14 O ATOM 385 CB ILE A 26 9.681 36.089 -9.314 1.00 5.02 C ATOM 386 CG1 ILE A 26 8.422 35.351 -9.772 1.00 30.21 C ATOM 387 CG2 ILE A 26 9.372 36.990 -8.128 1.00 1.04 C ATOM 388 CD1 ILE A 26 8.072 34.160 -8.908 1.00 33.24 C ATOM 0 H ILE A 26 10.706 35.066 -11.364 1.00 64.21 H new ATOM 0 HA ILE A 26 9.507 37.594 -10.850 1.00 15.21 H new ATOM 0 HB ILE A 26 10.418 35.350 -9.001 1.00 5.02 H new ATOM 0 HG12 ILE A 26 7.583 36.047 -9.774 1.00 30.21 H new ATOM 0 HG13 ILE A 26 8.561 35.016 -10.800 1.00 30.21 H new ATOM 0 HG21 ILE A 26 8.956 36.393 -7.316 1.00 1.04 H new ATOM 0 HG22 ILE A 26 10.289 37.473 -7.790 1.00 1.04 H new ATOM 0 HG23 ILE A 26 8.650 37.750 -8.427 1.00 1.04 H new ATOM 0 HD11 ILE A 26 7.169 33.685 -9.291 1.00 33.24 H new ATOM 0 HD12 ILE A 26 8.894 33.444 -8.925 1.00 33.24 H new ATOM 0 HD13 ILE A 26 7.901 34.491 -7.884 1.00 33.24 H new ATOM 400 N LEU A 27 12.625 37.091 -9.925 1.00 62.42 N ATOM 401 CA LEU A 27 13.838 37.751 -9.455 1.00 11.11 C ATOM 402 C LEU A 27 14.169 38.962 -10.321 1.00 1.31 C ATOM 403 O LEU A 27 14.441 40.049 -9.809 1.00 61.35 O ATOM 404 CB LEU A 27 15.011 36.770 -9.460 1.00 65.12 C ATOM 405 CG LEU A 27 15.359 36.132 -8.115 1.00 32.32 C ATOM 406 CD1 LEU A 27 15.990 34.763 -8.320 1.00 52.32 C ATOM 407 CD2 LEU A 27 16.289 37.036 -7.320 1.00 2.22 C ATOM 0 H LEU A 27 12.759 36.123 -10.218 1.00 62.42 H new ATOM 0 HA LEU A 27 13.664 38.094 -8.435 1.00 11.11 H new ATOM 0 HB2 LEU A 27 14.789 35.974 -10.171 1.00 65.12 H new ATOM 0 HB3 LEU A 27 15.893 37.292 -9.831 1.00 65.12 H new ATOM 0 HG LEU A 27 14.437 36.003 -7.547 1.00 32.32 H new ATOM 0 HD11 LEU A 27 16.231 34.325 -7.352 1.00 52.32 H new ATOM 0 HD12 LEU A 27 15.290 34.115 -8.848 1.00 52.32 H new ATOM 0 HD13 LEU A 27 16.902 34.867 -8.908 1.00 52.32 H new ATOM 0 HD21 LEU A 27 16.526 36.565 -6.366 1.00 2.22 H new ATOM 0 HD22 LEU A 27 17.208 37.198 -7.883 1.00 2.22 H new ATOM 0 HD23 LEU A 27 15.800 37.994 -7.141 1.00 2.22 H new ATOM 419 N VAL A 28 14.142 38.769 -11.636 1.00 21.43 N ATOM 420 CA VAL A 28 14.436 39.846 -12.573 1.00 61.44 C ATOM 421 C VAL A 28 13.483 41.019 -12.379 1.00 15.21 C ATOM 422 O VAL A 28 13.880 42.180 -12.481 1.00 63.22 O ATOM 423 CB VAL A 28 14.344 39.360 -14.032 1.00 44.33 C ATOM 424 CG1 VAL A 28 14.788 40.457 -14.989 1.00 34.22 C ATOM 425 CG2 VAL A 28 15.177 38.102 -14.228 1.00 52.21 C ATOM 0 H VAL A 28 13.919 37.876 -12.076 1.00 21.43 H new ATOM 0 HA VAL A 28 15.456 40.173 -12.370 1.00 61.44 H new ATOM 0 HB VAL A 28 13.304 39.118 -14.251 1.00 44.33 H new ATOM 0 HG11 VAL A 28 14.716 40.096 -16.015 1.00 34.22 H new ATOM 0 HG12 VAL A 28 14.146 41.329 -14.866 1.00 34.22 H new ATOM 0 HG13 VAL A 28 15.820 40.733 -14.773 1.00 34.22 H new ATOM 0 HG21 VAL A 28 15.100 37.773 -15.264 1.00 52.21 H new ATOM 0 HG22 VAL A 28 16.219 38.315 -13.991 1.00 52.21 H new ATOM 0 HG23 VAL A 28 14.809 37.316 -13.569 1.00 52.21 H new ATOM 435 N PHE A 29 12.221 40.709 -12.097 1.00 43.23 N ATOM 436 CA PHE A 29 11.209 41.738 -11.888 1.00 45.34 C ATOM 437 C PHE A 29 11.404 42.426 -10.540 1.00 53.44 C ATOM 438 O PHE A 29 11.009 43.578 -10.356 1.00 75.12 O ATOM 439 CB PHE A 29 9.808 41.129 -11.965 1.00 62.24 C ATOM 440 CG PHE A 29 9.100 41.415 -13.259 1.00 24.50 C ATOM 441 CD1 PHE A 29 8.346 42.566 -13.411 1.00 53.43 C ATOM 442 CD2 PHE A 29 9.189 40.531 -14.322 1.00 64.25 C ATOM 443 CE1 PHE A 29 7.693 42.833 -14.601 1.00 23.45 C ATOM 444 CE2 PHE A 29 8.540 40.792 -15.514 1.00 73.11 C ATOM 445 CZ PHE A 29 7.790 41.943 -15.653 1.00 12.51 C ATOM 0 H PHE A 29 11.875 39.753 -12.008 1.00 43.23 H new ATOM 0 HA PHE A 29 11.317 42.484 -12.676 1.00 45.34 H new ATOM 0 HB2 PHE A 29 9.882 40.050 -11.831 1.00 62.24 H new ATOM 0 HB3 PHE A 29 9.208 41.512 -11.139 1.00 62.24 H new ATOM 0 HD1 PHE A 29 8.267 43.264 -12.591 1.00 53.43 H new ATOM 0 HD2 PHE A 29 9.772 39.628 -14.218 1.00 64.25 H new ATOM 0 HE1 PHE A 29 7.109 43.735 -14.707 1.00 23.45 H new ATOM 0 HE2 PHE A 29 8.619 40.096 -16.336 1.00 73.11 H new ATOM 0 HZ PHE A 29 7.280 42.147 -16.583 1.00 12.51 H new ATOM 455 N TYR A 30 12.014 41.713 -9.601 1.00 63.53 N ATOM 456 CA TYR A 30 12.259 42.252 -8.269 1.00 14.10 C ATOM 457 C TYR A 30 13.558 43.051 -8.234 1.00 70.25 C ATOM 458 O TYR A 30 13.803 43.820 -7.304 1.00 44.34 O ATOM 459 CB TYR A 30 12.315 41.121 -7.240 1.00 55.33 C ATOM 460 CG TYR A 30 10.964 40.758 -6.666 1.00 11.24 C ATOM 461 CD1 TYR A 30 9.813 40.837 -7.441 1.00 4.01 C ATOM 462 CD2 TYR A 30 10.838 40.337 -5.348 1.00 0.44 C ATOM 463 CE1 TYR A 30 8.577 40.507 -6.920 1.00 42.00 C ATOM 464 CE2 TYR A 30 9.606 40.004 -4.819 1.00 22.12 C ATOM 465 CZ TYR A 30 8.479 40.091 -5.609 1.00 32.42 C ATOM 466 OH TYR A 30 7.250 39.761 -5.085 1.00 73.33 O ATOM 0 H TYR A 30 12.348 40.759 -9.738 1.00 63.53 H new ATOM 0 HA TYR A 30 11.436 42.921 -8.019 1.00 14.10 H new ATOM 0 HB2 TYR A 30 12.752 40.238 -7.706 1.00 55.33 H new ATOM 0 HB3 TYR A 30 12.979 41.413 -6.427 1.00 55.33 H new ATOM 0 HD1 TYR A 30 9.886 41.162 -8.468 1.00 4.01 H new ATOM 0 HD2 TYR A 30 11.718 40.269 -4.726 1.00 0.44 H new ATOM 0 HE1 TYR A 30 7.692 40.574 -7.536 1.00 42.00 H new ATOM 0 HE2 TYR A 30 9.526 39.677 -3.793 1.00 22.12 H new ATOM 0 HH TYR A 30 7.356 39.487 -4.150 1.00 73.33 H new ATOM 476 N LEU A 31 14.387 42.863 -9.255 1.00 62.11 N ATOM 477 CA LEU A 31 15.662 43.566 -9.344 1.00 65.22 C ATOM 478 C LEU A 31 15.651 44.572 -10.490 1.00 53.23 C ATOM 479 O LEU A 31 14.838 44.492 -11.411 1.00 74.12 O ATOM 480 CB LEU A 31 16.805 42.567 -9.539 1.00 10.42 C ATOM 481 CG LEU A 31 17.490 42.075 -8.264 1.00 21.53 C ATOM 482 CD1 LEU A 31 16.502 41.329 -7.381 1.00 14.14 C ATOM 483 CD2 LEU A 31 18.678 41.187 -8.606 1.00 33.54 C ATOM 0 H LEU A 31 14.199 42.230 -10.032 1.00 62.11 H new ATOM 0 HA LEU A 31 15.815 44.108 -8.411 1.00 65.22 H new ATOM 0 HB2 LEU A 31 16.417 41.702 -10.076 1.00 10.42 H new ATOM 0 HB3 LEU A 31 17.558 43.027 -10.178 1.00 10.42 H new ATOM 0 HG LEU A 31 17.856 42.942 -7.713 1.00 21.53 H new ATOM 0 HD11 LEU A 31 17.008 40.986 -6.478 1.00 14.14 H new ATOM 0 HD12 LEU A 31 15.683 41.995 -7.108 1.00 14.14 H new ATOM 0 HD13 LEU A 31 16.106 40.470 -7.923 1.00 14.14 H new ATOM 0 HD21 LEU A 31 19.154 40.846 -7.687 1.00 33.54 H new ATOM 0 HD22 LEU A 31 18.335 40.325 -9.179 1.00 33.54 H new ATOM 0 HD23 LEU A 31 19.397 41.753 -9.198 1.00 33.54 H new ATOM 495 N PRO A 32 16.575 45.543 -10.436 1.00 21.45 N ATOM 496 CA PRO A 32 16.694 46.582 -11.463 1.00 34.24 C ATOM 497 C PRO A 32 17.209 46.031 -12.788 1.00 33.11 C ATOM 498 O PRO A 32 18.414 45.871 -12.978 1.00 44.21 O ATOM 499 CB PRO A 32 17.705 47.561 -10.861 1.00 71.04 C ATOM 500 CG PRO A 32 18.513 46.739 -9.917 1.00 50.15 C ATOM 501 CD PRO A 32 17.576 45.700 -9.367 1.00 61.41 C ATOM 0 HA PRO A 32 15.731 47.034 -11.699 1.00 34.24 H new ATOM 0 HB2 PRO A 32 18.332 48.008 -11.633 1.00 71.04 H new ATOM 0 HB3 PRO A 32 17.204 48.379 -10.344 1.00 71.04 H new ATOM 0 HG2 PRO A 32 19.356 46.273 -10.428 1.00 50.15 H new ATOM 0 HG3 PRO A 32 18.926 47.355 -9.118 1.00 50.15 H new ATOM 0 HD2 PRO A 32 18.092 44.763 -9.159 1.00 61.41 H new ATOM 0 HD3 PRO A 32 17.119 46.026 -8.433 1.00 61.41 H new ATOM 509 N SER A 33 16.288 45.742 -13.702 1.00 15.43 N ATOM 510 CA SER A 33 16.649 45.206 -15.009 1.00 31.14 C ATOM 511 C SER A 33 15.595 45.562 -16.052 1.00 52.14 C ATOM 512 O SER A 33 14.591 44.865 -16.200 1.00 13.14 O ATOM 513 CB SER A 33 16.814 43.687 -14.932 1.00 22.12 C ATOM 514 OG SER A 33 17.920 43.254 -15.706 1.00 14.51 O ATOM 0 H SER A 33 15.286 45.870 -13.561 1.00 15.43 H new ATOM 0 HA SER A 33 17.597 45.653 -15.309 1.00 31.14 H new ATOM 0 HB2 SER A 33 16.952 43.385 -13.894 1.00 22.12 H new ATOM 0 HB3 SER A 33 15.905 43.201 -15.287 1.00 22.12 H new ATOM 0 HG SER A 33 18.005 42.280 -15.639 1.00 14.51 H new ATOM 520 N ASP A 34 15.831 46.652 -16.774 1.00 61.24 N ATOM 521 CA ASP A 34 14.904 47.102 -17.806 1.00 35.41 C ATOM 522 C ASP A 34 15.640 47.392 -19.110 1.00 21.20 C ATOM 523 O ASP A 34 15.148 48.134 -19.961 1.00 35.14 O ATOM 524 CB ASP A 34 14.155 48.351 -17.339 1.00 43.33 C ATOM 525 CG ASP A 34 13.483 48.155 -15.995 1.00 12.22 C ATOM 526 OD1 ASP A 34 12.547 47.332 -15.914 1.00 31.04 O ATOM 527 OD2 ASP A 34 13.893 48.824 -15.024 1.00 12.23 O ATOM 0 H ASP A 34 16.657 47.241 -16.664 1.00 61.24 H new ATOM 0 HA ASP A 34 14.185 46.303 -17.987 1.00 35.41 H new ATOM 0 HB2 ASP A 34 14.852 49.186 -17.275 1.00 43.33 H new ATOM 0 HB3 ASP A 34 13.404 48.619 -18.082 1.00 43.33 H new ATOM 532 N CYS A 35 16.821 46.803 -19.260 1.00 5.34 N ATOM 533 CA CYS A 35 17.627 47.000 -20.459 1.00 43.34 C ATOM 534 C CYS A 35 17.073 46.189 -21.626 1.00 21.22 C ATOM 535 O CYS A 35 17.357 46.478 -22.787 1.00 44.02 O ATOM 536 CB CYS A 35 19.081 46.606 -20.193 1.00 52.01 C ATOM 537 SG CYS A 35 20.253 47.976 -20.326 1.00 23.03 S ATOM 0 H CYS A 35 17.242 46.185 -18.566 1.00 5.34 H new ATOM 0 HA CYS A 35 17.588 48.057 -20.723 1.00 43.34 H new ATOM 0 HB2 CYS A 35 19.153 46.176 -19.194 1.00 52.01 H new ATOM 0 HB3 CYS A 35 19.369 45.826 -20.897 1.00 52.01 H new ATOM 0 HG CYS A 35 21.455 47.544 -20.082 1.00 23.03 H new ATOM 543 N GLY A 36 16.281 45.169 -21.308 1.00 12.45 N ATOM 544 CA GLY A 36 15.701 44.330 -22.340 1.00 14.43 C ATOM 545 C GLY A 36 15.696 42.863 -21.960 1.00 1.05 C ATOM 546 O GLY A 36 15.076 42.043 -22.635 1.00 61.33 O ATOM 0 H GLY A 36 16.031 44.909 -20.354 1.00 12.45 H new ATOM 0 HA2 GLY A 36 14.679 44.655 -22.536 1.00 14.43 H new ATOM 0 HA3 GLY A 36 16.260 44.460 -23.267 1.00 14.43 H new ATOM 550 N GLU A 37 16.391 42.532 -20.876 1.00 31.14 N ATOM 551 CA GLU A 37 16.466 41.152 -20.409 1.00 52.40 C ATOM 552 C GLU A 37 15.070 40.557 -20.245 1.00 24.00 C ATOM 553 O GLU A 37 14.875 39.352 -20.402 1.00 35.44 O ATOM 554 CB GLU A 37 17.222 41.080 -19.081 1.00 44.11 C ATOM 555 CG GLU A 37 18.159 39.888 -18.978 1.00 44.34 C ATOM 556 CD GLU A 37 17.726 38.895 -17.917 1.00 42.43 C ATOM 557 OE1 GLU A 37 16.703 38.211 -18.129 1.00 22.13 O ATOM 558 OE2 GLU A 37 18.409 38.803 -16.876 1.00 43.03 O ATOM 0 H GLU A 37 16.910 43.200 -20.305 1.00 31.14 H new ATOM 0 HA GLU A 37 17.005 40.571 -21.157 1.00 52.40 H new ATOM 0 HB2 GLU A 37 17.798 41.996 -18.950 1.00 44.11 H new ATOM 0 HB3 GLU A 37 16.501 41.037 -18.264 1.00 44.11 H new ATOM 0 HG2 GLU A 37 18.207 39.384 -19.943 1.00 44.34 H new ATOM 0 HG3 GLU A 37 19.165 40.240 -18.751 1.00 44.34 H new ATOM 565 N LYS A 38 14.103 41.411 -19.928 1.00 31.33 N ATOM 566 CA LYS A 38 12.725 40.972 -19.743 1.00 31.25 C ATOM 567 C LYS A 38 12.212 40.249 -20.984 1.00 44.44 C ATOM 568 O LYS A 38 11.745 39.114 -20.904 1.00 72.14 O ATOM 569 CB LYS A 38 11.825 42.169 -19.428 1.00 33.32 C ATOM 570 CG LYS A 38 11.192 42.108 -18.048 1.00 62.12 C ATOM 571 CD LYS A 38 12.199 42.436 -16.958 1.00 71.23 C ATOM 572 CE LYS A 38 11.511 42.917 -15.690 1.00 74.31 C ATOM 573 NZ LYS A 38 11.880 44.320 -15.357 1.00 10.25 N ATOM 0 H LYS A 38 14.248 42.412 -19.794 1.00 31.33 H new ATOM 0 HA LYS A 38 12.701 40.276 -18.904 1.00 31.25 H new ATOM 0 HB2 LYS A 38 12.411 43.085 -19.510 1.00 33.32 H new ATOM 0 HB3 LYS A 38 11.036 42.227 -20.178 1.00 33.32 H new ATOM 0 HG2 LYS A 38 10.359 42.809 -17.998 1.00 62.12 H new ATOM 0 HG3 LYS A 38 10.782 41.112 -17.878 1.00 62.12 H new ATOM 0 HD2 LYS A 38 12.797 41.552 -16.736 1.00 71.23 H new ATOM 0 HD3 LYS A 38 12.885 43.204 -17.314 1.00 71.23 H new ATOM 0 HE2 LYS A 38 10.430 42.845 -15.814 1.00 74.31 H new ATOM 0 HE3 LYS A 38 11.781 42.264 -14.860 1.00 74.31 H new ATOM 0 HZ1 LYS A 38 11.780 44.472 -14.333 1.00 10.25 H new ATOM 0 HZ2 LYS A 38 12.866 44.496 -15.639 1.00 10.25 H new ATOM 0 HZ3 LYS A 38 11.252 44.974 -15.867 1.00 10.25 H new ATOM 587 N MET A 39 12.305 40.915 -22.131 1.00 31.00 N ATOM 588 CA MET A 39 11.853 40.334 -23.390 1.00 12.21 C ATOM 589 C MET A 39 12.576 39.021 -23.674 1.00 15.25 C ATOM 590 O MET A 39 11.950 38.018 -24.020 1.00 4.14 O ATOM 591 CB MET A 39 12.083 41.316 -24.541 1.00 30.52 C ATOM 592 CG MET A 39 11.023 42.401 -24.635 1.00 5.44 C ATOM 593 SD MET A 39 10.372 42.594 -26.305 1.00 23.00 S ATOM 594 CE MET A 39 11.803 43.260 -27.151 1.00 42.35 C ATOM 0 H MET A 39 12.689 41.856 -22.214 1.00 31.00 H new ATOM 0 HA MET A 39 10.786 40.129 -23.304 1.00 12.21 H new ATOM 0 HB2 MET A 39 13.060 41.784 -24.419 1.00 30.52 H new ATOM 0 HB3 MET A 39 12.109 40.763 -25.480 1.00 30.52 H new ATOM 0 HG2 MET A 39 10.204 42.164 -23.955 1.00 5.44 H new ATOM 0 HG3 MET A 39 11.448 43.348 -24.303 1.00 5.44 H new ATOM 0 HE1 MET A 39 11.558 43.434 -28.199 1.00 42.35 H new ATOM 0 HE2 MET A 39 12.095 44.201 -26.686 1.00 42.35 H new ATOM 0 HE3 MET A 39 12.628 42.551 -27.084 1.00 42.35 H new ATOM 604 N THR A 40 13.897 39.034 -23.525 1.00 73.23 N ATOM 605 CA THR A 40 14.704 37.845 -23.767 1.00 23.01 C ATOM 606 C THR A 40 14.264 36.690 -22.875 1.00 13.34 C ATOM 607 O THR A 40 14.424 35.522 -23.229 1.00 64.33 O ATOM 608 CB THR A 40 16.200 38.123 -23.526 1.00 10.42 C ATOM 609 OG1 THR A 40 16.685 39.064 -24.490 1.00 52.41 O ATOM 610 CG2 THR A 40 17.010 36.839 -23.612 1.00 22.34 C ATOM 0 H THR A 40 14.430 39.855 -23.238 1.00 73.23 H new ATOM 0 HA THR A 40 14.556 37.570 -24.811 1.00 23.01 H new ATOM 0 HB THR A 40 16.313 38.538 -22.525 1.00 10.42 H new ATOM 0 HG1 THR A 40 17.636 39.237 -24.329 1.00 52.41 H new ATOM 0 HG21 THR A 40 18.063 37.061 -23.438 1.00 22.34 H new ATOM 0 HG22 THR A 40 16.658 36.136 -22.857 1.00 22.34 H new ATOM 0 HG23 THR A 40 16.890 36.399 -24.602 1.00 22.34 H new ATOM 618 N LEU A 41 13.707 37.024 -21.716 1.00 31.35 N ATOM 619 CA LEU A 41 13.242 36.013 -20.772 1.00 14.55 C ATOM 620 C LEU A 41 11.922 35.404 -21.233 1.00 33.10 C ATOM 621 O LEU A 41 11.692 34.204 -21.076 1.00 0.22 O ATOM 622 CB LEU A 41 13.075 36.626 -19.380 1.00 33.02 C ATOM 623 CG LEU A 41 13.280 35.676 -18.199 1.00 44.14 C ATOM 624 CD1 LEU A 41 13.441 36.459 -16.906 1.00 1.33 C ATOM 625 CD2 LEU A 41 12.119 34.699 -18.093 1.00 31.35 C ATOM 0 H LEU A 41 13.566 37.986 -21.407 1.00 31.35 H new ATOM 0 HA LEU A 41 13.990 35.222 -20.727 1.00 14.55 H new ATOM 0 HB2 LEU A 41 13.779 37.452 -19.282 1.00 33.02 H new ATOM 0 HB3 LEU A 41 12.073 37.050 -19.310 1.00 33.02 H new ATOM 0 HG LEU A 41 14.193 35.106 -18.370 1.00 44.14 H new ATOM 0 HD11 LEU A 41 13.586 35.766 -16.077 1.00 1.33 H new ATOM 0 HD12 LEU A 41 14.306 37.117 -16.984 1.00 1.33 H new ATOM 0 HD13 LEU A 41 12.546 37.056 -16.728 1.00 1.33 H new ATOM 0 HD21 LEU A 41 12.282 34.031 -17.247 1.00 31.35 H new ATOM 0 HD22 LEU A 41 11.191 35.251 -17.946 1.00 31.35 H new ATOM 0 HD23 LEU A 41 12.051 34.114 -19.010 1.00 31.35 H new ATOM 637 N CYS A 42 11.059 36.237 -21.804 1.00 41.12 N ATOM 638 CA CYS A 42 9.762 35.780 -22.290 1.00 61.15 C ATOM 639 C CYS A 42 9.928 34.649 -23.300 1.00 72.12 C ATOM 640 O CYS A 42 9.187 33.666 -23.273 1.00 20.34 O ATOM 641 CB CYS A 42 8.995 36.940 -22.927 1.00 21.10 C ATOM 642 SG CYS A 42 7.795 36.432 -24.180 1.00 61.24 S ATOM 0 H CYS A 42 11.234 37.232 -21.942 1.00 41.12 H new ATOM 0 HA CYS A 42 9.195 35.403 -21.439 1.00 61.15 H new ATOM 0 HB2 CYS A 42 8.475 37.491 -22.144 1.00 21.10 H new ATOM 0 HB3 CYS A 42 9.709 37.628 -23.381 1.00 21.10 H new ATOM 0 HG CYS A 42 7.196 37.482 -24.658 1.00 61.24 H new ATOM 648 N ILE A 43 10.903 34.796 -24.191 1.00 13.21 N ATOM 649 CA ILE A 43 11.165 33.787 -25.210 1.00 13.33 C ATOM 650 C ILE A 43 11.739 32.517 -24.591 1.00 0.30 C ATOM 651 O ILE A 43 11.380 31.407 -24.982 1.00 32.21 O ATOM 652 CB ILE A 43 12.140 34.309 -26.281 1.00 41.32 C ATOM 653 CG1 ILE A 43 11.535 35.510 -27.011 1.00 42.30 C ATOM 654 CG2 ILE A 43 12.486 33.203 -27.267 1.00 31.03 C ATOM 655 CD1 ILE A 43 12.502 36.195 -27.952 1.00 14.22 C ATOM 0 H ILE A 43 11.524 35.604 -24.228 1.00 13.21 H new ATOM 0 HA ILE A 43 10.209 33.558 -25.681 1.00 13.33 H new ATOM 0 HB ILE A 43 13.058 34.631 -25.789 1.00 41.32 H new ATOM 0 HG12 ILE A 43 10.663 35.180 -27.576 1.00 42.30 H new ATOM 0 HG13 ILE A 43 11.183 36.233 -26.275 1.00 42.30 H new ATOM 0 HG21 ILE A 43 13.176 33.588 -28.018 1.00 31.03 H new ATOM 0 HG22 ILE A 43 12.954 32.374 -26.735 1.00 31.03 H new ATOM 0 HG23 ILE A 43 11.576 32.853 -27.755 1.00 31.03 H new ATOM 0 HD11 ILE A 43 12.005 37.037 -28.435 1.00 14.22 H new ATOM 0 HD12 ILE A 43 13.363 36.556 -27.390 1.00 14.22 H new ATOM 0 HD13 ILE A 43 12.835 35.487 -28.711 1.00 14.22 H new ATOM 667 N SER A 44 12.632 32.689 -23.622 1.00 1.43 N ATOM 668 CA SER A 44 13.258 31.557 -22.949 1.00 42.03 C ATOM 669 C SER A 44 12.211 30.691 -22.255 1.00 5.34 C ATOM 670 O SER A 44 12.151 29.480 -22.467 1.00 12.14 O ATOM 671 CB SER A 44 14.288 32.048 -21.930 1.00 64.23 C ATOM 672 OG SER A 44 15.308 32.804 -22.560 1.00 10.33 O ATOM 0 H SER A 44 12.938 33.602 -23.285 1.00 1.43 H new ATOM 0 HA SER A 44 13.763 30.952 -23.702 1.00 42.03 H new ATOM 0 HB2 SER A 44 13.794 32.657 -21.173 1.00 64.23 H new ATOM 0 HB3 SER A 44 14.729 31.195 -21.414 1.00 64.23 H new ATOM 0 HG SER A 44 14.970 33.701 -22.767 1.00 10.33 H new ATOM 678 N VAL A 45 11.388 31.322 -21.423 1.00 41.01 N ATOM 679 CA VAL A 45 10.342 30.611 -20.697 1.00 44.22 C ATOM 680 C VAL A 45 9.465 29.804 -21.647 1.00 62.05 C ATOM 681 O VAL A 45 9.103 28.663 -21.358 1.00 30.15 O ATOM 682 CB VAL A 45 9.455 31.583 -19.897 1.00 73.02 C ATOM 683 CG1 VAL A 45 8.127 30.929 -19.548 1.00 34.11 C ATOM 684 CG2 VAL A 45 10.175 32.051 -18.641 1.00 73.43 C ATOM 0 H VAL A 45 11.425 32.324 -21.235 1.00 41.01 H new ATOM 0 HA VAL A 45 10.841 29.933 -20.005 1.00 44.22 H new ATOM 0 HB VAL A 45 9.251 32.456 -20.517 1.00 73.02 H new ATOM 0 HG11 VAL A 45 7.513 31.631 -18.983 1.00 34.11 H new ATOM 0 HG12 VAL A 45 7.607 30.649 -20.464 1.00 34.11 H new ATOM 0 HG13 VAL A 45 8.307 30.038 -18.946 1.00 34.11 H new ATOM 0 HG21 VAL A 45 9.533 32.737 -18.088 1.00 73.43 H new ATOM 0 HG22 VAL A 45 10.411 31.191 -18.015 1.00 73.43 H new ATOM 0 HG23 VAL A 45 11.097 32.561 -18.919 1.00 73.43 H new ATOM 694 N LEU A 46 9.127 30.403 -22.784 1.00 31.21 N ATOM 695 CA LEU A 46 8.292 29.739 -23.779 1.00 53.52 C ATOM 696 C LEU A 46 9.043 28.588 -24.440 1.00 35.21 C ATOM 697 O LEU A 46 8.463 27.540 -24.731 1.00 2.43 O ATOM 698 CB LEU A 46 7.836 30.742 -24.841 1.00 34.21 C ATOM 699 CG LEU A 46 6.770 30.245 -25.819 1.00 1.52 C ATOM 700 CD1 LEU A 46 5.377 30.503 -25.266 1.00 51.33 C ATOM 701 CD2 LEU A 46 6.940 30.913 -27.176 1.00 35.31 C ATOM 0 H LEU A 46 9.418 31.347 -23.040 1.00 31.21 H new ATOM 0 HA LEU A 46 7.417 29.333 -23.271 1.00 53.52 H new ATOM 0 HB2 LEU A 46 7.452 31.627 -24.335 1.00 34.21 H new ATOM 0 HB3 LEU A 46 8.708 31.056 -25.414 1.00 34.21 H new ATOM 0 HG LEU A 46 6.894 29.170 -25.947 1.00 1.52 H new ATOM 0 HD11 LEU A 46 4.632 30.143 -25.975 1.00 51.33 H new ATOM 0 HD12 LEU A 46 5.259 29.978 -24.318 1.00 51.33 H new ATOM 0 HD13 LEU A 46 5.241 31.573 -25.108 1.00 51.33 H new ATOM 0 HD21 LEU A 46 6.174 30.548 -27.860 1.00 35.31 H new ATOM 0 HD22 LEU A 46 6.843 31.993 -27.065 1.00 35.31 H new ATOM 0 HD23 LEU A 46 7.926 30.677 -27.577 1.00 35.31 H new ATOM 713 N LEU A 47 10.335 28.788 -24.673 1.00 21.54 N ATOM 714 CA LEU A 47 11.167 27.765 -25.297 1.00 70.31 C ATOM 715 C LEU A 47 11.209 26.501 -24.444 1.00 12.11 C ATOM 716 O LEU A 47 10.954 25.401 -24.933 1.00 45.15 O ATOM 717 CB LEU A 47 12.585 28.295 -25.513 1.00 44.02 C ATOM 718 CG LEU A 47 13.048 28.401 -26.967 1.00 0.42 C ATOM 719 CD1 LEU A 47 13.092 27.026 -27.615 1.00 3.41 C ATOM 720 CD2 LEU A 47 12.135 29.333 -27.750 1.00 51.22 C ATOM 0 H LEU A 47 10.829 29.649 -24.439 1.00 21.54 H new ATOM 0 HA LEU A 47 10.728 27.515 -26.263 1.00 70.31 H new ATOM 0 HB2 LEU A 47 12.656 29.283 -25.057 1.00 44.02 H new ATOM 0 HB3 LEU A 47 13.279 27.647 -24.978 1.00 44.02 H new ATOM 0 HG LEU A 47 14.055 28.817 -26.978 1.00 0.42 H new ATOM 0 HD11 LEU A 47 13.424 27.121 -28.649 1.00 3.41 H new ATOM 0 HD12 LEU A 47 13.787 26.388 -27.069 1.00 3.41 H new ATOM 0 HD13 LEU A 47 12.097 26.581 -27.593 1.00 3.41 H new ATOM 0 HD21 LEU A 47 12.479 29.397 -28.782 1.00 51.22 H new ATOM 0 HD22 LEU A 47 11.116 28.946 -27.730 1.00 51.22 H new ATOM 0 HD23 LEU A 47 12.155 30.325 -27.299 1.00 51.22 H new ATOM 732 N ALA A 48 11.529 26.667 -23.165 1.00 3.21 N ATOM 733 CA ALA A 48 11.600 25.541 -22.243 1.00 30.25 C ATOM 734 C ALA A 48 10.269 24.798 -22.180 1.00 4.44 C ATOM 735 O ALA A 48 10.236 23.572 -22.068 1.00 14.23 O ATOM 736 CB ALA A 48 12.006 26.018 -20.856 1.00 41.52 C ATOM 0 H ALA A 48 11.743 27.571 -22.744 1.00 3.21 H new ATOM 0 HA ALA A 48 12.356 24.849 -22.613 1.00 30.25 H new ATOM 0 HB1 ALA A 48 12.055 25.166 -20.178 1.00 41.52 H new ATOM 0 HB2 ALA A 48 12.984 26.497 -20.908 1.00 41.52 H new ATOM 0 HB3 ALA A 48 11.271 26.733 -20.487 1.00 41.52 H new ATOM 742 N LEU A 49 9.175 25.548 -22.251 1.00 42.14 N ATOM 743 CA LEU A 49 7.841 24.961 -22.202 1.00 73.21 C ATOM 744 C LEU A 49 7.596 24.063 -23.411 1.00 31.14 C ATOM 745 O LEU A 49 7.055 22.964 -23.283 1.00 14.14 O ATOM 746 CB LEU A 49 6.779 26.061 -22.147 1.00 5.13 C ATOM 747 CG LEU A 49 5.351 25.602 -21.853 1.00 20.35 C ATOM 748 CD1 LEU A 49 5.164 25.360 -20.363 1.00 21.12 C ATOM 749 CD2 LEU A 49 4.346 26.626 -22.359 1.00 3.55 C ATOM 0 H LEU A 49 9.186 26.564 -22.343 1.00 42.14 H new ATOM 0 HA LEU A 49 7.772 24.353 -21.300 1.00 73.21 H new ATOM 0 HB2 LEU A 49 7.071 26.783 -21.384 1.00 5.13 H new ATOM 0 HB3 LEU A 49 6.781 26.588 -23.101 1.00 5.13 H new ATOM 0 HG LEU A 49 5.177 24.662 -22.378 1.00 20.35 H new ATOM 0 HD11 LEU A 49 4.141 25.034 -20.173 1.00 21.12 H new ATOM 0 HD12 LEU A 49 5.859 24.589 -20.030 1.00 21.12 H new ATOM 0 HD13 LEU A 49 5.358 26.283 -19.817 1.00 21.12 H new ATOM 0 HD21 LEU A 49 3.335 26.282 -22.141 1.00 3.55 H new ATOM 0 HD22 LEU A 49 4.519 27.581 -21.864 1.00 3.55 H new ATOM 0 HD23 LEU A 49 4.463 26.749 -23.436 1.00 3.55 H new ATOM 761 N THR A 50 8.000 24.537 -24.585 1.00 62.32 N ATOM 762 CA THR A 50 7.826 23.777 -25.817 1.00 0.13 C ATOM 763 C THR A 50 8.527 22.426 -25.733 1.00 43.12 C ATOM 764 O THR A 50 8.048 21.432 -26.278 1.00 32.30 O ATOM 765 CB THR A 50 8.367 24.549 -27.034 1.00 44.45 C ATOM 766 OG1 THR A 50 8.944 25.790 -26.611 1.00 72.01 O ATOM 767 CG2 THR A 50 7.259 24.817 -28.042 1.00 24.21 C ATOM 0 H THR A 50 8.450 25.444 -24.709 1.00 62.32 H new ATOM 0 HA THR A 50 6.755 23.620 -25.943 1.00 0.13 H new ATOM 0 HB THR A 50 9.132 23.938 -27.513 1.00 44.45 H new ATOM 0 HG1 THR A 50 9.870 25.640 -26.326 1.00 72.01 H new ATOM 0 HG21 THR A 50 7.666 25.364 -28.893 1.00 24.21 H new ATOM 0 HG22 THR A 50 6.842 23.870 -28.385 1.00 24.21 H new ATOM 0 HG23 THR A 50 6.475 25.410 -27.571 1.00 24.21 H new ATOM 775 N VAL A 51 9.665 22.397 -25.047 1.00 65.31 N ATOM 776 CA VAL A 51 10.432 21.167 -24.891 1.00 23.53 C ATOM 777 C VAL A 51 9.623 20.104 -24.155 1.00 50.24 C ATOM 778 O VAL A 51 9.342 19.036 -24.699 1.00 20.32 O ATOM 779 CB VAL A 51 11.745 21.417 -24.125 1.00 42.04 C ATOM 780 CG1 VAL A 51 12.374 20.100 -23.698 1.00 61.40 C ATOM 781 CG2 VAL A 51 12.711 22.227 -24.977 1.00 3.14 C ATOM 0 H VAL A 51 10.076 23.211 -24.590 1.00 65.31 H new ATOM 0 HA VAL A 51 10.667 20.812 -25.894 1.00 23.53 H new ATOM 0 HB VAL A 51 11.518 21.991 -23.227 1.00 42.04 H new ATOM 0 HG11 VAL A 51 13.300 20.297 -23.158 1.00 61.40 H new ATOM 0 HG12 VAL A 51 11.684 19.561 -23.049 1.00 61.40 H new ATOM 0 HG13 VAL A 51 12.589 19.497 -24.580 1.00 61.40 H new ATOM 0 HG21 VAL A 51 13.634 22.395 -24.421 1.00 3.14 H new ATOM 0 HG22 VAL A 51 12.934 21.681 -25.894 1.00 3.14 H new ATOM 0 HG23 VAL A 51 12.259 23.187 -25.227 1.00 3.14 H new ATOM 791 N PHE A 52 9.250 20.405 -22.916 1.00 1.01 N ATOM 792 CA PHE A 52 8.473 19.476 -22.105 1.00 34.44 C ATOM 793 C PHE A 52 7.113 19.204 -22.741 1.00 71.24 C ATOM 794 O PHE A 52 6.607 18.082 -22.697 1.00 33.41 O ATOM 795 CB PHE A 52 8.285 20.033 -20.692 1.00 34.41 C ATOM 796 CG PHE A 52 9.224 19.437 -19.683 1.00 32.54 C ATOM 797 CD1 PHE A 52 9.252 18.068 -19.466 1.00 40.34 C ATOM 798 CD2 PHE A 52 10.078 20.245 -18.950 1.00 31.43 C ATOM 799 CE1 PHE A 52 10.115 17.516 -18.539 1.00 3.44 C ATOM 800 CE2 PHE A 52 10.944 19.699 -18.021 1.00 34.50 C ATOM 801 CZ PHE A 52 10.961 18.333 -17.814 1.00 65.12 C ATOM 0 H PHE A 52 9.473 21.285 -22.452 1.00 1.01 H new ATOM 0 HA PHE A 52 9.022 18.536 -22.048 1.00 34.44 H new ATOM 0 HB2 PHE A 52 8.426 21.114 -20.714 1.00 34.41 H new ATOM 0 HB3 PHE A 52 7.259 19.852 -20.372 1.00 34.41 H new ATOM 0 HD1 PHE A 52 8.591 17.425 -20.028 1.00 40.34 H new ATOM 0 HD2 PHE A 52 10.067 21.314 -19.106 1.00 31.43 H new ATOM 0 HE1 PHE A 52 10.128 16.448 -18.381 1.00 3.44 H new ATOM 0 HE2 PHE A 52 11.607 20.339 -17.458 1.00 34.50 H new ATOM 0 HZ PHE A 52 11.635 17.905 -17.087 1.00 65.12 H new ATOM 811 N LEU A 53 6.526 20.238 -23.333 1.00 42.40 N ATOM 812 CA LEU A 53 5.224 20.113 -23.979 1.00 63.12 C ATOM 813 C LEU A 53 5.256 19.040 -25.063 1.00 55.43 C ATOM 814 O LEU A 53 4.429 18.127 -25.072 1.00 23.20 O ATOM 815 CB LEU A 53 4.802 21.453 -24.584 1.00 13.14 C ATOM 816 CG LEU A 53 3.539 21.432 -25.446 1.00 43.13 C ATOM 817 CD1 LEU A 53 2.310 21.184 -24.587 1.00 35.13 C ATOM 818 CD2 LEU A 53 3.399 22.736 -26.218 1.00 12.33 C ATOM 0 H LEU A 53 6.931 21.173 -23.379 1.00 42.40 H new ATOM 0 HA LEU A 53 4.497 19.818 -23.222 1.00 63.12 H new ATOM 0 HB2 LEU A 53 4.652 22.164 -23.772 1.00 13.14 H new ATOM 0 HB3 LEU A 53 5.625 21.831 -25.190 1.00 13.14 H new ATOM 0 HG LEU A 53 3.625 20.616 -26.163 1.00 43.13 H new ATOM 0 HD11 LEU A 53 1.421 21.173 -25.218 1.00 35.13 H new ATOM 0 HD12 LEU A 53 2.408 20.224 -24.081 1.00 35.13 H new ATOM 0 HD13 LEU A 53 2.218 21.978 -23.845 1.00 35.13 H new ATOM 0 HD21 LEU A 53 2.495 22.704 -26.826 1.00 12.33 H new ATOM 0 HD22 LEU A 53 3.335 23.569 -25.517 1.00 12.33 H new ATOM 0 HD23 LEU A 53 4.266 22.871 -26.864 1.00 12.33 H new ATOM 830 N LEU A 54 6.215 19.156 -25.975 1.00 54.21 N ATOM 831 CA LEU A 54 6.356 18.195 -27.063 1.00 53.04 C ATOM 832 C LEU A 54 6.532 16.780 -26.521 1.00 44.41 C ATOM 833 O LEU A 54 6.006 15.818 -27.083 1.00 5.43 O ATOM 834 CB LEU A 54 7.547 18.567 -27.947 1.00 43.05 C ATOM 835 CG LEU A 54 7.468 18.115 -29.406 1.00 22.41 C ATOM 836 CD1 LEU A 54 6.351 18.848 -30.132 1.00 62.34 C ATOM 837 CD2 LEU A 54 8.800 18.339 -30.107 1.00 1.10 C ATOM 0 H LEU A 54 6.906 19.906 -25.983 1.00 54.21 H new ATOM 0 HA LEU A 54 5.445 18.224 -27.661 1.00 53.04 H new ATOM 0 HB2 LEU A 54 7.662 19.651 -27.929 1.00 43.05 H new ATOM 0 HB3 LEU A 54 8.448 18.143 -27.505 1.00 43.05 H new ATOM 0 HG LEU A 54 7.246 17.048 -29.424 1.00 22.41 H new ATOM 0 HD11 LEU A 54 6.310 18.514 -31.169 1.00 62.34 H new ATOM 0 HD12 LEU A 54 5.400 18.636 -29.644 1.00 62.34 H new ATOM 0 HD13 LEU A 54 6.542 19.921 -30.104 1.00 62.34 H new ATOM 0 HD21 LEU A 54 8.725 18.012 -31.144 1.00 1.10 H new ATOM 0 HD22 LEU A 54 9.052 19.399 -30.078 1.00 1.10 H new ATOM 0 HD23 LEU A 54 9.578 17.767 -29.601 1.00 1.10 H new ATOM 849 N LEU A 55 7.274 16.661 -25.425 1.00 73.13 N ATOM 850 CA LEU A 55 7.518 15.363 -24.805 1.00 2.53 C ATOM 851 C LEU A 55 6.208 14.709 -24.377 1.00 64.01 C ATOM 852 O LEU A 55 5.848 13.639 -24.869 1.00 4.10 O ATOM 853 CB LEU A 55 8.442 15.520 -23.595 1.00 53.44 C ATOM 854 CG LEU A 55 9.588 14.514 -23.491 1.00 70.11 C ATOM 855 CD1 LEU A 55 10.699 15.060 -22.607 1.00 73.52 C ATOM 856 CD2 LEU A 55 9.082 13.183 -22.954 1.00 71.13 C ATOM 0 H LEU A 55 7.717 17.447 -24.948 1.00 73.13 H new ATOM 0 HA LEU A 55 8.000 14.720 -25.542 1.00 2.53 H new ATOM 0 HB2 LEU A 55 8.867 16.524 -23.615 1.00 53.44 H new ATOM 0 HB3 LEU A 55 7.838 15.448 -22.690 1.00 53.44 H new ATOM 0 HG LEU A 55 9.994 14.350 -24.489 1.00 70.11 H new ATOM 0 HD11 LEU A 55 11.506 14.330 -22.545 1.00 73.52 H new ATOM 0 HD12 LEU A 55 11.081 15.988 -23.034 1.00 73.52 H new ATOM 0 HD13 LEU A 55 10.307 15.254 -21.608 1.00 73.52 H new ATOM 0 HD21 LEU A 55 9.911 12.479 -22.887 1.00 71.13 H new ATOM 0 HD22 LEU A 55 8.650 13.331 -21.964 1.00 71.13 H new ATOM 0 HD23 LEU A 55 8.322 12.785 -23.626 1.00 71.13 H new ATOM 868 N ILE A 56 5.500 15.359 -23.461 1.00 14.44 N ATOM 869 CA ILE A 56 4.228 14.842 -22.970 1.00 3.10 C ATOM 870 C ILE A 56 3.257 14.592 -24.118 1.00 73.33 C ATOM 871 O ILE A 56 2.465 13.650 -24.081 1.00 14.33 O ATOM 872 CB ILE A 56 3.578 15.809 -21.964 1.00 14.54 C ATOM 873 CG1 ILE A 56 4.303 15.744 -20.618 1.00 33.31 C ATOM 874 CG2 ILE A 56 2.102 15.482 -21.793 1.00 13.23 C ATOM 875 CD1 ILE A 56 5.153 16.961 -20.329 1.00 51.25 C ATOM 0 H ILE A 56 5.785 16.245 -23.043 1.00 14.44 H new ATOM 0 HA ILE A 56 4.443 13.899 -22.467 1.00 3.10 H new ATOM 0 HB ILE A 56 3.663 16.824 -22.352 1.00 14.54 H new ATOM 0 HG12 ILE A 56 3.566 15.629 -19.823 1.00 33.31 H new ATOM 0 HG13 ILE A 56 4.935 14.856 -20.598 1.00 33.31 H new ATOM 0 HG21 ILE A 56 1.656 16.174 -21.079 1.00 13.23 H new ATOM 0 HG22 ILE A 56 1.595 15.575 -22.753 1.00 13.23 H new ATOM 0 HG23 ILE A 56 1.996 14.462 -21.424 1.00 13.23 H new ATOM 0 HD11 ILE A 56 5.636 16.845 -19.359 1.00 51.25 H new ATOM 0 HD12 ILE A 56 5.913 17.066 -21.103 1.00 51.25 H new ATOM 0 HD13 ILE A 56 4.523 17.850 -20.316 1.00 51.25 H new ATOM 1056 N SER A 69 -1.839 10.664 -16.640 1.00 20.24 N ATOM 1057 CA SER A 69 -2.168 11.752 -15.726 1.00 61.13 C ATOM 1058 C SER A 69 -1.425 13.028 -16.111 1.00 63.41 C ATOM 1059 O SER A 69 -1.584 14.069 -15.474 1.00 22.21 O ATOM 1060 CB SER A 69 -1.822 11.361 -14.288 1.00 74.11 C ATOM 1061 OG SER A 69 -0.988 10.216 -14.257 1.00 71.24 O ATOM 0 HA SER A 69 -3.239 11.941 -15.796 1.00 61.13 H new ATOM 0 HB2 SER A 69 -1.321 12.193 -13.792 1.00 74.11 H new ATOM 0 HB3 SER A 69 -2.738 11.163 -13.731 1.00 74.11 H new ATOM 0 HG SER A 69 -0.955 9.811 -15.149 1.00 71.24 H new ATOM 1067 N VAL A 70 -0.612 12.938 -17.159 1.00 5.01 N ATOM 1068 CA VAL A 70 0.156 14.084 -17.631 1.00 4.03 C ATOM 1069 C VAL A 70 -0.752 15.129 -18.270 1.00 23.34 C ATOM 1070 O VAL A 70 -0.399 16.304 -18.355 1.00 13.35 O ATOM 1071 CB VAL A 70 1.229 13.659 -18.651 1.00 41.21 C ATOM 1072 CG1 VAL A 70 2.235 12.716 -18.008 1.00 14.42 C ATOM 1073 CG2 VAL A 70 0.581 13.013 -19.866 1.00 64.33 C ATOM 0 H VAL A 70 -0.468 12.083 -17.697 1.00 5.01 H new ATOM 0 HA VAL A 70 0.646 14.517 -16.759 1.00 4.03 H new ATOM 0 HB VAL A 70 1.764 14.549 -18.982 1.00 41.21 H new ATOM 0 HG11 VAL A 70 2.985 12.427 -18.744 1.00 14.42 H new ATOM 0 HG12 VAL A 70 2.722 13.218 -17.172 1.00 14.42 H new ATOM 0 HG13 VAL A 70 1.720 11.826 -17.646 1.00 14.42 H new ATOM 0 HG21 VAL A 70 1.353 12.719 -20.577 1.00 64.33 H new ATOM 0 HG22 VAL A 70 0.020 12.132 -19.554 1.00 64.33 H new ATOM 0 HG23 VAL A 70 -0.095 13.725 -20.339 1.00 64.33 H new ATOM 1083 N GLY A 71 -1.924 14.691 -18.718 1.00 74.11 N ATOM 1084 CA GLY A 71 -2.866 15.601 -19.344 1.00 31.15 C ATOM 1085 C GLY A 71 -3.542 16.515 -18.341 1.00 44.50 C ATOM 1086 O GLY A 71 -3.869 17.659 -18.657 1.00 60.42 O ATOM 0 H GLY A 71 -2.238 13.722 -18.659 1.00 74.11 H new ATOM 0 HA2 GLY A 71 -2.345 16.204 -20.087 1.00 31.15 H new ATOM 0 HA3 GLY A 71 -3.624 15.026 -19.875 1.00 31.15 H new ATOM 1090 N GLU A 72 -3.752 16.010 -17.129 1.00 41.44 N ATOM 1091 CA GLU A 72 -4.396 16.790 -16.079 1.00 4.23 C ATOM 1092 C GLU A 72 -3.561 18.017 -15.722 1.00 65.25 C ATOM 1093 O GLU A 72 -4.027 19.151 -15.829 1.00 13.21 O ATOM 1094 CB GLU A 72 -4.613 15.928 -14.833 1.00 45.23 C ATOM 1095 CG GLU A 72 -6.012 15.345 -14.733 1.00 12.43 C ATOM 1096 CD GLU A 72 -6.253 14.231 -15.733 1.00 15.34 C ATOM 1097 OE1 GLU A 72 -5.329 13.423 -15.955 1.00 64.44 O ATOM 1098 OE2 GLU A 72 -7.368 14.168 -16.292 1.00 53.52 O ATOM 0 H GLU A 72 -3.486 15.066 -16.851 1.00 41.44 H new ATOM 0 HA GLU A 72 -5.363 17.126 -16.453 1.00 4.23 H new ATOM 0 HB2 GLU A 72 -3.888 15.114 -14.834 1.00 45.23 H new ATOM 0 HB3 GLU A 72 -4.415 16.530 -13.946 1.00 45.23 H new ATOM 0 HG2 GLU A 72 -6.171 14.963 -13.724 1.00 12.43 H new ATOM 0 HG3 GLU A 72 -6.744 16.137 -14.893 1.00 12.43 H new ATOM 1105 N TYR A 73 -2.324 17.780 -15.299 1.00 10.42 N ATOM 1106 CA TYR A 73 -1.424 18.865 -14.924 1.00 32.33 C ATOM 1107 C TYR A 73 -1.181 19.803 -16.102 1.00 23.11 C ATOM 1108 O TYR A 73 -1.091 21.020 -15.934 1.00 22.22 O ATOM 1109 CB TYR A 73 -0.093 18.301 -14.423 1.00 34.12 C ATOM 1110 CG TYR A 73 -0.248 17.246 -13.351 1.00 21.21 C ATOM 1111 CD1 TYR A 73 -1.104 17.442 -12.274 1.00 72.22 C ATOM 1112 CD2 TYR A 73 0.463 16.054 -13.414 1.00 32.31 C ATOM 1113 CE1 TYR A 73 -1.248 16.481 -11.292 1.00 31.01 C ATOM 1114 CE2 TYR A 73 0.324 15.087 -12.437 1.00 61.22 C ATOM 1115 CZ TYR A 73 -0.532 15.305 -11.378 1.00 53.12 C ATOM 1116 OH TYR A 73 -0.672 14.345 -10.402 1.00 72.04 O ATOM 0 H TYR A 73 -1.922 16.847 -15.207 1.00 10.42 H new ATOM 0 HA TYR A 73 -1.895 19.433 -14.122 1.00 32.33 H new ATOM 0 HB2 TYR A 73 0.451 17.874 -15.265 1.00 34.12 H new ATOM 0 HB3 TYR A 73 0.514 19.118 -14.032 1.00 34.12 H new ATOM 0 HD1 TYR A 73 -1.666 18.361 -12.203 1.00 72.22 H new ATOM 0 HD2 TYR A 73 1.136 15.880 -14.241 1.00 32.31 H new ATOM 0 HE1 TYR A 73 -1.918 16.650 -10.461 1.00 31.01 H new ATOM 0 HE2 TYR A 73 0.883 14.165 -12.502 1.00 61.22 H new ATOM 0 HH TYR A 73 -0.099 13.578 -10.613 1.00 72.04 H new ATOM 1126 N LEU A 74 -1.076 19.228 -17.295 1.00 5.30 N ATOM 1127 CA LEU A 74 -0.843 20.012 -18.504 1.00 32.44 C ATOM 1128 C LEU A 74 -2.005 20.964 -18.767 1.00 12.01 C ATOM 1129 O LEU A 74 -1.803 22.106 -19.178 1.00 12.44 O ATOM 1130 CB LEU A 74 -0.646 19.086 -19.705 1.00 25.40 C ATOM 1131 CG LEU A 74 -0.587 19.765 -21.074 1.00 3.14 C ATOM 1132 CD1 LEU A 74 0.464 20.865 -21.079 1.00 34.13 C ATOM 1133 CD2 LEU A 74 -0.297 18.744 -22.164 1.00 75.20 C ATOM 0 H LEU A 74 -1.148 18.223 -17.452 1.00 5.30 H new ATOM 0 HA LEU A 74 0.061 20.603 -18.356 1.00 32.44 H new ATOM 0 HB2 LEU A 74 0.278 18.526 -19.559 1.00 25.40 H new ATOM 0 HB3 LEU A 74 -1.459 18.361 -19.716 1.00 25.40 H new ATOM 0 HG LEU A 74 -1.558 20.217 -21.276 1.00 3.14 H new ATOM 0 HD11 LEU A 74 0.492 21.337 -22.061 1.00 34.13 H new ATOM 0 HD12 LEU A 74 0.213 21.611 -20.325 1.00 34.13 H new ATOM 0 HD13 LEU A 74 1.441 20.436 -20.855 1.00 34.13 H new ATOM 0 HD21 LEU A 74 -0.259 19.245 -23.131 1.00 75.20 H new ATOM 0 HD22 LEU A 74 0.661 18.263 -21.966 1.00 75.20 H new ATOM 0 HD23 LEU A 74 -1.085 17.991 -22.176 1.00 75.20 H new ATOM 1145 N MET A 75 -3.222 20.486 -18.526 1.00 4.14 N ATOM 1146 CA MET A 75 -4.416 21.297 -18.734 1.00 22.24 C ATOM 1147 C MET A 75 -4.339 22.594 -17.934 1.00 63.51 C ATOM 1148 O MET A 75 -4.496 23.684 -18.484 1.00 75.20 O ATOM 1149 CB MET A 75 -5.667 20.512 -18.335 1.00 20.31 C ATOM 1150 CG MET A 75 -6.855 20.754 -19.252 1.00 44.31 C ATOM 1151 SD MET A 75 -6.775 19.776 -20.765 1.00 11.32 S ATOM 1152 CE MET A 75 -7.124 18.139 -20.128 1.00 71.11 C ATOM 0 H MET A 75 -3.407 19.542 -18.187 1.00 4.14 H new ATOM 0 HA MET A 75 -4.475 21.547 -19.793 1.00 22.24 H new ATOM 0 HB2 MET A 75 -5.432 19.448 -18.331 1.00 20.31 H new ATOM 0 HB3 MET A 75 -5.945 20.781 -17.316 1.00 20.31 H new ATOM 0 HG2 MET A 75 -7.775 20.516 -18.718 1.00 44.31 H new ATOM 0 HG3 MET A 75 -6.900 21.812 -19.510 1.00 44.31 H new ATOM 0 HE1 MET A 75 -7.492 17.506 -20.935 1.00 71.11 H new ATOM 0 HE2 MET A 75 -6.212 17.707 -19.715 1.00 71.11 H new ATOM 0 HE3 MET A 75 -7.880 18.207 -19.346 1.00 71.11 H new ATOM 1162 N PHE A 76 -4.096 22.468 -16.634 1.00 5.13 N ATOM 1163 CA PHE A 76 -3.999 23.630 -15.758 1.00 41.54 C ATOM 1164 C PHE A 76 -2.755 24.453 -16.082 1.00 54.33 C ATOM 1165 O PHE A 76 -2.714 25.660 -15.840 1.00 51.12 O ATOM 1166 CB PHE A 76 -3.966 23.191 -14.293 1.00 61.22 C ATOM 1167 CG PHE A 76 -4.961 23.911 -13.429 1.00 30.33 C ATOM 1168 CD1 PHE A 76 -6.322 23.749 -13.634 1.00 3.12 C ATOM 1169 CD2 PHE A 76 -4.536 24.750 -12.411 1.00 64.34 C ATOM 1170 CE1 PHE A 76 -7.240 24.410 -12.840 1.00 32.22 C ATOM 1171 CE2 PHE A 76 -5.449 25.413 -11.614 1.00 73.30 C ATOM 1172 CZ PHE A 76 -6.803 25.244 -11.829 1.00 72.52 C ATOM 0 H PHE A 76 -3.963 21.573 -16.163 1.00 5.13 H new ATOM 0 HA PHE A 76 -4.879 24.252 -15.923 1.00 41.54 H new ATOM 0 HB2 PHE A 76 -4.158 22.119 -14.239 1.00 61.22 H new ATOM 0 HB3 PHE A 76 -2.965 23.356 -13.895 1.00 61.22 H new ATOM 0 HD1 PHE A 76 -6.669 23.099 -14.423 1.00 3.12 H new ATOM 0 HD2 PHE A 76 -3.479 24.887 -12.239 1.00 64.34 H new ATOM 0 HE1 PHE A 76 -8.298 24.275 -13.010 1.00 32.22 H new ATOM 0 HE2 PHE A 76 -5.104 26.063 -10.823 1.00 73.30 H new ATOM 0 HZ PHE A 76 -7.518 25.763 -11.208 1.00 72.52 H new ATOM 1182 N THR A 77 -1.742 23.791 -16.632 1.00 5.55 N ATOM 1183 CA THR A 77 -0.496 24.459 -16.987 1.00 40.42 C ATOM 1184 C THR A 77 -0.696 25.403 -18.168 1.00 2.14 C ATOM 1185 O THR A 77 -0.153 26.508 -18.190 1.00 35.52 O ATOM 1186 CB THR A 77 0.606 23.442 -17.339 1.00 4.55 C ATOM 1187 OG1 THR A 77 1.188 22.917 -16.140 1.00 41.12 O ATOM 1188 CG2 THR A 77 1.687 24.089 -18.192 1.00 1.13 C ATOM 0 H THR A 77 -1.760 22.793 -16.841 1.00 5.55 H new ATOM 0 HA THR A 77 -0.185 25.033 -16.114 1.00 40.42 H new ATOM 0 HB THR A 77 0.153 22.631 -17.909 1.00 4.55 H new ATOM 0 HG1 THR A 77 0.619 22.202 -15.786 1.00 41.12 H new ATOM 0 HG21 THR A 77 2.454 23.352 -18.428 1.00 1.13 H new ATOM 0 HG22 THR A 77 1.246 24.463 -19.116 1.00 1.13 H new ATOM 0 HG23 THR A 77 2.136 24.917 -17.644 1.00 1.13 H new ATOM 1196 N MET A 78 -1.478 24.961 -19.147 1.00 0.02 N ATOM 1197 CA MET A 78 -1.751 25.768 -20.330 1.00 45.42 C ATOM 1198 C MET A 78 -2.617 26.974 -19.978 1.00 62.33 C ATOM 1199 O MET A 78 -2.523 28.024 -20.613 1.00 54.41 O ATOM 1200 CB MET A 78 -2.442 24.924 -21.402 1.00 35.21 C ATOM 1201 CG MET A 78 -1.653 23.689 -21.806 1.00 34.14 C ATOM 1202 SD MET A 78 -1.099 23.749 -23.520 1.00 72.34 S ATOM 1203 CE MET A 78 0.163 25.016 -23.424 1.00 54.35 C ATOM 0 H MET A 78 -1.934 24.048 -19.144 1.00 0.02 H new ATOM 0 HA MET A 78 -0.799 26.128 -20.720 1.00 45.42 H new ATOM 0 HB2 MET A 78 -3.421 24.616 -21.035 1.00 35.21 H new ATOM 0 HB3 MET A 78 -2.612 25.541 -22.284 1.00 35.21 H new ATOM 0 HG2 MET A 78 -0.787 23.586 -21.152 1.00 34.14 H new ATOM 0 HG3 MET A 78 -2.271 22.803 -21.659 1.00 34.14 H new ATOM 0 HE1 MET A 78 0.602 25.168 -24.410 1.00 54.35 H new ATOM 0 HE2 MET A 78 -0.283 25.948 -23.077 1.00 54.35 H new ATOM 0 HE3 MET A 78 0.940 24.704 -22.726 1.00 54.35 H new ATOM 1213 N VAL A 79 -3.460 26.815 -18.963 1.00 70.31 N ATOM 1214 CA VAL A 79 -4.342 27.890 -18.527 1.00 14.14 C ATOM 1215 C VAL A 79 -3.556 29.003 -17.843 1.00 40.25 C ATOM 1216 O VAL A 79 -3.684 30.176 -18.197 1.00 40.21 O ATOM 1217 CB VAL A 79 -5.423 27.372 -17.559 1.00 60.31 C ATOM 1218 CG1 VAL A 79 -5.983 28.512 -16.723 1.00 1.31 C ATOM 1219 CG2 VAL A 79 -6.532 26.668 -18.327 1.00 41.40 C ATOM 0 H VAL A 79 -3.551 25.952 -18.427 1.00 70.31 H new ATOM 0 HA VAL A 79 -4.824 28.285 -19.421 1.00 14.14 H new ATOM 0 HB VAL A 79 -4.965 26.650 -16.883 1.00 60.31 H new ATOM 0 HG11 VAL A 79 -6.745 28.126 -16.046 1.00 1.31 H new ATOM 0 HG12 VAL A 79 -5.180 28.967 -16.144 1.00 1.31 H new ATOM 0 HG13 VAL A 79 -6.427 29.261 -17.379 1.00 1.31 H new ATOM 0 HG21 VAL A 79 -7.287 26.308 -17.628 1.00 41.40 H new ATOM 0 HG22 VAL A 79 -6.989 27.367 -19.028 1.00 41.40 H new ATOM 0 HG23 VAL A 79 -6.115 25.824 -18.876 1.00 41.40 H new ATOM 1229 N LEU A 80 -2.741 28.629 -16.863 1.00 74.32 N ATOM 1230 CA LEU A 80 -1.932 29.596 -16.129 1.00 72.54 C ATOM 1231 C LEU A 80 -0.908 30.256 -17.046 1.00 64.34 C ATOM 1232 O LEU A 80 -0.740 31.475 -17.031 1.00 5.22 O ATOM 1233 CB LEU A 80 -1.221 28.912 -14.960 1.00 13.10 C ATOM 1234 CG LEU A 80 -0.857 29.811 -13.778 1.00 11.11 C ATOM 1235 CD1 LEU A 80 -1.795 29.560 -12.607 1.00 71.05 C ATOM 1236 CD2 LEU A 80 0.589 29.586 -13.362 1.00 63.14 C ATOM 0 H LEU A 80 -2.623 27.663 -16.558 1.00 74.32 H new ATOM 0 HA LEU A 80 -2.596 30.369 -15.741 1.00 72.54 H new ATOM 0 HB2 LEU A 80 -1.857 28.106 -14.595 1.00 13.10 H new ATOM 0 HB3 LEU A 80 -0.307 28.452 -15.336 1.00 13.10 H new ATOM 0 HG LEU A 80 -0.967 30.850 -14.089 1.00 11.11 H new ATOM 0 HD11 LEU A 80 -1.520 30.209 -11.775 1.00 71.05 H new ATOM 0 HD12 LEU A 80 -2.820 29.773 -12.910 1.00 71.05 H new ATOM 0 HD13 LEU A 80 -1.717 28.518 -12.295 1.00 71.05 H new ATOM 0 HD21 LEU A 80 0.830 30.234 -12.520 1.00 63.14 H new ATOM 0 HD22 LEU A 80 0.726 28.545 -13.070 1.00 63.14 H new ATOM 0 HD23 LEU A 80 1.248 29.817 -14.198 1.00 63.14 H new ATOM 1248 N VAL A 81 -0.226 29.442 -17.847 1.00 31.04 N ATOM 1249 CA VAL A 81 0.780 29.947 -18.773 1.00 72.05 C ATOM 1250 C VAL A 81 0.173 30.947 -19.751 1.00 43.40 C ATOM 1251 O VAL A 81 0.784 31.967 -20.073 1.00 10.45 O ATOM 1252 CB VAL A 81 1.436 28.802 -19.568 1.00 54.33 C ATOM 1253 CG1 VAL A 81 2.042 29.328 -20.861 1.00 14.14 C ATOM 1254 CG2 VAL A 81 2.488 28.102 -18.723 1.00 23.15 C ATOM 0 H VAL A 81 -0.353 28.430 -17.873 1.00 31.04 H new ATOM 0 HA VAL A 81 1.541 30.446 -18.173 1.00 72.05 H new ATOM 0 HB VAL A 81 0.666 28.074 -19.825 1.00 54.33 H new ATOM 0 HG11 VAL A 81 2.501 28.505 -21.409 1.00 14.14 H new ATOM 0 HG12 VAL A 81 1.260 29.780 -21.472 1.00 14.14 H new ATOM 0 HG13 VAL A 81 2.800 30.077 -20.630 1.00 14.14 H new ATOM 0 HG21 VAL A 81 2.941 27.296 -19.300 1.00 23.15 H new ATOM 0 HG22 VAL A 81 3.257 28.818 -18.433 1.00 23.15 H new ATOM 0 HG23 VAL A 81 2.021 27.690 -17.829 1.00 23.15 H new ATOM 1264 N THR A 82 -1.034 30.649 -20.222 1.00 1.44 N ATOM 1265 CA THR A 82 -1.724 31.522 -21.163 1.00 62.24 C ATOM 1266 C THR A 82 -1.940 32.909 -20.571 1.00 2.54 C ATOM 1267 O THR A 82 -1.789 33.920 -21.258 1.00 70.42 O ATOM 1268 CB THR A 82 -3.087 30.935 -21.578 1.00 5.22 C ATOM 1269 OG1 THR A 82 -2.897 29.878 -22.525 1.00 52.21 O ATOM 1270 CG2 THR A 82 -3.977 32.010 -22.181 1.00 54.44 C ATOM 0 H THR A 82 -1.554 29.809 -19.967 1.00 1.44 H new ATOM 0 HA THR A 82 -1.087 31.602 -22.044 1.00 62.24 H new ATOM 0 HB THR A 82 -3.575 30.540 -20.687 1.00 5.22 H new ATOM 0 HG1 THR A 82 -2.874 29.018 -22.055 1.00 52.21 H new ATOM 0 HG21 THR A 82 -4.934 31.572 -22.466 1.00 54.44 H new ATOM 0 HG22 THR A 82 -4.143 32.799 -21.447 1.00 54.44 H new ATOM 0 HG23 THR A 82 -3.493 32.431 -23.062 1.00 54.44 H new ATOM 1278 N PHE A 83 -2.293 32.952 -19.290 1.00 51.42 N ATOM 1279 CA PHE A 83 -2.530 34.217 -18.605 1.00 12.44 C ATOM 1280 C PHE A 83 -1.254 35.051 -18.544 1.00 64.02 C ATOM 1281 O PHE A 83 -1.281 36.263 -18.755 1.00 4.50 O ATOM 1282 CB PHE A 83 -3.055 33.964 -17.190 1.00 0.53 C ATOM 1283 CG PHE A 83 -3.439 35.220 -16.460 1.00 32.54 C ATOM 1284 CD1 PHE A 83 -4.327 36.121 -17.024 1.00 41.24 C ATOM 1285 CD2 PHE A 83 -2.913 35.497 -15.208 1.00 51.53 C ATOM 1286 CE1 PHE A 83 -4.681 37.277 -16.355 1.00 13.11 C ATOM 1287 CE2 PHE A 83 -3.264 36.652 -14.534 1.00 32.22 C ATOM 1288 CZ PHE A 83 -4.150 37.542 -15.108 1.00 14.24 C ATOM 0 H PHE A 83 -2.421 32.126 -18.706 1.00 51.42 H new ATOM 0 HA PHE A 83 -3.279 34.772 -19.170 1.00 12.44 H new ATOM 0 HB2 PHE A 83 -3.922 33.306 -17.245 1.00 0.53 H new ATOM 0 HB3 PHE A 83 -2.292 33.439 -16.616 1.00 0.53 H new ATOM 0 HD1 PHE A 83 -4.748 35.918 -17.998 1.00 41.24 H new ATOM 0 HD2 PHE A 83 -2.221 34.803 -14.754 1.00 51.53 H new ATOM 0 HE1 PHE A 83 -5.372 37.973 -16.807 1.00 13.11 H new ATOM 0 HE2 PHE A 83 -2.846 36.858 -13.560 1.00 32.22 H new ATOM 0 HZ PHE A 83 -4.427 38.444 -14.583 1.00 14.24 H new ATOM 1298 N SER A 84 -0.137 34.392 -18.254 1.00 65.53 N ATOM 1299 CA SER A 84 1.150 35.071 -18.161 1.00 42.24 C ATOM 1300 C SER A 84 1.485 35.782 -19.469 1.00 53.22 C ATOM 1301 O SER A 84 1.724 36.990 -19.488 1.00 21.10 O ATOM 1302 CB SER A 84 2.255 34.072 -17.814 1.00 61.42 C ATOM 1303 OG SER A 84 3.261 34.678 -17.022 1.00 2.31 O ATOM 0 H SER A 84 -0.097 33.388 -18.079 1.00 65.53 H new ATOM 0 HA SER A 84 1.082 35.816 -17.369 1.00 42.24 H new ATOM 0 HB2 SER A 84 1.828 33.224 -17.278 1.00 61.42 H new ATOM 0 HB3 SER A 84 2.696 33.680 -18.731 1.00 61.42 H new ATOM 0 HG SER A 84 3.954 34.018 -16.813 1.00 2.31 H new ATOM 1309 N ILE A 85 1.499 35.024 -20.560 1.00 40.24 N ATOM 1310 CA ILE A 85 1.803 35.581 -21.873 1.00 32.03 C ATOM 1311 C ILE A 85 0.919 36.786 -22.176 1.00 44.34 C ATOM 1312 O ILE A 85 1.392 37.804 -22.682 1.00 50.33 O ATOM 1313 CB ILE A 85 1.620 34.532 -22.985 1.00 65.23 C ATOM 1314 CG1 ILE A 85 2.513 33.317 -22.722 1.00 34.00 C ATOM 1315 CG2 ILE A 85 1.933 35.141 -24.344 1.00 61.20 C ATOM 1316 CD1 ILE A 85 3.988 33.602 -22.896 1.00 70.41 C ATOM 0 H ILE A 85 1.304 34.023 -20.561 1.00 40.24 H new ATOM 0 HA ILE A 85 2.846 35.895 -21.849 1.00 32.03 H new ATOM 0 HB ILE A 85 0.581 34.203 -22.986 1.00 65.23 H new ATOM 0 HG12 ILE A 85 2.337 32.960 -21.707 1.00 34.00 H new ATOM 0 HG13 ILE A 85 2.225 32.511 -23.397 1.00 34.00 H new ATOM 0 HG21 ILE A 85 1.799 34.387 -25.120 1.00 61.20 H new ATOM 0 HG22 ILE A 85 1.260 35.978 -24.531 1.00 61.20 H new ATOM 0 HG23 ILE A 85 2.964 35.495 -24.356 1.00 61.20 H new ATOM 0 HD11 ILE A 85 4.560 32.696 -22.694 1.00 70.41 H new ATOM 0 HD12 ILE A 85 4.177 33.930 -23.918 1.00 70.41 H new ATOM 0 HD13 ILE A 85 4.292 34.385 -22.202 1.00 70.41 H new ATOM 1328 N VAL A 86 -0.367 36.665 -21.862 1.00 65.24 N ATOM 1329 CA VAL A 86 -1.317 37.745 -22.099 1.00 4.33 C ATOM 1330 C VAL A 86 -0.848 39.041 -21.447 1.00 11.41 C ATOM 1331 O VAL A 86 -0.988 40.123 -22.018 1.00 42.34 O ATOM 1332 CB VAL A 86 -2.716 37.390 -21.561 1.00 63.15 C ATOM 1333 CG1 VAL A 86 -3.605 38.623 -21.531 1.00 53.30 C ATOM 1334 CG2 VAL A 86 -3.345 36.289 -22.402 1.00 41.21 C ATOM 0 H VAL A 86 -0.775 35.829 -21.443 1.00 65.24 H new ATOM 0 HA VAL A 86 -1.376 37.884 -23.178 1.00 4.33 H new ATOM 0 HB VAL A 86 -2.612 37.022 -20.540 1.00 63.15 H new ATOM 0 HG11 VAL A 86 -4.589 38.353 -21.148 1.00 53.30 H new ATOM 0 HG12 VAL A 86 -3.159 39.378 -20.884 1.00 53.30 H new ATOM 0 HG13 VAL A 86 -3.706 39.024 -22.540 1.00 53.30 H new ATOM 0 HG21 VAL A 86 -4.333 36.050 -22.008 1.00 41.21 H new ATOM 0 HG22 VAL A 86 -3.438 36.627 -23.434 1.00 41.21 H new ATOM 0 HG23 VAL A 86 -2.716 35.400 -22.367 1.00 41.21 H new ATOM 1344 N THR A 87 -0.290 38.925 -20.246 1.00 12.43 N ATOM 1345 CA THR A 87 0.199 40.088 -19.515 1.00 30.52 C ATOM 1346 C THR A 87 1.507 40.599 -20.107 1.00 62.10 C ATOM 1347 O THR A 87 1.800 41.793 -20.052 1.00 13.33 O ATOM 1348 CB THR A 87 0.415 39.764 -18.024 1.00 62.34 C ATOM 1349 OG1 THR A 87 -0.466 38.710 -17.619 1.00 41.21 O ATOM 1350 CG2 THR A 87 0.173 40.994 -17.163 1.00 23.23 C ATOM 0 H THR A 87 -0.165 38.038 -19.759 1.00 12.43 H new ATOM 0 HA THR A 87 -0.564 40.862 -19.604 1.00 30.52 H new ATOM 0 HB THR A 87 1.448 39.444 -17.890 1.00 62.34 H new ATOM 0 HG1 THR A 87 -0.321 38.509 -16.671 1.00 41.21 H new ATOM 0 HG21 THR A 87 0.331 40.741 -16.115 1.00 23.23 H new ATOM 0 HG22 THR A 87 0.865 41.784 -17.454 1.00 23.23 H new ATOM 0 HG23 THR A 87 -0.851 41.340 -17.302 1.00 23.23 H new ATOM 1358 N SER A 88 2.291 39.687 -20.674 1.00 51.43 N ATOM 1359 CA SER A 88 3.570 40.046 -21.275 1.00 3.43 C ATOM 1360 C SER A 88 3.365 40.914 -22.513 1.00 0.13 C ATOM 1361 O SER A 88 3.969 41.979 -22.646 1.00 35.20 O ATOM 1362 CB SER A 88 4.355 38.787 -21.645 1.00 61.44 C ATOM 1363 OG SER A 88 4.723 38.056 -20.488 1.00 42.12 O ATOM 0 H SER A 88 2.063 38.694 -20.730 1.00 51.43 H new ATOM 0 HA SER A 88 4.139 40.618 -20.542 1.00 3.43 H new ATOM 0 HB2 SER A 88 3.752 38.158 -22.300 1.00 61.44 H new ATOM 0 HB3 SER A 88 5.249 39.063 -22.204 1.00 61.44 H new ATOM 0 HG SER A 88 3.923 37.661 -20.083 1.00 42.12 H new ATOM 1369 N VAL A 89 2.508 40.450 -23.417 1.00 43.42 N ATOM 1370 CA VAL A 89 2.221 41.183 -24.645 1.00 3.14 C ATOM 1371 C VAL A 89 1.649 42.563 -24.340 1.00 31.12 C ATOM 1372 O VAL A 89 1.933 43.533 -25.043 1.00 51.22 O ATOM 1373 CB VAL A 89 1.230 40.414 -25.538 1.00 42.45 C ATOM 1374 CG1 VAL A 89 1.047 41.128 -26.869 1.00 63.45 C ATOM 1375 CG2 VAL A 89 1.704 38.984 -25.751 1.00 52.51 C ATOM 0 H VAL A 89 2.000 39.570 -23.322 1.00 43.42 H new ATOM 0 HA VAL A 89 3.166 41.294 -25.176 1.00 3.14 H new ATOM 0 HB VAL A 89 0.264 40.381 -25.035 1.00 42.45 H new ATOM 0 HG11 VAL A 89 0.343 40.570 -27.487 1.00 63.45 H new ATOM 0 HG12 VAL A 89 0.660 42.132 -26.693 1.00 63.45 H new ATOM 0 HG13 VAL A 89 2.007 41.194 -27.381 1.00 63.45 H new ATOM 0 HG21 VAL A 89 0.992 38.455 -26.384 1.00 52.51 H new ATOM 0 HG22 VAL A 89 2.682 38.993 -26.233 1.00 52.51 H new ATOM 0 HG23 VAL A 89 1.779 38.478 -24.788 1.00 52.51 H new ATOM 1385 N CYS A 90 0.842 42.643 -23.287 1.00 45.34 N ATOM 1386 CA CYS A 90 0.229 43.905 -22.889 1.00 1.22 C ATOM 1387 C CYS A 90 1.293 44.941 -22.542 1.00 42.42 C ATOM 1388 O CYS A 90 1.195 46.104 -22.936 1.00 70.44 O ATOM 1389 CB CYS A 90 -0.699 43.690 -21.692 1.00 61.35 C ATOM 1390 SG CYS A 90 -2.441 43.495 -22.135 1.00 52.23 S ATOM 0 H CYS A 90 0.598 41.850 -22.694 1.00 45.34 H new ATOM 0 HA CYS A 90 -0.355 44.278 -23.731 1.00 1.22 H new ATOM 0 HB2 CYS A 90 -0.372 42.804 -21.147 1.00 61.35 H new ATOM 0 HB3 CYS A 90 -0.600 44.537 -21.013 1.00 61.35 H new ATOM 0 HG CYS A 90 -3.145 43.316 -21.057 1.00 52.23 H new ATOM 1396 N VAL A 91 2.310 44.513 -21.801 1.00 31.22 N ATOM 1397 CA VAL A 91 3.393 45.403 -21.400 1.00 54.31 C ATOM 1398 C VAL A 91 4.047 46.054 -22.614 1.00 15.23 C ATOM 1399 O VAL A 91 4.208 47.274 -22.666 1.00 41.21 O ATOM 1400 CB VAL A 91 4.468 44.652 -20.593 1.00 33.32 C ATOM 1401 CG1 VAL A 91 5.662 45.555 -20.324 1.00 31.54 C ATOM 1402 CG2 VAL A 91 3.884 44.124 -19.291 1.00 71.21 C ATOM 0 H VAL A 91 2.407 43.554 -21.466 1.00 31.22 H new ATOM 0 HA VAL A 91 2.951 46.175 -20.771 1.00 54.31 H new ATOM 0 HB VAL A 91 4.812 43.802 -21.182 1.00 33.32 H new ATOM 0 HG11 VAL A 91 6.411 45.007 -19.753 1.00 31.54 H new ATOM 0 HG12 VAL A 91 6.093 45.879 -21.271 1.00 31.54 H new ATOM 0 HG13 VAL A 91 5.338 46.427 -19.755 1.00 31.54 H new ATOM 0 HG21 VAL A 91 4.657 43.596 -18.733 1.00 71.21 H new ATOM 0 HG22 VAL A 91 3.512 44.957 -18.695 1.00 71.21 H new ATOM 0 HG23 VAL A 91 3.064 43.440 -19.511 1.00 71.21 H new ATOM 1412 N LEU A 92 4.421 45.233 -23.589 1.00 12.05 N ATOM 1413 CA LEU A 92 5.057 45.728 -24.804 1.00 42.42 C ATOM 1414 C LEU A 92 4.140 46.699 -25.542 1.00 64.32 C ATOM 1415 O LEU A 92 4.604 47.648 -26.173 1.00 33.30 O ATOM 1416 CB LEU A 92 5.428 44.562 -25.721 1.00 70.42 C ATOM 1417 CG LEU A 92 6.891 44.118 -25.685 1.00 12.01 C ATOM 1418 CD1 LEU A 92 7.788 45.188 -26.287 1.00 2.22 C ATOM 1419 CD2 LEU A 92 7.317 43.802 -24.259 1.00 1.24 C ATOM 0 H LEU A 92 4.295 44.221 -23.562 1.00 12.05 H new ATOM 0 HA LEU A 92 5.965 46.260 -24.518 1.00 42.42 H new ATOM 0 HB2 LEU A 92 4.804 43.708 -25.460 1.00 70.42 H new ATOM 0 HB3 LEU A 92 5.178 44.838 -26.745 1.00 70.42 H new ATOM 0 HG LEU A 92 6.991 43.211 -26.282 1.00 12.01 H new ATOM 0 HD11 LEU A 92 8.825 44.855 -26.253 1.00 2.22 H new ATOM 0 HD12 LEU A 92 7.498 45.366 -27.323 1.00 2.22 H new ATOM 0 HD13 LEU A 92 7.685 46.112 -25.718 1.00 2.22 H new ATOM 0 HD21 LEU A 92 8.361 43.488 -24.252 1.00 1.24 H new ATOM 0 HD22 LEU A 92 7.202 44.691 -23.639 1.00 1.24 H new ATOM 0 HD23 LEU A 92 6.694 43.000 -23.862 1.00 1.24 H new ATOM 1632 N GLY A 108 3.537 50.378 -10.272 1.00 1.11 N ATOM 1633 CA GLY A 108 3.246 49.280 -9.369 1.00 11.13 C ATOM 1634 C GLY A 108 2.437 48.183 -10.032 1.00 22.23 C ATOM 1635 O GLY A 108 2.348 47.069 -9.514 1.00 12.33 O ATOM 0 HA2 GLY A 108 4.181 48.863 -8.996 1.00 11.13 H new ATOM 0 HA3 GLY A 108 2.699 49.659 -8.505 1.00 11.13 H new ATOM 1639 N ILE A 109 1.846 48.497 -11.179 1.00 54.22 N ATOM 1640 CA ILE A 109 1.040 47.529 -11.913 1.00 12.21 C ATOM 1641 C ILE A 109 1.800 46.223 -12.117 1.00 0.03 C ATOM 1642 O ILE A 109 1.215 45.140 -12.081 1.00 50.43 O ATOM 1643 CB ILE A 109 0.610 48.080 -13.286 1.00 22.54 C ATOM 1644 CG1 ILE A 109 0.028 46.959 -14.149 1.00 74.22 C ATOM 1645 CG2 ILE A 109 1.790 48.736 -13.986 1.00 4.20 C ATOM 1646 CD1 ILE A 109 1.029 46.351 -15.107 1.00 13.24 C ATOM 0 H ILE A 109 1.910 49.414 -11.621 1.00 54.22 H new ATOM 0 HA ILE A 109 0.151 47.339 -11.312 1.00 12.21 H new ATOM 0 HB ILE A 109 -0.162 48.834 -13.133 1.00 22.54 H new ATOM 0 HG12 ILE A 109 -0.362 46.176 -13.499 1.00 74.22 H new ATOM 0 HG13 ILE A 109 -0.816 47.350 -14.718 1.00 74.22 H new ATOM 0 HG21 ILE A 109 1.471 49.120 -14.955 1.00 4.20 H new ATOM 0 HG22 ILE A 109 2.165 49.557 -13.375 1.00 4.20 H new ATOM 0 HG23 ILE A 109 2.582 48.001 -14.131 1.00 4.20 H new ATOM 0 HD11 ILE A 109 0.547 45.563 -15.686 1.00 13.24 H new ATOM 0 HD12 ILE A 109 1.401 47.122 -15.782 1.00 13.24 H new ATOM 0 HD13 ILE A 109 1.862 45.929 -14.544 1.00 13.24 H new ATOM 1658 N ASP A 110 3.107 46.333 -12.328 1.00 71.52 N ATOM 1659 CA ASP A 110 3.949 45.160 -12.535 1.00 31.13 C ATOM 1660 C ASP A 110 4.109 44.371 -11.239 1.00 3.11 C ATOM 1661 O ASP A 110 3.859 43.166 -11.199 1.00 41.31 O ATOM 1662 CB ASP A 110 5.321 45.578 -13.065 1.00 2.00 C ATOM 1663 CG ASP A 110 5.334 45.743 -14.572 1.00 31.10 C ATOM 1664 OD1 ASP A 110 4.686 44.929 -15.263 1.00 11.42 O ATOM 1665 OD2 ASP A 110 5.993 46.685 -15.061 1.00 33.14 O ATOM 0 H ASP A 110 3.606 47.222 -12.360 1.00 71.52 H new ATOM 0 HA ASP A 110 3.464 44.520 -13.272 1.00 31.13 H new ATOM 0 HB2 ASP A 110 5.617 46.517 -12.597 1.00 2.00 H new ATOM 0 HB3 ASP A 110 6.061 44.831 -12.778 1.00 2.00 H new ATOM 1670 N ARG A 111 4.529 45.058 -10.182 1.00 11.53 N ATOM 1671 CA ARG A 111 4.725 44.422 -8.885 1.00 60.40 C ATOM 1672 C ARG A 111 3.433 43.773 -8.397 1.00 61.30 C ATOM 1673 O ARG A 111 3.461 42.813 -7.625 1.00 74.14 O ATOM 1674 CB ARG A 111 5.213 45.446 -7.859 1.00 23.43 C ATOM 1675 CG ARG A 111 6.666 45.258 -7.455 1.00 24.54 C ATOM 1676 CD ARG A 111 7.600 45.410 -8.645 1.00 50.13 C ATOM 1677 NE ARG A 111 8.902 45.944 -8.255 1.00 50.30 N ATOM 1678 CZ ARG A 111 9.122 47.229 -7.997 1.00 30.30 C ATOM 1679 NH1 ARG A 111 8.131 48.105 -8.087 1.00 5.51 N ATOM 1680 NH2 ARG A 111 10.335 47.638 -7.648 1.00 12.25 N ATOM 0 H ARG A 111 4.740 46.056 -10.198 1.00 11.53 H new ATOM 0 HA ARG A 111 5.481 43.645 -9.000 1.00 60.40 H new ATOM 0 HB2 ARG A 111 5.085 46.448 -8.269 1.00 23.43 H new ATOM 0 HB3 ARG A 111 4.586 45.383 -6.969 1.00 23.43 H new ATOM 0 HG2 ARG A 111 6.929 45.988 -6.689 1.00 24.54 H new ATOM 0 HG3 ARG A 111 6.797 44.270 -7.012 1.00 24.54 H new ATOM 0 HD2 ARG A 111 7.735 44.441 -9.126 1.00 50.13 H new ATOM 0 HD3 ARG A 111 7.143 46.071 -9.382 1.00 50.13 H new ATOM 0 HE ARG A 111 9.685 45.295 -8.176 1.00 50.30 H new ATOM 0 HH11 ARG A 111 7.197 47.793 -8.355 1.00 5.51 H new ATOM 0 HH12 ARG A 111 8.302 49.091 -7.889 1.00 5.51 H new ATOM 0 HH21 ARG A 111 11.099 46.966 -7.578 1.00 12.25 H new ATOM 0 HH22 ARG A 111 10.503 48.624 -7.450 1.00 12.25 H new ATOM 1694 N LEU A 112 2.303 44.303 -8.851 1.00 71.32 N ATOM 1695 CA LEU A 112 1.000 43.776 -8.461 1.00 33.20 C ATOM 1696 C LEU A 112 0.721 42.446 -9.153 1.00 74.35 C ATOM 1697 O LEU A 112 0.420 41.445 -8.502 1.00 2.44 O ATOM 1698 CB LEU A 112 -0.102 44.782 -8.801 1.00 24.44 C ATOM 1699 CG LEU A 112 -0.255 45.960 -7.838 1.00 20.42 C ATOM 1700 CD1 LEU A 112 -1.342 46.906 -8.322 1.00 13.44 C ATOM 1701 CD2 LEU A 112 -0.564 45.463 -6.433 1.00 2.32 C ATOM 0 H LEU A 112 2.263 45.097 -9.490 1.00 71.32 H new ATOM 0 HA LEU A 112 1.011 43.609 -7.384 1.00 33.20 H new ATOM 0 HB2 LEU A 112 0.089 45.177 -9.799 1.00 24.44 H new ATOM 0 HB3 LEU A 112 -1.052 44.249 -8.846 1.00 24.44 H new ATOM 0 HG LEU A 112 0.688 46.507 -7.809 1.00 20.42 H new ATOM 0 HD11 LEU A 112 -1.437 47.738 -7.625 1.00 13.44 H new ATOM 0 HD12 LEU A 112 -1.079 47.288 -9.309 1.00 13.44 H new ATOM 0 HD13 LEU A 112 -2.290 46.371 -8.380 1.00 13.44 H new ATOM 0 HD21 LEU A 112 -0.670 46.315 -5.761 1.00 2.32 H new ATOM 0 HD22 LEU A 112 -1.493 44.893 -6.445 1.00 2.32 H new ATOM 0 HD23 LEU A 112 0.249 44.825 -6.086 1.00 2.32 H new ATOM 1713 N PHE A 113 0.824 42.441 -10.478 1.00 52.34 N ATOM 1714 CA PHE A 113 0.584 41.234 -11.260 1.00 32.32 C ATOM 1715 C PHE A 113 1.566 40.132 -10.873 1.00 73.42 C ATOM 1716 O PHE A 113 1.234 38.946 -10.913 1.00 54.13 O ATOM 1717 CB PHE A 113 0.702 41.536 -12.755 1.00 2.30 C ATOM 1718 CG PHE A 113 -0.615 41.834 -13.413 1.00 31.25 C ATOM 1719 CD1 PHE A 113 -1.559 40.834 -13.587 1.00 3.32 C ATOM 1720 CD2 PHE A 113 -0.910 43.113 -13.856 1.00 21.02 C ATOM 1721 CE1 PHE A 113 -2.771 41.105 -14.192 1.00 52.33 C ATOM 1722 CE2 PHE A 113 -2.121 43.390 -14.462 1.00 0.14 C ATOM 1723 CZ PHE A 113 -3.053 42.385 -14.629 1.00 52.01 C ATOM 0 H PHE A 113 1.072 43.260 -11.033 1.00 52.34 H new ATOM 0 HA PHE A 113 -0.427 40.888 -11.046 1.00 32.32 H new ATOM 0 HB2 PHE A 113 1.369 42.387 -12.894 1.00 2.30 H new ATOM 0 HB3 PHE A 113 1.164 40.684 -13.254 1.00 2.30 H new ATOM 0 HD1 PHE A 113 -1.345 39.832 -13.246 1.00 3.32 H new ATOM 0 HD2 PHE A 113 -0.185 43.903 -13.726 1.00 21.02 H new ATOM 0 HE1 PHE A 113 -3.498 40.317 -14.323 1.00 52.33 H new ATOM 0 HE2 PHE A 113 -2.338 44.391 -14.804 1.00 0.14 H new ATOM 0 HZ PHE A 113 -4.001 42.599 -15.100 1.00 52.01 H new ATOM 1733 N LEU A 114 2.776 40.531 -10.499 1.00 64.35 N ATOM 1734 CA LEU A 114 3.808 39.578 -10.106 1.00 25.13 C ATOM 1735 C LEU A 114 3.485 38.953 -8.753 1.00 32.25 C ATOM 1736 O LEU A 114 3.577 37.737 -8.581 1.00 45.24 O ATOM 1737 CB LEU A 114 5.172 40.268 -10.048 1.00 44.22 C ATOM 1738 CG LEU A 114 6.141 39.936 -11.184 1.00 0.32 C ATOM 1739 CD1 LEU A 114 6.583 38.483 -11.101 1.00 52.40 C ATOM 1740 CD2 LEU A 114 5.500 40.225 -12.533 1.00 73.43 C ATOM 0 H LEU A 114 3.067 41.508 -10.459 1.00 64.35 H new ATOM 0 HA LEU A 114 3.840 38.786 -10.854 1.00 25.13 H new ATOM 0 HB2 LEU A 114 5.011 41.346 -10.038 1.00 44.22 H new ATOM 0 HB3 LEU A 114 5.649 40.008 -9.103 1.00 44.22 H new ATOM 0 HG LEU A 114 7.023 40.569 -11.081 1.00 0.32 H new ATOM 0 HD11 LEU A 114 7.272 38.265 -11.917 1.00 52.40 H new ATOM 0 HD12 LEU A 114 7.083 38.309 -10.148 1.00 52.40 H new ATOM 0 HD13 LEU A 114 5.712 37.833 -11.178 1.00 52.40 H new ATOM 0 HD21 LEU A 114 6.204 39.983 -13.329 1.00 73.43 H new ATOM 0 HD22 LEU A 114 4.601 39.619 -12.646 1.00 73.43 H new ATOM 0 HD23 LEU A 114 5.235 41.281 -12.591 1.00 73.43 H new ATOM 1752 N TRP A 115 3.103 39.791 -7.796 1.00 2.02 N ATOM 1753 CA TRP A 115 2.763 39.320 -6.458 1.00 21.10 C ATOM 1754 C TRP A 115 1.645 38.285 -6.513 1.00 54.22 C ATOM 1755 O TRP A 115 1.794 37.169 -6.015 1.00 43.11 O ATOM 1756 CB TRP A 115 2.345 40.495 -5.572 1.00 72.43 C ATOM 1757 CG TRP A 115 2.345 40.165 -4.110 1.00 55.41 C ATOM 1758 CD1 TRP A 115 3.150 39.265 -3.472 1.00 53.35 C ATOM 1759 CD2 TRP A 115 1.498 40.732 -3.104 1.00 75.13 C ATOM 1760 NE1 TRP A 115 2.854 39.238 -2.131 1.00 2.02 N ATOM 1761 CE2 TRP A 115 1.845 40.129 -1.879 1.00 52.24 C ATOM 1762 CE3 TRP A 115 0.481 41.691 -3.119 1.00 22.22 C ATOM 1763 CZ2 TRP A 115 1.210 40.455 -0.684 1.00 21.33 C ATOM 1764 CZ3 TRP A 115 -0.148 42.012 -1.931 1.00 50.52 C ATOM 1765 CH2 TRP A 115 0.218 41.397 -0.727 1.00 65.31 C ATOM 0 H TRP A 115 3.021 40.800 -7.921 1.00 2.02 H new ATOM 0 HA TRP A 115 3.648 38.849 -6.030 1.00 21.10 H new ATOM 0 HB2 TRP A 115 3.020 41.332 -5.748 1.00 72.43 H new ATOM 0 HB3 TRP A 115 1.347 40.824 -5.863 1.00 72.43 H new ATOM 0 HD1 TRP A 115 3.908 38.663 -3.951 1.00 53.35 H new ATOM 0 HE1 TRP A 115 3.312 38.649 -1.435 1.00 2.02 H new ATOM 0 HE3 TRP A 115 0.192 42.172 -4.042 1.00 22.22 H new ATOM 0 HZ2 TRP A 115 1.490 39.981 0.245 1.00 21.33 H new ATOM 0 HZ3 TRP A 115 -0.936 42.750 -1.931 1.00 50.52 H new ATOM 0 HH2 TRP A 115 -0.292 41.671 0.185 1.00 65.31 H new ATOM 1776 N ILE A 116 0.525 38.662 -7.121 1.00 40.42 N ATOM 1777 CA ILE A 116 -0.618 37.766 -7.242 1.00 23.42 C ATOM 1778 C ILE A 116 -0.244 36.499 -8.005 1.00 14.13 C ATOM 1779 O ILE A 116 -0.863 35.450 -7.828 1.00 33.43 O ATOM 1780 CB ILE A 116 -1.799 38.451 -7.954 1.00 43.10 C ATOM 1781 CG1 ILE A 116 -1.428 38.780 -9.402 1.00 10.45 C ATOM 1782 CG2 ILE A 116 -2.209 39.711 -7.207 1.00 5.34 C ATOM 1783 CD1 ILE A 116 -2.537 39.466 -10.168 1.00 51.41 C ATOM 0 H ILE A 116 0.385 39.582 -7.538 1.00 40.42 H new ATOM 0 HA ILE A 116 -0.920 37.502 -6.229 1.00 23.42 H new ATOM 0 HB ILE A 116 -2.646 37.766 -7.963 1.00 43.10 H new ATOM 0 HG12 ILE A 116 -0.545 39.419 -9.406 1.00 10.45 H new ATOM 0 HG13 ILE A 116 -1.157 37.859 -9.918 1.00 10.45 H new ATOM 0 HG21 ILE A 116 -3.045 40.184 -7.723 1.00 5.34 H new ATOM 0 HG22 ILE A 116 -2.509 39.451 -6.192 1.00 5.34 H new ATOM 0 HG23 ILE A 116 -1.367 40.402 -7.170 1.00 5.34 H new ATOM 0 HD11 ILE A 116 -2.204 39.669 -11.186 1.00 51.41 H new ATOM 0 HD12 ILE A 116 -3.414 38.820 -10.195 1.00 51.41 H new ATOM 0 HD13 ILE A 116 -2.793 40.404 -9.676 1.00 51.41 H new ATOM 1795 N PHE A 117 0.773 36.604 -8.853 1.00 41.21 N ATOM 1796 CA PHE A 117 1.230 35.467 -9.643 1.00 64.01 C ATOM 1797 C PHE A 117 2.014 34.484 -8.778 1.00 43.13 C ATOM 1798 O PHE A 117 1.914 33.269 -8.952 1.00 51.54 O ATOM 1799 CB PHE A 117 2.100 35.945 -10.808 1.00 31.31 C ATOM 1800 CG PHE A 117 2.602 34.828 -11.678 1.00 50.44 C ATOM 1801 CD1 PHE A 117 1.739 33.843 -12.131 1.00 2.31 C ATOM 1802 CD2 PHE A 117 3.937 34.764 -12.044 1.00 20.04 C ATOM 1803 CE1 PHE A 117 2.198 32.815 -12.932 1.00 71.24 C ATOM 1804 CE2 PHE A 117 4.401 33.738 -12.845 1.00 43.22 C ATOM 1805 CZ PHE A 117 3.531 32.762 -13.289 1.00 60.21 C ATOM 0 H PHE A 117 1.297 37.465 -9.011 1.00 41.21 H new ATOM 0 HA PHE A 117 0.353 34.956 -10.040 1.00 64.01 H new ATOM 0 HB2 PHE A 117 1.525 36.641 -11.419 1.00 31.31 H new ATOM 0 HB3 PHE A 117 2.952 36.498 -10.412 1.00 31.31 H new ATOM 0 HD1 PHE A 117 0.696 33.879 -11.855 1.00 2.31 H new ATOM 0 HD2 PHE A 117 4.622 35.524 -11.699 1.00 20.04 H new ATOM 0 HE1 PHE A 117 1.515 32.054 -13.279 1.00 71.24 H new ATOM 0 HE2 PHE A 117 5.444 33.700 -13.124 1.00 43.22 H new ATOM 0 HZ PHE A 117 3.892 31.959 -13.914 1.00 60.21 H new ATOM 1815 N VAL A 118 2.796 35.019 -7.845 1.00 71.34 N ATOM 1816 CA VAL A 118 3.597 34.190 -6.953 1.00 2.14 C ATOM 1817 C VAL A 118 2.712 33.391 -6.002 1.00 43.42 C ATOM 1818 O VAL A 118 3.076 32.297 -5.570 1.00 12.40 O ATOM 1819 CB VAL A 118 4.580 35.042 -6.128 1.00 21.04 C ATOM 1820 CG1 VAL A 118 5.484 34.152 -5.288 1.00 61.14 C ATOM 1821 CG2 VAL A 118 5.401 35.941 -7.040 1.00 30.12 C ATOM 0 H VAL A 118 2.891 36.022 -7.688 1.00 71.34 H new ATOM 0 HA VAL A 118 4.162 33.502 -7.582 1.00 2.14 H new ATOM 0 HB VAL A 118 4.006 35.676 -5.452 1.00 21.04 H new ATOM 0 HG11 VAL A 118 6.171 34.772 -4.712 1.00 61.14 H new ATOM 0 HG12 VAL A 118 4.877 33.555 -4.608 1.00 61.14 H new ATOM 0 HG13 VAL A 118 6.053 33.491 -5.942 1.00 61.14 H new ATOM 0 HG21 VAL A 118 6.090 36.536 -6.440 1.00 30.12 H new ATOM 0 HG22 VAL A 118 5.967 35.328 -7.742 1.00 30.12 H new ATOM 0 HG23 VAL A 118 4.735 36.604 -7.592 1.00 30.12 H new ATOM 1831 N PHE A 119 1.548 33.945 -5.681 1.00 11.34 N ATOM 1832 CA PHE A 119 0.610 33.285 -4.780 1.00 71.13 C ATOM 1833 C PHE A 119 -0.028 32.073 -5.453 1.00 24.40 C ATOM 1834 O PHE A 119 0.036 30.957 -4.937 1.00 22.14 O ATOM 1835 CB PHE A 119 -0.477 34.265 -4.334 1.00 31.23 C ATOM 1836 CG PHE A 119 -1.391 33.707 -3.280 1.00 4.21 C ATOM 1837 CD1 PHE A 119 -2.486 32.935 -3.632 1.00 11.32 C ATOM 1838 CD2 PHE A 119 -1.154 33.955 -1.937 1.00 51.34 C ATOM 1839 CE1 PHE A 119 -3.329 32.420 -2.665 1.00 4.34 C ATOM 1840 CE2 PHE A 119 -1.993 33.443 -0.966 1.00 23.32 C ATOM 1841 CZ PHE A 119 -3.082 32.675 -1.330 1.00 0.31 C ATOM 0 H PHE A 119 1.231 34.849 -6.031 1.00 11.34 H new ATOM 0 HA PHE A 119 1.164 32.944 -3.905 1.00 71.13 H new ATOM 0 HB2 PHE A 119 -0.005 35.170 -3.952 1.00 31.23 H new ATOM 0 HB3 PHE A 119 -1.070 34.557 -5.201 1.00 31.23 H new ATOM 0 HD1 PHE A 119 -2.683 32.733 -4.674 1.00 11.32 H new ATOM 0 HD2 PHE A 119 -0.304 34.555 -1.646 1.00 51.34 H new ATOM 0 HE1 PHE A 119 -4.179 31.819 -2.953 1.00 4.34 H new ATOM 0 HE2 PHE A 119 -1.798 33.643 0.077 1.00 23.32 H new ATOM 0 HZ PHE A 119 -3.739 32.275 -0.572 1.00 0.31 H new ATOM 1851 N VAL A 120 -0.643 32.300 -6.609 1.00 13.31 N ATOM 1852 CA VAL A 120 -1.292 31.228 -7.354 1.00 14.05 C ATOM 1853 C VAL A 120 -0.287 30.159 -7.767 1.00 10.04 C ATOM 1854 O VAL A 120 -0.616 28.974 -7.827 1.00 63.44 O ATOM 1855 CB VAL A 120 -1.999 31.766 -8.612 1.00 2.41 C ATOM 1856 CG1 VAL A 120 -0.995 32.417 -9.551 1.00 3.52 C ATOM 1857 CG2 VAL A 120 -2.754 30.650 -9.317 1.00 13.10 C ATOM 0 H VAL A 120 -0.705 33.217 -7.050 1.00 13.31 H new ATOM 0 HA VAL A 120 -2.035 30.787 -6.690 1.00 14.05 H new ATOM 0 HB VAL A 120 -2.720 32.524 -8.306 1.00 2.41 H new ATOM 0 HG11 VAL A 120 -1.513 32.791 -10.434 1.00 3.52 H new ATOM 0 HG12 VAL A 120 -0.503 33.245 -9.040 1.00 3.52 H new ATOM 0 HG13 VAL A 120 -0.249 31.682 -9.852 1.00 3.52 H new ATOM 0 HG21 VAL A 120 -3.247 31.048 -10.204 1.00 13.10 H new ATOM 0 HG22 VAL A 120 -2.055 29.867 -9.611 1.00 13.10 H new ATOM 0 HG23 VAL A 120 -3.502 30.233 -8.642 1.00 13.10 H new ATOM 1867 N CYS A 121 0.939 30.585 -8.049 1.00 51.50 N ATOM 1868 CA CYS A 121 1.994 29.664 -8.457 1.00 53.52 C ATOM 1869 C CYS A 121 2.409 28.765 -7.297 1.00 40.15 C ATOM 1870 O CYS A 121 2.382 27.539 -7.408 1.00 11.30 O ATOM 1871 CB CYS A 121 3.205 30.441 -8.975 1.00 41.04 C ATOM 1872 SG CYS A 121 4.767 29.539 -8.854 1.00 24.02 S ATOM 0 H CYS A 121 1.227 31.562 -8.003 1.00 51.50 H new ATOM 0 HA CYS A 121 1.605 29.036 -9.258 1.00 53.52 H new ATOM 0 HB2 CYS A 121 3.032 30.709 -10.017 1.00 41.04 H new ATOM 0 HB3 CYS A 121 3.292 31.373 -8.416 1.00 41.04 H new ATOM 0 HG CYS A 121 5.754 30.343 -9.116 1.00 24.02 H new ATOM 1878 N VAL A 122 2.795 29.383 -6.185 1.00 60.54 N ATOM 1879 CA VAL A 122 3.217 28.638 -5.005 1.00 1.22 C ATOM 1880 C VAL A 122 2.074 27.797 -4.448 1.00 64.52 C ATOM 1881 O VAL A 122 2.242 26.609 -4.169 1.00 3.32 O ATOM 1882 CB VAL A 122 3.731 29.581 -3.901 1.00 13.33 C ATOM 1883 CG1 VAL A 122 3.976 28.811 -2.612 1.00 50.30 C ATOM 1884 CG2 VAL A 122 4.996 30.294 -4.355 1.00 32.41 C ATOM 0 H VAL A 122 2.824 30.397 -6.077 1.00 60.54 H new ATOM 0 HA VAL A 122 4.028 27.981 -5.319 1.00 1.22 H new ATOM 0 HB VAL A 122 2.967 30.334 -3.706 1.00 13.33 H new ATOM 0 HG11 VAL A 122 4.339 29.494 -1.844 1.00 50.30 H new ATOM 0 HG12 VAL A 122 3.045 28.352 -2.280 1.00 50.30 H new ATOM 0 HG13 VAL A 122 4.720 28.034 -2.788 1.00 50.30 H new ATOM 0 HG21 VAL A 122 5.345 30.956 -3.562 1.00 32.41 H new ATOM 0 HG22 VAL A 122 5.768 29.558 -4.579 1.00 32.41 H new ATOM 0 HG23 VAL A 122 4.783 30.880 -5.249 1.00 32.41 H new ATOM 1894 N PHE A 123 0.911 28.419 -4.290 1.00 1.14 N ATOM 1895 CA PHE A 123 -0.261 27.728 -3.765 1.00 61.45 C ATOM 1896 C PHE A 123 -0.677 26.586 -4.689 1.00 53.50 C ATOM 1897 O PHE A 123 -1.083 25.519 -4.231 1.00 41.11 O ATOM 1898 CB PHE A 123 -1.423 28.708 -3.592 1.00 3.00 C ATOM 1899 CG PHE A 123 -2.734 28.037 -3.298 1.00 11.52 C ATOM 1900 CD1 PHE A 123 -2.845 27.130 -2.256 1.00 51.24 C ATOM 1901 CD2 PHE A 123 -3.856 28.315 -4.062 1.00 60.21 C ATOM 1902 CE1 PHE A 123 -4.050 26.511 -1.984 1.00 55.22 C ATOM 1903 CE2 PHE A 123 -5.064 27.699 -3.794 1.00 53.33 C ATOM 1904 CZ PHE A 123 -5.162 26.797 -2.753 1.00 43.02 C ATOM 0 H PHE A 123 0.755 29.401 -4.518 1.00 1.14 H new ATOM 0 HA PHE A 123 -0.000 27.310 -2.793 1.00 61.45 H new ATOM 0 HB2 PHE A 123 -1.188 29.399 -2.782 1.00 3.00 H new ATOM 0 HB3 PHE A 123 -1.524 29.303 -4.500 1.00 3.00 H new ATOM 0 HD1 PHE A 123 -1.980 26.905 -1.650 1.00 51.24 H new ATOM 0 HD2 PHE A 123 -3.786 29.021 -4.876 1.00 60.21 H new ATOM 0 HE1 PHE A 123 -4.123 25.804 -1.171 1.00 55.22 H new ATOM 0 HE2 PHE A 123 -5.931 27.923 -4.398 1.00 53.33 H new ATOM 0 HZ PHE A 123 -6.105 26.316 -2.540 1.00 43.02 H new ATOM 1914 N GLY A 124 -0.574 26.821 -5.994 1.00 11.22 N ATOM 1915 CA GLY A 124 -0.944 25.805 -6.962 1.00 10.22 C ATOM 1916 C GLY A 124 0.025 24.640 -6.978 1.00 60.31 C ATOM 1917 O GLY A 124 -0.368 23.492 -6.766 1.00 22.04 O ATOM 0 H GLY A 124 -0.241 27.697 -6.398 1.00 11.22 H new ATOM 0 HA2 GLY A 124 -1.945 25.438 -6.735 1.00 10.22 H new ATOM 0 HA3 GLY A 124 -0.986 26.252 -7.955 1.00 10.22 H new ATOM 1921 N THR A 125 1.297 24.933 -7.233 1.00 34.32 N ATOM 1922 CA THR A 125 2.324 23.900 -7.279 1.00 42.32 C ATOM 1923 C THR A 125 2.344 23.086 -5.991 1.00 21.13 C ATOM 1924 O THR A 125 2.153 21.870 -6.011 1.00 74.33 O ATOM 1925 CB THR A 125 3.721 24.508 -7.511 1.00 33.23 C ATOM 1926 OG1 THR A 125 3.977 25.531 -6.542 1.00 74.11 O ATOM 1927 CG2 THR A 125 3.832 25.090 -8.912 1.00 22.41 C ATOM 0 H THR A 125 1.640 25.877 -7.411 1.00 34.32 H new ATOM 0 HA THR A 125 2.077 23.245 -8.115 1.00 42.32 H new ATOM 0 HB THR A 125 4.461 23.714 -7.405 1.00 33.23 H new ATOM 0 HG1 THR A 125 3.482 26.341 -6.783 1.00 74.11 H new ATOM 0 HG21 THR A 125 4.827 25.513 -9.052 1.00 22.41 H new ATOM 0 HG22 THR A 125 3.666 24.303 -9.647 1.00 22.41 H new ATOM 0 HG23 THR A 125 3.083 25.872 -9.042 1.00 22.41 H new ATOM 1935 N ILE A 126 2.576 23.764 -4.872 1.00 21.54 N ATOM 1936 CA ILE A 126 2.619 23.102 -3.573 1.00 73.15 C ATOM 1937 C ILE A 126 1.325 22.341 -3.301 1.00 44.25 C ATOM 1938 O ILE A 126 1.329 21.307 -2.634 1.00 44.55 O ATOM 1939 CB ILE A 126 2.857 24.111 -2.435 1.00 13.13 C ATOM 1940 CG1 ILE A 126 4.174 24.858 -2.653 1.00 24.44 C ATOM 1941 CG2 ILE A 126 2.860 23.401 -1.089 1.00 62.45 C ATOM 1942 CD1 ILE A 126 5.381 23.948 -2.715 1.00 22.34 C ATOM 0 H ILE A 126 2.737 24.771 -4.838 1.00 21.54 H new ATOM 0 HA ILE A 126 3.451 22.399 -3.604 1.00 73.15 H new ATOM 0 HB ILE A 126 2.045 24.838 -2.438 1.00 13.13 H new ATOM 0 HG12 ILE A 126 4.110 25.428 -3.580 1.00 24.44 H new ATOM 0 HG13 ILE A 126 4.312 25.577 -1.846 1.00 24.44 H new ATOM 0 HG21 ILE A 126 3.029 24.128 -0.295 1.00 62.45 H new ATOM 0 HG22 ILE A 126 1.899 22.911 -0.934 1.00 62.45 H new ATOM 0 HG23 ILE A 126 3.654 22.655 -1.073 1.00 62.45 H new ATOM 0 HD11 ILE A 126 6.279 24.545 -2.871 1.00 22.34 H new ATOM 0 HD12 ILE A 126 5.470 23.397 -1.779 1.00 22.34 H new ATOM 0 HD13 ILE A 126 5.265 23.245 -3.540 1.00 22.34 H new ATOM 1954 N GLY A 127 0.219 22.860 -3.825 1.00 15.02 N ATOM 1955 CA GLY A 127 -1.067 22.216 -3.629 1.00 11.00 C ATOM 1956 C GLY A 127 -1.060 20.764 -4.064 1.00 34.14 C ATOM 1957 O GLY A 127 -1.395 19.874 -3.282 1.00 63.24 O ATOM 0 H GLY A 127 0.190 23.714 -4.381 1.00 15.02 H new ATOM 0 HA2 GLY A 127 -1.343 22.275 -2.576 1.00 11.00 H new ATOM 0 HA3 GLY A 127 -1.830 22.756 -4.190 1.00 11.00 H new ATOM 1961 N MET A 128 -0.680 20.524 -5.314 1.00 72.03 N ATOM 1962 CA MET A 128 -0.632 19.169 -5.851 1.00 71.04 C ATOM 1963 C MET A 128 0.663 18.470 -5.449 1.00 52.31 C ATOM 1964 O MET A 128 0.739 17.242 -5.438 1.00 22.50 O ATOM 1965 CB MET A 128 -0.758 19.197 -7.376 1.00 1.01 C ATOM 1966 CG MET A 128 0.442 19.817 -8.073 1.00 51.23 C ATOM 1967 SD MET A 128 0.175 20.049 -9.841 1.00 75.44 S ATOM 1968 CE MET A 128 -0.824 21.536 -9.841 1.00 21.30 C ATOM 0 H MET A 128 -0.401 21.250 -5.974 1.00 72.03 H new ATOM 0 HA MET A 128 -1.470 18.610 -5.434 1.00 71.04 H new ATOM 0 HB2 MET A 128 -0.893 18.179 -7.740 1.00 1.01 H new ATOM 0 HB3 MET A 128 -1.654 19.754 -7.648 1.00 1.01 H new ATOM 0 HG2 MET A 128 0.666 20.780 -7.614 1.00 51.23 H new ATOM 0 HG3 MET A 128 1.314 19.181 -7.922 1.00 51.23 H new ATOM 0 HE1 MET A 128 -1.651 21.419 -10.542 1.00 21.30 H new ATOM 0 HE2 MET A 128 -1.219 21.709 -8.840 1.00 21.30 H new ATOM 0 HE3 MET A 128 -0.211 22.386 -10.141 1.00 21.30 H new ATOM 1978 N PHE A 129 1.679 19.261 -5.120 1.00 32.04 N ATOM 1979 CA PHE A 129 2.971 18.718 -4.718 1.00 22.20 C ATOM 1980 C PHE A 129 2.893 18.104 -3.323 1.00 63.33 C ATOM 1981 O PHE A 129 3.709 17.256 -2.959 1.00 65.12 O ATOM 1982 CB PHE A 129 4.040 19.813 -4.746 1.00 75.35 C ATOM 1983 CG PHE A 129 5.444 19.281 -4.711 1.00 11.11 C ATOM 1984 CD1 PHE A 129 6.079 18.885 -5.877 1.00 75.01 C ATOM 1985 CD2 PHE A 129 6.129 19.177 -3.511 1.00 60.11 C ATOM 1986 CE1 PHE A 129 7.371 18.396 -5.848 1.00 31.30 C ATOM 1987 CE2 PHE A 129 7.422 18.689 -3.476 1.00 34.22 C ATOM 1988 CZ PHE A 129 8.043 18.297 -4.645 1.00 72.55 C ATOM 0 H PHE A 129 1.632 20.280 -5.124 1.00 32.04 H new ATOM 0 HA PHE A 129 3.244 17.935 -5.426 1.00 22.20 H new ATOM 0 HB2 PHE A 129 3.910 20.414 -5.646 1.00 75.35 H new ATOM 0 HB3 PHE A 129 3.890 20.478 -3.895 1.00 75.35 H new ATOM 0 HD1 PHE A 129 5.558 18.959 -6.820 1.00 75.01 H new ATOM 0 HD2 PHE A 129 5.648 19.480 -2.593 1.00 60.11 H new ATOM 0 HE1 PHE A 129 7.855 18.092 -6.764 1.00 31.30 H new ATOM 0 HE2 PHE A 129 7.946 18.614 -2.535 1.00 34.22 H new ATOM 0 HZ PHE A 129 9.052 17.914 -4.619 1.00 72.55 H new ATOM 1998 N LEU A 130 1.907 18.538 -2.547 1.00 32.33 N ATOM 1999 CA LEU A 130 1.721 18.032 -1.191 1.00 22.10 C ATOM 2000 C LEU A 130 0.881 16.759 -1.195 1.00 71.10 C ATOM 2001 O LEU A 130 0.572 16.205 -0.140 1.00 63.03 O ATOM 2002 CB LEU A 130 1.054 19.094 -0.316 1.00 52.40 C ATOM 2003 CG LEU A 130 1.397 19.050 1.173 1.00 31.34 C ATOM 2004 CD1 LEU A 130 2.480 20.065 1.502 1.00 11.44 C ATOM 2005 CD2 LEU A 130 0.154 19.301 2.015 1.00 40.13 C ATOM 0 H LEU A 130 1.224 19.239 -2.833 1.00 32.33 H new ATOM 0 HA LEU A 130 2.703 17.796 -0.780 1.00 22.10 H new ATOM 0 HB2 LEU A 130 1.326 20.077 -0.702 1.00 52.40 H new ATOM 0 HB3 LEU A 130 -0.026 18.997 -0.422 1.00 52.40 H new ATOM 0 HG LEU A 130 1.776 18.056 1.409 1.00 31.34 H new ATOM 0 HD11 LEU A 130 2.711 20.019 2.566 1.00 11.44 H new ATOM 0 HD12 LEU A 130 3.377 19.839 0.926 1.00 11.44 H new ATOM 0 HD13 LEU A 130 2.129 21.066 1.250 1.00 11.44 H new ATOM 0 HD21 LEU A 130 0.417 19.266 3.072 1.00 40.13 H new ATOM 0 HD22 LEU A 130 -0.256 20.282 1.775 1.00 40.13 H new ATOM 0 HD23 LEU A 130 -0.591 18.535 1.801 1.00 40.13 H new