USER MOD reduce.3.24.130724 H: found=0, std=0, add=1011, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1013 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 GLN : amide:sc= 1.74 K(o=3.5,f=-1.8) USER MOD Set 1.2: A 92 THR OG1 : rot -123:sc= 1.09 USER MOD Set 1.3: A 115 MET CE :methyl 172:sc= 0 (180deg=-0.0546) USER MOD Set 1.4: A 117 SER OG : rot 180:sc= 0.633 USER MOD Set 2.1: A 57 ASN : amide:sc= 2.11 K(o=3.3,f=-1.5) USER MOD Set 2.2: A 58 SER OG : rot -75:sc= 1.18 USER MOD Set 3.1: A 47 THR OG1 : rot -74:sc= 1.51 USER MOD Set 3.2: A 52 TYR OH : rot 164:sc= 1.26 USER MOD Set 3.3: A 86 HIS : no HD1:sc= 0.986 K(o=4.8,f=1.4) USER MOD Set 3.4: A 121 CYS SG : rot -161:sc= 1.05 USER MOD Set 4.1: A 43 LYS NZ :NH3+ 167:sc= 1.05 (180deg=0) USER MOD Set 4.2: A 91 GLN : amide:sc= 0.901 K(o=1.9,f=-2.2) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0175 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -141:sc= 0.836 USER MOD Single : A 29 ASN : amide:sc= -0.115 X(o=-0.11,f=-0.083) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0.797 K(o=0.8,f=-6!) USER MOD Single : A 36 SER OG : rot 174:sc=-0.00658 USER MOD Single : A 39 LYS NZ :NH3+ -161:sc= 1.28 (180deg=0.953) USER MOD Single : A 41 CYS SG : rot -120:sc= -2.48 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 120:sc= -0.0771 USER MOD Single : A 53 CYS SG : rot 180:sc= -0.957 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -170:sc= 0 (180deg=-0.125) USER MOD Single : A 74 GLN : amide:sc= 0.312 X(o=0.31,f=-0.056) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 1.14 K(o=1.1,f=-0.0022) USER MOD Single : A 83 LYS NZ :NH3+ 155:sc= 1.34 (180deg=1.02) USER MOD Single : A 84 SER OG : rot 156:sc= 1.25 USER MOD Single : A 85 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00111) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ -162:sc= 1.2 (180deg=0.785) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 63 N GLN A 6 7.714 28.717 0.772 1.00 0.00 N ATOM 64 CA GLN A 6 6.604 28.721 -0.187 1.00 0.00 C ATOM 65 C GLN A 6 6.230 30.095 -0.764 1.00 0.00 C ATOM 66 O GLN A 6 6.587 31.147 -0.234 1.00 0.00 O ATOM 67 CB GLN A 6 5.405 27.991 0.432 1.00 0.00 C ATOM 68 CG GLN A 6 4.607 28.809 1.458 1.00 0.00 C ATOM 69 CD GLN A 6 3.635 27.903 2.196 1.00 0.00 C ATOM 70 OE1 GLN A 6 2.558 27.577 1.723 1.00 0.00 O ATOM 71 NE2 GLN A 6 4.023 27.387 3.331 1.00 0.00 N ATOM 0 HA GLN A 6 6.951 28.183 -1.069 1.00 0.00 H new ATOM 0 HB2 GLN A 6 4.732 27.685 -0.369 1.00 0.00 H new ATOM 0 HB3 GLN A 6 5.762 27.081 0.914 1.00 0.00 H new ATOM 0 HG2 GLN A 6 5.286 29.283 2.167 1.00 0.00 H new ATOM 0 HG3 GLN A 6 4.063 29.608 0.955 1.00 0.00 H new ATOM 0 HE21 GLN A 6 4.922 27.655 3.732 1.00 0.00 H new ATOM 0 HE22 GLN A 6 3.427 26.716 3.816 1.00 0.00 H new ATOM 80 N ILE A 7 5.449 30.055 -1.854 1.00 0.00 N ATOM 81 CA ILE A 7 4.919 31.243 -2.543 1.00 0.00 C ATOM 82 C ILE A 7 3.976 32.067 -1.653 1.00 0.00 C ATOM 83 O ILE A 7 4.029 33.294 -1.686 1.00 0.00 O ATOM 84 CB ILE A 7 4.243 30.827 -3.875 1.00 0.00 C ATOM 85 CG1 ILE A 7 3.784 32.021 -4.735 1.00 0.00 C ATOM 86 CG2 ILE A 7 3.018 29.918 -3.680 1.00 0.00 C ATOM 87 CD1 ILE A 7 4.957 32.823 -5.300 1.00 0.00 C ATOM 0 H ILE A 7 5.162 29.179 -2.290 1.00 0.00 H new ATOM 0 HA ILE A 7 5.759 31.899 -2.772 1.00 0.00 H new ATOM 0 HB ILE A 7 5.035 30.283 -4.390 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.168 31.657 -5.557 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.156 32.678 -4.133 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.594 29.665 -4.652 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.320 29.005 -3.167 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.270 30.439 -3.082 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.577 33.652 -5.897 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.560 33.213 -4.480 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.572 32.176 -5.926 1.00 0.00 H new ATOM 99 N LEU A 8 3.130 31.415 -0.844 1.00 0.00 N ATOM 100 CA LEU A 8 2.188 32.125 0.038 1.00 0.00 C ATOM 101 C LEU A 8 2.917 32.814 1.201 1.00 0.00 C ATOM 102 O LEU A 8 3.780 32.217 1.848 1.00 0.00 O ATOM 103 CB LEU A 8 1.082 31.196 0.581 1.00 0.00 C ATOM 104 CG LEU A 8 0.066 30.666 -0.447 1.00 0.00 C ATOM 105 CD1 LEU A 8 -1.092 29.984 0.279 1.00 0.00 C ATOM 106 CD2 LEU A 8 -0.551 31.778 -1.290 1.00 0.00 C ATOM 0 H LEU A 8 3.077 30.398 -0.781 1.00 0.00 H new ATOM 0 HA LEU A 8 1.710 32.889 -0.575 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.559 30.342 1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.535 31.733 1.356 1.00 0.00 H new ATOM 0 HG LEU A 8 0.615 29.981 -1.093 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.809 29.610 -0.451 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.711 29.153 0.872 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.583 30.702 0.935 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.260 31.348 -1.998 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.070 32.482 -0.640 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.235 32.300 -1.836 1.00 0.00 H new ATOM 118 N VAL A 9 2.508 34.049 1.505 1.00 0.00 N ATOM 119 CA VAL A 9 2.940 34.792 2.703 1.00 0.00 C ATOM 120 C VAL A 9 1.926 34.597 3.829 1.00 0.00 C ATOM 121 O VAL A 9 0.721 34.605 3.574 1.00 0.00 O ATOM 122 CB VAL A 9 3.210 36.281 2.410 1.00 0.00 C ATOM 123 CG1 VAL A 9 4.505 36.410 1.611 1.00 0.00 C ATOM 124 CG2 VAL A 9 2.096 36.995 1.637 1.00 0.00 C ATOM 0 H VAL A 9 1.857 34.573 0.920 1.00 0.00 H new ATOM 0 HA VAL A 9 3.897 34.383 3.028 1.00 0.00 H new ATOM 0 HB VAL A 9 3.273 36.765 3.385 1.00 0.00 H new ATOM 0 HG11 VAL A 9 4.700 37.462 1.401 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.332 35.996 2.188 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.409 35.865 0.672 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.374 38.037 1.477 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.951 36.506 0.674 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.170 36.950 2.210 1.00 0.00 H new ATOM 134 N LEU A 10 2.410 34.385 5.060 1.00 0.00 N ATOM 135 CA LEU A 10 1.593 33.997 6.217 1.00 0.00 C ATOM 136 C LEU A 10 1.606 35.086 7.307 1.00 0.00 C ATOM 137 O LEU A 10 2.532 35.896 7.376 1.00 0.00 O ATOM 138 CB LEU A 10 1.943 32.590 6.778 1.00 0.00 C ATOM 139 CG LEU A 10 2.300 31.498 5.743 1.00 0.00 C ATOM 140 CD1 LEU A 10 3.773 31.543 5.339 1.00 0.00 C ATOM 141 CD2 LEU A 10 2.064 30.107 6.325 1.00 0.00 C ATOM 0 H LEU A 10 3.401 34.480 5.284 1.00 0.00 H new ATOM 0 HA LEU A 10 0.569 33.912 5.853 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.784 32.697 7.464 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.095 32.238 7.366 1.00 0.00 H new ATOM 0 HG LEU A 10 1.664 31.691 4.879 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.975 30.757 4.611 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.000 32.514 4.898 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.397 31.390 6.220 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.321 29.353 5.581 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.687 29.972 7.209 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.015 30.001 6.601 1.00 0.00 H new ATOM 153 N ASP A 11 0.592 35.102 8.172 1.00 0.00 N ATOM 154 CA ASP A 11 0.435 36.083 9.254 1.00 0.00 C ATOM 155 C ASP A 11 -0.346 35.479 10.437 1.00 0.00 C ATOM 156 O ASP A 11 -1.530 35.176 10.266 1.00 0.00 O ATOM 157 CB ASP A 11 -0.311 37.323 8.745 1.00 0.00 C ATOM 158 CG ASP A 11 -0.338 38.446 9.797 1.00 0.00 C ATOM 159 OD1 ASP A 11 0.727 38.755 10.383 1.00 0.00 O ATOM 160 OD2 ASP A 11 -1.421 39.031 10.030 1.00 0.00 O ATOM 0 H ASP A 11 -0.164 34.417 8.142 1.00 0.00 H new ATOM 0 HA ASP A 11 1.432 36.366 9.592 1.00 0.00 H new ATOM 0 HB2 ASP A 11 0.168 37.688 7.836 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.332 37.049 8.479 1.00 0.00 H new ATOM 165 N PRO A 12 0.265 35.308 11.625 1.00 0.00 N ATOM 166 CA PRO A 12 1.689 35.493 11.926 1.00 0.00 C ATOM 167 C PRO A 12 2.618 34.562 11.101 1.00 0.00 C ATOM 168 O PRO A 12 2.309 33.382 10.934 1.00 0.00 O ATOM 169 CB PRO A 12 1.822 35.224 13.432 1.00 0.00 C ATOM 170 CG PRO A 12 0.621 34.333 13.753 1.00 0.00 C ATOM 171 CD PRO A 12 -0.449 34.879 12.815 1.00 0.00 C ATOM 0 HA PRO A 12 2.008 36.499 11.653 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.763 34.727 13.668 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.798 36.150 14.007 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.832 33.281 13.560 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.324 34.412 14.799 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.189 34.115 12.576 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.986 35.710 13.272 1.00 0.00 H new ATOM 179 N PRO A 13 3.759 35.061 10.577 1.00 0.00 N ATOM 180 CA PRO A 13 4.664 34.293 9.707 1.00 0.00 C ATOM 181 C PRO A 13 5.559 33.288 10.447 1.00 0.00 C ATOM 182 O PRO A 13 5.946 32.263 9.883 1.00 0.00 O ATOM 183 CB PRO A 13 5.533 35.345 9.012 1.00 0.00 C ATOM 184 CG PRO A 13 5.549 36.524 9.982 1.00 0.00 C ATOM 185 CD PRO A 13 4.153 36.464 10.595 1.00 0.00 C ATOM 0 HA PRO A 13 4.074 33.682 9.024 1.00 0.00 H new ATOM 0 HB2 PRO A 13 6.539 34.970 8.826 1.00 0.00 H new ATOM 0 HB3 PRO A 13 5.116 35.630 8.046 1.00 0.00 H new ATOM 0 HG2 PRO A 13 6.329 36.419 10.736 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.727 37.469 9.469 1.00 0.00 H new ATOM 0 HD2 PRO A 13 4.158 36.853 11.613 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.451 37.072 10.025 1.00 0.00 H new ATOM 193 N THR A 14 5.922 33.607 11.690 1.00 0.00 N ATOM 194 CA THR A 14 6.921 32.876 12.490 1.00 0.00 C ATOM 195 C THR A 14 6.319 31.755 13.341 1.00 0.00 C ATOM 196 O THR A 14 6.729 30.600 13.212 1.00 0.00 O ATOM 197 CB THR A 14 7.704 33.837 13.397 1.00 0.00 C ATOM 198 OG1 THR A 14 6.823 34.751 14.023 1.00 0.00 O ATOM 199 CG2 THR A 14 8.722 34.658 12.606 1.00 0.00 C ATOM 0 H THR A 14 5.521 34.402 12.187 1.00 0.00 H new ATOM 0 HA THR A 14 7.592 32.411 11.768 1.00 0.00 H new ATOM 0 HB THR A 14 8.220 33.221 14.133 1.00 0.00 H new ATOM 0 HG1 THR A 14 7.335 35.356 14.599 1.00 0.00 H new ATOM 0 HG21 THR A 14 9.256 35.326 13.283 1.00 0.00 H new ATOM 0 HG22 THR A 14 9.433 33.988 12.122 1.00 0.00 H new ATOM 0 HG23 THR A 14 8.205 35.247 11.848 1.00 0.00 H new ATOM 207 N ASP A 15 5.343 32.075 14.196 1.00 0.00 N ATOM 208 CA ASP A 15 4.763 31.155 15.185 1.00 0.00 C ATOM 209 C ASP A 15 3.244 31.356 15.336 1.00 0.00 C ATOM 210 O ASP A 15 2.751 32.476 15.189 1.00 0.00 O ATOM 211 CB ASP A 15 5.412 31.380 16.570 1.00 0.00 C ATOM 212 CG ASP A 15 6.925 31.671 16.567 1.00 0.00 C ATOM 213 OD1 ASP A 15 7.730 30.772 16.231 1.00 0.00 O ATOM 214 OD2 ASP A 15 7.328 32.791 16.965 1.00 0.00 O ATOM 0 H ASP A 15 4.922 33.004 14.222 1.00 0.00 H new ATOM 0 HA ASP A 15 4.956 30.144 14.825 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.903 32.212 17.057 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.233 30.495 17.181 1.00 0.00 H new ATOM 219 N LEU A 16 2.501 30.304 15.703 1.00 0.00 N ATOM 220 CA LEU A 16 1.090 30.416 16.093 1.00 0.00 C ATOM 221 C LEU A 16 1.023 30.703 17.597 1.00 0.00 C ATOM 222 O LEU A 16 1.552 29.945 18.409 1.00 0.00 O ATOM 223 CB LEU A 16 0.323 29.118 15.781 1.00 0.00 C ATOM 224 CG LEU A 16 -0.305 28.976 14.384 1.00 0.00 C ATOM 225 CD1 LEU A 16 -1.488 29.914 14.164 1.00 0.00 C ATOM 226 CD2 LEU A 16 0.688 29.176 13.246 1.00 0.00 C ATOM 0 H LEU A 16 2.862 29.351 15.738 1.00 0.00 H new ATOM 0 HA LEU A 16 0.627 31.224 15.527 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.006 28.281 15.928 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.473 29.013 16.519 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.655 27.944 14.363 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.888 29.767 13.161 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.264 29.700 14.899 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.159 30.947 14.275 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.175 29.061 12.291 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.118 30.176 13.309 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.483 28.434 13.322 1.00 0.00 H new ATOM 238 N LYS A 17 0.341 31.785 17.974 1.00 0.00 N ATOM 239 CA LYS A 17 0.194 32.209 19.372 1.00 0.00 C ATOM 240 C LYS A 17 -1.205 31.882 19.884 1.00 0.00 C ATOM 241 O LYS A 17 -2.209 32.190 19.238 1.00 0.00 O ATOM 242 CB LYS A 17 0.568 33.696 19.523 1.00 0.00 C ATOM 243 CG LYS A 17 2.040 33.948 19.146 1.00 0.00 C ATOM 244 CD LYS A 17 2.445 35.411 19.360 1.00 0.00 C ATOM 245 CE LYS A 17 3.917 35.604 18.961 1.00 0.00 C ATOM 246 NZ LYS A 17 4.361 37.011 19.155 1.00 0.00 N ATOM 0 H LYS A 17 -0.131 32.400 17.312 1.00 0.00 H new ATOM 0 HA LYS A 17 0.889 31.650 19.999 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.080 34.302 18.889 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.395 34.013 20.551 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.683 33.303 19.744 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.199 33.677 18.102 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.808 36.066 18.765 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.302 35.689 20.404 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.545 34.939 19.554 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.051 35.321 17.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.359 37.102 18.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.778 37.643 18.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.257 37.273 20.156 1.00 0.00 H new ATOM 260 N PHE A 18 -1.245 31.256 21.053 1.00 0.00 N ATOM 261 CA PHE A 18 -2.452 30.854 21.770 1.00 0.00 C ATOM 262 C PHE A 18 -2.447 31.490 23.167 1.00 0.00 C ATOM 263 O PHE A 18 -1.664 31.100 24.033 1.00 0.00 O ATOM 264 CB PHE A 18 -2.508 29.318 21.819 1.00 0.00 C ATOM 265 CG PHE A 18 -2.542 28.667 20.450 1.00 0.00 C ATOM 266 CD1 PHE A 18 -3.771 28.590 19.775 1.00 0.00 C ATOM 267 CD2 PHE A 18 -1.372 28.181 19.829 1.00 0.00 C ATOM 268 CE1 PHE A 18 -3.846 28.024 18.494 1.00 0.00 C ATOM 269 CE2 PHE A 18 -1.449 27.618 18.545 1.00 0.00 C ATOM 270 CZ PHE A 18 -2.678 27.551 17.869 1.00 0.00 C ATOM 0 H PHE A 18 -0.394 31.001 21.554 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.349 31.204 21.260 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -1.641 28.949 22.366 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.392 29.013 22.379 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.666 28.970 20.246 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.422 28.242 20.339 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -4.798 27.952 17.989 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.556 27.234 18.074 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.726 27.138 16.872 1.00 0.00 H new ATOM 280 N LYS A 19 -3.301 32.498 23.379 1.00 0.00 N ATOM 281 CA LYS A 19 -3.492 33.167 24.680 1.00 0.00 C ATOM 282 C LYS A 19 -4.876 32.852 25.244 1.00 0.00 C ATOM 283 O LYS A 19 -5.871 33.042 24.542 1.00 0.00 O ATOM 284 CB LYS A 19 -3.195 34.673 24.535 1.00 0.00 C ATOM 285 CG LYS A 19 -3.152 35.451 25.867 1.00 0.00 C ATOM 286 CD LYS A 19 -4.494 36.013 26.376 1.00 0.00 C ATOM 287 CE LYS A 19 -5.071 37.076 25.426 1.00 0.00 C ATOM 288 NZ LYS A 19 -6.322 37.684 25.965 1.00 0.00 N ATOM 0 H LYS A 19 -3.891 32.882 22.641 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.784 32.783 25.415 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.238 34.794 24.028 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.954 35.119 23.893 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.744 34.793 26.634 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.454 36.281 25.756 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.210 35.198 26.486 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.353 36.449 27.365 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.329 37.857 25.262 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.276 36.623 24.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.679 38.395 25.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.039 36.943 26.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.121 38.139 26.878 1.00 0.00 H new ATOM 302 N GLY A 20 -4.966 32.402 26.496 1.00 0.00 N ATOM 303 CA GLY A 20 -6.229 32.050 27.123 1.00 0.00 C ATOM 304 C GLY A 20 -6.000 31.222 28.384 1.00 0.00 C ATOM 305 O GLY A 20 -4.864 31.098 28.852 1.00 0.00 O ATOM 0 H GLY A 20 -4.156 32.273 27.103 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.780 32.956 27.374 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.844 31.487 26.421 1.00 0.00 H new ATOM 309 N PRO A 21 -7.072 30.652 28.953 1.00 0.00 N ATOM 310 CA PRO A 21 -6.967 29.882 30.194 1.00 0.00 C ATOM 311 C PRO A 21 -6.612 28.400 30.048 1.00 0.00 C ATOM 312 O PRO A 21 -6.138 27.715 30.954 1.00 0.00 O ATOM 313 CB PRO A 21 -8.353 30.026 30.796 1.00 0.00 C ATOM 314 CG PRO A 21 -9.307 30.181 29.611 1.00 0.00 C ATOM 315 CD PRO A 21 -8.459 30.946 28.604 1.00 0.00 C ATOM 0 HA PRO A 21 -6.141 30.263 30.794 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -8.612 29.153 31.395 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -8.405 30.892 31.456 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.629 29.216 29.220 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -10.208 30.731 29.884 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.682 30.631 27.585 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.658 32.016 28.657 1.00 0.00 H new ATOM 323 N PHE A 22 -6.947 27.964 28.854 1.00 0.00 N ATOM 324 CA PHE A 22 -6.981 26.628 28.259 1.00 0.00 C ATOM 325 C PHE A 22 -7.996 25.684 28.920 1.00 0.00 C ATOM 326 O PHE A 22 -7.939 24.472 28.758 1.00 0.00 O ATOM 327 CB PHE A 22 -5.558 26.087 28.112 1.00 0.00 C ATOM 328 CG PHE A 22 -4.597 27.024 27.397 1.00 0.00 C ATOM 329 CD1 PHE A 22 -4.482 27.006 25.994 1.00 0.00 C ATOM 330 CD2 PHE A 22 -3.816 27.925 28.143 1.00 0.00 C ATOM 331 CE1 PHE A 22 -3.528 27.820 25.356 1.00 0.00 C ATOM 332 CE2 PHE A 22 -2.871 28.749 27.507 1.00 0.00 C ATOM 333 CZ PHE A 22 -2.712 28.679 26.113 1.00 0.00 C ATOM 0 H PHE A 22 -7.253 28.646 28.160 1.00 0.00 H new ATOM 0 HA PHE A 22 -7.380 26.703 27.248 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.162 25.868 29.104 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -5.596 25.143 27.569 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.126 26.367 25.407 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -3.943 27.984 29.214 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.422 27.785 24.282 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.270 29.433 28.088 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.964 29.284 25.623 1.00 0.00 H new ATOM 343 N THR A 23 -8.983 26.262 29.608 1.00 0.00 N ATOM 344 CA THR A 23 -10.172 25.579 30.157 1.00 0.00 C ATOM 345 C THR A 23 -11.297 25.417 29.122 1.00 0.00 C ATOM 346 O THR A 23 -12.224 24.628 29.317 1.00 0.00 O ATOM 347 CB THR A 23 -10.684 26.342 31.384 1.00 0.00 C ATOM 348 OG1 THR A 23 -11.056 27.654 31.018 1.00 0.00 O ATOM 349 CG2 THR A 23 -9.575 26.472 32.427 1.00 0.00 C ATOM 0 H THR A 23 -8.982 27.262 29.810 1.00 0.00 H new ATOM 0 HA THR A 23 -9.865 24.573 30.445 1.00 0.00 H new ATOM 0 HB THR A 23 -11.534 25.791 31.786 1.00 0.00 H new ATOM 0 HG1 THR A 23 -11.383 28.133 31.808 1.00 0.00 H new ATOM 0 HG21 THR A 23 -9.952 27.016 33.293 1.00 0.00 H new ATOM 0 HG22 THR A 23 -9.248 25.479 32.736 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.733 27.014 31.997 1.00 0.00 H new ATOM 357 N ASP A 24 -11.186 26.126 27.993 1.00 0.00 N ATOM 358 CA ASP A 24 -12.010 25.987 26.784 1.00 0.00 C ATOM 359 C ASP A 24 -11.137 26.112 25.511 1.00 0.00 C ATOM 360 O ASP A 24 -9.932 26.374 25.590 1.00 0.00 O ATOM 361 CB ASP A 24 -13.121 27.058 26.794 1.00 0.00 C ATOM 362 CG ASP A 24 -14.392 26.678 26.009 1.00 0.00 C ATOM 363 OD1 ASP A 24 -14.386 25.687 25.237 1.00 0.00 O ATOM 364 OD2 ASP A 24 -15.413 27.392 26.157 1.00 0.00 O ATOM 0 H ASP A 24 -10.479 26.854 27.891 1.00 0.00 H new ATOM 0 HA ASP A 24 -12.470 24.999 26.776 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -13.398 27.265 27.828 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.719 27.983 26.381 1.00 0.00 H new ATOM 369 N VAL A 25 -11.743 25.940 24.334 1.00 0.00 N ATOM 370 CA VAL A 25 -11.089 26.075 23.023 1.00 0.00 C ATOM 371 C VAL A 25 -10.532 27.492 22.817 1.00 0.00 C ATOM 372 O VAL A 25 -11.223 28.486 23.057 1.00 0.00 O ATOM 373 CB VAL A 25 -12.075 25.720 21.889 1.00 0.00 C ATOM 374 CG1 VAL A 25 -11.504 25.997 20.492 1.00 0.00 C ATOM 375 CG2 VAL A 25 -12.459 24.236 21.933 1.00 0.00 C ATOM 0 H VAL A 25 -12.731 25.696 24.261 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.252 25.377 22.997 1.00 0.00 H new ATOM 0 HB VAL A 25 -12.944 26.357 22.057 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -12.243 25.728 19.737 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.262 27.056 20.401 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.601 25.404 20.344 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -13.154 24.016 21.123 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -11.564 23.625 21.819 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -12.933 24.011 22.889 1.00 0.00 H new ATOM 385 N VAL A 26 -9.299 27.575 22.307 1.00 0.00 N ATOM 386 CA VAL A 26 -8.654 28.812 21.841 1.00 0.00 C ATOM 387 C VAL A 26 -8.780 28.914 20.323 1.00 0.00 C ATOM 388 O VAL A 26 -8.417 27.980 19.607 1.00 0.00 O ATOM 389 CB VAL A 26 -7.167 28.875 22.242 1.00 0.00 C ATOM 390 CG1 VAL A 26 -6.556 30.252 21.959 1.00 0.00 C ATOM 391 CG2 VAL A 26 -6.958 28.600 23.728 1.00 0.00 C ATOM 0 H VAL A 26 -8.700 26.756 22.203 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.161 29.650 22.318 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.680 28.107 21.641 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.507 30.253 22.256 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.631 30.472 20.894 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.094 31.012 22.525 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.895 28.655 23.962 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.498 29.343 24.315 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.331 27.605 23.970 1.00 0.00 H new ATOM 401 N THR A 27 -9.243 30.059 19.830 1.00 0.00 N ATOM 402 CA THR A 27 -9.312 30.362 18.388 1.00 0.00 C ATOM 403 C THR A 27 -8.170 31.296 17.995 1.00 0.00 C ATOM 404 O THR A 27 -8.019 32.376 18.572 1.00 0.00 O ATOM 405 CB THR A 27 -10.676 30.956 17.996 1.00 0.00 C ATOM 406 OG1 THR A 27 -11.696 30.031 18.309 1.00 0.00 O ATOM 407 CG2 THR A 27 -10.783 31.247 16.495 1.00 0.00 C ATOM 0 H THR A 27 -9.587 30.817 20.420 1.00 0.00 H new ATOM 0 HA THR A 27 -9.204 29.427 17.839 1.00 0.00 H new ATOM 0 HB THR A 27 -10.780 31.890 18.548 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.566 30.408 18.062 1.00 0.00 H new ATOM 0 HG21 THR A 27 -11.765 31.665 16.274 1.00 0.00 H new ATOM 0 HG22 THR A 27 -10.012 31.962 16.207 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.648 30.322 15.935 1.00 0.00 H new ATOM 415 N THR A 28 -7.400 30.899 16.981 1.00 0.00 N ATOM 416 CA THR A 28 -6.289 31.678 16.412 1.00 0.00 C ATOM 417 C THR A 28 -6.426 31.644 14.898 1.00 0.00 C ATOM 418 O THR A 28 -6.405 30.570 14.302 1.00 0.00 O ATOM 419 CB THR A 28 -4.927 31.114 16.872 1.00 0.00 C ATOM 420 OG1 THR A 28 -4.759 31.390 18.245 1.00 0.00 O ATOM 421 CG2 THR A 28 -3.719 31.721 16.151 1.00 0.00 C ATOM 0 H THR A 28 -7.533 30.001 16.516 1.00 0.00 H new ATOM 0 HA THR A 28 -6.330 32.709 16.762 1.00 0.00 H new ATOM 0 HB THR A 28 -4.955 30.049 16.644 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.825 31.632 18.418 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.803 31.270 16.533 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.799 31.528 15.081 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.694 32.797 16.325 1.00 0.00 H new ATOM 429 N ASN A 29 -6.590 32.805 14.262 1.00 0.00 N ATOM 430 CA ASN A 29 -6.606 32.906 12.808 1.00 0.00 C ATOM 431 C ASN A 29 -5.187 33.100 12.243 1.00 0.00 C ATOM 432 O ASN A 29 -4.355 33.801 12.824 1.00 0.00 O ATOM 433 CB ASN A 29 -7.612 33.975 12.350 1.00 0.00 C ATOM 434 CG ASN A 29 -7.374 35.357 12.940 1.00 0.00 C ATOM 435 OD1 ASN A 29 -6.597 36.154 12.434 1.00 0.00 O ATOM 436 ND2 ASN A 29 -8.039 35.677 14.029 1.00 0.00 N ATOM 0 H ASN A 29 -6.715 33.697 14.741 1.00 0.00 H new ATOM 0 HA ASN A 29 -6.956 31.962 12.390 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -7.577 34.047 11.263 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -8.617 33.648 12.616 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -7.908 36.594 14.456 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -8.686 35.008 14.447 1.00 0.00 H new ATOM 443 N LEU A 30 -4.940 32.476 11.092 1.00 0.00 N ATOM 444 CA LEU A 30 -3.740 32.611 10.273 1.00 0.00 C ATOM 445 C LEU A 30 -4.169 33.168 8.910 1.00 0.00 C ATOM 446 O LEU A 30 -5.033 32.581 8.257 1.00 0.00 O ATOM 447 CB LEU A 30 -3.064 31.229 10.157 1.00 0.00 C ATOM 448 CG LEU A 30 -1.673 31.279 9.501 1.00 0.00 C ATOM 449 CD1 LEU A 30 -0.604 31.755 10.477 1.00 0.00 C ATOM 450 CD2 LEU A 30 -1.250 29.896 9.015 1.00 0.00 C ATOM 0 H LEU A 30 -5.612 31.826 10.684 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.014 33.294 10.713 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.972 30.794 11.152 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.707 30.567 9.577 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.756 31.977 8.668 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.363 31.776 9.975 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.852 32.756 10.829 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.557 31.073 11.326 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.264 29.958 8.555 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.214 29.209 9.860 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.970 29.532 8.282 1.00 0.00 H new ATOM 462 N LYS A 31 -3.606 34.295 8.474 1.00 0.00 N ATOM 463 CA LYS A 31 -3.991 34.965 7.223 1.00 0.00 C ATOM 464 C LYS A 31 -2.960 34.701 6.129 1.00 0.00 C ATOM 465 O LYS A 31 -1.782 34.991 6.328 1.00 0.00 O ATOM 466 CB LYS A 31 -4.175 36.466 7.493 1.00 0.00 C ATOM 467 CG LYS A 31 -5.073 37.116 6.436 1.00 0.00 C ATOM 468 CD LYS A 31 -5.465 38.562 6.771 1.00 0.00 C ATOM 469 CE LYS A 31 -6.425 38.634 7.968 1.00 0.00 C ATOM 470 NZ LYS A 31 -6.862 40.031 8.237 1.00 0.00 N ATOM 0 H LYS A 31 -2.863 34.776 8.981 1.00 0.00 H new ATOM 0 HA LYS A 31 -4.938 34.561 6.864 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -4.611 36.609 8.482 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.203 36.958 7.500 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.559 37.101 5.475 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.978 36.519 6.323 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.567 39.140 6.991 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.935 39.021 5.901 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.298 38.010 7.773 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.935 38.229 8.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.509 40.042 9.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.031 40.620 8.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.352 40.409 7.401 1.00 0.00 H new ATOM 484 N LEU A 32 -3.386 34.137 4.997 1.00 0.00 N ATOM 485 CA LEU A 32 -2.504 33.748 3.897 1.00 0.00 C ATOM 486 C LEU A 32 -2.807 34.551 2.634 1.00 0.00 C ATOM 487 O LEU A 32 -3.911 34.433 2.103 1.00 0.00 O ATOM 488 CB LEU A 32 -2.612 32.240 3.576 1.00 0.00 C ATOM 489 CG LEU A 32 -2.333 31.202 4.674 1.00 0.00 C ATOM 490 CD1 LEU A 32 -1.254 31.621 5.652 1.00 0.00 C ATOM 491 CD2 LEU A 32 -3.580 30.853 5.476 1.00 0.00 C ATOM 0 H LEU A 32 -4.369 33.935 4.817 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.487 33.963 4.227 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.621 32.058 3.206 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.928 32.033 2.752 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.985 30.329 4.122 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.114 30.838 6.397 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.319 31.783 5.115 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.552 32.545 6.149 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.328 30.116 6.238 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.968 31.752 5.955 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.338 30.441 4.810 1.00 0.00 H new ATOM 503 N ARG A 33 -1.837 35.316 2.120 1.00 0.00 N ATOM 504 CA ARG A 33 -1.955 36.056 0.846 1.00 0.00 C ATOM 505 C ARG A 33 -1.067 35.441 -0.234 1.00 0.00 C ATOM 506 O ARG A 33 0.016 34.935 0.059 1.00 0.00 O ATOM 507 CB ARG A 33 -1.708 37.567 1.067 1.00 0.00 C ATOM 508 CG ARG A 33 -2.034 38.397 -0.186 1.00 0.00 C ATOM 509 CD ARG A 33 -2.034 39.909 0.052 1.00 0.00 C ATOM 510 NE ARG A 33 -2.665 40.589 -1.099 1.00 0.00 N ATOM 511 CZ ARG A 33 -2.474 41.820 -1.531 1.00 0.00 C ATOM 512 NH1 ARG A 33 -1.655 42.651 -0.952 1.00 0.00 N ATOM 513 NH2 ARG A 33 -3.129 42.227 -2.579 1.00 0.00 N ATOM 0 H ARG A 33 -0.935 35.444 2.578 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.976 35.965 0.476 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -2.318 37.915 1.901 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -0.666 37.726 1.346 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -1.308 38.162 -0.964 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -3.012 38.099 -0.563 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -2.576 40.144 0.968 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -1.013 40.267 0.185 1.00 0.00 H new ATOM 0 HE ARG A 33 -3.336 40.033 -1.629 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -1.129 42.358 -0.129 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -1.540 43.594 -1.322 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -3.777 41.597 -3.052 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -2.994 43.176 -2.928 1.00 0.00 H new ATOM 527 N ASN A 34 -1.505 35.533 -1.488 1.00 0.00 N ATOM 528 CA ASN A 34 -0.747 35.069 -2.648 1.00 0.00 C ATOM 529 C ASN A 34 -0.129 36.273 -3.387 1.00 0.00 C ATOM 530 O ASN A 34 -0.866 37.068 -3.973 1.00 0.00 O ATOM 531 CB ASN A 34 -1.701 34.251 -3.542 1.00 0.00 C ATOM 532 CG ASN A 34 -1.032 33.678 -4.781 1.00 0.00 C ATOM 533 OD1 ASN A 34 0.162 33.809 -4.998 1.00 0.00 O ATOM 534 ND2 ASN A 34 -1.790 33.032 -5.629 1.00 0.00 N ATOM 0 H ASN A 34 -2.409 35.938 -1.730 1.00 0.00 H new ATOM 0 HA ASN A 34 0.083 34.429 -2.349 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -2.123 33.434 -2.957 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.532 34.886 -3.849 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -1.384 32.635 -6.476 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -2.787 32.925 -5.443 1.00 0.00 H new ATOM 541 N PRO A 35 1.214 36.396 -3.405 1.00 0.00 N ATOM 542 CA PRO A 35 1.907 37.485 -4.094 1.00 0.00 C ATOM 543 C PRO A 35 1.970 37.305 -5.624 1.00 0.00 C ATOM 544 O PRO A 35 2.177 38.269 -6.365 1.00 0.00 O ATOM 545 CB PRO A 35 3.320 37.462 -3.516 1.00 0.00 C ATOM 546 CG PRO A 35 3.555 36.019 -3.099 1.00 0.00 C ATOM 547 CD PRO A 35 2.167 35.561 -2.679 1.00 0.00 C ATOM 0 HA PRO A 35 1.378 38.426 -3.941 1.00 0.00 H new ATOM 0 HB2 PRO A 35 4.054 37.783 -4.256 1.00 0.00 H new ATOM 0 HB3 PRO A 35 3.409 38.138 -2.665 1.00 0.00 H new ATOM 0 HG2 PRO A 35 3.948 35.419 -3.920 1.00 0.00 H new ATOM 0 HG3 PRO A 35 4.270 35.946 -2.280 1.00 0.00 H new ATOM 0 HD2 PRO A 35 2.018 34.508 -2.916 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.033 35.667 -1.602 1.00 0.00 H new ATOM 555 N SER A 36 1.848 36.055 -6.080 1.00 0.00 N ATOM 556 CA SER A 36 2.018 35.611 -7.471 1.00 0.00 C ATOM 557 C SER A 36 0.938 36.122 -8.439 1.00 0.00 C ATOM 558 O SER A 36 -0.082 36.690 -8.043 1.00 0.00 O ATOM 559 CB SER A 36 2.026 34.073 -7.515 1.00 0.00 C ATOM 560 OG SER A 36 2.717 33.602 -8.660 1.00 0.00 O ATOM 0 H SER A 36 1.615 35.282 -5.457 1.00 0.00 H new ATOM 0 HA SER A 36 2.964 36.036 -7.806 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.499 33.682 -6.614 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.002 33.700 -7.525 1.00 0.00 H new ATOM 0 HG SER A 36 2.789 32.625 -8.620 1.00 0.00 H new ATOM 566 N ASP A 37 1.146 35.825 -9.725 1.00 0.00 N ATOM 567 CA ASP A 37 0.199 35.998 -10.837 1.00 0.00 C ATOM 568 C ASP A 37 -0.351 34.630 -11.318 1.00 0.00 C ATOM 569 O ASP A 37 -0.646 34.424 -12.498 1.00 0.00 O ATOM 570 CB ASP A 37 0.872 36.831 -11.941 1.00 0.00 C ATOM 571 CG ASP A 37 -0.109 37.304 -13.028 1.00 0.00 C ATOM 572 OD1 ASP A 37 -1.215 37.795 -12.686 1.00 0.00 O ATOM 573 OD2 ASP A 37 0.242 37.242 -14.233 1.00 0.00 O ATOM 0 H ASP A 37 2.034 35.433 -10.040 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.680 36.552 -10.508 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.351 37.700 -11.490 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.660 36.238 -12.405 1.00 0.00 H new ATOM 578 N ARG A 38 -0.446 33.666 -10.385 1.00 0.00 N ATOM 579 CA ARG A 38 -0.849 32.264 -10.585 1.00 0.00 C ATOM 580 C ARG A 38 -1.790 31.841 -9.458 1.00 0.00 C ATOM 581 O ARG A 38 -1.691 32.374 -8.353 1.00 0.00 O ATOM 582 CB ARG A 38 0.390 31.349 -10.550 1.00 0.00 C ATOM 583 CG ARG A 38 1.479 31.660 -11.587 1.00 0.00 C ATOM 584 CD ARG A 38 2.691 30.763 -11.314 1.00 0.00 C ATOM 585 NE ARG A 38 3.776 30.985 -12.286 1.00 0.00 N ATOM 586 CZ ARG A 38 5.000 30.490 -12.211 1.00 0.00 C ATOM 587 NH1 ARG A 38 5.378 29.723 -11.225 1.00 0.00 N ATOM 588 NH2 ARG A 38 5.877 30.760 -13.137 1.00 0.00 N ATOM 0 H ARG A 38 -0.229 33.859 -9.407 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.347 32.176 -11.551 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.834 31.408 -9.556 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.062 30.319 -10.693 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.101 31.487 -12.595 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.766 32.710 -11.530 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.063 30.953 -10.307 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.383 29.718 -11.348 1.00 0.00 H new ATOM 0 HE ARG A 38 3.563 31.575 -13.091 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.721 29.488 -10.481 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.330 29.358 -11.199 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.620 31.356 -13.924 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.820 30.376 -13.074 1.00 0.00 H new ATOM 602 N LYS A 39 -2.648 30.852 -9.700 1.00 0.00 N ATOM 603 CA LYS A 39 -3.470 30.209 -8.655 1.00 0.00 C ATOM 604 C LYS A 39 -2.644 29.139 -7.937 1.00 0.00 C ATOM 605 O LYS A 39 -1.808 28.477 -8.549 1.00 0.00 O ATOM 606 CB LYS A 39 -4.785 29.644 -9.234 1.00 0.00 C ATOM 607 CG LYS A 39 -5.713 30.735 -9.802 1.00 0.00 C ATOM 608 CD LYS A 39 -5.529 30.977 -11.312 1.00 0.00 C ATOM 609 CE LYS A 39 -6.034 32.350 -11.786 1.00 0.00 C ATOM 610 NZ LYS A 39 -7.491 32.552 -11.541 1.00 0.00 N ATOM 0 H LYS A 39 -2.800 30.465 -10.632 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.762 30.961 -7.922 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.550 28.929 -10.022 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.313 29.096 -8.453 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.749 30.454 -9.611 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.532 31.668 -9.268 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.472 30.884 -11.559 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.055 30.197 -11.862 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.473 33.133 -11.275 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.832 32.457 -12.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.841 33.322 -12.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.005 31.676 -11.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.644 32.800 -10.543 1.00 0.00 H new ATOM 624 N VAL A 40 -2.860 28.961 -6.638 1.00 0.00 N ATOM 625 CA VAL A 40 -2.080 28.026 -5.801 1.00 0.00 C ATOM 626 C VAL A 40 -2.990 27.299 -4.819 1.00 0.00 C ATOM 627 O VAL A 40 -3.816 27.910 -4.146 1.00 0.00 O ATOM 628 CB VAL A 40 -0.907 28.761 -5.119 1.00 0.00 C ATOM 629 CG1 VAL A 40 -1.375 29.848 -4.156 1.00 0.00 C ATOM 630 CG2 VAL A 40 0.035 27.826 -4.356 1.00 0.00 C ATOM 0 H VAL A 40 -3.585 29.461 -6.122 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.636 27.257 -6.434 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.362 29.213 -5.948 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.509 30.332 -3.705 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.962 30.588 -4.700 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.989 29.402 -3.374 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.836 28.409 -3.901 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.522 27.305 -3.577 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.462 27.098 -5.046 1.00 0.00 H new ATOM 640 N CYS A 41 -2.843 25.982 -4.739 1.00 0.00 N ATOM 641 CA CYS A 41 -3.585 25.122 -3.824 1.00 0.00 C ATOM 642 C CYS A 41 -2.847 25.056 -2.484 1.00 0.00 C ATOM 643 O CYS A 41 -1.624 24.907 -2.472 1.00 0.00 O ATOM 644 CB CYS A 41 -3.749 23.752 -4.493 1.00 0.00 C ATOM 645 SG CYS A 41 -4.748 23.974 -5.993 1.00 0.00 S ATOM 0 H CYS A 41 -2.186 25.468 -5.325 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.580 25.513 -3.612 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -2.775 23.331 -4.743 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -4.234 23.052 -3.813 1.00 0.00 H new ATOM 0 HG CYS A 41 -5.828 23.256 -5.905 1.00 0.00 H new ATOM 651 N PHE A 42 -3.571 25.170 -1.367 1.00 0.00 N ATOM 652 CA PHE A 42 -3.008 25.129 -0.007 1.00 0.00 C ATOM 653 C PHE A 42 -3.602 24.032 0.881 1.00 0.00 C ATOM 654 O PHE A 42 -4.767 23.658 0.744 1.00 0.00 O ATOM 655 CB PHE A 42 -3.085 26.514 0.666 1.00 0.00 C ATOM 656 CG PHE A 42 -4.424 26.897 1.274 1.00 0.00 C ATOM 657 CD1 PHE A 42 -4.712 26.580 2.617 1.00 0.00 C ATOM 658 CD2 PHE A 42 -5.364 27.612 0.511 1.00 0.00 C ATOM 659 CE1 PHE A 42 -5.938 26.968 3.188 1.00 0.00 C ATOM 660 CE2 PHE A 42 -6.576 28.030 1.088 1.00 0.00 C ATOM 661 CZ PHE A 42 -6.867 27.698 2.425 1.00 0.00 C ATOM 0 H PHE A 42 -4.583 25.296 -1.379 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.958 24.861 -0.126 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.329 26.555 1.451 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -2.817 27.269 -0.074 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.990 26.038 3.209 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.154 27.841 -0.523 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -6.165 26.706 4.211 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -7.282 28.604 0.507 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.805 28.004 2.865 1.00 0.00 H new ATOM 671 N LYS A 43 -2.780 23.534 1.810 1.00 0.00 N ATOM 672 CA LYS A 43 -3.100 22.442 2.742 1.00 0.00 C ATOM 673 C LYS A 43 -2.445 22.659 4.115 1.00 0.00 C ATOM 674 O LYS A 43 -1.325 23.162 4.171 1.00 0.00 O ATOM 675 CB LYS A 43 -2.620 21.132 2.084 1.00 0.00 C ATOM 676 CG LYS A 43 -3.338 19.878 2.597 1.00 0.00 C ATOM 677 CD LYS A 43 -2.641 18.590 2.124 1.00 0.00 C ATOM 678 CE LYS A 43 -2.603 18.429 0.592 1.00 0.00 C ATOM 679 NZ LYS A 43 -1.615 17.389 0.186 1.00 0.00 N ATOM 0 H LYS A 43 -1.834 23.894 1.941 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.173 22.403 2.929 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.763 21.205 1.006 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.549 21.022 2.257 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.369 19.896 3.686 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.371 19.882 2.249 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.620 18.579 2.506 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.153 17.731 2.558 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.593 18.156 0.227 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.344 19.381 0.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.761 17.143 -0.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.651 17.757 0.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.743 16.541 0.774 1.00 0.00 H new ATOM 693 N VAL A 44 -3.094 22.270 5.217 1.00 0.00 N ATOM 694 CA VAL A 44 -2.568 22.443 6.591 1.00 0.00 C ATOM 695 C VAL A 44 -2.356 21.099 7.298 1.00 0.00 C ATOM 696 O VAL A 44 -3.231 20.234 7.283 1.00 0.00 O ATOM 697 CB VAL A 44 -3.466 23.383 7.431 1.00 0.00 C ATOM 698 CG1 VAL A 44 -2.730 23.808 8.705 1.00 0.00 C ATOM 699 CG2 VAL A 44 -3.819 24.665 6.661 1.00 0.00 C ATOM 0 H VAL A 44 -4.009 21.821 5.189 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.591 22.916 6.497 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.376 22.830 7.663 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.369 24.469 9.291 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.484 22.925 9.295 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.813 24.333 8.437 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.450 25.300 7.282 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.904 25.200 6.407 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.353 24.405 5.747 1.00 0.00 H new ATOM 709 N LYS A 45 -1.206 20.944 7.969 1.00 0.00 N ATOM 710 CA LYS A 45 -0.872 19.815 8.852 1.00 0.00 C ATOM 711 C LYS A 45 -0.534 20.283 10.271 1.00 0.00 C ATOM 712 O LYS A 45 -0.015 21.379 10.472 1.00 0.00 O ATOM 713 CB LYS A 45 0.272 18.971 8.255 1.00 0.00 C ATOM 714 CG LYS A 45 -0.125 18.288 6.935 1.00 0.00 C ATOM 715 CD LYS A 45 0.733 17.039 6.674 1.00 0.00 C ATOM 716 CE LYS A 45 0.315 16.361 5.359 1.00 0.00 C ATOM 717 NZ LYS A 45 1.094 15.111 5.115 1.00 0.00 N ATOM 0 H LYS A 45 -0.452 21.629 7.910 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.757 19.183 8.925 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.139 19.610 8.083 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.573 18.212 8.977 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.178 18.008 6.970 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.009 18.991 6.110 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.786 17.318 6.627 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.625 16.338 7.501 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.749 16.127 5.392 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.464 17.052 4.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.787 14.680 4.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.107 15.339 5.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.931 14.443 5.895 1.00 0.00 H new ATOM 731 N THR A 46 -0.800 19.420 11.248 1.00 0.00 N ATOM 732 CA THR A 46 -0.531 19.649 12.682 1.00 0.00 C ATOM 733 C THR A 46 0.248 18.478 13.281 1.00 0.00 C ATOM 734 O THR A 46 0.257 17.384 12.727 1.00 0.00 O ATOM 735 CB THR A 46 -1.832 19.918 13.459 1.00 0.00 C ATOM 736 OG1 THR A 46 -1.515 20.150 14.812 1.00 0.00 O ATOM 737 CG2 THR A 46 -2.814 18.747 13.445 1.00 0.00 C ATOM 0 H THR A 46 -1.223 18.509 11.067 1.00 0.00 H new ATOM 0 HA THR A 46 0.088 20.542 12.771 1.00 0.00 H new ATOM 0 HB THR A 46 -2.302 20.771 12.969 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.816 21.046 15.070 1.00 0.00 H new ATOM 0 HG21 THR A 46 -3.705 19.013 14.013 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.094 18.519 12.416 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.344 17.873 13.895 1.00 0.00 H new ATOM 745 N THR A 47 0.888 18.691 14.426 1.00 0.00 N ATOM 746 CA THR A 47 1.568 17.636 15.202 1.00 0.00 C ATOM 747 C THR A 47 0.650 16.909 16.193 1.00 0.00 C ATOM 748 O THR A 47 1.070 15.927 16.806 1.00 0.00 O ATOM 749 CB THR A 47 2.802 18.190 15.919 1.00 0.00 C ATOM 750 OG1 THR A 47 2.500 19.414 16.550 1.00 0.00 O ATOM 751 CG2 THR A 47 3.936 18.465 14.936 1.00 0.00 C ATOM 0 H THR A 47 0.955 19.614 14.856 1.00 0.00 H new ATOM 0 HA THR A 47 1.882 16.889 14.473 1.00 0.00 H new ATOM 0 HB THR A 47 3.105 17.438 16.647 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.424 20.120 15.875 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.798 18.858 15.475 1.00 0.00 H new ATOM 0 HG22 THR A 47 4.214 17.539 14.433 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.607 19.195 14.197 1.00 0.00 H new ATOM 759 N ALA A 48 -0.603 17.359 16.350 1.00 0.00 N ATOM 760 CA ALA A 48 -1.597 16.701 17.211 1.00 0.00 C ATOM 761 C ALA A 48 -3.045 16.911 16.710 1.00 0.00 C ATOM 762 O ALA A 48 -3.705 17.868 17.118 1.00 0.00 O ATOM 763 CB ALA A 48 -1.394 17.206 18.652 1.00 0.00 C ATOM 0 H ALA A 48 -0.957 18.193 15.882 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.445 15.622 17.180 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.122 16.731 19.310 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -0.386 16.958 18.986 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.530 18.287 18.681 1.00 0.00 H new ATOM 769 N PRO A 49 -3.612 16.008 15.880 1.00 0.00 N ATOM 770 CA PRO A 49 -4.961 16.182 15.312 1.00 0.00 C ATOM 771 C PRO A 49 -6.079 16.050 16.368 1.00 0.00 C ATOM 772 O PRO A 49 -7.188 16.542 16.178 1.00 0.00 O ATOM 773 CB PRO A 49 -5.050 15.125 14.205 1.00 0.00 C ATOM 774 CG PRO A 49 -4.151 13.997 14.709 1.00 0.00 C ATOM 775 CD PRO A 49 -3.037 14.737 15.448 1.00 0.00 C ATOM 0 HA PRO A 49 -5.111 17.188 14.920 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.075 14.785 14.058 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.703 15.516 13.249 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.690 13.318 15.370 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.759 13.398 13.887 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.685 14.158 16.302 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.178 14.899 14.797 1.00 0.00 H new ATOM 783 N ARG A 50 -5.750 15.453 17.527 1.00 0.00 N ATOM 784 CA ARG A 50 -6.572 15.390 18.756 1.00 0.00 C ATOM 785 C ARG A 50 -6.383 16.571 19.728 1.00 0.00 C ATOM 786 O ARG A 50 -6.911 16.544 20.838 1.00 0.00 O ATOM 787 CB ARG A 50 -6.467 13.974 19.376 1.00 0.00 C ATOM 788 CG ARG A 50 -5.047 13.402 19.576 1.00 0.00 C ATOM 789 CD ARG A 50 -4.224 14.152 20.627 1.00 0.00 C ATOM 790 NE ARG A 50 -2.897 13.522 20.800 1.00 0.00 N ATOM 791 CZ ARG A 50 -2.052 13.680 21.806 1.00 0.00 C ATOM 792 NH1 ARG A 50 -2.310 14.456 22.821 1.00 0.00 N ATOM 793 NH2 ARG A 50 -0.911 13.054 21.807 1.00 0.00 N ATOM 0 H ARG A 50 -4.856 14.975 17.641 1.00 0.00 H new ATOM 0 HA ARG A 50 -7.615 15.537 18.476 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -6.966 13.990 20.345 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -7.024 13.284 18.742 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -5.124 12.355 19.868 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -4.516 13.430 18.624 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -4.102 15.192 20.326 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -4.757 14.156 21.578 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.598 12.891 20.056 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.191 14.969 22.860 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.631 14.550 23.577 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.666 12.439 21.031 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.262 13.178 22.584 1.00 0.00 H new ATOM 807 N ARG A 51 -5.631 17.610 19.334 1.00 0.00 N ATOM 808 CA ARG A 51 -5.521 18.906 20.051 1.00 0.00 C ATOM 809 C ARG A 51 -5.672 20.144 19.161 1.00 0.00 C ATOM 810 O ARG A 51 -6.035 21.188 19.686 1.00 0.00 O ATOM 811 CB ARG A 51 -4.205 18.979 20.858 1.00 0.00 C ATOM 812 CG ARG A 51 -4.161 18.052 22.085 1.00 0.00 C ATOM 813 CD ARG A 51 -5.196 18.428 23.157 1.00 0.00 C ATOM 814 NE ARG A 51 -5.144 17.511 24.312 1.00 0.00 N ATOM 815 CZ ARG A 51 -5.887 16.438 24.528 1.00 0.00 C ATOM 816 NH1 ARG A 51 -6.720 15.962 23.643 1.00 0.00 N ATOM 817 NH2 ARG A 51 -5.792 15.798 25.658 1.00 0.00 N ATOM 0 H ARG A 51 -5.065 17.579 18.486 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.373 18.928 20.731 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.374 18.729 20.199 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.052 20.006 21.188 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.335 17.025 21.764 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.163 18.085 22.523 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.016 19.449 23.494 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.195 18.408 22.721 1.00 0.00 H new ATOM 0 HE ARG A 51 -4.453 17.731 25.029 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -6.819 16.421 22.738 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -7.271 15.131 23.857 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -5.145 16.124 26.376 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -6.365 14.971 25.825 1.00 0.00 H new ATOM 831 N TYR A 52 -5.491 20.040 17.844 1.00 0.00 N ATOM 832 CA TYR A 52 -5.684 21.156 16.908 1.00 0.00 C ATOM 833 C TYR A 52 -6.645 20.795 15.773 1.00 0.00 C ATOM 834 O TYR A 52 -6.467 19.789 15.088 1.00 0.00 O ATOM 835 CB TYR A 52 -4.337 21.595 16.334 1.00 0.00 C ATOM 836 CG TYR A 52 -3.318 21.989 17.379 1.00 0.00 C ATOM 837 CD1 TYR A 52 -3.264 23.312 17.853 1.00 0.00 C ATOM 838 CD2 TYR A 52 -2.438 21.019 17.889 1.00 0.00 C ATOM 839 CE1 TYR A 52 -2.293 23.673 18.804 1.00 0.00 C ATOM 840 CE2 TYR A 52 -1.519 21.358 18.896 1.00 0.00 C ATOM 841 CZ TYR A 52 -1.447 22.689 19.355 1.00 0.00 C ATOM 842 OH TYR A 52 -0.559 23.029 20.318 1.00 0.00 O ATOM 0 H TYR A 52 -5.204 19.173 17.390 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.131 21.979 17.466 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.929 20.783 15.732 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.498 22.439 15.663 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -3.965 24.048 17.488 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.468 20.010 17.506 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -2.195 24.704 19.112 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.871 20.603 19.316 1.00 0.00 H new ATOM 0 HH TYR A 52 -0.245 22.220 20.773 1.00 0.00 H new ATOM 852 N CYS A 53 -7.638 21.660 15.553 1.00 0.00 N ATOM 853 CA CYS A 53 -8.608 21.565 14.460 1.00 0.00 C ATOM 854 C CYS A 53 -8.446 22.770 13.514 1.00 0.00 C ATOM 855 O CYS A 53 -8.266 23.892 13.978 1.00 0.00 O ATOM 856 CB CYS A 53 -10.011 21.451 15.081 1.00 0.00 C ATOM 857 SG CYS A 53 -10.117 19.934 16.083 1.00 0.00 S ATOM 0 H CYS A 53 -7.794 22.472 16.150 1.00 0.00 H new ATOM 0 HA CYS A 53 -8.443 20.680 13.846 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -10.217 22.323 15.701 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -10.767 21.433 14.296 1.00 0.00 H new ATOM 0 HG CYS A 53 -11.303 19.843 16.608 1.00 0.00 H new ATOM 863 N VAL A 54 -8.491 22.557 12.197 1.00 0.00 N ATOM 864 CA VAL A 54 -8.272 23.579 11.149 1.00 0.00 C ATOM 865 C VAL A 54 -9.534 23.640 10.294 1.00 0.00 C ATOM 866 O VAL A 54 -9.705 22.787 9.429 1.00 0.00 O ATOM 867 CB VAL A 54 -7.042 23.237 10.294 1.00 0.00 C ATOM 868 CG1 VAL A 54 -6.765 24.394 9.323 1.00 0.00 C ATOM 869 CG2 VAL A 54 -5.782 23.084 11.152 1.00 0.00 C ATOM 0 H VAL A 54 -8.688 21.635 11.807 1.00 0.00 H new ATOM 0 HA VAL A 54 -8.078 24.550 11.604 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.258 22.302 9.777 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.893 24.157 8.714 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.630 24.542 8.677 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.575 25.306 9.889 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.933 22.842 10.512 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.585 24.018 11.679 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.930 22.283 11.876 1.00 0.00 H new ATOM 879 N ARG A 55 -10.407 24.640 10.478 1.00 0.00 N ATOM 880 CA ARG A 55 -11.757 24.629 9.862 1.00 0.00 C ATOM 881 C ARG A 55 -11.838 24.352 8.358 1.00 0.00 C ATOM 882 O ARG A 55 -12.523 23.404 7.972 1.00 0.00 O ATOM 883 CB ARG A 55 -12.593 25.845 10.287 1.00 0.00 C ATOM 884 CG ARG A 55 -14.098 25.538 10.219 1.00 0.00 C ATOM 885 CD ARG A 55 -14.919 26.653 10.879 1.00 0.00 C ATOM 886 NE ARG A 55 -16.364 26.347 10.841 1.00 0.00 N ATOM 887 CZ ARG A 55 -17.332 27.026 11.433 1.00 0.00 C ATOM 888 NH1 ARG A 55 -17.097 28.096 12.139 1.00 0.00 N ATOM 889 NH2 ARG A 55 -18.570 26.637 11.322 1.00 0.00 N ATOM 0 H ARG A 55 -10.212 25.466 11.044 1.00 0.00 H new ATOM 0 HA ARG A 55 -12.210 23.732 10.283 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -12.325 26.137 11.302 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.363 26.692 9.640 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -14.403 25.425 9.179 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -14.302 24.589 10.716 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.599 26.781 11.913 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.731 27.597 10.368 1.00 0.00 H new ATOM 0 HE ARG A 55 -16.644 25.527 10.302 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -16.141 28.435 12.249 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -17.869 28.595 12.582 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -18.796 25.805 10.777 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -19.313 27.164 11.781 1.00 0.00 H new ATOM 903 N PRO A 56 -11.131 25.113 7.510 1.00 0.00 N ATOM 904 CA PRO A 56 -11.018 24.786 6.093 1.00 0.00 C ATOM 905 C PRO A 56 -10.218 23.502 5.799 1.00 0.00 C ATOM 906 O PRO A 56 -10.543 22.763 4.874 1.00 0.00 O ATOM 907 CB PRO A 56 -10.270 25.971 5.467 1.00 0.00 C ATOM 908 CG PRO A 56 -9.555 26.590 6.669 1.00 0.00 C ATOM 909 CD PRO A 56 -10.553 26.415 7.781 1.00 0.00 C ATOM 0 HA PRO A 56 -12.016 24.611 5.692 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.566 25.646 4.700 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.953 26.677 4.994 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -8.615 26.082 6.886 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -9.318 27.640 6.501 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -10.074 26.447 8.760 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.309 27.200 7.770 1.00 0.00 H new ATOM 917 N ASN A 57 -9.129 23.289 6.555 1.00 0.00 N ATOM 918 CA ASN A 57 -8.049 22.293 6.397 1.00 0.00 C ATOM 919 C ASN A 57 -7.212 22.466 5.107 1.00 0.00 C ATOM 920 O ASN A 57 -6.042 22.083 5.066 1.00 0.00 O ATOM 921 CB ASN A 57 -8.594 20.869 6.660 1.00 0.00 C ATOM 922 CG ASN A 57 -8.202 19.838 5.605 1.00 0.00 C ATOM 923 OD1 ASN A 57 -8.552 19.937 4.436 1.00 0.00 O ATOM 924 ND2 ASN A 57 -7.457 18.826 5.978 1.00 0.00 N ATOM 0 H ASN A 57 -8.963 23.868 7.378 1.00 0.00 H new ATOM 0 HA ASN A 57 -7.300 22.479 7.166 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -8.236 20.530 7.632 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -9.681 20.915 6.719 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.171 18.124 5.295 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.163 18.740 6.951 1.00 0.00 H new ATOM 931 N SER A 58 -7.798 23.066 4.075 1.00 0.00 N ATOM 932 CA SER A 58 -7.235 23.227 2.731 1.00 0.00 C ATOM 933 C SER A 58 -8.093 24.175 1.875 1.00 0.00 C ATOM 934 O SER A 58 -9.215 24.530 2.251 1.00 0.00 O ATOM 935 CB SER A 58 -7.134 21.859 2.025 1.00 0.00 C ATOM 936 OG SER A 58 -8.374 21.174 2.003 1.00 0.00 O ATOM 0 H SER A 58 -8.728 23.476 4.154 1.00 0.00 H new ATOM 0 HA SER A 58 -6.240 23.659 2.841 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.783 22.005 1.003 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.391 21.244 2.533 1.00 0.00 H new ATOM 0 HG SER A 58 -8.562 20.810 2.893 1.00 0.00 H new ATOM 942 N GLY A 59 -7.572 24.581 0.717 1.00 0.00 N ATOM 943 CA GLY A 59 -8.282 25.410 -0.260 1.00 0.00 C ATOM 944 C GLY A 59 -7.391 25.827 -1.426 1.00 0.00 C ATOM 945 O GLY A 59 -6.342 25.231 -1.660 1.00 0.00 O ATOM 0 H GLY A 59 -6.625 24.338 0.425 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.142 24.860 -0.642 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.668 26.301 0.236 1.00 0.00 H new ATOM 949 N ILE A 60 -7.808 26.842 -2.181 1.00 0.00 N ATOM 950 CA ILE A 60 -7.043 27.420 -3.299 1.00 0.00 C ATOM 951 C ILE A 60 -7.079 28.957 -3.200 1.00 0.00 C ATOM 952 O ILE A 60 -8.141 29.520 -2.927 1.00 0.00 O ATOM 953 CB ILE A 60 -7.594 26.899 -4.652 1.00 0.00 C ATOM 954 CG1 ILE A 60 -7.831 25.364 -4.661 1.00 0.00 C ATOM 955 CG2 ILE A 60 -6.687 27.339 -5.818 1.00 0.00 C ATOM 956 CD1 ILE A 60 -8.330 24.768 -5.987 1.00 0.00 C ATOM 0 H ILE A 60 -8.707 27.300 -2.034 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.000 27.107 -3.242 1.00 0.00 H new ATOM 0 HB ILE A 60 -8.575 27.354 -4.788 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.897 24.870 -4.392 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -8.554 25.123 -3.882 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -7.093 26.962 -6.757 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.642 28.427 -5.853 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -5.684 26.939 -5.670 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -8.460 23.692 -5.876 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -9.284 25.223 -6.254 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -7.601 24.966 -6.772 1.00 0.00 H new ATOM 968 N ILE A 61 -5.946 29.640 -3.426 1.00 0.00 N ATOM 969 CA ILE A 61 -5.849 31.112 -3.400 1.00 0.00 C ATOM 970 C ILE A 61 -5.574 31.675 -4.800 1.00 0.00 C ATOM 971 O ILE A 61 -4.659 31.241 -5.502 1.00 0.00 O ATOM 972 CB ILE A 61 -4.826 31.624 -2.357 1.00 0.00 C ATOM 973 CG1 ILE A 61 -5.018 30.895 -1.010 1.00 0.00 C ATOM 974 CG2 ILE A 61 -4.975 33.151 -2.207 1.00 0.00 C ATOM 975 CD1 ILE A 61 -4.356 31.552 0.204 1.00 0.00 C ATOM 0 H ILE A 61 -5.059 29.182 -3.635 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.820 31.488 -3.078 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.813 31.409 -2.697 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.087 30.808 -0.815 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.629 29.882 -1.108 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.256 33.516 -1.473 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.788 33.631 -3.168 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.986 33.387 -1.874 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.556 30.956 1.094 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.280 31.614 0.042 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.761 32.555 0.341 1.00 0.00 H new ATOM 987 N ASP A 62 -6.355 32.688 -5.173 1.00 0.00 N ATOM 988 CA ASP A 62 -6.272 33.419 -6.445 1.00 0.00 C ATOM 989 C ASP A 62 -5.139 34.479 -6.413 1.00 0.00 C ATOM 990 O ASP A 62 -4.840 34.999 -5.332 1.00 0.00 O ATOM 991 CB ASP A 62 -7.670 34.022 -6.691 1.00 0.00 C ATOM 992 CG ASP A 62 -7.954 34.371 -8.158 1.00 0.00 C ATOM 993 OD1 ASP A 62 -8.089 33.430 -8.978 1.00 0.00 O ATOM 994 OD2 ASP A 62 -8.055 35.574 -8.491 1.00 0.00 O ATOM 0 H ASP A 62 -7.099 33.041 -4.571 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.007 32.762 -7.273 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.424 33.316 -6.344 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.776 34.923 -6.087 1.00 0.00 H new ATOM 999 N PRO A 63 -4.467 34.819 -7.533 1.00 0.00 N ATOM 1000 CA PRO A 63 -3.390 35.817 -7.550 1.00 0.00 C ATOM 1001 C PRO A 63 -3.797 37.168 -6.939 1.00 0.00 C ATOM 1002 O PRO A 63 -4.841 37.734 -7.268 1.00 0.00 O ATOM 1003 CB PRO A 63 -2.976 35.959 -9.015 1.00 0.00 C ATOM 1004 CG PRO A 63 -4.150 35.395 -9.808 1.00 0.00 C ATOM 1005 CD PRO A 63 -4.647 34.296 -8.877 1.00 0.00 C ATOM 0 HA PRO A 63 -2.562 35.485 -6.924 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -2.788 37.001 -9.274 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -2.058 35.409 -9.222 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.915 36.148 -9.999 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.840 35.003 -10.777 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.694 34.061 -9.070 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -4.082 33.375 -9.019 1.00 0.00 H new ATOM 1013 N GLY A 64 -2.962 37.680 -6.028 1.00 0.00 N ATOM 1014 CA GLY A 64 -3.217 38.895 -5.241 1.00 0.00 C ATOM 1015 C GLY A 64 -4.236 38.750 -4.108 1.00 0.00 C ATOM 1016 O GLY A 64 -4.406 39.700 -3.338 1.00 0.00 O ATOM 0 H GLY A 64 -2.064 37.249 -5.810 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.273 39.234 -4.815 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.561 39.678 -5.917 1.00 0.00 H new ATOM 1020 N SER A 65 -4.889 37.592 -3.968 1.00 0.00 N ATOM 1021 CA SER A 65 -5.968 37.372 -2.999 1.00 0.00 C ATOM 1022 C SER A 65 -5.481 36.785 -1.673 1.00 0.00 C ATOM 1023 O SER A 65 -4.348 36.306 -1.567 1.00 0.00 O ATOM 1024 CB SER A 65 -7.054 36.473 -3.601 1.00 0.00 C ATOM 1025 OG SER A 65 -8.292 36.717 -2.957 1.00 0.00 O ATOM 0 H SER A 65 -4.680 36.769 -4.533 1.00 0.00 H new ATOM 0 HA SER A 65 -6.382 38.355 -2.775 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.146 36.665 -4.670 1.00 0.00 H new ATOM 0 HB3 SER A 65 -6.775 35.425 -3.488 1.00 0.00 H new ATOM 0 HG SER A 65 -8.983 36.141 -3.347 1.00 0.00 H new ATOM 1031 N THR A 66 -6.364 36.797 -0.672 1.00 0.00 N ATOM 1032 CA THR A 66 -6.076 36.396 0.712 1.00 0.00 C ATOM 1033 C THR A 66 -7.180 35.497 1.282 1.00 0.00 C ATOM 1034 O THR A 66 -8.368 35.782 1.111 1.00 0.00 O ATOM 1035 CB THR A 66 -5.906 37.627 1.624 1.00 0.00 C ATOM 1036 OG1 THR A 66 -5.099 38.616 1.023 1.00 0.00 O ATOM 1037 CG2 THR A 66 -5.242 37.289 2.960 1.00 0.00 C ATOM 0 H THR A 66 -7.331 37.095 -0.804 1.00 0.00 H new ATOM 0 HA THR A 66 -5.143 35.834 0.687 1.00 0.00 H new ATOM 0 HB THR A 66 -6.921 37.988 1.788 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.015 39.382 1.629 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.149 38.195 3.559 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.851 36.561 3.495 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.252 36.871 2.779 1.00 0.00 H new ATOM 1045 N VAL A 67 -6.791 34.443 2.007 1.00 0.00 N ATOM 1046 CA VAL A 67 -7.688 33.561 2.788 1.00 0.00 C ATOM 1047 C VAL A 67 -7.287 33.555 4.269 1.00 0.00 C ATOM 1048 O VAL A 67 -6.106 33.487 4.596 1.00 0.00 O ATOM 1049 CB VAL A 67 -7.712 32.127 2.211 1.00 0.00 C ATOM 1050 CG1 VAL A 67 -8.635 31.185 3.001 1.00 0.00 C ATOM 1051 CG2 VAL A 67 -8.199 32.125 0.755 1.00 0.00 C ATOM 0 H VAL A 67 -5.812 34.165 2.074 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.699 33.960 2.711 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.685 31.770 2.281 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.613 30.192 2.551 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.293 31.123 4.034 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.654 31.571 2.978 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.206 31.103 0.375 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.207 32.536 0.708 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.530 32.734 0.147 1.00 0.00 H new ATOM 1061 N THR A 68 -8.268 33.587 5.174 1.00 0.00 N ATOM 1062 CA THR A 68 -8.081 33.473 6.625 1.00 0.00 C ATOM 1063 C THR A 68 -8.474 32.066 7.076 1.00 0.00 C ATOM 1064 O THR A 68 -9.602 31.618 6.869 1.00 0.00 O ATOM 1065 CB THR A 68 -8.904 34.538 7.366 1.00 0.00 C ATOM 1066 OG1 THR A 68 -8.611 35.825 6.867 1.00 0.00 O ATOM 1067 CG2 THR A 68 -8.571 34.561 8.853 1.00 0.00 C ATOM 0 H THR A 68 -9.247 33.697 4.910 1.00 0.00 H new ATOM 0 HA THR A 68 -7.032 33.643 6.866 1.00 0.00 H new ATOM 0 HB THR A 68 -9.953 34.283 7.214 1.00 0.00 H new ATOM 0 HG1 THR A 68 -9.144 36.492 7.348 1.00 0.00 H new ATOM 0 HG21 THR A 68 -9.170 35.325 9.348 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.791 33.587 9.290 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.513 34.787 8.985 1.00 0.00 H new ATOM 1075 N VAL A 69 -7.527 31.376 7.704 1.00 0.00 N ATOM 1076 CA VAL A 69 -7.642 30.002 8.216 1.00 0.00 C ATOM 1077 C VAL A 69 -7.784 30.037 9.739 1.00 0.00 C ATOM 1078 O VAL A 69 -6.905 30.546 10.428 1.00 0.00 O ATOM 1079 CB VAL A 69 -6.409 29.183 7.776 1.00 0.00 C ATOM 1080 CG1 VAL A 69 -6.353 27.794 8.419 1.00 0.00 C ATOM 1081 CG2 VAL A 69 -6.398 28.994 6.253 1.00 0.00 C ATOM 0 H VAL A 69 -6.606 31.776 7.882 1.00 0.00 H new ATOM 0 HA VAL A 69 -8.529 29.519 7.806 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.543 29.756 8.106 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.464 27.267 8.071 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.312 27.896 9.503 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.242 27.228 8.141 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.521 28.414 5.965 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.300 28.465 5.946 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.365 29.968 5.766 1.00 0.00 H new ATOM 1091 N SER A 70 -8.873 29.484 10.274 1.00 0.00 N ATOM 1092 CA SER A 70 -9.126 29.408 11.723 1.00 0.00 C ATOM 1093 C SER A 70 -8.577 28.107 12.310 1.00 0.00 C ATOM 1094 O SER A 70 -8.957 27.015 11.882 1.00 0.00 O ATOM 1095 CB SER A 70 -10.625 29.546 12.018 1.00 0.00 C ATOM 1096 OG SER A 70 -11.087 30.810 11.569 1.00 0.00 O ATOM 0 H SER A 70 -9.616 29.070 9.711 1.00 0.00 H new ATOM 0 HA SER A 70 -8.604 30.238 12.200 1.00 0.00 H new ATOM 0 HB2 SER A 70 -11.178 28.749 11.521 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.806 29.441 13.088 1.00 0.00 H new ATOM 0 HG SER A 70 -12.045 30.894 11.757 1.00 0.00 H new ATOM 1102 N VAL A 71 -7.715 28.235 13.322 1.00 0.00 N ATOM 1103 CA VAL A 71 -7.201 27.130 14.138 1.00 0.00 C ATOM 1104 C VAL A 71 -7.948 27.138 15.465 1.00 0.00 C ATOM 1105 O VAL A 71 -8.021 28.166 16.136 1.00 0.00 O ATOM 1106 CB VAL A 71 -5.678 27.232 14.362 1.00 0.00 C ATOM 1107 CG1 VAL A 71 -5.174 26.053 15.207 1.00 0.00 C ATOM 1108 CG2 VAL A 71 -4.919 27.229 13.029 1.00 0.00 C ATOM 0 H VAL A 71 -7.343 29.141 13.606 1.00 0.00 H new ATOM 0 HA VAL A 71 -7.368 26.189 13.613 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.494 28.171 14.883 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.098 26.144 15.353 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -5.674 26.060 16.176 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -5.392 25.117 14.693 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.848 27.302 13.220 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.130 26.304 12.492 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -5.239 28.079 12.426 1.00 0.00 H new ATOM 1118 N MET A 72 -8.494 25.984 15.836 1.00 0.00 N ATOM 1119 CA MET A 72 -9.216 25.740 17.082 1.00 0.00 C ATOM 1120 C MET A 72 -8.393 24.768 17.932 1.00 0.00 C ATOM 1121 O MET A 72 -8.391 23.556 17.696 1.00 0.00 O ATOM 1122 CB MET A 72 -10.618 25.205 16.744 1.00 0.00 C ATOM 1123 CG MET A 72 -11.498 26.272 16.079 1.00 0.00 C ATOM 1124 SD MET A 72 -13.137 25.693 15.544 1.00 0.00 S ATOM 1125 CE MET A 72 -12.686 24.565 14.190 1.00 0.00 C ATOM 0 H MET A 72 -8.443 25.152 15.248 1.00 0.00 H new ATOM 0 HA MET A 72 -9.351 26.653 17.662 1.00 0.00 H new ATOM 0 HB2 MET A 72 -10.527 24.345 16.080 1.00 0.00 H new ATOM 0 HB3 MET A 72 -11.101 24.854 17.656 1.00 0.00 H new ATOM 0 HG2 MET A 72 -11.631 27.098 16.777 1.00 0.00 H new ATOM 0 HG3 MET A 72 -10.969 26.669 15.213 1.00 0.00 H new ATOM 0 HE1 MET A 72 -13.584 24.270 13.648 1.00 0.00 H new ATOM 0 HE2 MET A 72 -12.001 25.070 13.509 1.00 0.00 H new ATOM 0 HE3 MET A 72 -12.202 23.679 14.601 1.00 0.00 H new ATOM 1135 N LEU A 73 -7.696 25.304 18.929 1.00 0.00 N ATOM 1136 CA LEU A 73 -6.789 24.581 19.820 1.00 0.00 C ATOM 1137 C LEU A 73 -7.583 24.179 21.062 1.00 0.00 C ATOM 1138 O LEU A 73 -8.187 25.007 21.741 1.00 0.00 O ATOM 1139 CB LEU A 73 -5.567 25.472 20.083 1.00 0.00 C ATOM 1140 CG LEU A 73 -4.541 25.051 21.156 1.00 0.00 C ATOM 1141 CD1 LEU A 73 -4.810 25.725 22.499 1.00 0.00 C ATOM 1142 CD2 LEU A 73 -4.353 23.553 21.397 1.00 0.00 C ATOM 0 H LEU A 73 -7.749 26.298 19.149 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.398 23.657 19.393 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.030 25.578 19.140 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -5.935 26.462 20.353 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.608 25.396 20.711 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.064 25.400 23.225 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.754 26.807 22.381 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.804 25.449 22.852 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.605 23.401 22.175 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.299 23.114 21.713 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.021 23.075 20.475 1.00 0.00 H new ATOM 1154 N GLN A 74 -7.642 22.872 21.295 1.00 0.00 N ATOM 1155 CA GLN A 74 -8.516 22.251 22.291 1.00 0.00 C ATOM 1156 C GLN A 74 -8.004 22.472 23.734 1.00 0.00 C ATOM 1157 O GLN A 74 -6.790 22.560 23.941 1.00 0.00 O ATOM 1158 CB GLN A 74 -8.703 20.756 21.961 1.00 0.00 C ATOM 1159 CG GLN A 74 -9.244 20.467 20.544 1.00 0.00 C ATOM 1160 CD GLN A 74 -10.547 21.197 20.222 1.00 0.00 C ATOM 1161 OE1 GLN A 74 -11.601 20.909 20.773 1.00 0.00 O ATOM 1162 NE2 GLN A 74 -10.531 22.175 19.336 1.00 0.00 N ATOM 0 H GLN A 74 -7.071 22.197 20.786 1.00 0.00 H new ATOM 0 HA GLN A 74 -9.491 22.737 22.245 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -7.745 20.250 22.079 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.385 20.320 22.691 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -8.488 20.751 19.812 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -9.403 19.394 20.438 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -9.660 22.426 18.869 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -11.390 22.680 19.118 1.00 0.00 H new ATOM 1171 N PRO A 75 -8.900 22.557 24.739 1.00 0.00 N ATOM 1172 CA PRO A 75 -8.514 22.837 26.123 1.00 0.00 C ATOM 1173 C PRO A 75 -7.562 21.788 26.719 1.00 0.00 C ATOM 1174 O PRO A 75 -7.674 20.592 26.425 1.00 0.00 O ATOM 1175 CB PRO A 75 -9.821 22.933 26.914 1.00 0.00 C ATOM 1176 CG PRO A 75 -10.876 22.256 26.044 1.00 0.00 C ATOM 1177 CD PRO A 75 -10.349 22.452 24.626 1.00 0.00 C ATOM 0 HA PRO A 75 -7.944 23.765 26.170 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -9.732 22.437 27.880 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -10.084 23.972 27.112 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -10.981 21.199 26.290 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.857 22.713 26.174 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -10.629 21.614 23.988 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -10.770 23.351 24.176 1.00 0.00 H new ATOM 1185 N PHE A 76 -6.640 22.235 27.581 1.00 0.00 N ATOM 1186 CA PHE A 76 -5.684 21.364 28.281 1.00 0.00 C ATOM 1187 C PHE A 76 -5.212 21.928 29.633 1.00 0.00 C ATOM 1188 O PHE A 76 -5.425 23.095 29.968 1.00 0.00 O ATOM 1189 CB PHE A 76 -4.483 21.035 27.371 1.00 0.00 C ATOM 1190 CG PHE A 76 -3.497 22.164 27.124 1.00 0.00 C ATOM 1191 CD1 PHE A 76 -3.712 23.082 26.078 1.00 0.00 C ATOM 1192 CD2 PHE A 76 -2.329 22.266 27.910 1.00 0.00 C ATOM 1193 CE1 PHE A 76 -2.767 24.091 25.822 1.00 0.00 C ATOM 1194 CE2 PHE A 76 -1.387 23.278 27.653 1.00 0.00 C ATOM 1195 CZ PHE A 76 -1.607 24.192 26.609 1.00 0.00 C ATOM 0 H PHE A 76 -6.535 23.222 27.815 1.00 0.00 H new ATOM 0 HA PHE A 76 -6.221 20.444 28.512 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.941 20.197 27.809 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -4.866 20.698 26.408 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -4.603 23.011 25.472 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.158 21.564 28.712 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -2.933 24.792 25.017 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.495 23.353 28.258 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.886 24.971 26.411 1.00 0.00 H new ATOM 1205 N ASP A 77 -4.548 21.075 30.418 1.00 0.00 N ATOM 1206 CA ASP A 77 -4.008 21.407 31.741 1.00 0.00 C ATOM 1207 C ASP A 77 -2.702 22.227 31.639 1.00 0.00 C ATOM 1208 O ASP A 77 -1.595 21.708 31.813 1.00 0.00 O ATOM 1209 CB ASP A 77 -3.851 20.113 32.557 1.00 0.00 C ATOM 1210 CG ASP A 77 -3.370 20.374 33.995 1.00 0.00 C ATOM 1211 OD1 ASP A 77 -3.858 21.336 34.638 1.00 0.00 O ATOM 1212 OD2 ASP A 77 -2.533 19.590 34.506 1.00 0.00 O ATOM 0 H ASP A 77 -4.366 20.109 30.145 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.707 22.056 32.269 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.806 19.589 32.587 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -3.142 19.455 32.055 1.00 0.00 H new ATOM 1217 N TYR A 78 -2.839 23.516 31.315 1.00 0.00 N ATOM 1218 CA TYR A 78 -1.728 24.465 31.192 1.00 0.00 C ATOM 1219 C TYR A 78 -0.960 24.635 32.518 1.00 0.00 C ATOM 1220 O TYR A 78 -1.557 24.805 33.588 1.00 0.00 O ATOM 1221 CB TYR A 78 -2.263 25.817 30.692 1.00 0.00 C ATOM 1222 CG TYR A 78 -1.245 26.948 30.711 1.00 0.00 C ATOM 1223 CD1 TYR A 78 -1.072 27.715 31.884 1.00 0.00 C ATOM 1224 CD2 TYR A 78 -0.458 27.221 29.576 1.00 0.00 C ATOM 1225 CE1 TYR A 78 -0.114 28.745 31.925 1.00 0.00 C ATOM 1226 CE2 TYR A 78 0.489 28.265 29.607 1.00 0.00 C ATOM 1227 CZ TYR A 78 0.660 29.031 30.779 1.00 0.00 C ATOM 1228 OH TYR A 78 1.566 30.047 30.801 1.00 0.00 O ATOM 0 H TYR A 78 -3.748 23.939 31.126 1.00 0.00 H new ATOM 0 HA TYR A 78 -1.018 24.065 30.469 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.630 25.693 29.673 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -3.117 26.104 31.306 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -1.678 27.510 32.754 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -0.580 26.630 28.680 1.00 0.00 H new ATOM 0 HE1 TYR A 78 0.029 29.315 32.831 1.00 0.00 H new ATOM 0 HE2 TYR A 78 1.085 28.479 28.732 1.00 0.00 H new ATOM 0 HH TYR A 78 2.013 30.106 29.931 1.00 0.00 H new ATOM 1238 N ASP A 79 0.374 24.621 32.435 1.00 0.00 N ATOM 1239 CA ASP A 79 1.290 24.975 33.524 1.00 0.00 C ATOM 1240 C ASP A 79 2.283 26.066 33.056 1.00 0.00 C ATOM 1241 O ASP A 79 2.877 25.901 31.984 1.00 0.00 O ATOM 1242 CB ASP A 79 2.029 23.718 34.006 1.00 0.00 C ATOM 1243 CG ASP A 79 2.647 23.926 35.390 1.00 0.00 C ATOM 1244 OD1 ASP A 79 3.625 24.701 35.485 1.00 0.00 O ATOM 1245 OD2 ASP A 79 2.152 23.333 36.380 1.00 0.00 O ATOM 0 H ASP A 79 0.862 24.354 31.580 1.00 0.00 H new ATOM 0 HA ASP A 79 0.720 25.381 34.360 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.336 22.877 34.039 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.811 23.459 33.293 1.00 0.00 H new ATOM 1250 N PRO A 80 2.523 27.150 33.824 1.00 0.00 N ATOM 1251 CA PRO A 80 3.463 28.206 33.433 1.00 0.00 C ATOM 1252 C PRO A 80 4.936 27.763 33.489 1.00 0.00 C ATOM 1253 O PRO A 80 5.803 28.448 32.938 1.00 0.00 O ATOM 1254 CB PRO A 80 3.179 29.364 34.395 1.00 0.00 C ATOM 1255 CG PRO A 80 2.690 28.660 35.659 1.00 0.00 C ATOM 1256 CD PRO A 80 1.915 27.465 35.105 1.00 0.00 C ATOM 0 HA PRO A 80 3.317 28.488 32.390 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.073 29.957 34.586 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.425 30.043 33.996 1.00 0.00 H new ATOM 0 HG2 PRO A 80 3.519 28.345 36.293 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.055 29.308 36.263 1.00 0.00 H new ATOM 0 HD2 PRO A 80 1.973 26.614 35.784 1.00 0.00 H new ATOM 0 HD3 PRO A 80 0.859 27.707 34.986 1.00 0.00 H new ATOM 1264 N ASN A 81 5.231 26.626 34.130 1.00 0.00 N ATOM 1265 CA ASN A 81 6.570 26.024 34.183 1.00 0.00 C ATOM 1266 C ASN A 81 6.819 25.037 33.024 1.00 0.00 C ATOM 1267 O ASN A 81 7.974 24.805 32.653 1.00 0.00 O ATOM 1268 CB ASN A 81 6.795 25.322 35.537 1.00 0.00 C ATOM 1269 CG ASN A 81 6.483 26.188 36.747 1.00 0.00 C ATOM 1270 OD1 ASN A 81 7.327 26.900 37.274 1.00 0.00 O ATOM 1271 ND2 ASN A 81 5.260 26.144 37.222 1.00 0.00 N ATOM 0 H ASN A 81 4.530 26.086 34.638 1.00 0.00 H new ATOM 0 HA ASN A 81 7.287 26.838 34.075 1.00 0.00 H new ATOM 0 HB2 ASN A 81 6.176 24.426 35.576 1.00 0.00 H new ATOM 0 HB3 ASN A 81 7.833 24.995 35.596 1.00 0.00 H new ATOM 0 HD21 ASN A 81 5.008 26.706 38.035 1.00 0.00 H new ATOM 0 HD22 ASN A 81 4.561 25.548 36.778 1.00 0.00 H new ATOM 1278 N GLU A 82 5.765 24.451 32.441 1.00 0.00 N ATOM 1279 CA GLU A 82 5.879 23.552 31.285 1.00 0.00 C ATOM 1280 C GLU A 82 6.168 24.308 29.972 1.00 0.00 C ATOM 1281 O GLU A 82 5.745 25.453 29.777 1.00 0.00 O ATOM 1282 CB GLU A 82 4.632 22.654 31.202 1.00 0.00 C ATOM 1283 CG GLU A 82 4.743 21.492 30.205 1.00 0.00 C ATOM 1284 CD GLU A 82 5.886 20.521 30.551 1.00 0.00 C ATOM 1285 OE1 GLU A 82 7.061 20.850 30.254 1.00 0.00 O ATOM 1286 OE2 GLU A 82 5.623 19.434 31.123 1.00 0.00 O ATOM 0 H GLU A 82 4.806 24.588 32.759 1.00 0.00 H new ATOM 0 HA GLU A 82 6.747 22.909 31.431 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.428 22.247 32.192 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.775 23.270 30.928 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.800 20.945 30.184 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.902 21.892 29.203 1.00 0.00 H new ATOM 1293 N LYS A 83 6.909 23.652 29.071 1.00 0.00 N ATOM 1294 CA LYS A 83 7.378 24.186 27.775 1.00 0.00 C ATOM 1295 C LYS A 83 6.719 23.494 26.570 1.00 0.00 C ATOM 1296 O LYS A 83 6.323 22.330 26.639 1.00 0.00 O ATOM 1297 CB LYS A 83 8.925 24.218 27.708 1.00 0.00 C ATOM 1298 CG LYS A 83 9.700 23.094 28.426 1.00 0.00 C ATOM 1299 CD LYS A 83 9.340 21.679 27.953 1.00 0.00 C ATOM 1300 CE LYS A 83 10.159 20.588 28.661 1.00 0.00 C ATOM 1301 NZ LYS A 83 9.799 20.464 30.101 1.00 0.00 N ATOM 0 H LYS A 83 7.215 22.691 29.227 1.00 0.00 H new ATOM 0 HA LYS A 83 7.046 25.222 27.709 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.215 24.206 26.657 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.258 25.171 28.120 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.768 23.253 28.279 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.512 23.166 29.497 1.00 0.00 H new ATOM 0 HD2 LYS A 83 8.279 21.501 28.128 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.502 21.608 26.877 1.00 0.00 H new ATOM 0 HE2 LYS A 83 9.996 19.632 28.163 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.221 20.817 28.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 10.023 19.504 30.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.340 21.158 30.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 8.782 20.643 30.221 1.00 0.00 H new ATOM 1315 N SER A 84 6.588 24.228 25.461 1.00 0.00 N ATOM 1316 CA SER A 84 5.878 23.771 24.256 1.00 0.00 C ATOM 1317 C SER A 84 6.684 22.764 23.422 1.00 0.00 C ATOM 1318 O SER A 84 7.908 22.873 23.308 1.00 0.00 O ATOM 1319 CB SER A 84 5.479 24.970 23.390 1.00 0.00 C ATOM 1320 OG SER A 84 4.694 24.536 22.297 1.00 0.00 O ATOM 0 H SER A 84 6.975 25.167 25.371 1.00 0.00 H new ATOM 0 HA SER A 84 4.986 23.248 24.602 1.00 0.00 H new ATOM 0 HB2 SER A 84 4.920 25.690 23.987 1.00 0.00 H new ATOM 0 HB3 SER A 84 6.371 25.481 23.028 1.00 0.00 H new ATOM 0 HG SER A 84 4.137 25.277 21.980 1.00 0.00 H new ATOM 1326 N LYS A 85 5.972 21.812 22.800 1.00 0.00 N ATOM 1327 CA LYS A 85 6.502 20.863 21.798 1.00 0.00 C ATOM 1328 C LYS A 85 5.868 21.019 20.416 1.00 0.00 C ATOM 1329 O LYS A 85 6.535 20.798 19.405 1.00 0.00 O ATOM 1330 CB LYS A 85 6.219 19.411 22.230 1.00 0.00 C ATOM 1331 CG LYS A 85 6.650 19.018 23.642 1.00 0.00 C ATOM 1332 CD LYS A 85 8.166 19.141 23.872 1.00 0.00 C ATOM 1333 CE LYS A 85 8.589 18.653 25.267 1.00 0.00 C ATOM 1334 NZ LYS A 85 8.497 17.171 25.406 1.00 0.00 N ATOM 0 H LYS A 85 4.978 21.674 22.984 1.00 0.00 H new ATOM 0 HA LYS A 85 7.568 21.084 21.738 1.00 0.00 H new ATOM 0 HB2 LYS A 85 5.148 19.232 22.139 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.715 18.744 21.525 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.128 19.648 24.362 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.342 17.990 23.835 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.694 18.564 23.113 1.00 0.00 H new ATOM 0 HD3 LYS A 85 8.466 20.181 23.748 1.00 0.00 H new ATOM 0 HE2 LYS A 85 9.613 18.970 25.464 1.00 0.00 H new ATOM 0 HE3 LYS A 85 7.958 19.125 26.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 8.809 16.892 26.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 7.512 16.869 25.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.106 16.717 24.695 1.00 0.00 H new ATOM 1348 N HIS A 86 4.577 21.364 20.375 1.00 0.00 N ATOM 1349 CA HIS A 86 3.776 21.319 19.154 1.00 0.00 C ATOM 1350 C HIS A 86 4.241 22.264 18.039 1.00 0.00 C ATOM 1351 O HIS A 86 4.593 23.423 18.271 1.00 0.00 O ATOM 1352 CB HIS A 86 2.297 21.584 19.461 1.00 0.00 C ATOM 1353 CG HIS A 86 1.650 20.574 20.372 1.00 0.00 C ATOM 1354 ND1 HIS A 86 0.949 20.890 21.537 1.00 0.00 N ATOM 1355 CD2 HIS A 86 1.582 19.229 20.160 1.00 0.00 C ATOM 1356 CE1 HIS A 86 0.494 19.721 22.020 1.00 0.00 C ATOM 1357 NE2 HIS A 86 0.858 18.709 21.212 1.00 0.00 N ATOM 0 H HIS A 86 4.059 21.683 21.193 1.00 0.00 H new ATOM 0 HA HIS A 86 3.915 20.307 18.773 1.00 0.00 H new ATOM 0 HB2 HIS A 86 2.206 22.571 19.913 1.00 0.00 H new ATOM 0 HB3 HIS A 86 1.745 21.611 18.522 1.00 0.00 H new ATOM 0 HD2 HIS A 86 2.010 18.681 19.334 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -0.082 19.610 22.927 1.00 0.00 H new ATOM 0 HE2 HIS A 86 0.636 17.724 21.354 1.00 0.00 H new ATOM 1365 N LYS A 87 4.141 21.760 16.804 1.00 0.00 N ATOM 1366 CA LYS A 87 4.360 22.486 15.547 1.00 0.00 C ATOM 1367 C LYS A 87 3.168 22.384 14.587 1.00 0.00 C ATOM 1368 O LYS A 87 2.366 21.449 14.659 1.00 0.00 O ATOM 1369 CB LYS A 87 5.690 22.059 14.896 1.00 0.00 C ATOM 1370 CG LYS A 87 6.893 22.527 15.728 1.00 0.00 C ATOM 1371 CD LYS A 87 8.228 22.251 15.026 1.00 0.00 C ATOM 1372 CE LYS A 87 9.365 22.815 15.890 1.00 0.00 C ATOM 1373 NZ LYS A 87 10.704 22.480 15.337 1.00 0.00 N ATOM 0 H LYS A 87 3.892 20.784 16.646 1.00 0.00 H new ATOM 0 HA LYS A 87 4.440 23.546 15.790 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.716 20.974 14.794 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.756 22.476 13.891 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.802 23.595 15.925 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.882 22.023 16.694 1.00 0.00 H new ATOM 0 HD2 LYS A 87 8.362 21.180 14.877 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.239 22.713 14.039 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.263 23.898 15.962 1.00 0.00 H new ATOM 0 HE3 LYS A 87 9.282 22.419 16.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 11.443 22.880 15.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 10.813 21.447 15.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 10.795 22.879 14.381 1.00 0.00 H new ATOM 1387 N PHE A 88 3.108 23.354 13.681 1.00 0.00 N ATOM 1388 CA PHE A 88 2.186 23.495 12.553 1.00 0.00 C ATOM 1389 C PHE A 88 2.971 23.550 11.240 1.00 0.00 C ATOM 1390 O PHE A 88 4.111 24.013 11.222 1.00 0.00 O ATOM 1391 CB PHE A 88 1.350 24.774 12.719 1.00 0.00 C ATOM 1392 CG PHE A 88 -0.084 24.482 13.079 1.00 0.00 C ATOM 1393 CD1 PHE A 88 -0.991 24.096 12.076 1.00 0.00 C ATOM 1394 CD2 PHE A 88 -0.504 24.567 14.416 1.00 0.00 C ATOM 1395 CE1 PHE A 88 -2.322 23.803 12.411 1.00 0.00 C ATOM 1396 CE2 PHE A 88 -1.838 24.285 14.747 1.00 0.00 C ATOM 1397 CZ PHE A 88 -2.748 23.901 13.745 1.00 0.00 C ATOM 0 H PHE A 88 3.763 24.135 13.719 1.00 0.00 H new ATOM 0 HA PHE A 88 1.518 22.634 12.530 1.00 0.00 H new ATOM 0 HB2 PHE A 88 1.796 25.398 13.493 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.379 25.347 11.792 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.664 24.025 11.049 1.00 0.00 H new ATOM 0 HD2 PHE A 88 0.198 24.849 15.187 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -3.019 23.502 11.642 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -2.167 24.363 15.773 1.00 0.00 H new ATOM 0 HZ PHE A 88 -3.774 23.682 14.002 1.00 0.00 H new ATOM 1407 N MET A 89 2.360 23.116 10.140 1.00 0.00 N ATOM 1408 CA MET A 89 2.951 23.207 8.803 1.00 0.00 C ATOM 1409 C MET A 89 1.873 23.534 7.762 1.00 0.00 C ATOM 1410 O MET A 89 0.779 22.973 7.793 1.00 0.00 O ATOM 1411 CB MET A 89 3.729 21.909 8.513 1.00 0.00 C ATOM 1412 CG MET A 89 4.456 21.897 7.163 1.00 0.00 C ATOM 1413 SD MET A 89 3.439 21.407 5.743 1.00 0.00 S ATOM 1414 CE MET A 89 3.517 19.604 5.908 1.00 0.00 C ATOM 0 H MET A 89 1.434 22.688 10.149 1.00 0.00 H new ATOM 0 HA MET A 89 3.665 24.028 8.748 1.00 0.00 H new ATOM 0 HB2 MET A 89 4.459 21.752 9.307 1.00 0.00 H new ATOM 0 HB3 MET A 89 3.036 21.069 8.547 1.00 0.00 H new ATOM 0 HG2 MET A 89 4.857 22.893 6.976 1.00 0.00 H new ATOM 0 HG3 MET A 89 5.306 21.218 7.232 1.00 0.00 H new ATOM 0 HE1 MET A 89 2.940 19.140 5.108 1.00 0.00 H new ATOM 0 HE2 MET A 89 4.555 19.277 5.843 1.00 0.00 H new ATOM 0 HE3 MET A 89 3.103 19.309 6.872 1.00 0.00 H new ATOM 1424 N VAL A 90 2.183 24.445 6.839 1.00 0.00 N ATOM 1425 CA VAL A 90 1.333 24.778 5.683 1.00 0.00 C ATOM 1426 C VAL A 90 2.061 24.353 4.413 1.00 0.00 C ATOM 1427 O VAL A 90 3.165 24.829 4.155 1.00 0.00 O ATOM 1428 CB VAL A 90 0.961 26.274 5.657 1.00 0.00 C ATOM 1429 CG1 VAL A 90 0.050 26.607 4.465 1.00 0.00 C ATOM 1430 CG2 VAL A 90 0.221 26.688 6.937 1.00 0.00 C ATOM 0 H VAL A 90 3.047 24.986 6.870 1.00 0.00 H new ATOM 0 HA VAL A 90 0.389 24.238 5.759 1.00 0.00 H new ATOM 0 HB VAL A 90 1.901 26.820 5.573 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.192 27.670 4.478 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.564 26.363 3.535 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -0.869 26.025 4.535 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.027 27.748 6.887 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.695 26.105 7.032 1.00 0.00 H new ATOM 0 HG23 VAL A 90 0.859 26.505 7.802 1.00 0.00 H new ATOM 1440 N GLN A 91 1.438 23.479 3.627 1.00 0.00 N ATOM 1441 CA GLN A 91 1.915 22.972 2.341 1.00 0.00 C ATOM 1442 C GLN A 91 1.158 23.655 1.197 1.00 0.00 C ATOM 1443 O GLN A 91 -0.052 23.859 1.286 1.00 0.00 O ATOM 1444 CB GLN A 91 1.709 21.448 2.321 1.00 0.00 C ATOM 1445 CG GLN A 91 2.111 20.750 1.012 1.00 0.00 C ATOM 1446 CD GLN A 91 1.887 19.241 1.109 1.00 0.00 C ATOM 1447 OE1 GLN A 91 0.892 18.693 0.654 1.00 0.00 O ATOM 1448 NE2 GLN A 91 2.784 18.519 1.742 1.00 0.00 N ATOM 0 H GLN A 91 0.534 23.082 3.884 1.00 0.00 H new ATOM 0 HA GLN A 91 2.974 23.192 2.208 1.00 0.00 H new ATOM 0 HB2 GLN A 91 2.281 21.009 3.138 1.00 0.00 H new ATOM 0 HB3 GLN A 91 0.658 21.237 2.519 1.00 0.00 H new ATOM 0 HG2 GLN A 91 1.529 21.156 0.185 1.00 0.00 H new ATOM 0 HG3 GLN A 91 3.159 20.953 0.794 1.00 0.00 H new ATOM 0 HE21 GLN A 91 3.618 18.964 2.126 1.00 0.00 H new ATOM 0 HE22 GLN A 91 2.646 17.514 1.849 1.00 0.00 H new ATOM 1457 N THR A 92 1.838 23.964 0.100 1.00 0.00 N ATOM 1458 CA THR A 92 1.240 24.540 -1.115 1.00 0.00 C ATOM 1459 C THR A 92 1.846 23.984 -2.398 1.00 0.00 C ATOM 1460 O THR A 92 2.976 23.494 -2.414 1.00 0.00 O ATOM 1461 CB THR A 92 1.327 26.070 -1.157 1.00 0.00 C ATOM 1462 OG1 THR A 92 2.585 26.535 -0.755 1.00 0.00 O ATOM 1463 CG2 THR A 92 0.285 26.739 -0.275 1.00 0.00 C ATOM 0 H THR A 92 2.845 23.821 0.021 1.00 0.00 H new ATOM 0 HA THR A 92 0.192 24.246 -1.062 1.00 0.00 H new ATOM 0 HB THR A 92 1.145 26.333 -2.199 1.00 0.00 H new ATOM 0 HG1 THR A 92 2.480 27.149 0.002 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.392 27.822 -0.343 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.712 26.451 -0.608 1.00 0.00 H new ATOM 0 HG23 THR A 92 0.427 26.424 0.759 1.00 0.00 H new ATOM 1471 N ILE A 93 1.083 24.072 -3.490 1.00 0.00 N ATOM 1472 CA ILE A 93 1.567 23.792 -4.852 1.00 0.00 C ATOM 1473 C ILE A 93 0.808 24.633 -5.880 1.00 0.00 C ATOM 1474 O ILE A 93 -0.382 24.906 -5.707 1.00 0.00 O ATOM 1475 CB ILE A 93 1.509 22.272 -5.130 1.00 0.00 C ATOM 1476 CG1 ILE A 93 2.579 21.795 -6.142 1.00 0.00 C ATOM 1477 CG2 ILE A 93 0.089 21.777 -5.441 1.00 0.00 C ATOM 1478 CD1 ILE A 93 2.174 21.697 -7.614 1.00 0.00 C ATOM 0 H ILE A 93 0.100 24.342 -3.457 1.00 0.00 H new ATOM 0 HA ILE A 93 2.613 24.087 -4.941 1.00 0.00 H new ATOM 0 HB ILE A 93 1.780 21.784 -4.194 1.00 0.00 H new ATOM 0 HG12 ILE A 93 3.431 22.472 -6.073 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.926 20.812 -5.824 1.00 0.00 H new ATOM 0 HG21 ILE A 93 0.111 20.703 -5.628 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -0.563 21.985 -4.592 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -0.290 22.291 -6.324 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.023 21.351 -8.203 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.349 20.993 -7.718 1.00 0.00 H new ATOM 0 HD13 ILE A 93 1.861 22.678 -7.971 1.00 0.00 H new ATOM 1490 N PHE A 94 1.478 25.083 -6.944 1.00 0.00 N ATOM 1491 CA PHE A 94 0.827 25.864 -8.000 1.00 0.00 C ATOM 1492 C PHE A 94 -0.265 25.044 -8.699 1.00 0.00 C ATOM 1493 O PHE A 94 -0.036 23.914 -9.140 1.00 0.00 O ATOM 1494 CB PHE A 94 1.852 26.398 -9.006 1.00 0.00 C ATOM 1495 CG PHE A 94 2.610 27.615 -8.515 1.00 0.00 C ATOM 1496 CD1 PHE A 94 1.914 28.814 -8.272 1.00 0.00 C ATOM 1497 CD2 PHE A 94 4.004 27.568 -8.318 1.00 0.00 C ATOM 1498 CE1 PHE A 94 2.602 29.958 -7.844 1.00 0.00 C ATOM 1499 CE2 PHE A 94 4.696 28.719 -7.904 1.00 0.00 C ATOM 1500 CZ PHE A 94 3.997 29.917 -7.680 1.00 0.00 C ATOM 0 H PHE A 94 2.473 24.920 -7.098 1.00 0.00 H new ATOM 0 HA PHE A 94 0.347 26.723 -7.532 1.00 0.00 H new ATOM 0 HB2 PHE A 94 2.565 25.607 -9.240 1.00 0.00 H new ATOM 0 HB3 PHE A 94 1.340 26.650 -9.934 1.00 0.00 H new ATOM 0 HD1 PHE A 94 0.844 28.853 -8.416 1.00 0.00 H new ATOM 0 HD2 PHE A 94 4.542 26.646 -8.485 1.00 0.00 H new ATOM 0 HE1 PHE A 94 2.060 30.870 -7.641 1.00 0.00 H new ATOM 0 HE2 PHE A 94 5.765 28.683 -7.758 1.00 0.00 H new ATOM 0 HZ PHE A 94 4.532 30.807 -7.382 1.00 0.00 H new ATOM 1510 N ALA A 95 -1.464 25.620 -8.801 1.00 0.00 N ATOM 1511 CA ALA A 95 -2.600 24.941 -9.426 1.00 0.00 C ATOM 1512 C ALA A 95 -2.439 24.866 -10.967 1.00 0.00 C ATOM 1513 O ALA A 95 -1.844 25.773 -11.565 1.00 0.00 O ATOM 1514 CB ALA A 95 -3.894 25.636 -8.992 1.00 0.00 C ATOM 0 H ALA A 95 -1.674 26.557 -8.458 1.00 0.00 H new ATOM 0 HA ALA A 95 -2.642 23.905 -9.089 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.747 25.137 -9.453 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -3.987 25.587 -7.907 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.870 26.679 -9.307 1.00 0.00 H new ATOM 1520 N PRO A 96 -2.952 23.808 -11.630 1.00 0.00 N ATOM 1521 CA PRO A 96 -2.834 23.634 -13.080 1.00 0.00 C ATOM 1522 C PRO A 96 -3.686 24.643 -13.876 1.00 0.00 C ATOM 1523 O PRO A 96 -4.604 25.257 -13.317 1.00 0.00 O ATOM 1524 CB PRO A 96 -3.249 22.179 -13.339 1.00 0.00 C ATOM 1525 CG PRO A 96 -4.271 21.926 -12.238 1.00 0.00 C ATOM 1526 CD PRO A 96 -3.687 22.690 -11.051 1.00 0.00 C ATOM 0 HA PRO A 96 -1.818 23.830 -13.423 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -3.682 22.051 -14.331 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -2.401 21.497 -13.270 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -5.259 22.297 -12.511 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -4.378 20.863 -12.022 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -4.475 23.041 -10.385 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -3.030 22.053 -10.459 1.00 0.00 H new ATOM 1599 N MET A 102 -9.888 19.938 -6.366 1.00 0.00 N ATOM 1600 CA MET A 102 -8.844 20.276 -5.387 1.00 0.00 C ATOM 1601 C MET A 102 -8.105 19.059 -4.815 1.00 0.00 C ATOM 1602 O MET A 102 -7.076 19.224 -4.171 1.00 0.00 O ATOM 1603 CB MET A 102 -9.417 21.118 -4.239 1.00 0.00 C ATOM 1604 CG MET A 102 -10.488 20.400 -3.408 1.00 0.00 C ATOM 1605 SD MET A 102 -12.125 20.218 -4.174 1.00 0.00 S ATOM 1606 CE MET A 102 -12.979 19.323 -2.848 1.00 0.00 C ATOM 0 HA MET A 102 -8.108 20.856 -5.944 1.00 0.00 H new ATOM 0 HB2 MET A 102 -8.602 21.417 -3.580 1.00 0.00 H new ATOM 0 HB3 MET A 102 -9.845 22.032 -4.652 1.00 0.00 H new ATOM 0 HG2 MET A 102 -10.116 19.406 -3.159 1.00 0.00 H new ATOM 0 HG3 MET A 102 -10.609 20.940 -2.469 1.00 0.00 H new ATOM 0 HE1 MET A 102 -14.008 19.124 -3.147 1.00 0.00 H new ATOM 0 HE2 MET A 102 -12.468 18.379 -2.658 1.00 0.00 H new ATOM 0 HE3 MET A 102 -12.975 19.927 -1.941 1.00 0.00 H new ATOM 1616 N GLU A 103 -8.605 17.840 -5.033 1.00 0.00 N ATOM 1617 CA GLU A 103 -7.890 16.604 -4.684 1.00 0.00 C ATOM 1618 C GLU A 103 -6.866 16.232 -5.769 1.00 0.00 C ATOM 1619 O GLU A 103 -5.759 15.794 -5.467 1.00 0.00 O ATOM 1620 CB GLU A 103 -8.913 15.479 -4.458 1.00 0.00 C ATOM 1621 CG GLU A 103 -8.268 14.180 -3.957 1.00 0.00 C ATOM 1622 CD GLU A 103 -9.338 13.116 -3.652 1.00 0.00 C ATOM 1623 OE1 GLU A 103 -9.706 12.340 -4.569 1.00 0.00 O ATOM 1624 OE2 GLU A 103 -9.810 13.036 -2.491 1.00 0.00 O ATOM 0 H GLU A 103 -9.519 17.679 -5.457 1.00 0.00 H new ATOM 0 HA GLU A 103 -7.328 16.758 -3.763 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -9.658 15.812 -3.735 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -9.440 15.281 -5.391 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -7.576 13.800 -4.708 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -7.684 14.382 -3.059 1.00 0.00 H new ATOM 1631 N ALA A 104 -7.205 16.460 -7.042 1.00 0.00 N ATOM 1632 CA ALA A 104 -6.434 15.968 -8.185 1.00 0.00 C ATOM 1633 C ALA A 104 -5.074 16.665 -8.317 1.00 0.00 C ATOM 1634 O ALA A 104 -4.079 16.011 -8.636 1.00 0.00 O ATOM 1635 CB ALA A 104 -7.285 16.149 -9.441 1.00 0.00 C ATOM 0 H ALA A 104 -8.030 16.997 -7.309 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.205 14.913 -8.037 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -6.733 15.790 -10.309 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -8.210 15.582 -9.339 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -7.520 17.205 -9.572 1.00 0.00 H new ATOM 1641 N VAL A 105 -5.008 17.958 -7.972 1.00 0.00 N ATOM 1642 CA VAL A 105 -3.750 18.727 -7.914 1.00 0.00 C ATOM 1643 C VAL A 105 -2.711 18.075 -6.983 1.00 0.00 C ATOM 1644 O VAL A 105 -1.519 18.088 -7.276 1.00 0.00 O ATOM 1645 CB VAL A 105 -4.022 20.186 -7.504 1.00 0.00 C ATOM 1646 CG1 VAL A 105 -4.553 20.287 -6.069 1.00 0.00 C ATOM 1647 CG2 VAL A 105 -2.758 21.038 -7.638 1.00 0.00 C ATOM 0 H VAL A 105 -5.831 18.507 -7.723 1.00 0.00 H new ATOM 0 HA VAL A 105 -3.323 18.723 -8.917 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.787 20.565 -8.182 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -4.732 21.333 -5.820 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -5.486 19.730 -5.986 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -3.819 19.870 -5.379 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -2.978 22.064 -7.342 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -1.977 20.634 -6.994 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.418 21.024 -8.673 1.00 0.00 H new ATOM 1657 N TRP A 106 -3.146 17.445 -5.888 1.00 0.00 N ATOM 1658 CA TRP A 106 -2.261 16.767 -4.937 1.00 0.00 C ATOM 1659 C TRP A 106 -1.838 15.364 -5.391 1.00 0.00 C ATOM 1660 O TRP A 106 -0.772 14.889 -5.002 1.00 0.00 O ATOM 1661 CB TRP A 106 -2.970 16.703 -3.588 1.00 0.00 C ATOM 1662 CG TRP A 106 -3.334 18.037 -2.999 1.00 0.00 C ATOM 1663 CD1 TRP A 106 -4.583 18.427 -2.660 1.00 0.00 C ATOM 1664 CD2 TRP A 106 -2.475 19.183 -2.693 1.00 0.00 C ATOM 1665 NE1 TRP A 106 -4.565 19.717 -2.181 1.00 0.00 N ATOM 1666 CE2 TRP A 106 -3.292 20.229 -2.166 1.00 0.00 C ATOM 1667 CE3 TRP A 106 -1.090 19.443 -2.781 1.00 0.00 C ATOM 1668 CZ2 TRP A 106 -2.772 21.453 -1.734 1.00 0.00 C ATOM 1669 CZ3 TRP A 106 -0.552 20.670 -2.343 1.00 0.00 C ATOM 1670 CH2 TRP A 106 -1.388 21.665 -1.810 1.00 0.00 C ATOM 0 H TRP A 106 -4.133 17.391 -5.634 1.00 0.00 H new ATOM 0 HA TRP A 106 -1.338 17.342 -4.867 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -3.879 16.112 -3.700 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -2.330 16.173 -2.882 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -5.468 17.814 -2.752 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -5.393 20.228 -1.876 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -0.433 18.690 -3.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -3.425 22.222 -1.348 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 0.511 20.846 -2.418 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -0.964 22.594 -1.458 1.00 0.00 H new ATOM 1681 N LYS A 107 -2.654 14.710 -6.230 1.00 0.00 N ATOM 1682 CA LYS A 107 -2.338 13.413 -6.851 1.00 0.00 C ATOM 1683 C LYS A 107 -1.378 13.562 -8.037 1.00 0.00 C ATOM 1684 O LYS A 107 -0.544 12.684 -8.260 1.00 0.00 O ATOM 1685 CB LYS A 107 -3.640 12.701 -7.257 1.00 0.00 C ATOM 1686 CG LYS A 107 -4.646 12.489 -6.109 1.00 0.00 C ATOM 1687 CD LYS A 107 -4.106 11.667 -4.931 1.00 0.00 C ATOM 1688 CE LYS A 107 -5.125 11.686 -3.783 1.00 0.00 C ATOM 1689 NZ LYS A 107 -4.705 10.801 -2.660 1.00 0.00 N ATOM 0 H LYS A 107 -3.568 15.073 -6.502 1.00 0.00 H new ATOM 0 HA LYS A 107 -1.819 12.798 -6.116 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -4.124 13.280 -8.043 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -3.389 11.730 -7.685 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -4.966 13.463 -5.739 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -5.531 11.992 -6.506 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -3.917 10.641 -5.246 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -3.154 12.077 -4.593 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -5.243 12.706 -3.418 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -6.098 11.366 -4.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -5.417 10.839 -1.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -4.616 9.823 -3.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -3.788 11.122 -2.289 1.00 0.00 H new ATOM 1703 N GLU A 108 -1.449 14.682 -8.761 1.00 0.00 N ATOM 1704 CA GLU A 108 -0.509 15.014 -9.842 1.00 0.00 C ATOM 1705 C GLU A 108 0.805 15.642 -9.344 1.00 0.00 C ATOM 1706 O GLU A 108 1.856 15.425 -9.951 1.00 0.00 O ATOM 1707 CB GLU A 108 -1.199 15.899 -10.890 1.00 0.00 C ATOM 1708 CG GLU A 108 -1.446 17.348 -10.496 1.00 0.00 C ATOM 1709 CD GLU A 108 -2.169 18.105 -11.626 1.00 0.00 C ATOM 1710 OE1 GLU A 108 -1.482 18.641 -12.529 1.00 0.00 O ATOM 1711 OE2 GLU A 108 -3.422 18.163 -11.625 1.00 0.00 O ATOM 0 H GLU A 108 -2.166 15.392 -8.614 1.00 0.00 H new ATOM 0 HA GLU A 108 -0.218 14.073 -10.309 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -0.594 15.890 -11.796 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.158 15.446 -11.142 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -2.045 17.385 -9.586 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -0.497 17.836 -10.274 1.00 0.00 H new ATOM 1718 N ALA A 109 0.762 16.385 -8.233 1.00 0.00 N ATOM 1719 CA ALA A 109 1.944 16.990 -7.617 1.00 0.00 C ATOM 1720 C ALA A 109 2.861 15.922 -7.006 1.00 0.00 C ATOM 1721 O ALA A 109 2.451 15.149 -6.131 1.00 0.00 O ATOM 1722 CB ALA A 109 1.534 18.016 -6.555 1.00 0.00 C ATOM 0 H ALA A 109 -0.104 16.584 -7.732 1.00 0.00 H new ATOM 0 HA ALA A 109 2.502 17.504 -8.400 1.00 0.00 H new ATOM 0 HB1 ALA A 109 2.427 18.454 -6.109 1.00 0.00 H new ATOM 0 HB2 ALA A 109 0.937 18.801 -7.019 1.00 0.00 H new ATOM 0 HB3 ALA A 109 0.946 17.523 -5.781 1.00 0.00 H new ATOM 1728 N LYS A 110 4.122 15.908 -7.440 1.00 0.00 N ATOM 1729 CA LYS A 110 5.165 15.019 -6.912 1.00 0.00 C ATOM 1730 C LYS A 110 5.817 15.597 -5.651 1.00 0.00 C ATOM 1731 O LYS A 110 5.818 16.813 -5.471 1.00 0.00 O ATOM 1732 CB LYS A 110 6.174 14.726 -8.037 1.00 0.00 C ATOM 1733 CG LYS A 110 5.535 13.827 -9.111 1.00 0.00 C ATOM 1734 CD LYS A 110 6.493 13.481 -10.261 1.00 0.00 C ATOM 1735 CE LYS A 110 7.064 14.704 -10.994 1.00 0.00 C ATOM 1736 NZ LYS A 110 6.002 15.545 -11.617 1.00 0.00 N ATOM 0 H LYS A 110 4.456 16.524 -8.181 1.00 0.00 H new ATOM 0 HA LYS A 110 4.723 14.075 -6.593 1.00 0.00 H new ATOM 0 HB2 LYS A 110 6.507 15.661 -8.488 1.00 0.00 H new ATOM 0 HB3 LYS A 110 7.057 14.238 -7.624 1.00 0.00 H new ATOM 0 HG2 LYS A 110 5.190 12.904 -8.644 1.00 0.00 H new ATOM 0 HG3 LYS A 110 4.656 14.327 -9.517 1.00 0.00 H new ATOM 0 HD2 LYS A 110 7.319 12.890 -9.865 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.967 12.853 -10.980 1.00 0.00 H new ATOM 0 HE2 LYS A 110 7.637 15.310 -10.292 1.00 0.00 H new ATOM 0 HE3 LYS A 110 7.757 14.370 -11.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 6.427 16.164 -12.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 5.291 14.932 -12.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 5.546 16.127 -10.885 1.00 0.00 H new ATOM 1750 N PRO A 111 6.437 14.757 -4.803 1.00 0.00 N ATOM 1751 CA PRO A 111 7.076 15.178 -3.549 1.00 0.00 C ATOM 1752 C PRO A 111 8.231 16.183 -3.732 1.00 0.00 C ATOM 1753 O PRO A 111 8.618 16.864 -2.781 1.00 0.00 O ATOM 1754 CB PRO A 111 7.524 13.879 -2.865 1.00 0.00 C ATOM 1755 CG PRO A 111 7.616 12.867 -4.005 1.00 0.00 C ATOM 1756 CD PRO A 111 6.527 13.315 -4.961 1.00 0.00 C ATOM 0 HA PRO A 111 6.370 15.738 -2.936 1.00 0.00 H new ATOM 0 HB2 PRO A 111 8.484 14.003 -2.365 1.00 0.00 H new ATOM 0 HB3 PRO A 111 6.808 13.561 -2.107 1.00 0.00 H new ATOM 0 HG2 PRO A 111 8.598 12.883 -4.478 1.00 0.00 H new ATOM 0 HG3 PRO A 111 7.448 11.849 -3.653 1.00 0.00 H new ATOM 0 HD2 PRO A 111 6.773 13.048 -5.989 1.00 0.00 H new ATOM 0 HD3 PRO A 111 5.577 12.835 -4.726 1.00 0.00 H new ATOM 1764 N ASP A 112 8.744 16.316 -4.958 1.00 0.00 N ATOM 1765 CA ASP A 112 9.759 17.296 -5.364 1.00 0.00 C ATOM 1766 C ASP A 112 9.179 18.645 -5.848 1.00 0.00 C ATOM 1767 O ASP A 112 9.909 19.631 -5.957 1.00 0.00 O ATOM 1768 CB ASP A 112 10.657 16.677 -6.446 1.00 0.00 C ATOM 1769 CG ASP A 112 11.459 15.474 -5.925 1.00 0.00 C ATOM 1770 OD1 ASP A 112 12.434 15.680 -5.163 1.00 0.00 O ATOM 1771 OD2 ASP A 112 11.133 14.319 -6.293 1.00 0.00 O ATOM 0 H ASP A 112 8.451 15.718 -5.730 1.00 0.00 H new ATOM 0 HA ASP A 112 10.339 17.534 -4.472 1.00 0.00 H new ATOM 0 HB2 ASP A 112 10.041 16.362 -7.289 1.00 0.00 H new ATOM 0 HB3 ASP A 112 11.346 17.435 -6.820 1.00 0.00 H new ATOM 1776 N GLU A 113 7.872 18.706 -6.134 1.00 0.00 N ATOM 1777 CA GLU A 113 7.161 19.897 -6.631 1.00 0.00 C ATOM 1778 C GLU A 113 6.433 20.676 -5.521 1.00 0.00 C ATOM 1779 O GLU A 113 5.999 21.807 -5.744 1.00 0.00 O ATOM 1780 CB GLU A 113 6.144 19.479 -7.709 1.00 0.00 C ATOM 1781 CG GLU A 113 6.799 18.833 -8.934 1.00 0.00 C ATOM 1782 CD GLU A 113 5.738 18.438 -9.971 1.00 0.00 C ATOM 1783 OE1 GLU A 113 5.048 17.408 -9.764 1.00 0.00 O ATOM 1784 OE2 GLU A 113 5.627 19.110 -11.025 1.00 0.00 O ATOM 0 H GLU A 113 7.257 17.900 -6.023 1.00 0.00 H new ATOM 0 HA GLU A 113 7.917 20.563 -7.047 1.00 0.00 H new ATOM 0 HB2 GLU A 113 5.430 18.779 -7.275 1.00 0.00 H new ATOM 0 HB3 GLU A 113 5.579 20.355 -8.026 1.00 0.00 H new ATOM 0 HG2 GLU A 113 7.511 19.527 -9.381 1.00 0.00 H new ATOM 0 HG3 GLU A 113 7.363 17.951 -8.629 1.00 0.00 H new ATOM 1791 N LEU A 114 6.282 20.081 -4.331 1.00 0.00 N ATOM 1792 CA LEU A 114 5.539 20.643 -3.198 1.00 0.00 C ATOM 1793 C LEU A 114 6.395 21.674 -2.441 1.00 0.00 C ATOM 1794 O LEU A 114 7.587 21.446 -2.210 1.00 0.00 O ATOM 1795 CB LEU A 114 5.090 19.499 -2.264 1.00 0.00 C ATOM 1796 CG LEU A 114 4.122 18.485 -2.909 1.00 0.00 C ATOM 1797 CD1 LEU A 114 4.004 17.212 -2.078 1.00 0.00 C ATOM 1798 CD2 LEU A 114 2.715 19.046 -3.068 1.00 0.00 C ATOM 0 H LEU A 114 6.686 19.167 -4.125 1.00 0.00 H new ATOM 0 HA LEU A 114 4.656 21.163 -3.569 1.00 0.00 H new ATOM 0 HB2 LEU A 114 5.974 18.966 -1.914 1.00 0.00 H new ATOM 0 HB3 LEU A 114 4.610 19.932 -1.386 1.00 0.00 H new ATOM 0 HG LEU A 114 4.548 18.268 -3.888 1.00 0.00 H new ATOM 0 HD11 LEU A 114 3.314 16.523 -2.564 1.00 0.00 H new ATOM 0 HD12 LEU A 114 4.984 16.743 -1.990 1.00 0.00 H new ATOM 0 HD13 LEU A 114 3.630 17.459 -1.085 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.073 18.294 -3.526 1.00 0.00 H new ATOM 0 HD22 LEU A 114 2.318 19.315 -2.089 1.00 0.00 H new ATOM 0 HD23 LEU A 114 2.746 19.932 -3.702 1.00 0.00 H new ATOM 1810 N MET A 115 5.777 22.777 -2.010 1.00 0.00 N ATOM 1811 CA MET A 115 6.395 23.793 -1.149 1.00 0.00 C ATOM 1812 C MET A 115 5.773 23.767 0.257 1.00 0.00 C ATOM 1813 O MET A 115 4.600 23.425 0.403 1.00 0.00 O ATOM 1814 CB MET A 115 6.258 25.203 -1.752 1.00 0.00 C ATOM 1815 CG MET A 115 6.707 25.344 -3.215 1.00 0.00 C ATOM 1816 SD MET A 115 5.438 25.036 -4.484 1.00 0.00 S ATOM 1817 CE MET A 115 4.380 26.499 -4.291 1.00 0.00 C ATOM 0 H MET A 115 4.811 22.995 -2.255 1.00 0.00 H new ATOM 0 HA MET A 115 7.456 23.553 -1.075 1.00 0.00 H new ATOM 0 HB2 MET A 115 5.215 25.510 -1.679 1.00 0.00 H new ATOM 0 HB3 MET A 115 6.838 25.897 -1.144 1.00 0.00 H new ATOM 0 HG2 MET A 115 7.095 26.352 -3.358 1.00 0.00 H new ATOM 0 HG3 MET A 115 7.535 24.656 -3.386 1.00 0.00 H new ATOM 0 HE1 MET A 115 3.642 26.523 -5.093 1.00 0.00 H new ATOM 0 HE2 MET A 115 3.869 26.454 -3.329 1.00 0.00 H new ATOM 0 HE3 MET A 115 4.993 27.399 -4.334 1.00 0.00 H new ATOM 1827 N ASP A 116 6.520 24.141 1.300 1.00 0.00 N ATOM 1828 CA ASP A 116 5.988 24.239 2.667 1.00 0.00 C ATOM 1829 C ASP A 116 6.678 25.300 3.546 1.00 0.00 C ATOM 1830 O ASP A 116 7.734 25.836 3.202 1.00 0.00 O ATOM 1831 CB ASP A 116 5.998 22.860 3.349 1.00 0.00 C ATOM 1832 CG ASP A 116 7.417 22.358 3.665 1.00 0.00 C ATOM 1833 OD1 ASP A 116 7.949 22.696 4.748 1.00 0.00 O ATOM 1834 OD2 ASP A 116 7.993 21.601 2.845 1.00 0.00 O ATOM 0 H ASP A 116 7.508 24.384 1.224 1.00 0.00 H new ATOM 0 HA ASP A 116 4.960 24.585 2.561 1.00 0.00 H new ATOM 0 HB2 ASP A 116 5.423 22.913 4.273 1.00 0.00 H new ATOM 0 HB3 ASP A 116 5.498 22.138 2.704 1.00 0.00 H new ATOM 1839 N SER A 117 6.057 25.587 4.698 1.00 0.00 N ATOM 1840 CA SER A 117 6.597 26.395 5.804 1.00 0.00 C ATOM 1841 C SER A 117 6.097 25.824 7.134 1.00 0.00 C ATOM 1842 O SER A 117 4.935 25.418 7.214 1.00 0.00 O ATOM 1843 CB SER A 117 6.153 27.865 5.715 1.00 0.00 C ATOM 1844 OG SER A 117 6.494 28.430 4.460 1.00 0.00 O ATOM 0 H SER A 117 5.116 25.245 4.895 1.00 0.00 H new ATOM 0 HA SER A 117 7.684 26.357 5.738 1.00 0.00 H new ATOM 0 HB2 SER A 117 5.076 27.932 5.866 1.00 0.00 H new ATOM 0 HB3 SER A 117 6.623 28.438 6.514 1.00 0.00 H new ATOM 0 HG SER A 117 6.199 29.364 4.431 1.00 0.00 H new ATOM 1850 N LYS A 118 6.937 25.823 8.177 1.00 0.00 N ATOM 1851 CA LYS A 118 6.592 25.333 9.529 1.00 0.00 C ATOM 1852 C LYS A 118 6.679 26.420 10.610 1.00 0.00 C ATOM 1853 O LYS A 118 7.414 27.396 10.470 1.00 0.00 O ATOM 1854 CB LYS A 118 7.353 24.033 9.869 1.00 0.00 C ATOM 1855 CG LYS A 118 8.788 24.166 10.411 1.00 0.00 C ATOM 1856 CD LYS A 118 9.750 24.927 9.484 1.00 0.00 C ATOM 1857 CE LYS A 118 11.214 24.842 9.948 1.00 0.00 C ATOM 1858 NZ LYS A 118 11.827 23.509 9.678 1.00 0.00 N ATOM 0 H LYS A 118 7.895 26.168 8.109 1.00 0.00 H new ATOM 0 HA LYS A 118 5.535 25.066 9.516 1.00 0.00 H new ATOM 0 HB2 LYS A 118 6.766 23.483 10.605 1.00 0.00 H new ATOM 0 HB3 LYS A 118 7.390 23.420 8.968 1.00 0.00 H new ATOM 0 HG2 LYS A 118 8.754 24.674 11.375 1.00 0.00 H new ATOM 0 HG3 LYS A 118 9.189 23.169 10.591 1.00 0.00 H new ATOM 0 HD2 LYS A 118 9.669 24.524 8.474 1.00 0.00 H new ATOM 0 HD3 LYS A 118 9.449 25.973 9.435 1.00 0.00 H new ATOM 0 HE2 LYS A 118 11.796 25.614 9.444 1.00 0.00 H new ATOM 0 HE3 LYS A 118 11.265 25.051 11.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 12.813 23.506 10.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 11.291 22.772 10.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 11.805 23.318 8.656 1.00 0.00 H new ATOM 1872 N LEU A 119 5.885 26.244 11.663 1.00 0.00 N ATOM 1873 CA LEU A 119 5.646 27.172 12.768 1.00 0.00 C ATOM 1874 C LEU A 119 5.493 26.351 14.057 1.00 0.00 C ATOM 1875 O LEU A 119 5.257 25.147 14.004 1.00 0.00 O ATOM 1876 CB LEU A 119 4.367 28.008 12.501 1.00 0.00 C ATOM 1877 CG LEU A 119 4.437 28.965 11.286 1.00 0.00 C ATOM 1878 CD1 LEU A 119 3.848 28.321 10.029 1.00 0.00 C ATOM 1879 CD2 LEU A 119 3.609 30.234 11.494 1.00 0.00 C ATOM 0 H LEU A 119 5.350 25.383 11.776 1.00 0.00 H new ATOM 0 HA LEU A 119 6.482 27.864 12.865 1.00 0.00 H new ATOM 0 HB2 LEU A 119 3.531 27.324 12.355 1.00 0.00 H new ATOM 0 HB3 LEU A 119 4.146 28.596 13.392 1.00 0.00 H new ATOM 0 HG LEU A 119 5.497 29.193 11.178 1.00 0.00 H new ATOM 0 HD11 LEU A 119 3.914 29.021 9.196 1.00 0.00 H new ATOM 0 HD12 LEU A 119 4.407 27.417 9.788 1.00 0.00 H new ATOM 0 HD13 LEU A 119 2.803 28.066 10.206 1.00 0.00 H new ATOM 0 HD21 LEU A 119 3.692 30.871 10.613 1.00 0.00 H new ATOM 0 HD22 LEU A 119 2.564 29.965 11.650 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.980 30.771 12.367 1.00 0.00 H new ATOM 1891 N ARG A 120 5.578 26.992 15.221 1.00 0.00 N ATOM 1892 CA ARG A 120 5.405 26.372 16.552 1.00 0.00 C ATOM 1893 C ARG A 120 4.249 27.016 17.317 1.00 0.00 C ATOM 1894 O ARG A 120 3.926 28.175 17.067 1.00 0.00 O ATOM 1895 CB ARG A 120 6.736 26.388 17.334 1.00 0.00 C ATOM 1896 CG ARG A 120 7.439 27.745 17.225 1.00 0.00 C ATOM 1897 CD ARG A 120 8.673 27.866 18.123 1.00 0.00 C ATOM 1898 NE ARG A 120 9.246 29.212 17.961 1.00 0.00 N ATOM 1899 CZ ARG A 120 10.302 29.734 18.544 1.00 0.00 C ATOM 1900 NH1 ARG A 120 11.041 29.061 19.384 1.00 0.00 N ATOM 1901 NH2 ARG A 120 10.629 30.966 18.282 1.00 0.00 N ATOM 0 H ARG A 120 5.776 27.991 15.276 1.00 0.00 H new ATOM 0 HA ARG A 120 5.131 25.325 16.421 1.00 0.00 H new ATOM 0 HB2 ARG A 120 6.545 26.160 18.383 1.00 0.00 H new ATOM 0 HB3 ARG A 120 7.392 25.606 16.952 1.00 0.00 H new ATOM 0 HG2 ARG A 120 7.735 27.910 16.189 1.00 0.00 H new ATOM 0 HG3 ARG A 120 6.732 28.533 17.484 1.00 0.00 H new ATOM 0 HD2 ARG A 120 8.400 27.694 19.164 1.00 0.00 H new ATOM 0 HD3 ARG A 120 9.409 27.108 17.857 1.00 0.00 H new ATOM 0 HE ARG A 120 8.757 29.823 17.307 1.00 0.00 H new ATOM 0 HH11 ARG A 120 10.806 28.094 19.608 1.00 0.00 H new ATOM 0 HH12 ARG A 120 11.853 29.502 19.816 1.00 0.00 H new ATOM 0 HH21 ARG A 120 10.068 31.515 17.631 1.00 0.00 H new ATOM 0 HH22 ARG A 120 11.446 31.383 18.728 1.00 0.00 H new ATOM 1915 N CYS A 121 3.626 26.268 18.225 1.00 0.00 N ATOM 1916 CA CYS A 121 2.538 26.739 19.076 1.00 0.00 C ATOM 1917 C CYS A 121 3.100 27.378 20.352 1.00 0.00 C ATOM 1918 O CYS A 121 3.885 26.755 21.071 1.00 0.00 O ATOM 1919 CB CYS A 121 1.608 25.567 19.411 1.00 0.00 C ATOM 1920 SG CYS A 121 1.015 24.767 17.891 1.00 0.00 S ATOM 0 H CYS A 121 3.871 25.292 18.393 1.00 0.00 H new ATOM 0 HA CYS A 121 1.965 27.500 18.546 1.00 0.00 H new ATOM 0 HB2 CYS A 121 2.137 24.841 20.028 1.00 0.00 H new ATOM 0 HB3 CYS A 121 0.760 25.924 19.995 1.00 0.00 H new ATOM 0 HG CYS A 121 -0.051 24.071 18.154 1.00 0.00 H new ATOM 1926 N VAL A 122 2.679 28.605 20.646 1.00 0.00 N ATOM 1927 CA VAL A 122 3.040 29.351 21.862 1.00 0.00 C ATOM 1928 C VAL A 122 1.838 29.427 22.788 1.00 0.00 C ATOM 1929 O VAL A 122 0.744 29.737 22.328 1.00 0.00 O ATOM 1930 CB VAL A 122 3.529 30.765 21.516 1.00 0.00 C ATOM 1931 CG1 VAL A 122 3.849 31.592 22.766 1.00 0.00 C ATOM 1932 CG2 VAL A 122 4.775 30.678 20.638 1.00 0.00 C ATOM 0 H VAL A 122 2.058 29.129 20.030 1.00 0.00 H new ATOM 0 HA VAL A 122 3.853 28.826 22.363 1.00 0.00 H new ATOM 0 HB VAL A 122 2.721 31.266 20.983 1.00 0.00 H new ATOM 0 HG11 VAL A 122 4.191 32.583 22.469 1.00 0.00 H new ATOM 0 HG12 VAL A 122 2.953 31.686 23.379 1.00 0.00 H new ATOM 0 HG13 VAL A 122 4.631 31.096 23.340 1.00 0.00 H new ATOM 0 HG21 VAL A 122 5.119 31.683 20.394 1.00 0.00 H new ATOM 0 HG22 VAL A 122 5.561 30.145 21.173 1.00 0.00 H new ATOM 0 HG23 VAL A 122 4.536 30.144 19.719 1.00 0.00 H new ATOM 1942 N PHE A 123 2.054 29.207 24.083 1.00 0.00 N ATOM 1943 CA PHE A 123 1.002 29.199 25.100 1.00 0.00 C ATOM 1944 C PHE A 123 1.196 30.340 26.105 1.00 0.00 C ATOM 1945 O PHE A 123 2.256 30.455 26.725 1.00 0.00 O ATOM 1946 CB PHE A 123 0.975 27.835 25.795 1.00 0.00 C ATOM 1947 CG PHE A 123 0.904 26.663 24.837 1.00 0.00 C ATOM 1948 CD1 PHE A 123 -0.175 26.552 23.941 1.00 0.00 C ATOM 1949 CD2 PHE A 123 1.936 25.706 24.816 1.00 0.00 C ATOM 1950 CE1 PHE A 123 -0.242 25.470 23.049 1.00 0.00 C ATOM 1951 CE2 PHE A 123 1.855 24.610 23.941 1.00 0.00 C ATOM 1952 CZ PHE A 123 0.767 24.490 23.063 1.00 0.00 C ATOM 0 H PHE A 123 2.983 29.026 24.463 1.00 0.00 H new ATOM 0 HA PHE A 123 0.038 29.363 24.618 1.00 0.00 H new ATOM 0 HB2 PHE A 123 1.868 27.734 26.412 1.00 0.00 H new ATOM 0 HB3 PHE A 123 0.117 27.796 26.466 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -0.953 27.301 23.939 1.00 0.00 H new ATOM 0 HD2 PHE A 123 2.788 25.814 25.471 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -1.065 25.390 22.355 1.00 0.00 H new ATOM 0 HE2 PHE A 123 2.631 23.859 23.944 1.00 0.00 H new ATOM 0 HZ PHE A 123 0.704 23.643 22.396 1.00 0.00 H new ATOM 1962 N GLU A 124 0.170 31.174 26.273 1.00 0.00 N ATOM 1963 CA GLU A 124 0.190 32.363 27.132 1.00 0.00 C ATOM 1964 C GLU A 124 -1.033 32.421 28.058 1.00 0.00 C ATOM 1965 O GLU A 124 -2.175 32.276 27.617 1.00 0.00 O ATOM 1966 CB GLU A 124 0.248 33.637 26.267 1.00 0.00 C ATOM 1967 CG GLU A 124 1.599 33.882 25.576 1.00 0.00 C ATOM 1968 CD GLU A 124 2.620 34.567 26.509 1.00 0.00 C ATOM 1969 OE1 GLU A 124 2.931 34.032 27.600 1.00 0.00 O ATOM 1970 OE2 GLU A 124 3.126 35.660 26.151 1.00 0.00 O ATOM 0 H GLU A 124 -0.725 31.039 25.803 1.00 0.00 H new ATOM 0 HA GLU A 124 1.080 32.301 27.758 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -0.529 33.578 25.505 1.00 0.00 H new ATOM 0 HB3 GLU A 124 0.015 34.497 26.895 1.00 0.00 H new ATOM 0 HG2 GLU A 124 2.006 32.931 25.232 1.00 0.00 H new ATOM 0 HG3 GLU A 124 1.445 34.501 24.692 1.00 0.00 H new ATOM 1977 N MET A 125 -0.794 32.702 29.341 1.00 0.00 N ATOM 1978 CA MET A 125 -1.837 33.009 30.326 1.00 0.00 C ATOM 1979 C MET A 125 -2.123 34.527 30.363 1.00 0.00 C ATOM 1980 O MET A 125 -1.208 35.323 30.120 1.00 0.00 O ATOM 1981 CB MET A 125 -1.460 32.431 31.703 1.00 0.00 C ATOM 1982 CG MET A 125 -0.169 33.008 32.299 1.00 0.00 C ATOM 1983 SD MET A 125 0.322 32.219 33.856 1.00 0.00 S ATOM 1984 CE MET A 125 1.876 33.101 34.169 1.00 0.00 C ATOM 0 H MET A 125 0.147 32.723 29.733 1.00 0.00 H new ATOM 0 HA MET A 125 -2.769 32.528 30.028 1.00 0.00 H new ATOM 0 HB2 MET A 125 -2.280 32.614 32.397 1.00 0.00 H new ATOM 0 HB3 MET A 125 -1.353 31.350 31.613 1.00 0.00 H new ATOM 0 HG2 MET A 125 0.638 32.898 31.574 1.00 0.00 H new ATOM 0 HG3 MET A 125 -0.302 34.077 32.468 1.00 0.00 H new ATOM 0 HE1 MET A 125 2.319 32.739 35.097 1.00 0.00 H new ATOM 0 HE2 MET A 125 2.566 32.926 33.344 1.00 0.00 H new ATOM 0 HE3 MET A 125 1.677 34.169 34.255 1.00 0.00 H new ATOM 2301 N GLU B 358 6.059 14.094 14.868 1.00 0.00 N ATOM 2302 CA GLU B 358 5.081 13.428 13.996 1.00 0.00 C ATOM 2303 C GLU B 358 3.942 14.351 13.531 1.00 0.00 C ATOM 2304 O GLU B 358 3.018 14.674 14.280 1.00 0.00 O ATOM 2305 CB GLU B 358 4.609 12.091 14.574 1.00 0.00 C ATOM 2306 CG GLU B 358 4.007 11.219 13.467 1.00 0.00 C ATOM 2307 CD GLU B 358 5.081 10.618 12.539 1.00 0.00 C ATOM 2308 OE1 GLU B 358 5.607 9.521 12.849 1.00 0.00 O ATOM 2309 OE2 GLU B 358 5.400 11.239 11.496 1.00 0.00 O ATOM 0 HA GLU B 358 5.609 13.180 13.075 1.00 0.00 H new ATOM 0 HB2 GLU B 358 5.446 11.572 15.041 1.00 0.00 H new ATOM 0 HB3 GLU B 358 3.867 12.265 15.354 1.00 0.00 H new ATOM 0 HG2 GLU B 358 3.429 10.413 13.918 1.00 0.00 H new ATOM 0 HG3 GLU B 358 3.313 11.816 12.875 1.00 0.00 H new ATOM 2316 N PHE B 359 4.001 14.763 12.260 1.00 0.00 N ATOM 2317 CA PHE B 359 2.938 15.518 11.590 1.00 0.00 C ATOM 2318 C PHE B 359 1.817 14.623 11.036 1.00 0.00 C ATOM 2319 O PHE B 359 2.045 13.495 10.592 1.00 0.00 O ATOM 2320 CB PHE B 359 3.535 16.407 10.491 1.00 0.00 C ATOM 2321 CG PHE B 359 3.955 17.773 10.988 1.00 0.00 C ATOM 2322 CD1 PHE B 359 2.973 18.762 11.172 1.00 0.00 C ATOM 2323 CD2 PHE B 359 5.304 18.063 11.273 1.00 0.00 C ATOM 2324 CE1 PHE B 359 3.340 20.050 11.586 1.00 0.00 C ATOM 2325 CE2 PHE B 359 5.669 19.353 11.700 1.00 0.00 C ATOM 2326 CZ PHE B 359 4.690 20.353 11.834 1.00 0.00 C ATOM 0 H PHE B 359 4.803 14.578 11.658 1.00 0.00 H new ATOM 0 HA PHE B 359 2.469 16.149 12.345 1.00 0.00 H new ATOM 0 HB2 PHE B 359 4.399 15.905 10.057 1.00 0.00 H new ATOM 0 HB3 PHE B 359 2.802 16.528 9.693 1.00 0.00 H new ATOM 0 HD1 PHE B 359 1.934 18.529 10.994 1.00 0.00 H new ATOM 0 HD2 PHE B 359 6.057 17.296 11.164 1.00 0.00 H new ATOM 0 HE1 PHE B 359 2.584 20.811 11.715 1.00 0.00 H new ATOM 0 HE2 PHE B 359 6.702 19.575 11.925 1.00 0.00 H new ATOM 0 HZ PHE B 359 4.975 21.353 12.127 1.00 0.00 H new ATOM 2336 N PHE B 360 0.603 15.177 11.022 1.00 0.00 N ATOM 2337 CA PHE B 360 -0.650 14.546 10.614 1.00 0.00 C ATOM 2338 C PHE B 360 -1.473 15.526 9.765 1.00 0.00 C ATOM 2339 O PHE B 360 -1.418 16.741 9.973 1.00 0.00 O ATOM 2340 CB PHE B 360 -1.431 14.145 11.877 1.00 0.00 C ATOM 2341 CG PHE B 360 -0.933 12.876 12.545 1.00 0.00 C ATOM 2342 CD1 PHE B 360 0.162 12.898 13.433 1.00 0.00 C ATOM 2343 CD2 PHE B 360 -1.574 11.654 12.267 1.00 0.00 C ATOM 2344 CE1 PHE B 360 0.587 11.711 14.058 1.00 0.00 C ATOM 2345 CE2 PHE B 360 -1.135 10.466 12.875 1.00 0.00 C ATOM 2346 CZ PHE B 360 -0.058 10.495 13.780 1.00 0.00 C ATOM 0 H PHE B 360 0.462 16.144 11.316 1.00 0.00 H new ATOM 0 HA PHE B 360 -0.446 13.659 10.014 1.00 0.00 H new ATOM 0 HB2 PHE B 360 -1.381 14.963 12.596 1.00 0.00 H new ATOM 0 HB3 PHE B 360 -2.481 14.015 11.614 1.00 0.00 H new ATOM 0 HD1 PHE B 360 0.675 13.827 13.634 1.00 0.00 H new ATOM 0 HD2 PHE B 360 -2.409 11.630 11.582 1.00 0.00 H new ATOM 0 HE1 PHE B 360 1.412 11.735 14.754 1.00 0.00 H new ATOM 0 HE2 PHE B 360 -1.624 9.530 12.648 1.00 0.00 H new ATOM 0 HZ PHE B 360 0.272 9.585 14.259 1.00 0.00 H new ATOM 2356 N ASP B 361 -2.272 15.009 8.829 1.00 0.00 N ATOM 2357 CA ASP B 361 -3.263 15.807 8.100 1.00 0.00 C ATOM 2358 C ASP B 361 -4.296 16.381 9.084 1.00 0.00 C ATOM 2359 O ASP B 361 -5.013 15.634 9.755 1.00 0.00 O ATOM 2360 CB ASP B 361 -3.923 14.945 7.018 1.00 0.00 C ATOM 2361 CG ASP B 361 -4.972 15.743 6.226 1.00 0.00 C ATOM 2362 OD1 ASP B 361 -4.585 16.708 5.528 1.00 0.00 O ATOM 2363 OD2 ASP B 361 -6.177 15.403 6.294 1.00 0.00 O ATOM 0 H ASP B 361 -2.251 14.027 8.555 1.00 0.00 H new ATOM 0 HA ASP B 361 -2.774 16.647 7.606 1.00 0.00 H new ATOM 0 HB2 ASP B 361 -3.161 14.567 6.337 1.00 0.00 H new ATOM 0 HB3 ASP B 361 -4.396 14.078 7.480 1.00 0.00 H new ATOM 2368 N ALA B 362 -4.338 17.710 9.208 1.00 0.00 N ATOM 2369 CA ALA B 362 -5.162 18.378 10.212 1.00 0.00 C ATOM 2370 C ALA B 362 -6.664 18.263 9.877 1.00 0.00 C ATOM 2371 O ALA B 362 -7.052 18.620 8.762 1.00 0.00 O ATOM 2372 CB ALA B 362 -4.733 19.844 10.329 1.00 0.00 C ATOM 0 H ALA B 362 -3.804 18.348 8.618 1.00 0.00 H new ATOM 0 HA ALA B 362 -5.012 17.885 11.173 1.00 0.00 H new ATOM 0 HB1 ALA B 362 -5.347 20.344 11.078 1.00 0.00 H new ATOM 0 HB2 ALA B 362 -3.686 19.894 10.626 1.00 0.00 H new ATOM 0 HB3 ALA B 362 -4.861 20.338 9.366 1.00 0.00 H new ATOM 2378 N PRO B 363 -7.526 17.813 10.807 1.00 0.00 N ATOM 2379 CA PRO B 363 -8.960 17.688 10.555 1.00 0.00 C ATOM 2380 C PRO B 363 -9.691 19.024 10.757 1.00 0.00 C ATOM 2381 O PRO B 363 -9.229 19.897 11.493 1.00 0.00 O ATOM 2382 CB PRO B 363 -9.420 16.617 11.545 1.00 0.00 C ATOM 2383 CG PRO B 363 -8.538 16.883 12.767 1.00 0.00 C ATOM 2384 CD PRO B 363 -7.206 17.291 12.132 1.00 0.00 C ATOM 0 HA PRO B 363 -9.182 17.412 9.524 1.00 0.00 H new ATOM 0 HB2 PRO B 363 -10.479 16.714 11.782 1.00 0.00 H new ATOM 0 HB3 PRO B 363 -9.272 15.612 11.151 1.00 0.00 H new ATOM 0 HG2 PRO B 363 -8.946 17.673 13.397 1.00 0.00 H new ATOM 0 HG3 PRO B 363 -8.434 15.997 13.393 1.00 0.00 H new ATOM 0 HD2 PRO B 363 -6.703 18.046 12.736 1.00 0.00 H new ATOM 0 HD3 PRO B 363 -6.532 16.438 12.061 1.00 0.00 H new ATOM 2392 N GLU B 364 -10.876 19.174 10.159 1.00 0.00 N ATOM 2393 CA GLU B 364 -11.751 20.333 10.407 1.00 0.00 C ATOM 2394 C GLU B 364 -12.266 20.394 11.846 1.00 0.00 C ATOM 2395 O GLU B 364 -12.392 21.481 12.413 1.00 0.00 O ATOM 2396 CB GLU B 364 -12.904 20.394 9.403 1.00 0.00 C ATOM 2397 CG GLU B 364 -13.824 19.164 9.375 1.00 0.00 C ATOM 2398 CD GLU B 364 -14.944 19.343 8.335 1.00 0.00 C ATOM 2399 OE1 GLU B 364 -16.005 19.922 8.673 1.00 0.00 O ATOM 2400 OE2 GLU B 364 -14.776 18.898 7.173 1.00 0.00 O ATOM 0 H GLU B 364 -11.258 18.503 9.493 1.00 0.00 H new ATOM 0 HA GLU B 364 -11.130 21.217 10.262 1.00 0.00 H new ATOM 0 HB2 GLU B 364 -13.509 21.273 9.624 1.00 0.00 H new ATOM 0 HB3 GLU B 364 -12.487 20.537 8.406 1.00 0.00 H new ATOM 0 HG2 GLU B 364 -13.241 18.274 9.139 1.00 0.00 H new ATOM 0 HG3 GLU B 364 -14.260 19.007 10.362 1.00 0.00 H new ATOM 2407 N ILE B 365 -12.524 19.225 12.442 1.00 0.00 N ATOM 2408 CA ILE B 365 -12.811 19.053 13.865 1.00 0.00 C ATOM 2409 C ILE B 365 -12.423 17.630 14.312 1.00 0.00 C ATOM 2410 O ILE B 365 -12.303 16.736 13.474 1.00 0.00 O ATOM 2411 CB ILE B 365 -14.274 19.434 14.193 1.00 0.00 C ATOM 2412 CG1 ILE B 365 -14.336 20.020 15.621 1.00 0.00 C ATOM 2413 CG2 ILE B 365 -15.251 18.265 13.981 1.00 0.00 C ATOM 2414 CD1 ILE B 365 -15.667 20.699 15.954 1.00 0.00 C ATOM 0 H ILE B 365 -12.539 18.345 11.927 1.00 0.00 H new ATOM 0 HA ILE B 365 -12.198 19.742 14.446 1.00 0.00 H new ATOM 0 HB ILE B 365 -14.604 20.200 13.491 1.00 0.00 H new ATOM 0 HG12 ILE B 365 -14.157 19.220 16.340 1.00 0.00 H new ATOM 0 HG13 ILE B 365 -13.530 20.743 15.742 1.00 0.00 H new ATOM 0 HG21 ILE B 365 -16.263 18.588 14.226 1.00 0.00 H new ATOM 0 HG22 ILE B 365 -15.214 17.944 12.940 1.00 0.00 H new ATOM 0 HG23 ILE B 365 -14.969 17.433 14.627 1.00 0.00 H new ATOM 0 HD11 ILE B 365 -15.634 21.085 16.973 1.00 0.00 H new ATOM 0 HD12 ILE B 365 -15.840 21.521 15.260 1.00 0.00 H new ATOM 0 HD13 ILE B 365 -16.477 19.975 15.867 1.00 0.00 H new ATOM 2426 N ILE B 366 -12.252 17.386 15.614 1.00 0.00 N ATOM 2427 CA ILE B 366 -11.809 16.075 16.118 1.00 0.00 C ATOM 2428 C ILE B 366 -12.991 15.092 16.185 1.00 0.00 C ATOM 2429 O ILE B 366 -13.905 15.230 17.000 1.00 0.00 O ATOM 2430 CB ILE B 366 -11.006 16.217 17.440 1.00 0.00 C ATOM 2431 CG1 ILE B 366 -10.643 14.864 18.097 1.00 0.00 C ATOM 2432 CG2 ILE B 366 -11.694 17.101 18.500 1.00 0.00 C ATOM 2433 CD1 ILE B 366 -9.872 13.899 17.188 1.00 0.00 C ATOM 0 H ILE B 366 -12.413 18.080 16.344 1.00 0.00 H new ATOM 0 HA ILE B 366 -11.104 15.637 15.412 1.00 0.00 H new ATOM 0 HB ILE B 366 -10.091 16.710 17.112 1.00 0.00 H new ATOM 0 HG12 ILE B 366 -10.047 15.057 18.989 1.00 0.00 H new ATOM 0 HG13 ILE B 366 -11.561 14.377 18.426 1.00 0.00 H new ATOM 0 HG21 ILE B 366 -11.071 17.150 19.393 1.00 0.00 H new ATOM 0 HG22 ILE B 366 -11.835 18.105 18.100 1.00 0.00 H new ATOM 0 HG23 ILE B 366 -12.663 16.673 18.757 1.00 0.00 H new ATOM 0 HD11 ILE B 366 -9.661 12.978 17.731 1.00 0.00 H new ATOM 0 HD12 ILE B 366 -10.472 13.671 16.307 1.00 0.00 H new ATOM 0 HD13 ILE B 366 -8.935 14.361 16.879 1.00 0.00 H new