USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 725 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 LYS NZ :NH3+ -128:sc= 0.524 (180deg=0) USER MOD Set 1.2: A 71 TYR OH : rot -97:sc= 0.45 USER MOD Set 2.1: A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -1.3 K(o=-1.3,f=-7.1!) USER MOD Single : A 39 LYS NZ :NH3+ 135:sc= -1.41 (180deg=-5.68!) USER MOD Single : A 42 HIS : no HE2:sc= -6.87! C(o=-6.9!,f=-10!) USER MOD Single : A 45 CYS SG : rot -47:sc= -6.26! USER MOD Single : A 48 HIS : no HE2:sc= -7.53! C(o=-7.5!,f=-11!) USER MOD Single : A 52 MET CE :methyl -179:sc= -12.2! (180deg=-12.3!) USER MOD Single : A 55 MET CE :methyl -164:sc= -8.31! (180deg=-10!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 50:sc= -0.24 USER MOD Single : A 62 MET CE :methyl 152:sc= -2.63! (180deg=-3.69!) USER MOD Single : A 65 ASN : amide:sc= -4.71! C(o=-4.7!,f=-6.4!) USER MOD Single : A 70 GLN :FLIP amide:sc= -1.63! C(o=-3.3!,f=-1.6!) USER MOD Single : A 72 SER OG : rot -84:sc= 1.57 USER MOD Single : A 75 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.877) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 80:sc= 0.107 USER MOD Single : A 89 SER OG : rot -60:sc= 0.988 USER MOD Single : A 90 MET CE :methyl -174:sc= -0.807 (180deg=-0.91) USER MOD Single : A 95 GLN : amide:sc= -2.16! C(o=-2.2!,f=-3!) USER MOD Single : A 104 SER OG : rot 69:sc= 0.81 USER MOD Single : A 106 MET CE :methyl 167:sc= -3.05! (180deg=-3.45!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 16:sc= 0.272 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot -53:sc= 0.546 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 HIS : no HD1:sc= -10.3! C(o=-10!,f=-13!) USER MOD Single : A 126 MET CE :methyl 142:sc= -2.31 (180deg=-3.61) USER MOD Single : A 131 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.0229) USER MOD ----------------------------------------------------------------- ATOM 85 N ASN A 36 83.804 -15.648 0.351 1.00 0.00 N ATOM 86 CA ASN A 36 84.905 -15.590 1.355 1.00 0.00 C ATOM 87 C ASN A 36 85.624 -14.241 1.272 1.00 0.00 C ATOM 88 O ASN A 36 86.216 -13.781 2.229 1.00 0.00 O ATOM 89 CB ASN A 36 85.850 -16.729 0.973 1.00 0.00 C ATOM 90 CG ASN A 36 86.225 -16.608 -0.505 1.00 0.00 C ATOM 91 OD1 ASN A 36 86.843 -15.645 -0.911 1.00 0.00 O ATOM 92 ND2 ASN A 36 85.876 -17.554 -1.334 1.00 0.00 N ATOM 0 HA ASN A 36 84.540 -15.692 2.377 1.00 0.00 H new ATOM 0 HB2 ASN A 36 86.747 -16.694 1.591 1.00 0.00 H new ATOM 0 HB3 ASN A 36 85.372 -17.690 1.160 1.00 0.00 H new ATOM 0 HD21 ASN A 36 86.123 -17.484 -2.321 1.00 0.00 H new ATOM 0 HD22 ASN A 36 85.357 -18.364 -0.995 1.00 0.00 H new ATOM 99 N ALA A 37 85.575 -13.604 0.136 1.00 0.00 N ATOM 100 CA ALA A 37 86.253 -12.285 -0.014 1.00 0.00 C ATOM 101 C ALA A 37 85.479 -11.405 -1.001 1.00 0.00 C ATOM 102 O ALA A 37 84.930 -11.886 -1.967 1.00 0.00 O ATOM 103 CB ALA A 37 87.642 -12.615 -0.561 1.00 0.00 C ATOM 0 H ALA A 37 85.093 -13.940 -0.698 1.00 0.00 H new ATOM 0 HA ALA A 37 86.307 -11.736 0.926 1.00 0.00 H new ATOM 0 HB1 ALA A 37 88.207 -11.693 -0.700 1.00 0.00 H new ATOM 0 HB2 ALA A 37 88.167 -13.259 0.144 1.00 0.00 H new ATOM 0 HB3 ALA A 37 87.544 -13.128 -1.518 1.00 0.00 H new ATOM 109 N VAL A 38 85.435 -10.120 -0.756 1.00 0.00 N ATOM 110 CA VAL A 38 84.697 -9.183 -1.670 1.00 0.00 C ATOM 111 C VAL A 38 85.383 -7.808 -1.622 1.00 0.00 C ATOM 112 O VAL A 38 85.946 -7.454 -0.605 1.00 0.00 O ATOM 113 CB VAL A 38 83.269 -9.105 -1.092 1.00 0.00 C ATOM 114 CG1 VAL A 38 82.839 -10.477 -0.559 1.00 0.00 C ATOM 115 CG2 VAL A 38 83.223 -8.094 0.060 1.00 0.00 C ATOM 0 H VAL A 38 85.881 -9.672 0.044 1.00 0.00 H new ATOM 0 HA VAL A 38 84.685 -9.512 -2.709 1.00 0.00 H new ATOM 0 HB VAL A 38 82.593 -8.791 -1.887 1.00 0.00 H new ATOM 0 HG11 VAL A 38 81.829 -10.410 -0.153 1.00 0.00 H new ATOM 0 HG12 VAL A 38 82.856 -11.204 -1.371 1.00 0.00 H new ATOM 0 HG13 VAL A 38 83.525 -10.794 0.227 1.00 0.00 H new ATOM 0 HG21 VAL A 38 82.211 -8.046 0.462 1.00 0.00 H new ATOM 0 HG22 VAL A 38 83.911 -8.406 0.846 1.00 0.00 H new ATOM 0 HG23 VAL A 38 83.515 -7.110 -0.307 1.00 0.00 H new ATOM 125 N LYS A 39 85.361 -7.009 -2.670 1.00 0.00 N ATOM 126 CA LYS A 39 86.035 -5.701 -2.540 1.00 0.00 C ATOM 127 C LYS A 39 85.017 -4.667 -2.052 1.00 0.00 C ATOM 128 O LYS A 39 84.322 -4.045 -2.830 1.00 0.00 O ATOM 129 CB LYS A 39 86.547 -5.386 -3.938 1.00 0.00 C ATOM 130 CG LYS A 39 88.068 -5.234 -3.904 1.00 0.00 C ATOM 131 CD LYS A 39 88.453 -4.302 -2.753 1.00 0.00 C ATOM 132 CE LYS A 39 89.839 -3.705 -3.012 1.00 0.00 C ATOM 133 NZ LYS A 39 89.778 -3.175 -4.403 1.00 0.00 N ATOM 0 H LYS A 39 84.921 -7.207 -3.569 1.00 0.00 H new ATOM 0 HA LYS A 39 86.855 -5.698 -1.822 1.00 0.00 H new ATOM 0 HB2 LYS A 39 86.266 -6.182 -4.627 1.00 0.00 H new ATOM 0 HB3 LYS A 39 86.088 -4.469 -4.307 1.00 0.00 H new ATOM 0 HG2 LYS A 39 88.540 -6.208 -3.773 1.00 0.00 H new ATOM 0 HG3 LYS A 39 88.427 -4.830 -4.851 1.00 0.00 H new ATOM 0 HD2 LYS A 39 87.716 -3.505 -2.656 1.00 0.00 H new ATOM 0 HD3 LYS A 39 88.454 -4.852 -1.812 1.00 0.00 H new ATOM 0 HE2 LYS A 39 90.067 -2.914 -2.298 1.00 0.00 H new ATOM 0 HE3 LYS A 39 90.619 -4.460 -2.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 90.203 -2.226 -4.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 90.302 -3.809 -5.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 88.786 -3.119 -4.710 1.00 0.00 H new ATOM 147 N VAL A 40 84.894 -4.516 -0.758 1.00 0.00 N ATOM 148 CA VAL A 40 83.887 -3.564 -0.206 1.00 0.00 C ATOM 149 C VAL A 40 84.495 -2.197 0.119 1.00 0.00 C ATOM 150 O VAL A 40 85.651 -2.073 0.469 1.00 0.00 O ATOM 151 CB VAL A 40 83.381 -4.226 1.074 1.00 0.00 C ATOM 152 CG1 VAL A 40 84.477 -4.176 2.141 1.00 0.00 C ATOM 153 CG2 VAL A 40 82.146 -3.476 1.578 1.00 0.00 C ATOM 0 H VAL A 40 85.449 -5.012 -0.060 1.00 0.00 H new ATOM 0 HA VAL A 40 83.097 -3.373 -0.932 1.00 0.00 H new ATOM 0 HB VAL A 40 83.120 -5.264 0.869 1.00 0.00 H new ATOM 0 HG11 VAL A 40 84.117 -4.648 3.055 1.00 0.00 H new ATOM 0 HG12 VAL A 40 85.359 -4.706 1.782 1.00 0.00 H new ATOM 0 HG13 VAL A 40 84.737 -3.138 2.347 1.00 0.00 H new ATOM 0 HG21 VAL A 40 81.782 -3.946 2.492 1.00 0.00 H new ATOM 0 HG22 VAL A 40 82.409 -2.438 1.784 1.00 0.00 H new ATOM 0 HG23 VAL A 40 81.365 -3.508 0.818 1.00 0.00 H new ATOM 163 N ARG A 41 83.690 -1.174 0.018 1.00 0.00 N ATOM 164 CA ARG A 41 84.148 0.214 0.329 1.00 0.00 C ATOM 165 C ARG A 41 83.111 0.846 1.268 1.00 0.00 C ATOM 166 O ARG A 41 81.953 0.480 1.234 1.00 0.00 O ATOM 167 CB ARG A 41 84.201 0.965 -1.013 1.00 0.00 C ATOM 168 CG ARG A 41 84.211 -0.014 -2.196 1.00 0.00 C ATOM 169 CD ARG A 41 85.473 -0.879 -2.150 1.00 0.00 C ATOM 170 NE ARG A 41 86.350 -0.335 -3.223 1.00 0.00 N ATOM 171 CZ ARG A 41 86.609 -1.054 -4.282 1.00 0.00 C ATOM 172 NH1 ARG A 41 85.708 -1.870 -4.754 1.00 0.00 N ATOM 173 NH2 ARG A 41 87.771 -0.956 -4.869 1.00 0.00 N ATOM 0 H ARG A 41 82.715 -1.242 -0.273 1.00 0.00 H new ATOM 0 HA ARG A 41 85.125 0.244 0.812 1.00 0.00 H new ATOM 0 HB2 ARG A 41 83.341 1.630 -1.095 1.00 0.00 H new ATOM 0 HB3 ARG A 41 85.093 1.591 -1.048 1.00 0.00 H new ATOM 0 HG2 ARG A 41 83.325 -0.648 -2.162 1.00 0.00 H new ATOM 0 HG3 ARG A 41 84.172 0.538 -3.135 1.00 0.00 H new ATOM 0 HD2 ARG A 41 85.958 -0.819 -1.175 1.00 0.00 H new ATOM 0 HD3 ARG A 41 85.239 -1.929 -2.326 1.00 0.00 H new ATOM 0 HE ARG A 41 86.749 0.599 -3.131 1.00 0.00 H new ATOM 0 HH11 ARG A 41 84.800 -1.947 -4.296 1.00 0.00 H new ATOM 0 HH12 ARG A 41 85.911 -2.431 -5.581 1.00 0.00 H new ATOM 0 HH21 ARG A 41 88.476 -0.318 -4.500 1.00 0.00 H new ATOM 0 HH22 ARG A 41 87.974 -1.517 -5.696 1.00 0.00 H new ATOM 187 N HIS A 42 83.492 1.751 2.133 1.00 0.00 N ATOM 188 CA HIS A 42 82.467 2.310 3.065 1.00 0.00 C ATOM 189 C HIS A 42 82.492 3.850 3.173 1.00 0.00 C ATOM 190 O HIS A 42 83.505 4.458 3.457 1.00 0.00 O ATOM 191 CB HIS A 42 82.796 1.655 4.418 1.00 0.00 C ATOM 192 CG HIS A 42 83.708 2.539 5.230 1.00 0.00 C ATOM 193 ND1 HIS A 42 83.259 3.245 6.336 1.00 0.00 N ATOM 194 CD2 HIS A 42 85.041 2.844 5.107 1.00 0.00 C ATOM 195 CE1 HIS A 42 84.306 3.932 6.831 1.00 0.00 C ATOM 196 NE2 HIS A 42 85.416 3.722 6.119 1.00 0.00 N ATOM 0 H HIS A 42 84.438 2.118 2.234 1.00 0.00 H new ATOM 0 HA HIS A 42 81.460 2.093 2.708 1.00 0.00 H new ATOM 0 HB2 HIS A 42 81.875 1.468 4.971 1.00 0.00 H new ATOM 0 HB3 HIS A 42 83.271 0.688 4.254 1.00 0.00 H new ATOM 0 HD1 HIS A 42 82.309 3.244 6.707 1.00 0.00 H new ATOM 0 HD2 HIS A 42 85.699 2.461 4.341 1.00 0.00 H new ATOM 0 HE1 HIS A 42 84.254 4.574 7.698 1.00 0.00 H new ATOM 204 N ILE A 43 81.344 4.456 2.999 1.00 0.00 N ATOM 205 CA ILE A 43 81.205 5.941 3.142 1.00 0.00 C ATOM 206 C ILE A 43 80.133 6.199 4.214 1.00 0.00 C ATOM 207 O ILE A 43 79.070 5.612 4.165 1.00 0.00 O ATOM 208 CB ILE A 43 80.724 6.442 1.773 1.00 0.00 C ATOM 209 CG1 ILE A 43 81.850 6.315 0.743 1.00 0.00 C ATOM 210 CG2 ILE A 43 80.307 7.910 1.882 1.00 0.00 C ATOM 211 CD1 ILE A 43 81.347 6.806 -0.621 1.00 0.00 C ATOM 0 H ILE A 43 80.478 3.974 2.759 1.00 0.00 H new ATOM 0 HA ILE A 43 82.128 6.441 3.434 1.00 0.00 H new ATOM 0 HB ILE A 43 79.874 5.839 1.455 1.00 0.00 H new ATOM 0 HG12 ILE A 43 82.714 6.901 1.057 1.00 0.00 H new ATOM 0 HG13 ILE A 43 82.177 5.278 0.671 1.00 0.00 H new ATOM 0 HG21 ILE A 43 79.966 8.264 0.909 1.00 0.00 H new ATOM 0 HG22 ILE A 43 79.499 8.006 2.607 1.00 0.00 H new ATOM 0 HG23 ILE A 43 81.159 8.507 2.207 1.00 0.00 H new ATOM 0 HD11 ILE A 43 82.146 6.717 -1.357 1.00 0.00 H new ATOM 0 HD12 ILE A 43 80.496 6.201 -0.934 1.00 0.00 H new ATOM 0 HD13 ILE A 43 81.041 7.849 -0.542 1.00 0.00 H new ATOM 223 N LEU A 44 80.381 7.027 5.201 1.00 0.00 N ATOM 224 CA LEU A 44 79.331 7.223 6.245 1.00 0.00 C ATOM 225 C LEU A 44 79.042 8.715 6.470 1.00 0.00 C ATOM 226 O LEU A 44 79.878 9.457 6.930 1.00 0.00 O ATOM 227 CB LEU A 44 79.937 6.556 7.497 1.00 0.00 C ATOM 228 CG LEU A 44 79.726 7.424 8.744 1.00 0.00 C ATOM 229 CD1 LEU A 44 78.233 7.690 8.949 1.00 0.00 C ATOM 230 CD2 LEU A 44 80.286 6.708 9.971 1.00 0.00 C ATOM 0 H LEU A 44 81.241 7.561 5.327 1.00 0.00 H new ATOM 0 HA LEU A 44 78.369 6.791 5.970 1.00 0.00 H new ATOM 0 HB2 LEU A 44 79.479 5.579 7.649 1.00 0.00 H new ATOM 0 HB3 LEU A 44 81.003 6.388 7.343 1.00 0.00 H new ATOM 0 HG LEU A 44 80.245 8.372 8.607 1.00 0.00 H new ATOM 0 HD11 LEU A 44 78.092 8.307 9.836 1.00 0.00 H new ATOM 0 HD12 LEU A 44 77.833 8.210 8.078 1.00 0.00 H new ATOM 0 HD13 LEU A 44 77.709 6.743 9.078 1.00 0.00 H new ATOM 0 HD21 LEU A 44 80.134 7.328 10.855 1.00 0.00 H new ATOM 0 HD22 LEU A 44 79.772 5.756 10.103 1.00 0.00 H new ATOM 0 HD23 LEU A 44 81.352 6.529 9.832 1.00 0.00 H new ATOM 242 N CYS A 45 77.852 9.154 6.171 1.00 0.00 N ATOM 243 CA CYS A 45 77.520 10.589 6.392 1.00 0.00 C ATOM 244 C CYS A 45 77.074 10.802 7.841 1.00 0.00 C ATOM 245 O CYS A 45 76.163 10.159 8.320 1.00 0.00 O ATOM 246 CB CYS A 45 76.374 10.888 5.427 1.00 0.00 C ATOM 247 SG CYS A 45 76.814 10.290 3.778 1.00 0.00 S ATOM 0 H CYS A 45 77.098 8.585 5.785 1.00 0.00 H new ATOM 0 HA CYS A 45 78.373 11.244 6.218 1.00 0.00 H new ATOM 0 HB2 CYS A 45 75.459 10.405 5.770 1.00 0.00 H new ATOM 0 HB3 CYS A 45 76.177 11.960 5.398 1.00 0.00 H new ATOM 0 HG CYS A 45 78.025 10.665 3.489 1.00 0.00 H new ATOM 253 N GLU A 46 77.710 11.697 8.545 1.00 0.00 N ATOM 254 CA GLU A 46 77.317 11.944 9.962 1.00 0.00 C ATOM 255 C GLU A 46 75.901 12.520 10.020 1.00 0.00 C ATOM 256 O GLU A 46 75.111 12.169 10.875 1.00 0.00 O ATOM 257 CB GLU A 46 78.331 12.960 10.486 1.00 0.00 C ATOM 258 CG GLU A 46 78.004 13.297 11.943 1.00 0.00 C ATOM 259 CD GLU A 46 79.288 13.261 12.776 1.00 0.00 C ATOM 260 OE1 GLU A 46 79.890 12.203 12.855 1.00 0.00 O ATOM 261 OE2 GLU A 46 79.645 14.292 13.321 1.00 0.00 O ATOM 0 H GLU A 46 78.483 12.267 8.202 1.00 0.00 H new ATOM 0 HA GLU A 46 77.315 11.030 10.556 1.00 0.00 H new ATOM 0 HB2 GLU A 46 79.340 12.555 10.412 1.00 0.00 H new ATOM 0 HB3 GLU A 46 78.305 13.864 9.877 1.00 0.00 H new ATOM 0 HG2 GLU A 46 77.545 14.284 12.005 1.00 0.00 H new ATOM 0 HG3 GLU A 46 77.281 12.584 12.339 1.00 0.00 H new ATOM 268 N LYS A 47 75.577 13.402 9.118 1.00 0.00 N ATOM 269 CA LYS A 47 74.213 14.004 9.116 1.00 0.00 C ATOM 270 C LYS A 47 73.383 13.431 7.966 1.00 0.00 C ATOM 271 O LYS A 47 72.231 13.776 7.788 1.00 0.00 O ATOM 272 CB LYS A 47 74.443 15.500 8.912 1.00 0.00 C ATOM 273 CG LYS A 47 75.534 15.981 9.868 1.00 0.00 C ATOM 274 CD LYS A 47 75.946 17.406 9.493 1.00 0.00 C ATOM 275 CE LYS A 47 77.427 17.424 9.116 1.00 0.00 C ATOM 276 NZ LYS A 47 77.529 18.426 8.018 1.00 0.00 N ATOM 0 H LYS A 47 76.198 13.734 8.380 1.00 0.00 H new ATOM 0 HA LYS A 47 73.668 13.795 10.037 1.00 0.00 H new ATOM 0 HB2 LYS A 47 74.735 15.697 7.881 1.00 0.00 H new ATOM 0 HB3 LYS A 47 73.519 16.049 9.092 1.00 0.00 H new ATOM 0 HG2 LYS A 47 75.171 15.954 10.895 1.00 0.00 H new ATOM 0 HG3 LYS A 47 76.396 15.316 9.817 1.00 0.00 H new ATOM 0 HD2 LYS A 47 75.343 17.763 8.658 1.00 0.00 H new ATOM 0 HD3 LYS A 47 75.764 18.081 10.329 1.00 0.00 H new ATOM 0 HE2 LYS A 47 78.048 17.705 9.967 1.00 0.00 H new ATOM 0 HE3 LYS A 47 77.763 16.441 8.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 78.518 18.497 7.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 76.932 18.128 7.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 77.208 19.353 8.363 1.00 0.00 H new ATOM 290 N HIS A 48 73.957 12.558 7.183 1.00 0.00 N ATOM 291 CA HIS A 48 73.197 11.964 6.047 1.00 0.00 C ATOM 292 C HIS A 48 72.774 13.060 5.064 1.00 0.00 C ATOM 293 O HIS A 48 71.961 12.844 4.187 1.00 0.00 O ATOM 294 CB HIS A 48 71.976 11.313 6.696 1.00 0.00 C ATOM 295 CG HIS A 48 72.417 10.531 7.904 1.00 0.00 C ATOM 296 ND1 HIS A 48 73.750 10.225 8.134 1.00 0.00 N ATOM 297 CD2 HIS A 48 71.723 9.997 8.961 1.00 0.00 C ATOM 298 CE1 HIS A 48 73.817 9.539 9.289 1.00 0.00 C ATOM 299 NE2 HIS A 48 72.608 9.371 9.835 1.00 0.00 N ATOM 0 H HIS A 48 74.918 12.231 7.281 1.00 0.00 H new ATOM 0 HA HIS A 48 73.787 11.246 5.478 1.00 0.00 H new ATOM 0 HB2 HIS A 48 71.253 12.076 6.985 1.00 0.00 H new ATOM 0 HB3 HIS A 48 71.478 10.655 5.984 1.00 0.00 H new ATOM 0 HD1 HIS A 48 74.537 10.475 7.535 1.00 0.00 H new ATOM 0 HD2 HIS A 48 70.653 10.054 9.095 1.00 0.00 H new ATOM 0 HE1 HIS A 48 74.735 9.169 9.722 1.00 0.00 H new ATOM 307 N GLY A 49 73.324 14.235 5.205 1.00 0.00 N ATOM 308 CA GLY A 49 72.962 15.349 4.281 1.00 0.00 C ATOM 309 C GLY A 49 73.681 15.156 2.942 1.00 0.00 C ATOM 310 O GLY A 49 73.386 15.819 1.969 1.00 0.00 O ATOM 0 H GLY A 49 74.010 14.473 5.922 1.00 0.00 H new ATOM 0 HA2 GLY A 49 71.883 15.372 4.127 1.00 0.00 H new ATOM 0 HA3 GLY A 49 73.241 16.306 4.721 1.00 0.00 H new ATOM 314 N LYS A 50 74.620 14.249 2.884 1.00 0.00 N ATOM 315 CA LYS A 50 75.354 14.011 1.607 1.00 0.00 C ATOM 316 C LYS A 50 75.268 12.541 1.223 1.00 0.00 C ATOM 317 O LYS A 50 75.669 12.148 0.145 1.00 0.00 O ATOM 318 CB LYS A 50 76.801 14.428 1.880 1.00 0.00 C ATOM 319 CG LYS A 50 77.267 13.856 3.220 1.00 0.00 C ATOM 320 CD LYS A 50 76.797 14.764 4.359 1.00 0.00 C ATOM 321 CE LYS A 50 77.999 15.183 5.206 1.00 0.00 C ATOM 322 NZ LYS A 50 78.133 16.649 4.976 1.00 0.00 N ATOM 0 H LYS A 50 74.910 13.662 3.666 1.00 0.00 H new ATOM 0 HA LYS A 50 74.933 14.578 0.777 1.00 0.00 H new ATOM 0 HB2 LYS A 50 77.448 14.072 1.078 1.00 0.00 H new ATOM 0 HB3 LYS A 50 76.879 15.515 1.893 1.00 0.00 H new ATOM 0 HG2 LYS A 50 76.869 12.850 3.356 1.00 0.00 H new ATOM 0 HG3 LYS A 50 78.354 13.773 3.233 1.00 0.00 H new ATOM 0 HD2 LYS A 50 76.299 15.645 3.954 1.00 0.00 H new ATOM 0 HD3 LYS A 50 76.067 14.241 4.977 1.00 0.00 H new ATOM 0 HE2 LYS A 50 77.836 14.961 6.261 1.00 0.00 H new ATOM 0 HE3 LYS A 50 78.901 14.651 4.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 78.938 17.014 5.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 78.293 16.828 3.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 77.262 17.129 5.279 1.00 0.00 H new ATOM 336 N ILE A 51 74.725 11.725 2.077 1.00 0.00 N ATOM 337 CA ILE A 51 74.596 10.294 1.719 1.00 0.00 C ATOM 338 C ILE A 51 73.898 10.195 0.367 1.00 0.00 C ATOM 339 O ILE A 51 74.167 9.310 -0.419 1.00 0.00 O ATOM 340 CB ILE A 51 73.746 9.672 2.827 1.00 0.00 C ATOM 341 CG1 ILE A 51 73.442 8.218 2.472 1.00 0.00 C ATOM 342 CG2 ILE A 51 72.436 10.449 2.969 1.00 0.00 C ATOM 343 CD1 ILE A 51 74.661 7.355 2.803 1.00 0.00 C ATOM 0 H ILE A 51 74.369 11.985 2.997 1.00 0.00 H new ATOM 0 HA ILE A 51 75.555 9.782 1.636 1.00 0.00 H new ATOM 0 HB ILE A 51 74.291 9.713 3.770 1.00 0.00 H new ATOM 0 HG12 ILE A 51 72.572 7.869 3.029 1.00 0.00 H new ATOM 0 HG13 ILE A 51 73.198 8.133 1.413 1.00 0.00 H new ATOM 0 HG21 ILE A 51 71.832 10.003 3.760 1.00 0.00 H new ATOM 0 HG22 ILE A 51 72.654 11.487 3.221 1.00 0.00 H new ATOM 0 HG23 ILE A 51 71.887 10.411 2.028 1.00 0.00 H new ATOM 0 HD11 ILE A 51 74.450 6.316 2.552 1.00 0.00 H new ATOM 0 HD12 ILE A 51 75.519 7.701 2.226 1.00 0.00 H new ATOM 0 HD13 ILE A 51 74.884 7.433 3.867 1.00 0.00 H new ATOM 355 N MET A 52 73.018 11.120 0.078 1.00 0.00 N ATOM 356 CA MET A 52 72.324 11.088 -1.234 1.00 0.00 C ATOM 357 C MET A 52 73.170 11.845 -2.248 1.00 0.00 C ATOM 358 O MET A 52 73.236 11.485 -3.408 1.00 0.00 O ATOM 359 CB MET A 52 70.943 11.753 -1.054 1.00 0.00 C ATOM 360 CG MET A 52 70.488 11.757 0.418 1.00 0.00 C ATOM 361 SD MET A 52 70.422 13.463 1.038 1.00 0.00 S ATOM 362 CE MET A 52 72.052 14.020 0.473 1.00 0.00 C ATOM 0 H MET A 52 72.755 11.890 0.693 1.00 0.00 H new ATOM 0 HA MET A 52 72.186 10.068 -1.593 1.00 0.00 H new ATOM 0 HB2 MET A 52 70.984 12.778 -1.423 1.00 0.00 H new ATOM 0 HB3 MET A 52 70.206 11.226 -1.659 1.00 0.00 H new ATOM 0 HG2 MET A 52 69.507 11.290 0.506 1.00 0.00 H new ATOM 0 HG3 MET A 52 71.177 11.167 1.023 1.00 0.00 H new ATOM 0 HE1 MET A 52 72.209 15.055 0.778 1.00 0.00 H new ATOM 0 HE2 MET A 52 72.825 13.390 0.914 1.00 0.00 H new ATOM 0 HE3 MET A 52 72.104 13.951 -0.614 1.00 0.00 H new ATOM 372 N GLU A 53 73.877 12.847 -1.810 1.00 0.00 N ATOM 373 CA GLU A 53 74.775 13.556 -2.745 1.00 0.00 C ATOM 374 C GLU A 53 75.829 12.538 -3.117 1.00 0.00 C ATOM 375 O GLU A 53 76.354 12.517 -4.213 1.00 0.00 O ATOM 376 CB GLU A 53 75.371 14.726 -1.964 1.00 0.00 C ATOM 377 CG GLU A 53 75.138 16.020 -2.745 1.00 0.00 C ATOM 378 CD GLU A 53 75.414 17.223 -1.839 1.00 0.00 C ATOM 379 OE1 GLU A 53 76.574 17.478 -1.564 1.00 0.00 O ATOM 380 OE2 GLU A 53 74.460 17.866 -1.434 1.00 0.00 O ATOM 0 H GLU A 53 73.869 13.200 -0.853 1.00 0.00 H new ATOM 0 HA GLU A 53 74.295 13.944 -3.644 1.00 0.00 H new ATOM 0 HB2 GLU A 53 74.910 14.794 -0.978 1.00 0.00 H new ATOM 0 HB3 GLU A 53 76.438 14.569 -1.807 1.00 0.00 H new ATOM 0 HG2 GLU A 53 75.790 16.052 -3.618 1.00 0.00 H new ATOM 0 HG3 GLU A 53 74.112 16.056 -3.112 1.00 0.00 H new ATOM 387 N ALA A 54 76.091 11.641 -2.200 1.00 0.00 N ATOM 388 CA ALA A 54 77.056 10.555 -2.484 1.00 0.00 C ATOM 389 C ALA A 54 76.370 9.598 -3.448 1.00 0.00 C ATOM 390 O ALA A 54 76.979 9.028 -4.328 1.00 0.00 O ATOM 391 CB ALA A 54 77.326 9.884 -1.138 1.00 0.00 C ATOM 0 H ALA A 54 75.674 11.620 -1.269 1.00 0.00 H new ATOM 0 HA ALA A 54 77.992 10.893 -2.928 1.00 0.00 H new ATOM 0 HB1 ALA A 54 78.035 9.067 -1.274 1.00 0.00 H new ATOM 0 HB2 ALA A 54 77.743 10.614 -0.444 1.00 0.00 H new ATOM 0 HB3 ALA A 54 76.393 9.491 -0.734 1.00 0.00 H new ATOM 397 N MET A 55 75.080 9.454 -3.299 1.00 0.00 N ATOM 398 CA MET A 55 74.314 8.571 -4.220 1.00 0.00 C ATOM 399 C MET A 55 74.221 9.247 -5.588 1.00 0.00 C ATOM 400 O MET A 55 74.279 8.607 -6.620 1.00 0.00 O ATOM 401 CB MET A 55 72.925 8.448 -3.593 1.00 0.00 C ATOM 402 CG MET A 55 73.007 7.596 -2.328 1.00 0.00 C ATOM 403 SD MET A 55 71.841 6.220 -2.459 1.00 0.00 S ATOM 404 CE MET A 55 71.378 6.163 -0.712 1.00 0.00 C ATOM 0 H MET A 55 74.524 9.912 -2.577 1.00 0.00 H new ATOM 0 HA MET A 55 74.779 7.595 -4.357 1.00 0.00 H new ATOM 0 HB2 MET A 55 72.535 9.437 -3.353 1.00 0.00 H new ATOM 0 HB3 MET A 55 72.233 7.996 -4.304 1.00 0.00 H new ATOM 0 HG2 MET A 55 74.021 7.218 -2.195 1.00 0.00 H new ATOM 0 HG3 MET A 55 72.776 8.202 -1.452 1.00 0.00 H new ATOM 0 HE1 MET A 55 70.884 5.215 -0.497 1.00 0.00 H new ATOM 0 HE2 MET A 55 72.272 6.254 -0.095 1.00 0.00 H new ATOM 0 HE3 MET A 55 70.698 6.985 -0.489 1.00 0.00 H new ATOM 414 N GLU A 56 74.081 10.546 -5.597 1.00 0.00 N ATOM 415 CA GLU A 56 73.988 11.287 -6.886 1.00 0.00 C ATOM 416 C GLU A 56 75.379 11.425 -7.508 1.00 0.00 C ATOM 417 O GLU A 56 75.668 10.842 -8.529 1.00 0.00 O ATOM 418 CB GLU A 56 73.433 12.660 -6.515 1.00 0.00 C ATOM 419 CG GLU A 56 71.930 12.549 -6.259 1.00 0.00 C ATOM 420 CD GLU A 56 71.463 13.751 -5.439 1.00 0.00 C ATOM 421 OE1 GLU A 56 72.102 14.787 -5.529 1.00 0.00 O ATOM 422 OE2 GLU A 56 70.476 13.617 -4.735 1.00 0.00 O ATOM 0 H GLU A 56 74.027 11.128 -4.761 1.00 0.00 H new ATOM 0 HA GLU A 56 73.357 10.777 -7.614 1.00 0.00 H new ATOM 0 HB2 GLU A 56 73.937 13.040 -5.626 1.00 0.00 H new ATOM 0 HB3 GLU A 56 73.624 13.371 -7.319 1.00 0.00 H new ATOM 0 HG2 GLU A 56 71.391 12.509 -7.206 1.00 0.00 H new ATOM 0 HG3 GLU A 56 71.708 11.624 -5.727 1.00 0.00 H new ATOM 429 N LYS A 57 76.239 12.192 -6.897 1.00 0.00 N ATOM 430 CA LYS A 57 77.613 12.367 -7.452 1.00 0.00 C ATOM 431 C LYS A 57 78.154 11.029 -7.967 1.00 0.00 C ATOM 432 O LYS A 57 78.642 10.926 -9.076 1.00 0.00 O ATOM 433 CB LYS A 57 78.453 12.854 -6.273 1.00 0.00 C ATOM 434 CG LYS A 57 78.303 14.369 -6.124 1.00 0.00 C ATOM 435 CD LYS A 57 79.655 14.973 -5.743 1.00 0.00 C ATOM 436 CE LYS A 57 79.712 16.436 -6.186 1.00 0.00 C ATOM 437 NZ LYS A 57 79.586 17.224 -4.928 1.00 0.00 N ATOM 0 H LYS A 57 76.051 12.706 -6.036 1.00 0.00 H new ATOM 0 HA LYS A 57 77.631 13.064 -8.290 1.00 0.00 H new ATOM 0 HB2 LYS A 57 78.135 12.356 -5.357 1.00 0.00 H new ATOM 0 HB3 LYS A 57 79.500 12.596 -6.429 1.00 0.00 H new ATOM 0 HG2 LYS A 57 77.947 14.805 -7.057 1.00 0.00 H new ATOM 0 HG3 LYS A 57 77.560 14.600 -5.360 1.00 0.00 H new ATOM 0 HD2 LYS A 57 79.804 14.904 -4.665 1.00 0.00 H new ATOM 0 HD3 LYS A 57 80.461 14.409 -6.213 1.00 0.00 H new ATOM 0 HE2 LYS A 57 80.648 16.657 -6.698 1.00 0.00 H new ATOM 0 HE3 LYS A 57 78.905 16.670 -6.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 78.825 17.925 -5.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 79.362 16.585 -4.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 80.483 17.713 -4.733 1.00 0.00 H new ATOM 451 N LEU A 58 78.079 10.011 -7.158 1.00 0.00 N ATOM 452 CA LEU A 58 78.595 8.672 -7.571 1.00 0.00 C ATOM 453 C LEU A 58 77.803 8.096 -8.755 1.00 0.00 C ATOM 454 O LEU A 58 78.366 7.509 -9.658 1.00 0.00 O ATOM 455 CB LEU A 58 78.401 7.792 -6.337 1.00 0.00 C ATOM 456 CG LEU A 58 79.272 8.311 -5.190 1.00 0.00 C ATOM 457 CD1 LEU A 58 79.013 7.476 -3.935 1.00 0.00 C ATOM 458 CD2 LEU A 58 80.746 8.201 -5.576 1.00 0.00 C ATOM 0 H LEU A 58 77.680 10.047 -6.220 1.00 0.00 H new ATOM 0 HA LEU A 58 79.633 8.729 -7.900 1.00 0.00 H new ATOM 0 HB2 LEU A 58 77.352 7.793 -6.039 1.00 0.00 H new ATOM 0 HB3 LEU A 58 78.666 6.760 -6.569 1.00 0.00 H new ATOM 0 HG LEU A 58 79.025 9.354 -4.992 1.00 0.00 H new ATOM 0 HD11 LEU A 58 79.633 7.845 -3.118 1.00 0.00 H new ATOM 0 HD12 LEU A 58 77.962 7.554 -3.657 1.00 0.00 H new ATOM 0 HD13 LEU A 58 79.259 6.433 -4.135 1.00 0.00 H new ATOM 0 HD21 LEU A 58 81.365 8.571 -4.758 1.00 0.00 H new ATOM 0 HD22 LEU A 58 80.993 7.158 -5.775 1.00 0.00 H new ATOM 0 HD23 LEU A 58 80.933 8.795 -6.470 1.00 0.00 H new ATOM 470 N LYS A 59 76.505 8.231 -8.749 1.00 0.00 N ATOM 471 CA LYS A 59 75.689 7.660 -9.863 1.00 0.00 C ATOM 472 C LYS A 59 75.609 8.630 -11.049 1.00 0.00 C ATOM 473 O LYS A 59 75.490 8.224 -12.188 1.00 0.00 O ATOM 474 CB LYS A 59 74.306 7.429 -9.249 1.00 0.00 C ATOM 475 CG LYS A 59 73.518 8.738 -9.248 1.00 0.00 C ATOM 476 CD LYS A 59 72.105 8.488 -8.715 1.00 0.00 C ATOM 477 CE LYS A 59 71.176 9.609 -9.187 1.00 0.00 C ATOM 478 NZ LYS A 59 70.262 8.961 -10.170 1.00 0.00 N ATOM 0 H LYS A 59 75.973 8.711 -8.023 1.00 0.00 H new ATOM 0 HA LYS A 59 76.124 6.743 -10.260 1.00 0.00 H new ATOM 0 HB2 LYS A 59 73.768 6.670 -9.816 1.00 0.00 H new ATOM 0 HB3 LYS A 59 74.408 7.054 -8.231 1.00 0.00 H new ATOM 0 HG2 LYS A 59 74.025 9.479 -8.629 1.00 0.00 H new ATOM 0 HG3 LYS A 59 73.470 9.146 -10.258 1.00 0.00 H new ATOM 0 HD2 LYS A 59 71.737 7.524 -9.067 1.00 0.00 H new ATOM 0 HD3 LYS A 59 72.118 8.446 -7.626 1.00 0.00 H new ATOM 0 HE2 LYS A 59 70.620 10.038 -8.354 1.00 0.00 H new ATOM 0 HE3 LYS A 59 71.739 10.421 -9.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 69.593 9.667 -10.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 70.819 8.567 -10.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 69.735 8.196 -9.702 1.00 0.00 H new ATOM 492 N SER A 60 75.673 9.904 -10.791 1.00 0.00 N ATOM 493 CA SER A 60 75.599 10.896 -11.904 1.00 0.00 C ATOM 494 C SER A 60 76.905 10.876 -12.687 1.00 0.00 C ATOM 495 O SER A 60 76.930 10.639 -13.879 1.00 0.00 O ATOM 496 CB SER A 60 75.406 12.253 -11.226 1.00 0.00 C ATOM 497 OG SER A 60 74.355 12.165 -10.279 1.00 0.00 O ATOM 0 H SER A 60 75.773 10.305 -9.858 1.00 0.00 H new ATOM 0 HA SER A 60 74.791 10.679 -12.602 1.00 0.00 H new ATOM 0 HB2 SER A 60 76.329 12.559 -10.733 1.00 0.00 H new ATOM 0 HB3 SER A 60 75.175 13.014 -11.971 1.00 0.00 H new ATOM 0 HG SER A 60 74.501 11.389 -9.699 1.00 0.00 H new ATOM 503 N GLY A 61 77.994 11.114 -12.019 1.00 0.00 N ATOM 504 CA GLY A 61 79.304 11.097 -12.712 1.00 0.00 C ATOM 505 C GLY A 61 80.286 12.026 -11.996 1.00 0.00 C ATOM 506 O GLY A 61 81.110 12.665 -12.619 1.00 0.00 O ATOM 0 H GLY A 61 78.032 11.320 -11.021 1.00 0.00 H new ATOM 0 HA2 GLY A 61 79.700 10.082 -12.733 1.00 0.00 H new ATOM 0 HA3 GLY A 61 79.181 11.413 -13.748 1.00 0.00 H new ATOM 510 N MET A 62 80.216 12.104 -10.695 1.00 0.00 N ATOM 511 CA MET A 62 81.160 12.987 -9.960 1.00 0.00 C ATOM 512 C MET A 62 82.252 12.141 -9.312 1.00 0.00 C ATOM 513 O MET A 62 82.198 10.927 -9.327 1.00 0.00 O ATOM 514 CB MET A 62 80.311 13.673 -8.892 1.00 0.00 C ATOM 515 CG MET A 62 80.177 15.159 -9.221 1.00 0.00 C ATOM 516 SD MET A 62 79.094 15.365 -10.655 1.00 0.00 S ATOM 517 CE MET A 62 77.525 15.349 -9.752 1.00 0.00 C ATOM 0 H MET A 62 79.549 11.597 -10.113 1.00 0.00 H new ATOM 0 HA MET A 62 81.651 13.710 -10.611 1.00 0.00 H new ATOM 0 HB2 MET A 62 79.325 13.210 -8.844 1.00 0.00 H new ATOM 0 HB3 MET A 62 80.770 13.547 -7.912 1.00 0.00 H new ATOM 0 HG2 MET A 62 79.770 15.697 -8.365 1.00 0.00 H new ATOM 0 HG3 MET A 62 81.158 15.586 -9.429 1.00 0.00 H new ATOM 0 HE1 MET A 62 76.784 15.930 -10.301 1.00 0.00 H new ATOM 0 HE2 MET A 62 77.176 14.322 -9.647 1.00 0.00 H new ATOM 0 HE3 MET A 62 77.669 15.786 -8.764 1.00 0.00 H new ATOM 527 N ARG A 63 83.235 12.768 -8.740 1.00 0.00 N ATOM 528 CA ARG A 63 84.326 12.000 -8.082 1.00 0.00 C ATOM 529 C ARG A 63 83.758 10.828 -7.305 1.00 0.00 C ATOM 530 O ARG A 63 82.707 10.927 -6.722 1.00 0.00 O ATOM 531 CB ARG A 63 84.925 12.957 -7.071 1.00 0.00 C ATOM 532 CG ARG A 63 85.421 14.216 -7.751 1.00 0.00 C ATOM 533 CD ARG A 63 84.788 15.429 -7.059 1.00 0.00 C ATOM 534 NE ARG A 63 85.869 16.455 -7.017 1.00 0.00 N ATOM 535 CZ ARG A 63 85.631 17.632 -6.506 1.00 0.00 C ATOM 536 NH1 ARG A 63 85.111 17.732 -5.314 1.00 0.00 N ATOM 537 NH2 ARG A 63 85.913 18.708 -7.188 1.00 0.00 N ATOM 0 H ARG A 63 83.332 13.782 -8.698 1.00 0.00 H new ATOM 0 HA ARG A 63 85.038 11.626 -8.818 1.00 0.00 H new ATOM 0 HB2 ARG A 63 84.178 13.214 -6.320 1.00 0.00 H new ATOM 0 HB3 ARG A 63 85.749 12.472 -6.548 1.00 0.00 H new ATOM 0 HG2 ARG A 63 86.508 14.273 -7.694 1.00 0.00 H new ATOM 0 HG3 ARG A 63 85.157 14.204 -8.808 1.00 0.00 H new ATOM 0 HD2 ARG A 63 83.921 15.791 -7.612 1.00 0.00 H new ATOM 0 HD3 ARG A 63 84.444 15.177 -6.056 1.00 0.00 H new ATOM 0 HE ARG A 63 86.794 16.237 -7.387 1.00 0.00 H new ATOM 0 HH11 ARG A 63 84.891 16.890 -4.782 1.00 0.00 H new ATOM 0 HH12 ARG A 63 84.925 18.652 -4.914 1.00 0.00 H new ATOM 0 HH21 ARG A 63 86.319 18.629 -8.120 1.00 0.00 H new ATOM 0 HH22 ARG A 63 85.727 19.628 -6.789 1.00 0.00 H new ATOM 551 N PHE A 64 84.457 9.740 -7.247 1.00 0.00 N ATOM 552 CA PHE A 64 83.966 8.609 -6.432 1.00 0.00 C ATOM 553 C PHE A 64 84.548 8.753 -5.025 1.00 0.00 C ATOM 554 O PHE A 64 83.905 8.475 -4.026 1.00 0.00 O ATOM 555 CB PHE A 64 84.504 7.350 -7.115 1.00 0.00 C ATOM 556 CG PHE A 64 83.401 6.684 -7.902 1.00 0.00 C ATOM 557 CD1 PHE A 64 82.533 5.787 -7.269 1.00 0.00 C ATOM 558 CD2 PHE A 64 83.249 6.961 -9.266 1.00 0.00 C ATOM 559 CE1 PHE A 64 81.513 5.165 -8.000 1.00 0.00 C ATOM 560 CE2 PHE A 64 82.230 6.339 -9.997 1.00 0.00 C ATOM 561 CZ PHE A 64 81.363 5.441 -9.365 1.00 0.00 C ATOM 0 H PHE A 64 85.344 9.585 -7.726 1.00 0.00 H new ATOM 0 HA PHE A 64 82.880 8.572 -6.353 1.00 0.00 H new ATOM 0 HB2 PHE A 64 85.330 7.609 -7.777 1.00 0.00 H new ATOM 0 HB3 PHE A 64 84.898 6.660 -6.369 1.00 0.00 H new ATOM 0 HD1 PHE A 64 82.650 5.574 -6.217 1.00 0.00 H new ATOM 0 HD2 PHE A 64 83.918 7.654 -9.754 1.00 0.00 H new ATOM 0 HE1 PHE A 64 80.843 4.473 -7.512 1.00 0.00 H new ATOM 0 HE2 PHE A 64 82.113 6.552 -11.049 1.00 0.00 H new ATOM 0 HZ PHE A 64 80.578 4.960 -9.930 1.00 0.00 H new ATOM 571 N ASN A 65 85.785 9.180 -4.952 1.00 0.00 N ATOM 572 CA ASN A 65 86.451 9.326 -3.630 1.00 0.00 C ATOM 573 C ASN A 65 86.256 10.721 -3.033 1.00 0.00 C ATOM 574 O ASN A 65 86.066 10.848 -1.846 1.00 0.00 O ATOM 575 CB ASN A 65 87.926 9.047 -3.895 1.00 0.00 C ATOM 576 CG ASN A 65 88.513 10.165 -4.761 1.00 0.00 C ATOM 577 OD1 ASN A 65 88.672 11.280 -4.308 1.00 0.00 O ATOM 578 ND2 ASN A 65 88.842 9.910 -5.999 1.00 0.00 N ATOM 0 H ASN A 65 86.360 9.433 -5.756 1.00 0.00 H new ATOM 0 HA ASN A 65 86.024 8.640 -2.899 1.00 0.00 H new ATOM 0 HB2 ASN A 65 88.469 8.980 -2.952 1.00 0.00 H new ATOM 0 HB3 ASN A 65 88.040 8.086 -4.397 1.00 0.00 H new ATOM 0 HD21 ASN A 65 89.233 10.648 -6.585 1.00 0.00 H new ATOM 0 HD22 ASN A 65 88.708 8.973 -6.380 1.00 0.00 H new ATOM 585 N GLU A 66 86.293 11.773 -3.813 1.00 0.00 N ATOM 586 CA GLU A 66 86.089 13.117 -3.193 1.00 0.00 C ATOM 587 C GLU A 66 84.836 13.025 -2.339 1.00 0.00 C ATOM 588 O GLU A 66 84.855 13.265 -1.149 1.00 0.00 O ATOM 589 CB GLU A 66 85.904 14.107 -4.342 1.00 0.00 C ATOM 590 CG GLU A 66 87.149 14.097 -5.234 1.00 0.00 C ATOM 591 CD GLU A 66 88.389 14.381 -4.384 1.00 0.00 C ATOM 592 OE1 GLU A 66 88.438 15.436 -3.775 1.00 0.00 O ATOM 593 OE2 GLU A 66 89.271 13.538 -4.361 1.00 0.00 O ATOM 0 H GLU A 66 86.450 11.763 -4.821 1.00 0.00 H new ATOM 0 HA GLU A 66 86.923 13.439 -2.570 1.00 0.00 H new ATOM 0 HB2 GLU A 66 85.023 13.841 -4.927 1.00 0.00 H new ATOM 0 HB3 GLU A 66 85.734 15.109 -3.948 1.00 0.00 H new ATOM 0 HG2 GLU A 66 87.247 13.130 -5.728 1.00 0.00 H new ATOM 0 HG3 GLU A 66 87.053 14.848 -6.018 1.00 0.00 H new ATOM 600 N VAL A 67 83.754 12.607 -2.928 1.00 0.00 N ATOM 601 CA VAL A 67 82.524 12.419 -2.127 1.00 0.00 C ATOM 602 C VAL A 67 82.903 11.570 -0.919 1.00 0.00 C ATOM 603 O VAL A 67 83.061 12.068 0.177 1.00 0.00 O ATOM 604 CB VAL A 67 81.531 11.631 -2.995 1.00 0.00 C ATOM 605 CG1 VAL A 67 80.683 12.583 -3.829 1.00 0.00 C ATOM 606 CG2 VAL A 67 82.267 10.669 -3.914 1.00 0.00 C ATOM 0 H VAL A 67 83.671 12.390 -3.921 1.00 0.00 H new ATOM 0 HA VAL A 67 82.088 13.367 -1.811 1.00 0.00 H new ATOM 0 HB VAL A 67 80.882 11.060 -2.331 1.00 0.00 H new ATOM 0 HG11 VAL A 67 79.985 12.009 -4.438 1.00 0.00 H new ATOM 0 HG12 VAL A 67 80.127 13.248 -3.169 1.00 0.00 H new ATOM 0 HG13 VAL A 67 81.330 13.174 -4.478 1.00 0.00 H new ATOM 0 HG21 VAL A 67 81.546 10.121 -4.520 1.00 0.00 H new ATOM 0 HG22 VAL A 67 82.937 11.229 -4.566 1.00 0.00 H new ATOM 0 HG23 VAL A 67 82.847 9.966 -3.316 1.00 0.00 H new ATOM 616 N ALA A 68 83.066 10.280 -1.132 1.00 0.00 N ATOM 617 CA ALA A 68 83.453 9.358 -0.036 1.00 0.00 C ATOM 618 C ALA A 68 84.377 10.067 0.930 1.00 0.00 C ATOM 619 O ALA A 68 84.297 9.891 2.127 1.00 0.00 O ATOM 620 CB ALA A 68 84.204 8.240 -0.739 1.00 0.00 C ATOM 0 H ALA A 68 82.942 9.831 -2.039 1.00 0.00 H new ATOM 0 HA ALA A 68 82.597 8.999 0.535 1.00 0.00 H new ATOM 0 HB1 ALA A 68 84.532 7.504 -0.005 1.00 0.00 H new ATOM 0 HB2 ALA A 68 83.547 7.760 -1.464 1.00 0.00 H new ATOM 0 HB3 ALA A 68 85.072 8.652 -1.253 1.00 0.00 H new ATOM 626 N ALA A 69 85.245 10.889 0.415 1.00 0.00 N ATOM 627 CA ALA A 69 86.156 11.626 1.308 1.00 0.00 C ATOM 628 C ALA A 69 85.324 12.208 2.434 1.00 0.00 C ATOM 629 O ALA A 69 85.308 11.687 3.531 1.00 0.00 O ATOM 630 CB ALA A 69 86.790 12.722 0.448 1.00 0.00 C ATOM 0 H ALA A 69 85.358 11.077 -0.581 1.00 0.00 H new ATOM 0 HA ALA A 69 86.936 11.005 1.749 1.00 0.00 H new ATOM 0 HB1 ALA A 69 87.480 13.308 1.055 1.00 0.00 H new ATOM 0 HB2 ALA A 69 87.333 12.266 -0.380 1.00 0.00 H new ATOM 0 HB3 ALA A 69 86.009 13.374 0.056 1.00 0.00 H new ATOM 636 N GLN A 70 84.603 13.260 2.184 1.00 0.00 N ATOM 637 CA GLN A 70 83.765 13.793 3.284 1.00 0.00 C ATOM 638 C GLN A 70 82.372 13.223 3.284 1.00 0.00 C ATOM 639 O GLN A 70 81.770 13.057 4.326 1.00 0.00 O ATOM 640 CB GLN A 70 83.735 15.292 3.176 1.00 0.00 C ATOM 641 CG GLN A 70 84.613 15.820 4.318 1.00 0.00 C ATOM 642 CD GLN A 70 84.032 15.320 5.668 1.00 0.00 C ATOM 643 OE1 GLN A 70 84.373 14.134 6.161 1.00 0.00 O flip ATOM 644 NE2 GLN A 70 83.254 16.018 6.287 1.00 0.00 N flip ATOM 0 H GLN A 70 84.557 13.760 1.296 1.00 0.00 H new ATOM 0 HA GLN A 70 84.208 13.491 4.233 1.00 0.00 H new ATOM 0 HB2 GLN A 70 84.115 15.620 2.209 1.00 0.00 H new ATOM 0 HB3 GLN A 70 82.716 15.668 3.262 1.00 0.00 H new ATOM 0 HG2 GLN A 70 85.639 15.472 4.197 1.00 0.00 H new ATOM 0 HG3 GLN A 70 84.641 16.909 4.300 1.00 0.00 H new ATOM 0 HE21 GLN A 70 82.984 16.930 5.920 1.00 0.00 H new ATOM 0 HE22 GLN A 70 82.871 15.692 7.174 1.00 0.00 H new ATOM 653 N TYR A 71 81.837 12.925 2.138 1.00 0.00 N ATOM 654 CA TYR A 71 80.469 12.367 2.118 1.00 0.00 C ATOM 655 C TYR A 71 80.440 11.271 3.167 1.00 0.00 C ATOM 656 O TYR A 71 79.451 11.035 3.829 1.00 0.00 O ATOM 657 CB TYR A 71 80.242 11.864 0.701 1.00 0.00 C ATOM 658 CG TYR A 71 79.962 13.053 -0.202 1.00 0.00 C ATOM 659 CD1 TYR A 71 80.597 14.303 0.006 1.00 0.00 C ATOM 660 CD2 TYR A 71 79.052 12.907 -1.254 1.00 0.00 C ATOM 661 CE1 TYR A 71 80.309 15.377 -0.844 1.00 0.00 C ATOM 662 CE2 TYR A 71 78.770 13.987 -2.098 1.00 0.00 C ATOM 663 CZ TYR A 71 79.397 15.220 -1.895 1.00 0.00 C ATOM 664 OH TYR A 71 79.117 16.282 -2.729 1.00 0.00 O ATOM 0 H TYR A 71 82.283 13.042 1.228 1.00 0.00 H new ATOM 0 HA TYR A 71 79.675 13.075 2.356 1.00 0.00 H new ATOM 0 HB2 TYR A 71 81.119 11.321 0.348 1.00 0.00 H new ATOM 0 HB3 TYR A 71 79.404 11.167 0.678 1.00 0.00 H new ATOM 0 HD1 TYR A 71 81.300 14.426 0.817 1.00 0.00 H new ATOM 0 HD2 TYR A 71 78.565 11.957 -1.416 1.00 0.00 H new ATOM 0 HE1 TYR A 71 80.792 16.330 -0.689 1.00 0.00 H new ATOM 0 HE2 TYR A 71 78.066 13.868 -2.908 1.00 0.00 H new ATOM 0 HH TYR A 71 78.292 16.721 -2.434 1.00 0.00 H new ATOM 674 N SER A 72 81.578 10.666 3.374 1.00 0.00 N ATOM 675 CA SER A 72 81.689 9.654 4.445 1.00 0.00 C ATOM 676 C SER A 72 81.868 10.410 5.770 1.00 0.00 C ATOM 677 O SER A 72 81.293 11.463 5.962 1.00 0.00 O ATOM 678 CB SER A 72 82.935 8.832 4.108 1.00 0.00 C ATOM 679 OG SER A 72 84.098 9.584 4.423 1.00 0.00 O ATOM 0 H SER A 72 82.433 10.834 2.843 1.00 0.00 H new ATOM 0 HA SER A 72 80.819 9.003 4.529 1.00 0.00 H new ATOM 0 HB2 SER A 72 82.930 7.898 4.669 1.00 0.00 H new ATOM 0 HB3 SER A 72 82.935 8.568 3.050 1.00 0.00 H new ATOM 0 HG SER A 72 84.315 10.179 3.675 1.00 0.00 H new ATOM 685 N GLU A 73 82.644 9.903 6.689 1.00 0.00 N ATOM 686 CA GLU A 73 82.821 10.628 7.982 1.00 0.00 C ATOM 687 C GLU A 73 84.297 10.630 8.396 1.00 0.00 C ATOM 688 O GLU A 73 84.658 11.155 9.429 1.00 0.00 O ATOM 689 CB GLU A 73 81.981 9.818 8.971 1.00 0.00 C ATOM 690 CG GLU A 73 82.583 9.891 10.374 1.00 0.00 C ATOM 691 CD GLU A 73 82.544 11.336 10.876 1.00 0.00 C ATOM 692 OE1 GLU A 73 81.699 12.083 10.409 1.00 0.00 O ATOM 693 OE2 GLU A 73 83.359 11.671 11.720 1.00 0.00 O ATOM 0 H GLU A 73 83.159 9.027 6.603 1.00 0.00 H new ATOM 0 HA GLU A 73 82.517 11.673 7.930 1.00 0.00 H new ATOM 0 HB2 GLU A 73 80.960 10.200 8.987 1.00 0.00 H new ATOM 0 HB3 GLU A 73 81.928 8.779 8.646 1.00 0.00 H new ATOM 0 HG2 GLU A 73 82.027 9.245 11.053 1.00 0.00 H new ATOM 0 HG3 GLU A 73 83.611 9.528 10.359 1.00 0.00 H new ATOM 700 N ASP A 74 85.139 10.038 7.605 1.00 0.00 N ATOM 701 CA ASP A 74 86.589 9.982 7.955 1.00 0.00 C ATOM 702 C ASP A 74 87.354 9.201 6.882 1.00 0.00 C ATOM 703 O ASP A 74 88.080 9.767 6.089 1.00 0.00 O ATOM 704 CB ASP A 74 86.646 9.238 9.295 1.00 0.00 C ATOM 705 CG ASP A 74 88.068 9.307 9.857 1.00 0.00 C ATOM 706 OD1 ASP A 74 88.467 10.382 10.273 1.00 0.00 O ATOM 707 OD2 ASP A 74 88.732 8.284 9.860 1.00 0.00 O ATOM 0 H ASP A 74 84.889 9.586 6.725 1.00 0.00 H new ATOM 0 HA ASP A 74 87.039 10.973 8.018 1.00 0.00 H new ATOM 0 HB2 ASP A 74 85.943 9.682 10.000 1.00 0.00 H new ATOM 0 HB3 ASP A 74 86.347 8.199 9.159 1.00 0.00 H new ATOM 712 N LYS A 75 87.191 7.905 6.847 1.00 0.00 N ATOM 713 CA LYS A 75 87.902 7.095 5.820 1.00 0.00 C ATOM 714 C LYS A 75 87.456 7.537 4.427 1.00 0.00 C ATOM 715 O LYS A 75 86.391 8.095 4.257 1.00 0.00 O ATOM 716 CB LYS A 75 87.478 5.650 6.088 1.00 0.00 C ATOM 717 CG LYS A 75 88.717 4.752 6.120 1.00 0.00 C ATOM 718 CD LYS A 75 89.416 4.800 4.761 1.00 0.00 C ATOM 719 CE LYS A 75 90.036 3.434 4.460 1.00 0.00 C ATOM 720 NZ LYS A 75 90.905 3.144 5.636 1.00 0.00 N ATOM 0 H LYS A 75 86.597 7.375 7.485 1.00 0.00 H new ATOM 0 HA LYS A 75 88.985 7.210 5.868 1.00 0.00 H new ATOM 0 HB2 LYS A 75 86.945 5.586 7.037 1.00 0.00 H new ATOM 0 HB3 LYS A 75 86.791 5.312 5.313 1.00 0.00 H new ATOM 0 HG2 LYS A 75 89.399 5.083 6.904 1.00 0.00 H new ATOM 0 HG3 LYS A 75 88.431 3.727 6.358 1.00 0.00 H new ATOM 0 HD2 LYS A 75 88.702 5.067 3.982 1.00 0.00 H new ATOM 0 HD3 LYS A 75 90.188 5.569 4.764 1.00 0.00 H new ATOM 0 HE2 LYS A 75 89.269 2.670 4.337 1.00 0.00 H new ATOM 0 HE3 LYS A 75 90.614 3.457 3.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 91.671 2.501 5.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 91.312 4.031 5.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 90.338 2.697 6.385 1.00 0.00 H new ATOM 799 N ASP A 81 87.521 2.102 0.715 1.00 0.00 N ATOM 800 CA ASP A 81 87.913 0.754 0.214 1.00 0.00 C ATOM 801 C ASP A 81 88.681 -0.028 1.286 1.00 0.00 C ATOM 802 O ASP A 81 89.878 -0.215 1.192 1.00 0.00 O ATOM 803 CB ASP A 81 88.814 1.035 -0.989 1.00 0.00 C ATOM 804 CG ASP A 81 89.991 1.907 -0.550 1.00 0.00 C ATOM 805 OD1 ASP A 81 90.045 2.249 0.620 1.00 0.00 O ATOM 806 OD2 ASP A 81 90.818 2.219 -1.391 1.00 0.00 O ATOM 0 HA ASP A 81 87.045 0.148 -0.047 1.00 0.00 H new ATOM 0 HB2 ASP A 81 89.179 0.098 -1.411 1.00 0.00 H new ATOM 0 HB3 ASP A 81 88.247 1.538 -1.772 1.00 0.00 H new ATOM 811 N LEU A 82 88.004 -0.493 2.304 1.00 0.00 N ATOM 812 CA LEU A 82 88.702 -1.266 3.370 1.00 0.00 C ATOM 813 C LEU A 82 89.606 -2.331 2.742 1.00 0.00 C ATOM 814 O LEU A 82 90.606 -2.724 3.310 1.00 0.00 O ATOM 815 CB LEU A 82 87.584 -1.927 4.174 1.00 0.00 C ATOM 816 CG LEU A 82 87.219 -1.040 5.362 1.00 0.00 C ATOM 817 CD1 LEU A 82 86.203 0.013 4.921 1.00 0.00 C ATOM 818 CD2 LEU A 82 86.614 -1.900 6.474 1.00 0.00 C ATOM 0 H LEU A 82 87.001 -0.370 2.442 1.00 0.00 H new ATOM 0 HA LEU A 82 89.335 -0.633 3.992 1.00 0.00 H new ATOM 0 HB2 LEU A 82 86.710 -2.084 3.541 1.00 0.00 H new ATOM 0 HB3 LEU A 82 87.904 -2.908 4.524 1.00 0.00 H new ATOM 0 HG LEU A 82 88.116 -0.544 5.733 1.00 0.00 H new ATOM 0 HD11 LEU A 82 85.943 0.646 5.770 1.00 0.00 H new ATOM 0 HD12 LEU A 82 86.635 0.626 4.130 1.00 0.00 H new ATOM 0 HD13 LEU A 82 85.306 -0.481 4.548 1.00 0.00 H new ATOM 0 HD21 LEU A 82 86.353 -1.267 7.322 1.00 0.00 H new ATOM 0 HD22 LEU A 82 85.718 -2.397 6.103 1.00 0.00 H new ATOM 0 HD23 LEU A 82 87.340 -2.649 6.790 1.00 0.00 H new ATOM 830 N GLY A 83 89.257 -2.803 1.577 1.00 0.00 N ATOM 831 CA GLY A 83 90.091 -3.844 0.914 1.00 0.00 C ATOM 832 C GLY A 83 89.381 -5.196 1.008 1.00 0.00 C ATOM 833 O GLY A 83 88.376 -5.336 1.677 1.00 0.00 O ATOM 0 H GLY A 83 88.430 -2.512 1.056 1.00 0.00 H new ATOM 0 HA2 GLY A 83 90.260 -3.581 -0.130 1.00 0.00 H new ATOM 0 HA3 GLY A 83 91.070 -3.900 1.391 1.00 0.00 H new ATOM 837 N TRP A 84 89.894 -6.194 0.343 1.00 0.00 N ATOM 838 CA TRP A 84 89.248 -7.537 0.395 1.00 0.00 C ATOM 839 C TRP A 84 88.863 -7.881 1.835 1.00 0.00 C ATOM 840 O TRP A 84 89.604 -7.623 2.764 1.00 0.00 O ATOM 841 CB TRP A 84 90.308 -8.502 -0.135 1.00 0.00 C ATOM 842 CG TRP A 84 90.233 -8.532 -1.622 1.00 0.00 C ATOM 843 CD1 TRP A 84 91.180 -8.047 -2.447 1.00 0.00 C ATOM 844 CD2 TRP A 84 89.174 -9.058 -2.472 1.00 0.00 C ATOM 845 NE1 TRP A 84 90.773 -8.232 -3.755 1.00 0.00 N ATOM 846 CE2 TRP A 84 89.541 -8.854 -3.822 1.00 0.00 C ATOM 847 CE3 TRP A 84 87.943 -9.686 -2.206 1.00 0.00 C ATOM 848 CZ2 TRP A 84 88.716 -9.255 -4.872 1.00 0.00 C ATOM 849 CZ3 TRP A 84 87.111 -10.092 -3.262 1.00 0.00 C ATOM 850 CH2 TRP A 84 87.496 -9.876 -4.588 1.00 0.00 C ATOM 0 H TRP A 84 90.733 -6.138 -0.235 1.00 0.00 H new ATOM 0 HA TRP A 84 88.331 -7.583 -0.192 1.00 0.00 H new ATOM 0 HB2 TRP A 84 91.300 -8.185 0.186 1.00 0.00 H new ATOM 0 HB3 TRP A 84 90.145 -9.500 0.271 1.00 0.00 H new ATOM 0 HD1 TRP A 84 92.107 -7.588 -2.137 1.00 0.00 H new ATOM 0 HE1 TRP A 84 91.315 -7.945 -4.570 1.00 0.00 H new ATOM 0 HE3 TRP A 84 87.637 -9.857 -1.185 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 89.017 -9.087 -5.896 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 86.168 -10.574 -3.048 1.00 0.00 H new ATOM 0 HH2 TRP A 84 86.850 -10.189 -5.395 1.00 0.00 H new ATOM 861 N MET A 85 87.706 -8.453 2.030 1.00 0.00 N ATOM 862 CA MET A 85 87.277 -8.803 3.415 1.00 0.00 C ATOM 863 C MET A 85 86.489 -10.115 3.417 1.00 0.00 C ATOM 864 O MET A 85 85.818 -10.450 2.460 1.00 0.00 O ATOM 865 CB MET A 85 86.385 -7.643 3.854 1.00 0.00 C ATOM 866 CG MET A 85 87.198 -6.667 4.706 1.00 0.00 C ATOM 867 SD MET A 85 87.808 -7.521 6.182 1.00 0.00 S ATOM 868 CE MET A 85 88.016 -6.055 7.223 1.00 0.00 C ATOM 0 H MET A 85 87.042 -8.692 1.294 1.00 0.00 H new ATOM 0 HA MET A 85 88.125 -8.946 4.084 1.00 0.00 H new ATOM 0 HB2 MET A 85 85.981 -7.131 2.981 1.00 0.00 H new ATOM 0 HB3 MET A 85 85.536 -8.019 4.424 1.00 0.00 H new ATOM 0 HG2 MET A 85 88.034 -6.273 4.129 1.00 0.00 H new ATOM 0 HG3 MET A 85 86.580 -5.816 4.994 1.00 0.00 H new ATOM 0 HE1 MET A 85 88.392 -6.354 8.202 1.00 0.00 H new ATOM 0 HE2 MET A 85 88.726 -5.374 6.754 1.00 0.00 H new ATOM 0 HE3 MET A 85 87.056 -5.553 7.341 1.00 0.00 H new ATOM 878 N THR A 86 86.563 -10.856 4.490 1.00 0.00 N ATOM 879 CA THR A 86 85.818 -12.145 4.566 1.00 0.00 C ATOM 880 C THR A 86 84.845 -12.136 5.728 1.00 0.00 C ATOM 881 O THR A 86 85.041 -11.483 6.733 1.00 0.00 O ATOM 882 CB THR A 86 86.842 -13.243 4.773 1.00 0.00 C ATOM 883 OG1 THR A 86 86.167 -14.470 5.014 1.00 0.00 O ATOM 884 CG2 THR A 86 87.714 -12.899 5.971 1.00 0.00 C ATOM 0 H THR A 86 87.109 -10.623 5.319 1.00 0.00 H new ATOM 0 HA THR A 86 85.246 -12.302 3.652 1.00 0.00 H new ATOM 0 HB THR A 86 87.467 -13.337 3.885 1.00 0.00 H new ATOM 0 HG1 THR A 86 85.861 -14.848 4.163 1.00 0.00 H new ATOM 0 HG21 THR A 86 88.452 -13.687 6.122 1.00 0.00 H new ATOM 0 HG22 THR A 86 88.225 -11.954 5.789 1.00 0.00 H new ATOM 0 HG23 THR A 86 87.091 -12.809 6.861 1.00 0.00 H new ATOM 892 N ARG A 87 83.800 -12.866 5.576 1.00 0.00 N ATOM 893 CA ARG A 87 82.763 -12.943 6.645 1.00 0.00 C ATOM 894 C ARG A 87 83.387 -13.432 7.956 1.00 0.00 C ATOM 895 O ARG A 87 82.807 -13.303 9.016 1.00 0.00 O ATOM 896 CB ARG A 87 81.735 -13.951 6.132 1.00 0.00 C ATOM 897 CG ARG A 87 80.600 -14.083 7.148 1.00 0.00 C ATOM 898 CD ARG A 87 79.778 -15.335 6.833 1.00 0.00 C ATOM 899 NE ARG A 87 78.923 -14.949 5.675 1.00 0.00 N ATOM 900 CZ ARG A 87 77.847 -15.633 5.400 1.00 0.00 C ATOM 901 NH1 ARG A 87 77.776 -16.896 5.723 1.00 0.00 N ATOM 902 NH2 ARG A 87 76.842 -15.055 4.802 1.00 0.00 N ATOM 0 H ARG A 87 83.604 -13.428 4.747 1.00 0.00 H new ATOM 0 HA ARG A 87 82.313 -11.972 6.851 1.00 0.00 H new ATOM 0 HB2 ARG A 87 81.340 -13.626 5.170 1.00 0.00 H new ATOM 0 HB3 ARG A 87 82.208 -14.920 5.972 1.00 0.00 H new ATOM 0 HG2 ARG A 87 81.006 -14.146 8.157 1.00 0.00 H new ATOM 0 HG3 ARG A 87 79.963 -13.199 7.115 1.00 0.00 H new ATOM 0 HD2 ARG A 87 80.422 -16.179 6.585 1.00 0.00 H new ATOM 0 HD3 ARG A 87 79.173 -15.636 7.688 1.00 0.00 H new ATOM 0 HE ARG A 87 79.180 -14.149 5.097 1.00 0.00 H new ATOM 0 HH11 ARG A 87 78.562 -17.348 6.190 1.00 0.00 H new ATOM 0 HH12 ARG A 87 76.935 -17.431 5.508 1.00 0.00 H new ATOM 0 HH21 ARG A 87 76.898 -14.068 4.550 1.00 0.00 H new ATOM 0 HH22 ARG A 87 76.000 -15.590 4.587 1.00 0.00 H new ATOM 916 N GLY A 88 84.565 -13.989 7.891 1.00 0.00 N ATOM 917 CA GLY A 88 85.223 -14.483 9.133 1.00 0.00 C ATOM 918 C GLY A 88 85.628 -13.292 10.003 1.00 0.00 C ATOM 919 O GLY A 88 85.932 -13.437 11.170 1.00 0.00 O ATOM 0 H GLY A 88 85.100 -14.123 7.033 1.00 0.00 H new ATOM 0 HA2 GLY A 88 84.544 -15.134 9.683 1.00 0.00 H new ATOM 0 HA3 GLY A 88 86.101 -15.078 8.881 1.00 0.00 H new ATOM 923 N SER A 89 85.633 -12.113 9.444 1.00 0.00 N ATOM 924 CA SER A 89 86.018 -10.912 10.240 1.00 0.00 C ATOM 925 C SER A 89 85.445 -9.646 9.597 1.00 0.00 C ATOM 926 O SER A 89 86.171 -8.759 9.195 1.00 0.00 O ATOM 927 CB SER A 89 87.545 -10.887 10.206 1.00 0.00 C ATOM 928 OG SER A 89 88.009 -9.654 10.737 1.00 0.00 O ATOM 0 H SER A 89 85.387 -11.929 8.471 1.00 0.00 H new ATOM 0 HA SER A 89 85.634 -10.952 11.259 1.00 0.00 H new ATOM 0 HB2 SER A 89 87.946 -11.719 10.785 1.00 0.00 H new ATOM 0 HB3 SER A 89 87.899 -11.011 9.183 1.00 0.00 H new ATOM 0 HG SER A 89 87.660 -8.914 10.198 1.00 0.00 H new ATOM 934 N MET A 90 84.146 -9.558 9.495 1.00 0.00 N ATOM 935 CA MET A 90 83.527 -8.350 8.877 1.00 0.00 C ATOM 936 C MET A 90 82.302 -7.909 9.685 1.00 0.00 C ATOM 937 O MET A 90 81.294 -7.512 9.135 1.00 0.00 O ATOM 938 CB MET A 90 83.116 -8.792 7.472 1.00 0.00 C ATOM 939 CG MET A 90 84.130 -8.266 6.454 1.00 0.00 C ATOM 940 SD MET A 90 83.659 -6.595 5.941 1.00 0.00 S ATOM 941 CE MET A 90 82.909 -7.047 4.358 1.00 0.00 C ATOM 0 H MET A 90 83.487 -10.269 9.812 1.00 0.00 H new ATOM 0 HA MET A 90 84.210 -7.501 8.853 1.00 0.00 H new ATOM 0 HB2 MET A 90 83.065 -9.880 7.422 1.00 0.00 H new ATOM 0 HB3 MET A 90 82.120 -8.415 7.237 1.00 0.00 H new ATOM 0 HG2 MET A 90 85.128 -8.256 6.891 1.00 0.00 H new ATOM 0 HG3 MET A 90 84.168 -8.927 5.588 1.00 0.00 H new ATOM 0 HE1 MET A 90 82.639 -6.143 3.812 1.00 0.00 H new ATOM 0 HE2 MET A 90 83.621 -7.627 3.770 1.00 0.00 H new ATOM 0 HE3 MET A 90 82.015 -7.644 4.536 1.00 0.00 H new ATOM 951 N VAL A 91 82.384 -7.972 10.986 1.00 0.00 N ATOM 952 CA VAL A 91 81.227 -7.554 11.831 1.00 0.00 C ATOM 953 C VAL A 91 79.991 -8.396 11.494 1.00 0.00 C ATOM 954 O VAL A 91 79.974 -9.131 10.527 1.00 0.00 O ATOM 955 CB VAL A 91 80.984 -6.082 11.486 1.00 0.00 C ATOM 956 CG1 VAL A 91 80.151 -5.432 12.592 1.00 0.00 C ATOM 957 CG2 VAL A 91 82.324 -5.351 11.365 1.00 0.00 C ATOM 0 H VAL A 91 83.203 -8.295 11.502 1.00 0.00 H new ATOM 0 HA VAL A 91 81.426 -7.693 12.894 1.00 0.00 H new ATOM 0 HB VAL A 91 80.450 -6.018 10.538 1.00 0.00 H new ATOM 0 HG11 VAL A 91 79.977 -4.384 12.348 1.00 0.00 H new ATOM 0 HG12 VAL A 91 79.195 -5.948 12.678 1.00 0.00 H new ATOM 0 HG13 VAL A 91 80.687 -5.500 13.539 1.00 0.00 H new ATOM 0 HG21 VAL A 91 82.146 -4.304 11.119 1.00 0.00 H new ATOM 0 HG22 VAL A 91 82.861 -5.416 12.312 1.00 0.00 H new ATOM 0 HG23 VAL A 91 82.920 -5.812 10.578 1.00 0.00 H new ATOM 967 N GLY A 92 78.961 -8.297 12.289 1.00 0.00 N ATOM 968 CA GLY A 92 77.729 -9.095 12.022 1.00 0.00 C ATOM 969 C GLY A 92 76.832 -8.354 11.020 1.00 0.00 C ATOM 970 O GLY A 92 76.642 -8.812 9.910 1.00 0.00 O ATOM 0 H GLY A 92 78.919 -7.697 13.113 1.00 0.00 H new ATOM 0 HA2 GLY A 92 77.998 -10.074 11.627 1.00 0.00 H new ATOM 0 HA3 GLY A 92 77.187 -9.265 12.952 1.00 0.00 H new ATOM 974 N PRO A 93 76.298 -7.234 11.444 1.00 0.00 N ATOM 975 CA PRO A 93 75.405 -6.434 10.570 1.00 0.00 C ATOM 976 C PRO A 93 76.147 -5.972 9.314 1.00 0.00 C ATOM 977 O PRO A 93 75.625 -6.029 8.217 1.00 0.00 O ATOM 978 CB PRO A 93 75.038 -5.244 11.462 1.00 0.00 C ATOM 979 CG PRO A 93 75.740 -5.410 12.825 1.00 0.00 C ATOM 980 CD PRO A 93 76.558 -6.709 12.806 1.00 0.00 C ATOM 0 HA PRO A 93 74.537 -6.987 10.211 1.00 0.00 H new ATOM 0 HB2 PRO A 93 75.345 -4.310 10.991 1.00 0.00 H new ATOM 0 HB3 PRO A 93 73.958 -5.193 11.598 1.00 0.00 H new ATOM 0 HG2 PRO A 93 76.390 -4.557 13.021 1.00 0.00 H new ATOM 0 HG3 PRO A 93 75.003 -5.440 13.628 1.00 0.00 H new ATOM 0 HD2 PRO A 93 77.619 -6.523 12.973 1.00 0.00 H new ATOM 0 HD3 PRO A 93 76.231 -7.405 13.578 1.00 0.00 H new ATOM 988 N PHE A 94 77.357 -5.513 9.464 1.00 0.00 N ATOM 989 CA PHE A 94 78.128 -5.046 8.277 1.00 0.00 C ATOM 990 C PHE A 94 78.186 -6.148 7.214 1.00 0.00 C ATOM 991 O PHE A 94 77.978 -5.905 6.043 1.00 0.00 O ATOM 992 CB PHE A 94 79.527 -4.738 8.809 1.00 0.00 C ATOM 993 CG PHE A 94 80.111 -3.575 8.041 1.00 0.00 C ATOM 994 CD1 PHE A 94 79.833 -2.263 8.442 1.00 0.00 C ATOM 995 CD2 PHE A 94 80.930 -3.809 6.930 1.00 0.00 C ATOM 996 CE1 PHE A 94 80.374 -1.185 7.732 1.00 0.00 C ATOM 997 CE2 PHE A 94 81.471 -2.731 6.220 1.00 0.00 C ATOM 998 CZ PHE A 94 81.193 -1.419 6.621 1.00 0.00 C ATOM 0 H PHE A 94 77.846 -5.441 10.356 1.00 0.00 H new ATOM 0 HA PHE A 94 77.671 -4.176 7.805 1.00 0.00 H new ATOM 0 HB2 PHE A 94 79.480 -4.499 9.872 1.00 0.00 H new ATOM 0 HB3 PHE A 94 80.168 -5.614 8.707 1.00 0.00 H new ATOM 0 HD1 PHE A 94 79.201 -2.083 9.299 1.00 0.00 H new ATOM 0 HD2 PHE A 94 81.144 -4.821 6.621 1.00 0.00 H new ATOM 0 HE1 PHE A 94 80.160 -0.173 8.041 1.00 0.00 H new ATOM 0 HE2 PHE A 94 82.103 -2.911 5.363 1.00 0.00 H new ATOM 0 HZ PHE A 94 81.610 -0.587 6.073 1.00 0.00 H new ATOM 1008 N GLN A 95 78.473 -7.357 7.614 1.00 0.00 N ATOM 1009 CA GLN A 95 78.548 -8.469 6.625 1.00 0.00 C ATOM 1010 C GLN A 95 77.151 -9.042 6.357 1.00 0.00 C ATOM 1011 O GLN A 95 76.803 -9.350 5.235 1.00 0.00 O ATOM 1012 CB GLN A 95 79.463 -9.511 7.276 1.00 0.00 C ATOM 1013 CG GLN A 95 78.669 -10.359 8.272 1.00 0.00 C ATOM 1014 CD GLN A 95 79.552 -11.495 8.794 1.00 0.00 C ATOM 1015 OE1 GLN A 95 79.056 -12.526 9.203 1.00 0.00 O ATOM 1016 NE2 GLN A 95 80.848 -11.349 8.796 1.00 0.00 N ATOM 0 H GLN A 95 78.658 -7.622 8.581 1.00 0.00 H new ATOM 0 HA GLN A 95 78.933 -8.144 5.658 1.00 0.00 H new ATOM 0 HB2 GLN A 95 79.901 -10.151 6.510 1.00 0.00 H new ATOM 0 HB3 GLN A 95 80.288 -9.014 7.786 1.00 0.00 H new ATOM 0 HG2 GLN A 95 78.327 -9.740 9.101 1.00 0.00 H new ATOM 0 HG3 GLN A 95 77.780 -10.767 7.791 1.00 0.00 H new ATOM 0 HE21 GLN A 95 81.264 -10.483 8.453 1.00 0.00 H new ATOM 0 HE22 GLN A 95 81.445 -12.100 9.141 1.00 0.00 H new ATOM 1025 N GLU A 96 76.349 -9.188 7.376 1.00 0.00 N ATOM 1026 CA GLU A 96 74.979 -9.744 7.172 1.00 0.00 C ATOM 1027 C GLU A 96 74.318 -9.102 5.948 1.00 0.00 C ATOM 1028 O GLU A 96 73.560 -9.733 5.240 1.00 0.00 O ATOM 1029 CB GLU A 96 74.212 -9.384 8.445 1.00 0.00 C ATOM 1030 CG GLU A 96 74.048 -10.633 9.313 1.00 0.00 C ATOM 1031 CD GLU A 96 72.721 -11.316 8.977 1.00 0.00 C ATOM 1032 OE1 GLU A 96 72.368 -11.340 7.810 1.00 0.00 O ATOM 1033 OE2 GLU A 96 72.081 -11.802 9.894 1.00 0.00 O ATOM 0 H GLU A 96 76.581 -8.947 8.340 1.00 0.00 H new ATOM 0 HA GLU A 96 74.995 -10.819 6.994 1.00 0.00 H new ATOM 0 HB2 GLU A 96 74.746 -8.612 8.998 1.00 0.00 H new ATOM 0 HB3 GLU A 96 73.235 -8.975 8.190 1.00 0.00 H new ATOM 0 HG2 GLU A 96 74.877 -11.320 9.141 1.00 0.00 H new ATOM 0 HG3 GLU A 96 74.073 -10.361 10.368 1.00 0.00 H new ATOM 1040 N ALA A 97 74.596 -7.851 5.699 1.00 0.00 N ATOM 1041 CA ALA A 97 73.978 -7.169 4.524 1.00 0.00 C ATOM 1042 C ALA A 97 74.762 -7.488 3.248 1.00 0.00 C ATOM 1043 O ALA A 97 74.360 -8.311 2.451 1.00 0.00 O ATOM 1044 CB ALA A 97 74.065 -5.676 4.845 1.00 0.00 C ATOM 0 H ALA A 97 75.223 -7.272 6.257 1.00 0.00 H new ATOM 0 HA ALA A 97 72.952 -7.494 4.353 1.00 0.00 H new ATOM 0 HB1 ALA A 97 73.630 -5.102 4.027 1.00 0.00 H new ATOM 0 HB2 ALA A 97 73.518 -5.469 5.765 1.00 0.00 H new ATOM 0 HB3 ALA A 97 75.109 -5.392 4.972 1.00 0.00 H new ATOM 1050 N ALA A 98 75.870 -6.831 3.052 1.00 0.00 N ATOM 1051 CA ALA A 98 76.692 -7.073 1.828 1.00 0.00 C ATOM 1052 C ALA A 98 76.697 -8.561 1.456 1.00 0.00 C ATOM 1053 O ALA A 98 76.119 -8.961 0.466 1.00 0.00 O ATOM 1054 CB ALA A 98 78.101 -6.612 2.203 1.00 0.00 C ATOM 0 H ALA A 98 76.247 -6.131 3.691 1.00 0.00 H new ATOM 0 HA ALA A 98 76.298 -6.540 0.963 1.00 0.00 H new ATOM 0 HB1 ALA A 98 78.769 -6.757 1.354 1.00 0.00 H new ATOM 0 HB2 ALA A 98 78.079 -5.556 2.471 1.00 0.00 H new ATOM 0 HB3 ALA A 98 78.461 -7.194 3.051 1.00 0.00 H new ATOM 1060 N PHE A 99 77.350 -9.379 2.235 1.00 0.00 N ATOM 1061 CA PHE A 99 77.396 -10.837 1.918 1.00 0.00 C ATOM 1062 C PHE A 99 76.026 -11.329 1.450 1.00 0.00 C ATOM 1063 O PHE A 99 75.885 -11.882 0.378 1.00 0.00 O ATOM 1064 CB PHE A 99 77.785 -11.517 3.231 1.00 0.00 C ATOM 1065 CG PHE A 99 79.285 -11.473 3.398 1.00 0.00 C ATOM 1066 CD1 PHE A 99 80.089 -12.425 2.760 1.00 0.00 C ATOM 1067 CD2 PHE A 99 79.871 -10.483 4.194 1.00 0.00 C ATOM 1068 CE1 PHE A 99 81.479 -12.386 2.917 1.00 0.00 C ATOM 1069 CE2 PHE A 99 81.262 -10.443 4.351 1.00 0.00 C ATOM 1070 CZ PHE A 99 82.066 -11.395 3.713 1.00 0.00 C ATOM 0 H PHE A 99 77.854 -9.102 3.077 1.00 0.00 H new ATOM 0 HA PHE A 99 78.101 -11.057 1.116 1.00 0.00 H new ATOM 0 HB2 PHE A 99 77.301 -11.016 4.069 1.00 0.00 H new ATOM 0 HB3 PHE A 99 77.439 -12.550 3.234 1.00 0.00 H new ATOM 0 HD1 PHE A 99 79.636 -13.190 2.146 1.00 0.00 H new ATOM 0 HD2 PHE A 99 79.251 -9.750 4.687 1.00 0.00 H new ATOM 0 HE1 PHE A 99 82.099 -13.120 2.424 1.00 0.00 H new ATOM 0 HE2 PHE A 99 81.714 -9.678 4.964 1.00 0.00 H new ATOM 0 HZ PHE A 99 83.139 -11.365 3.835 1.00 0.00 H new ATOM 1080 N ALA A 100 75.018 -11.134 2.250 1.00 0.00 N ATOM 1081 CA ALA A 100 73.653 -11.594 1.860 1.00 0.00 C ATOM 1082 C ALA A 100 73.135 -10.779 0.673 1.00 0.00 C ATOM 1083 O ALA A 100 72.170 -11.146 0.032 1.00 0.00 O ATOM 1084 CB ALA A 100 72.786 -11.350 3.095 1.00 0.00 C ATOM 0 H ALA A 100 75.078 -10.675 3.159 1.00 0.00 H new ATOM 0 HA ALA A 100 73.644 -12.640 1.553 1.00 0.00 H new ATOM 0 HB1 ALA A 100 71.763 -11.664 2.889 1.00 0.00 H new ATOM 0 HB2 ALA A 100 73.179 -11.923 3.935 1.00 0.00 H new ATOM 0 HB3 ALA A 100 72.797 -10.289 3.343 1.00 0.00 H new ATOM 1090 N LEU A 101 73.762 -9.675 0.377 1.00 0.00 N ATOM 1091 CA LEU A 101 73.297 -8.840 -0.766 1.00 0.00 C ATOM 1092 C LEU A 101 74.300 -8.909 -1.926 1.00 0.00 C ATOM 1093 O LEU A 101 75.437 -9.296 -1.738 1.00 0.00 O ATOM 1094 CB LEU A 101 73.216 -7.423 -0.204 1.00 0.00 C ATOM 1095 CG LEU A 101 71.861 -7.223 0.475 1.00 0.00 C ATOM 1096 CD1 LEU A 101 72.024 -6.281 1.668 1.00 0.00 C ATOM 1097 CD2 LEU A 101 70.871 -6.618 -0.523 1.00 0.00 C ATOM 0 H LEU A 101 74.575 -9.315 0.876 1.00 0.00 H new ATOM 0 HA LEU A 101 72.340 -9.179 -1.164 1.00 0.00 H new ATOM 0 HB2 LEU A 101 74.022 -7.257 0.511 1.00 0.00 H new ATOM 0 HB3 LEU A 101 73.345 -6.694 -1.004 1.00 0.00 H new ATOM 0 HG LEU A 101 71.483 -8.185 0.820 1.00 0.00 H new ATOM 0 HD11 LEU A 101 71.058 -6.138 2.153 1.00 0.00 H new ATOM 0 HD12 LEU A 101 72.727 -6.714 2.380 1.00 0.00 H new ATOM 0 HD13 LEU A 101 72.403 -5.319 1.323 1.00 0.00 H new ATOM 0 HD21 LEU A 101 69.906 -6.476 -0.037 1.00 0.00 H new ATOM 0 HD22 LEU A 101 71.247 -5.656 -0.871 1.00 0.00 H new ATOM 0 HD23 LEU A 101 70.754 -7.291 -1.373 1.00 0.00 H new ATOM 1109 N PRO A 102 73.842 -8.537 -3.098 1.00 0.00 N ATOM 1110 CA PRO A 102 74.705 -8.563 -4.306 1.00 0.00 C ATOM 1111 C PRO A 102 75.881 -7.590 -4.173 1.00 0.00 C ATOM 1112 O PRO A 102 75.938 -6.782 -3.267 1.00 0.00 O ATOM 1113 CB PRO A 102 73.748 -8.106 -5.411 1.00 0.00 C ATOM 1114 CG PRO A 102 72.365 -7.827 -4.789 1.00 0.00 C ATOM 1115 CD PRO A 102 72.443 -8.076 -3.278 1.00 0.00 C ATOM 0 HA PRO A 102 75.155 -9.539 -4.490 1.00 0.00 H new ATOM 0 HB2 PRO A 102 74.132 -7.208 -5.895 1.00 0.00 H new ATOM 0 HB3 PRO A 102 73.667 -8.873 -6.181 1.00 0.00 H new ATOM 0 HG2 PRO A 102 72.063 -6.799 -4.987 1.00 0.00 H new ATOM 0 HG3 PRO A 102 71.611 -8.473 -5.239 1.00 0.00 H new ATOM 0 HD2 PRO A 102 72.238 -7.171 -2.707 1.00 0.00 H new ATOM 0 HD3 PRO A 102 71.723 -8.828 -2.953 1.00 0.00 H new ATOM 1123 N VAL A 103 76.814 -7.663 -5.083 1.00 0.00 N ATOM 1124 CA VAL A 103 77.993 -6.750 -5.042 1.00 0.00 C ATOM 1125 C VAL A 103 77.751 -5.582 -6.015 1.00 0.00 C ATOM 1126 O VAL A 103 77.269 -5.783 -7.112 1.00 0.00 O ATOM 1127 CB VAL A 103 79.175 -7.651 -5.463 1.00 0.00 C ATOM 1128 CG1 VAL A 103 79.811 -7.173 -6.774 1.00 0.00 C ATOM 1129 CG2 VAL A 103 80.234 -7.644 -4.362 1.00 0.00 C ATOM 0 H VAL A 103 76.810 -8.323 -5.861 1.00 0.00 H new ATOM 0 HA VAL A 103 78.183 -6.295 -4.070 1.00 0.00 H new ATOM 0 HB VAL A 103 78.791 -8.659 -5.618 1.00 0.00 H new ATOM 0 HG11 VAL A 103 80.639 -7.831 -7.038 1.00 0.00 H new ATOM 0 HG12 VAL A 103 79.065 -7.192 -7.568 1.00 0.00 H new ATOM 0 HG13 VAL A 103 80.182 -6.156 -6.649 1.00 0.00 H new ATOM 0 HG21 VAL A 103 81.069 -8.279 -4.657 1.00 0.00 H new ATOM 0 HG22 VAL A 103 80.590 -6.626 -4.206 1.00 0.00 H new ATOM 0 HG23 VAL A 103 79.799 -8.022 -3.437 1.00 0.00 H new ATOM 1139 N SER A 104 78.079 -4.368 -5.626 1.00 0.00 N ATOM 1140 CA SER A 104 77.853 -3.195 -6.540 1.00 0.00 C ATOM 1141 C SER A 104 77.933 -1.855 -5.777 1.00 0.00 C ATOM 1142 O SER A 104 78.665 -0.963 -6.157 1.00 0.00 O ATOM 1143 CB SER A 104 76.442 -3.393 -7.106 1.00 0.00 C ATOM 1144 OG SER A 104 76.527 -3.996 -8.389 1.00 0.00 O ATOM 0 H SER A 104 78.491 -4.139 -4.721 1.00 0.00 H new ATOM 0 HA SER A 104 78.615 -3.151 -7.318 1.00 0.00 H new ATOM 0 HB2 SER A 104 75.854 -4.020 -6.436 1.00 0.00 H new ATOM 0 HB3 SER A 104 75.929 -2.434 -7.176 1.00 0.00 H new ATOM 0 HG SER A 104 76.841 -4.920 -8.296 1.00 0.00 H new ATOM 1150 N GLY A 105 77.190 -1.706 -4.707 1.00 0.00 N ATOM 1151 CA GLY A 105 77.218 -0.434 -3.924 1.00 0.00 C ATOM 1152 C GLY A 105 77.178 0.791 -4.844 1.00 0.00 C ATOM 1153 O GLY A 105 77.013 0.673 -6.037 1.00 0.00 O ATOM 0 H GLY A 105 76.560 -2.419 -4.341 1.00 0.00 H new ATOM 0 HA2 GLY A 105 76.368 -0.406 -3.242 1.00 0.00 H new ATOM 0 HA3 GLY A 105 78.119 -0.402 -3.312 1.00 0.00 H new ATOM 1157 N MET A 106 77.337 1.967 -4.264 1.00 0.00 N ATOM 1158 CA MET A 106 77.325 3.261 -5.028 1.00 0.00 C ATOM 1159 C MET A 106 75.889 3.798 -5.177 1.00 0.00 C ATOM 1160 O MET A 106 75.316 4.302 -4.232 1.00 0.00 O ATOM 1161 CB MET A 106 77.969 2.971 -6.383 1.00 0.00 C ATOM 1162 CG MET A 106 78.282 4.290 -7.091 1.00 0.00 C ATOM 1163 SD MET A 106 78.512 3.985 -8.861 1.00 0.00 S ATOM 1164 CE MET A 106 76.763 3.829 -9.297 1.00 0.00 C ATOM 0 H MET A 106 77.479 2.082 -3.260 1.00 0.00 H new ATOM 0 HA MET A 106 77.881 4.038 -4.503 1.00 0.00 H new ATOM 0 HB2 MET A 106 78.883 2.393 -6.247 1.00 0.00 H new ATOM 0 HB3 MET A 106 77.298 2.368 -6.995 1.00 0.00 H new ATOM 0 HG2 MET A 106 77.470 5.000 -6.936 1.00 0.00 H new ATOM 0 HG3 MET A 106 79.182 4.738 -6.668 1.00 0.00 H new ATOM 0 HE1 MET A 106 76.654 3.866 -10.381 1.00 0.00 H new ATOM 0 HE2 MET A 106 76.379 2.879 -8.926 1.00 0.00 H new ATOM 0 HE3 MET A 106 76.202 4.648 -8.847 1.00 0.00 H new ATOM 1174 N ASP A 107 75.303 3.716 -6.346 1.00 0.00 N ATOM 1175 CA ASP A 107 73.914 4.249 -6.523 1.00 0.00 C ATOM 1176 C ASP A 107 72.867 3.265 -5.982 1.00 0.00 C ATOM 1177 O ASP A 107 71.867 3.000 -6.618 1.00 0.00 O ATOM 1178 CB ASP A 107 73.752 4.423 -8.033 1.00 0.00 C ATOM 1179 CG ASP A 107 72.322 4.870 -8.346 1.00 0.00 C ATOM 1180 OD1 ASP A 107 71.806 5.696 -7.612 1.00 0.00 O ATOM 1181 OD2 ASP A 107 71.767 4.376 -9.314 1.00 0.00 O ATOM 0 H ASP A 107 75.722 3.306 -7.181 1.00 0.00 H new ATOM 0 HA ASP A 107 73.767 5.181 -5.977 1.00 0.00 H new ATOM 0 HB2 ASP A 107 74.464 5.161 -8.403 1.00 0.00 H new ATOM 0 HB3 ASP A 107 73.971 3.485 -8.543 1.00 0.00 H new ATOM 1186 N LYS A 108 73.089 2.723 -4.816 1.00 0.00 N ATOM 1187 CA LYS A 108 72.111 1.758 -4.234 1.00 0.00 C ATOM 1188 C LYS A 108 71.727 0.664 -5.243 1.00 0.00 C ATOM 1189 O LYS A 108 70.559 0.370 -5.405 1.00 0.00 O ATOM 1190 CB LYS A 108 70.886 2.604 -3.885 1.00 0.00 C ATOM 1191 CG LYS A 108 69.817 1.712 -3.247 1.00 0.00 C ATOM 1192 CD LYS A 108 68.495 1.871 -4.000 1.00 0.00 C ATOM 1193 CE LYS A 108 67.561 0.716 -3.636 1.00 0.00 C ATOM 1194 NZ LYS A 108 66.444 0.806 -4.618 1.00 0.00 N ATOM 0 H LYS A 108 73.909 2.907 -4.238 1.00 0.00 H new ATOM 0 HA LYS A 108 72.529 1.242 -3.369 1.00 0.00 H new ATOM 0 HB2 LYS A 108 71.166 3.403 -3.198 1.00 0.00 H new ATOM 0 HB3 LYS A 108 70.491 3.079 -4.783 1.00 0.00 H new ATOM 0 HG2 LYS A 108 70.137 0.670 -3.271 1.00 0.00 H new ATOM 0 HG3 LYS A 108 69.684 1.980 -2.199 1.00 0.00 H new ATOM 0 HD2 LYS A 108 68.030 2.823 -3.744 1.00 0.00 H new ATOM 0 HD3 LYS A 108 68.675 1.883 -5.075 1.00 0.00 H new ATOM 0 HE2 LYS A 108 68.073 -0.244 -3.706 1.00 0.00 H new ATOM 0 HE3 LYS A 108 67.197 0.809 -2.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 65.759 0.046 -4.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 65.972 1.728 -4.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 66.821 0.708 -5.582 1.00 0.00 H new ATOM 1208 N PRO A 109 72.712 0.077 -5.881 1.00 0.00 N ATOM 1209 CA PRO A 109 72.439 -1.005 -6.858 1.00 0.00 C ATOM 1210 C PRO A 109 71.783 -2.189 -6.148 1.00 0.00 C ATOM 1211 O PRO A 109 70.731 -2.657 -6.535 1.00 0.00 O ATOM 1212 CB PRO A 109 73.839 -1.387 -7.338 1.00 0.00 C ATOM 1213 CG PRO A 109 74.866 -0.514 -6.598 1.00 0.00 C ATOM 1214 CD PRO A 109 74.130 0.453 -5.672 1.00 0.00 C ATOM 0 HA PRO A 109 71.769 -0.710 -7.666 1.00 0.00 H new ATOM 0 HB2 PRO A 109 74.030 -2.443 -7.145 1.00 0.00 H new ATOM 0 HB3 PRO A 109 73.923 -1.240 -8.415 1.00 0.00 H new ATOM 0 HG2 PRO A 109 75.546 -1.141 -6.022 1.00 0.00 H new ATOM 0 HG3 PRO A 109 75.473 0.040 -7.314 1.00 0.00 H new ATOM 0 HD2 PRO A 109 74.434 0.330 -4.632 1.00 0.00 H new ATOM 0 HD3 PRO A 109 74.318 1.493 -5.938 1.00 0.00 H new ATOM 1222 N VAL A 110 72.414 -2.675 -5.112 1.00 0.00 N ATOM 1223 CA VAL A 110 71.859 -3.835 -4.349 1.00 0.00 C ATOM 1224 C VAL A 110 70.355 -3.710 -4.153 1.00 0.00 C ATOM 1225 O VAL A 110 69.741 -2.712 -4.469 1.00 0.00 O ATOM 1226 CB VAL A 110 72.511 -3.795 -2.962 1.00 0.00 C ATOM 1227 CG1 VAL A 110 73.792 -4.615 -2.960 1.00 0.00 C ATOM 1228 CG2 VAL A 110 72.812 -2.354 -2.552 1.00 0.00 C ATOM 0 H VAL A 110 73.300 -2.315 -4.757 1.00 0.00 H new ATOM 0 HA VAL A 110 72.059 -4.757 -4.895 1.00 0.00 H new ATOM 0 HB VAL A 110 71.814 -4.224 -2.241 1.00 0.00 H new ATOM 0 HG11 VAL A 110 74.246 -4.579 -1.970 1.00 0.00 H new ATOM 0 HG12 VAL A 110 73.562 -5.649 -3.216 1.00 0.00 H new ATOM 0 HG13 VAL A 110 74.487 -4.205 -3.693 1.00 0.00 H new ATOM 0 HG21 VAL A 110 73.274 -2.346 -1.565 1.00 0.00 H new ATOM 0 HG22 VAL A 110 73.492 -1.904 -3.275 1.00 0.00 H new ATOM 0 HG23 VAL A 110 71.884 -1.783 -2.523 1.00 0.00 H new ATOM 1238 N PHE A 111 69.777 -4.718 -3.577 1.00 0.00 N ATOM 1239 CA PHE A 111 68.327 -4.689 -3.290 1.00 0.00 C ATOM 1240 C PHE A 111 68.097 -3.842 -2.044 1.00 0.00 C ATOM 1241 O PHE A 111 67.047 -3.262 -1.849 1.00 0.00 O ATOM 1242 CB PHE A 111 67.973 -6.143 -3.018 1.00 0.00 C ATOM 1243 CG PHE A 111 67.727 -6.851 -4.328 1.00 0.00 C ATOM 1244 CD1 PHE A 111 68.749 -6.925 -5.281 1.00 0.00 C ATOM 1245 CD2 PHE A 111 66.480 -7.431 -4.592 1.00 0.00 C ATOM 1246 CE1 PHE A 111 68.526 -7.579 -6.499 1.00 0.00 C ATOM 1247 CE2 PHE A 111 66.257 -8.086 -5.809 1.00 0.00 C ATOM 1248 CZ PHE A 111 67.280 -8.159 -6.763 1.00 0.00 C ATOM 0 H PHE A 111 70.255 -5.572 -3.289 1.00 0.00 H new ATOM 0 HA PHE A 111 67.727 -4.267 -4.096 1.00 0.00 H new ATOM 0 HB2 PHE A 111 68.782 -6.631 -2.475 1.00 0.00 H new ATOM 0 HB3 PHE A 111 67.085 -6.201 -2.388 1.00 0.00 H new ATOM 0 HD1 PHE A 111 69.710 -6.477 -5.077 1.00 0.00 H new ATOM 0 HD2 PHE A 111 65.691 -7.373 -3.857 1.00 0.00 H new ATOM 0 HE1 PHE A 111 69.315 -7.636 -7.234 1.00 0.00 H new ATOM 0 HE2 PHE A 111 65.296 -8.535 -6.012 1.00 0.00 H new ATOM 0 HZ PHE A 111 67.107 -8.663 -7.702 1.00 0.00 H new ATOM 1258 N THR A 112 69.090 -3.766 -1.198 1.00 0.00 N ATOM 1259 CA THR A 112 68.951 -2.953 0.043 1.00 0.00 C ATOM 1260 C THR A 112 69.300 -1.493 -0.246 1.00 0.00 C ATOM 1261 O THR A 112 69.231 -1.034 -1.369 1.00 0.00 O ATOM 1262 CB THR A 112 69.953 -3.552 1.034 1.00 0.00 C ATOM 1263 OG1 THR A 112 69.680 -3.054 2.337 1.00 0.00 O ATOM 1264 CG2 THR A 112 71.379 -3.167 0.629 1.00 0.00 C ATOM 0 H THR A 112 69.990 -4.232 -1.313 1.00 0.00 H new ATOM 0 HA THR A 112 67.934 -2.972 0.434 1.00 0.00 H new ATOM 0 HB THR A 112 69.860 -4.638 1.028 1.00 0.00 H new ATOM 0 HG1 THR A 112 68.785 -2.656 2.354 1.00 0.00 H new ATOM 0 HG21 THR A 112 72.087 -3.596 1.338 1.00 0.00 H new ATOM 0 HG22 THR A 112 71.589 -3.549 -0.370 1.00 0.00 H new ATOM 0 HG23 THR A 112 71.477 -2.081 0.630 1.00 0.00 H new ATOM 1272 N ASP A 113 69.689 -0.768 0.761 1.00 0.00 N ATOM 1273 CA ASP A 113 70.065 0.660 0.560 1.00 0.00 C ATOM 1274 C ASP A 113 71.509 0.857 1.022 1.00 0.00 C ATOM 1275 O ASP A 113 71.905 0.303 2.025 1.00 0.00 O ATOM 1276 CB ASP A 113 69.100 1.457 1.441 1.00 0.00 C ATOM 1277 CG ASP A 113 67.664 1.225 0.966 1.00 0.00 C ATOM 1278 OD1 ASP A 113 67.045 0.290 1.446 1.00 0.00 O ATOM 1279 OD2 ASP A 113 67.207 1.987 0.131 1.00 0.00 O ATOM 0 H ASP A 113 69.764 -1.103 1.722 1.00 0.00 H new ATOM 0 HA ASP A 113 70.002 0.977 -0.481 1.00 0.00 H new ATOM 0 HB2 ASP A 113 69.204 1.151 2.482 1.00 0.00 H new ATOM 0 HB3 ASP A 113 69.342 2.519 1.396 1.00 0.00 H new ATOM 1284 N PRO A 114 72.266 1.618 0.275 1.00 0.00 N ATOM 1285 CA PRO A 114 73.679 1.846 0.632 1.00 0.00 C ATOM 1286 C PRO A 114 73.821 2.376 2.069 1.00 0.00 C ATOM 1287 O PRO A 114 74.461 1.743 2.878 1.00 0.00 O ATOM 1288 CB PRO A 114 74.141 2.859 -0.417 1.00 0.00 C ATOM 1289 CG PRO A 114 72.949 3.181 -1.340 1.00 0.00 C ATOM 1290 CD PRO A 114 71.766 2.282 -0.951 1.00 0.00 C ATOM 0 HA PRO A 114 74.280 0.937 0.625 1.00 0.00 H new ATOM 0 HB2 PRO A 114 74.503 3.767 0.066 1.00 0.00 H new ATOM 0 HB3 PRO A 114 74.971 2.454 -0.996 1.00 0.00 H new ATOM 0 HG2 PRO A 114 72.672 4.231 -1.246 1.00 0.00 H new ATOM 0 HG3 PRO A 114 73.223 3.015 -2.382 1.00 0.00 H new ATOM 0 HD2 PRO A 114 70.861 2.860 -0.761 1.00 0.00 H new ATOM 0 HD3 PRO A 114 71.526 1.563 -1.734 1.00 0.00 H new ATOM 1298 N PRO A 115 73.220 3.510 2.349 1.00 0.00 N ATOM 1299 CA PRO A 115 73.297 4.104 3.710 1.00 0.00 C ATOM 1300 C PRO A 115 72.761 3.130 4.763 1.00 0.00 C ATOM 1301 O PRO A 115 71.690 3.323 5.303 1.00 0.00 O ATOM 1302 CB PRO A 115 72.368 5.315 3.601 1.00 0.00 C ATOM 1303 CG PRO A 115 71.790 5.368 2.174 1.00 0.00 C ATOM 1304 CD PRO A 115 72.429 4.249 1.341 1.00 0.00 C ATOM 0 HA PRO A 115 74.315 4.350 4.012 1.00 0.00 H new ATOM 0 HB2 PRO A 115 71.563 5.241 4.332 1.00 0.00 H new ATOM 0 HB3 PRO A 115 72.915 6.232 3.821 1.00 0.00 H new ATOM 0 HG2 PRO A 115 70.707 5.248 2.201 1.00 0.00 H new ATOM 0 HG3 PRO A 115 71.992 6.338 1.721 1.00 0.00 H new ATOM 0 HD2 PRO A 115 71.678 3.615 0.870 1.00 0.00 H new ATOM 0 HD3 PRO A 115 73.057 4.645 0.543 1.00 0.00 H new ATOM 1312 N VAL A 116 73.488 2.093 5.070 1.00 0.00 N ATOM 1313 CA VAL A 116 72.994 1.136 6.093 1.00 0.00 C ATOM 1314 C VAL A 116 73.478 1.574 7.474 1.00 0.00 C ATOM 1315 O VAL A 116 74.567 2.092 7.624 1.00 0.00 O ATOM 1316 CB VAL A 116 73.591 -0.225 5.714 1.00 0.00 C ATOM 1317 CG1 VAL A 116 73.536 -0.419 4.196 1.00 0.00 C ATOM 1318 CG2 VAL A 116 75.044 -0.311 6.186 1.00 0.00 C ATOM 0 H VAL A 116 74.395 1.869 4.660 1.00 0.00 H new ATOM 0 HA VAL A 116 71.905 1.090 6.126 1.00 0.00 H new ATOM 0 HB VAL A 116 73.008 -1.008 6.198 1.00 0.00 H new ATOM 0 HG11 VAL A 116 73.962 -1.388 3.937 1.00 0.00 H new ATOM 0 HG12 VAL A 116 72.500 -0.377 3.861 1.00 0.00 H new ATOM 0 HG13 VAL A 116 74.107 0.370 3.707 1.00 0.00 H new ATOM 0 HG21 VAL A 116 75.459 -1.281 5.912 1.00 0.00 H new ATOM 0 HG22 VAL A 116 75.627 0.479 5.714 1.00 0.00 H new ATOM 0 HG23 VAL A 116 75.082 -0.193 7.269 1.00 0.00 H new ATOM 1328 N LYS A 117 72.684 1.374 8.482 1.00 0.00 N ATOM 1329 CA LYS A 117 73.112 1.786 9.843 1.00 0.00 C ATOM 1330 C LYS A 117 73.659 0.585 10.611 1.00 0.00 C ATOM 1331 O LYS A 117 73.159 -0.517 10.502 1.00 0.00 O ATOM 1332 CB LYS A 117 71.852 2.318 10.515 1.00 0.00 C ATOM 1333 CG LYS A 117 72.177 2.686 11.962 1.00 0.00 C ATOM 1334 CD LYS A 117 71.290 1.872 12.907 1.00 0.00 C ATOM 1335 CE LYS A 117 69.988 2.633 13.167 1.00 0.00 C ATOM 1336 NZ LYS A 117 69.594 2.255 14.554 1.00 0.00 N ATOM 0 H LYS A 117 71.760 0.945 8.424 1.00 0.00 H new ATOM 0 HA LYS A 117 73.904 2.534 9.814 1.00 0.00 H new ATOM 0 HB2 LYS A 117 71.480 3.191 9.979 1.00 0.00 H new ATOM 0 HB3 LYS A 117 71.064 1.566 10.486 1.00 0.00 H new ATOM 0 HG2 LYS A 117 73.228 2.488 12.172 1.00 0.00 H new ATOM 0 HG3 LYS A 117 72.016 3.752 12.122 1.00 0.00 H new ATOM 0 HD2 LYS A 117 71.073 0.897 12.470 1.00 0.00 H new ATOM 0 HD3 LYS A 117 71.812 1.691 13.847 1.00 0.00 H new ATOM 0 HE2 LYS A 117 70.135 3.709 13.077 1.00 0.00 H new ATOM 0 HE3 LYS A 117 69.218 2.355 12.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 68.708 2.737 14.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 69.455 1.226 14.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 70.344 2.538 15.217 1.00 0.00 H new ATOM 1350 N THR A 118 74.681 0.794 11.392 1.00 0.00 N ATOM 1351 CA THR A 118 75.263 -0.333 12.175 1.00 0.00 C ATOM 1352 C THR A 118 76.476 0.150 12.974 1.00 0.00 C ATOM 1353 O THR A 118 77.413 -0.587 13.204 1.00 0.00 O ATOM 1354 CB THR A 118 75.688 -1.369 11.132 1.00 0.00 C ATOM 1355 OG1 THR A 118 76.421 -2.407 11.768 1.00 0.00 O ATOM 1356 CG2 THR A 118 76.564 -0.700 10.071 1.00 0.00 C ATOM 0 H THR A 118 75.139 1.696 11.523 1.00 0.00 H new ATOM 0 HA THR A 118 74.552 -0.746 12.891 1.00 0.00 H new ATOM 0 HB THR A 118 74.802 -1.789 10.656 1.00 0.00 H new ATOM 0 HG1 THR A 118 77.152 -2.018 12.292 1.00 0.00 H new ATOM 0 HG21 THR A 118 76.866 -1.439 9.329 1.00 0.00 H new ATOM 0 HG22 THR A 118 76.001 0.095 9.583 1.00 0.00 H new ATOM 0 HG23 THR A 118 77.451 -0.278 10.544 1.00 0.00 H new ATOM 1364 N LYS A 119 76.465 1.384 13.403 1.00 0.00 N ATOM 1365 CA LYS A 119 77.619 1.907 14.188 1.00 0.00 C ATOM 1366 C LYS A 119 77.288 3.278 14.785 1.00 0.00 C ATOM 1367 O LYS A 119 77.195 3.433 15.987 1.00 0.00 O ATOM 1368 CB LYS A 119 78.764 2.025 13.181 1.00 0.00 C ATOM 1369 CG LYS A 119 80.043 1.456 13.798 1.00 0.00 C ATOM 1370 CD LYS A 119 81.246 1.849 12.938 1.00 0.00 C ATOM 1371 CE LYS A 119 82.240 0.687 12.890 1.00 0.00 C ATOM 1372 NZ LYS A 119 83.504 1.239 13.455 1.00 0.00 N ATOM 0 H LYS A 119 75.709 2.050 13.244 1.00 0.00 H new ATOM 0 HA LYS A 119 77.873 1.254 15.023 1.00 0.00 H new ATOM 0 HB2 LYS A 119 78.516 1.485 12.267 1.00 0.00 H new ATOM 0 HB3 LYS A 119 78.914 3.069 12.904 1.00 0.00 H new ATOM 0 HG2 LYS A 119 80.169 1.834 14.812 1.00 0.00 H new ATOM 0 HG3 LYS A 119 79.973 0.371 13.869 1.00 0.00 H new ATOM 0 HD2 LYS A 119 80.918 2.103 11.930 1.00 0.00 H new ATOM 0 HD3 LYS A 119 81.727 2.736 13.350 1.00 0.00 H new ATOM 0 HE2 LYS A 119 81.884 -0.162 13.474 1.00 0.00 H new ATOM 0 HE3 LYS A 119 82.385 0.333 11.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 84.236 0.500 13.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 83.822 2.041 12.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 83.337 1.562 14.430 1.00 0.00 H new ATOM 1386 N PHE A 120 77.116 4.277 13.960 1.00 0.00 N ATOM 1387 CA PHE A 120 76.799 5.633 14.494 1.00 0.00 C ATOM 1388 C PHE A 120 76.032 6.461 13.456 1.00 0.00 C ATOM 1389 O PHE A 120 76.076 7.674 13.467 1.00 0.00 O ATOM 1390 CB PHE A 120 78.161 6.267 14.781 1.00 0.00 C ATOM 1391 CG PHE A 120 78.178 6.814 16.189 1.00 0.00 C ATOM 1392 CD1 PHE A 120 77.590 8.054 16.466 1.00 0.00 C ATOM 1393 CD2 PHE A 120 78.784 6.081 17.217 1.00 0.00 C ATOM 1394 CE1 PHE A 120 77.609 8.561 17.772 1.00 0.00 C ATOM 1395 CE2 PHE A 120 78.801 6.588 18.522 1.00 0.00 C ATOM 1396 CZ PHE A 120 78.213 7.828 18.799 1.00 0.00 C ATOM 0 H PHE A 120 77.181 4.213 12.944 1.00 0.00 H new ATOM 0 HA PHE A 120 76.168 5.586 15.381 1.00 0.00 H new ATOM 0 HB2 PHE A 120 78.951 5.527 14.658 1.00 0.00 H new ATOM 0 HB3 PHE A 120 78.359 7.066 14.067 1.00 0.00 H new ATOM 0 HD1 PHE A 120 77.122 8.619 15.674 1.00 0.00 H new ATOM 0 HD2 PHE A 120 79.238 5.125 17.003 1.00 0.00 H new ATOM 0 HE1 PHE A 120 77.157 9.518 17.986 1.00 0.00 H new ATOM 0 HE2 PHE A 120 79.268 6.023 19.315 1.00 0.00 H new ATOM 0 HZ PHE A 120 78.226 8.219 19.806 1.00 0.00 H new ATOM 1406 N GLY A 121 75.328 5.821 12.562 1.00 0.00 N ATOM 1407 CA GLY A 121 74.564 6.587 11.536 1.00 0.00 C ATOM 1408 C GLY A 121 74.351 5.724 10.291 1.00 0.00 C ATOM 1409 O GLY A 121 74.239 4.518 10.371 1.00 0.00 O ATOM 0 H GLY A 121 75.249 4.806 12.498 1.00 0.00 H new ATOM 0 HA2 GLY A 121 73.601 6.896 11.943 1.00 0.00 H new ATOM 0 HA3 GLY A 121 75.105 7.495 11.271 1.00 0.00 H new ATOM 1413 N TYR A 122 74.292 6.336 9.139 1.00 0.00 N ATOM 1414 CA TYR A 122 74.083 5.562 7.881 1.00 0.00 C ATOM 1415 C TYR A 122 75.389 5.493 7.091 1.00 0.00 C ATOM 1416 O TYR A 122 76.125 6.455 7.009 1.00 0.00 O ATOM 1417 CB TYR A 122 73.028 6.350 7.105 1.00 0.00 C ATOM 1418 CG TYR A 122 71.685 6.191 7.775 1.00 0.00 C ATOM 1419 CD1 TYR A 122 71.496 6.647 9.085 1.00 0.00 C ATOM 1420 CD2 TYR A 122 70.628 5.589 7.083 1.00 0.00 C ATOM 1421 CE1 TYR A 122 70.249 6.500 9.703 1.00 0.00 C ATOM 1422 CE2 TYR A 122 69.381 5.442 7.701 1.00 0.00 C ATOM 1423 CZ TYR A 122 69.191 5.898 9.011 1.00 0.00 C ATOM 1424 OH TYR A 122 67.960 5.753 9.621 1.00 0.00 O ATOM 0 H TYR A 122 74.380 7.345 9.014 1.00 0.00 H new ATOM 0 HA TYR A 122 73.767 4.536 8.069 1.00 0.00 H new ATOM 0 HB2 TYR A 122 73.303 7.404 7.064 1.00 0.00 H new ATOM 0 HB3 TYR A 122 72.977 5.994 6.076 1.00 0.00 H new ATOM 0 HD1 TYR A 122 72.312 7.112 9.618 1.00 0.00 H new ATOM 0 HD2 TYR A 122 70.775 5.238 6.072 1.00 0.00 H new ATOM 0 HE1 TYR A 122 70.103 6.851 10.714 1.00 0.00 H new ATOM 0 HE2 TYR A 122 68.565 4.977 7.167 1.00 0.00 H new ATOM 0 HH TYR A 122 67.338 5.317 9.002 1.00 0.00 H new ATOM 1434 N HIS A 123 75.692 4.364 6.517 1.00 0.00 N ATOM 1435 CA HIS A 123 76.967 4.244 5.747 1.00 0.00 C ATOM 1436 C HIS A 123 76.707 3.532 4.416 1.00 0.00 C ATOM 1437 O HIS A 123 75.963 2.578 4.362 1.00 0.00 O ATOM 1438 CB HIS A 123 77.913 3.406 6.631 1.00 0.00 C ATOM 1439 CG HIS A 123 77.451 3.417 8.073 1.00 0.00 C ATOM 1440 ND1 HIS A 123 77.575 4.536 8.882 1.00 0.00 N ATOM 1441 CD2 HIS A 123 76.858 2.455 8.857 1.00 0.00 C ATOM 1442 CE1 HIS A 123 77.071 4.223 10.090 1.00 0.00 C ATOM 1443 NE2 HIS A 123 76.620 2.967 10.129 1.00 0.00 N ATOM 0 H HIS A 123 75.118 3.521 6.545 1.00 0.00 H new ATOM 0 HA HIS A 123 77.397 5.219 5.516 1.00 0.00 H new ATOM 0 HB2 HIS A 123 77.948 2.380 6.263 1.00 0.00 H new ATOM 0 HB3 HIS A 123 78.926 3.803 6.566 1.00 0.00 H new ATOM 0 HD2 HIS A 123 76.614 1.454 8.534 1.00 0.00 H new ATOM 0 HE1 HIS A 123 77.036 4.905 10.927 1.00 0.00 H new ATOM 0 HE2 HIS A 123 76.193 2.486 10.921 1.00 0.00 H new ATOM 1451 N ILE A 124 77.311 3.984 3.345 1.00 0.00 N ATOM 1452 CA ILE A 124 77.075 3.313 2.028 1.00 0.00 C ATOM 1453 C ILE A 124 78.087 2.188 1.813 1.00 0.00 C ATOM 1454 O ILE A 124 79.229 2.421 1.470 1.00 0.00 O ATOM 1455 CB ILE A 124 77.261 4.396 0.957 1.00 0.00 C ATOM 1456 CG1 ILE A 124 76.374 5.605 1.275 1.00 0.00 C ATOM 1457 CG2 ILE A 124 76.871 3.824 -0.407 1.00 0.00 C ATOM 1458 CD1 ILE A 124 76.314 6.534 0.054 1.00 0.00 C ATOM 0 H ILE A 124 77.950 4.779 3.324 1.00 0.00 H new ATOM 0 HA ILE A 124 76.080 2.871 1.984 1.00 0.00 H new ATOM 0 HB ILE A 124 78.304 4.714 0.942 1.00 0.00 H new ATOM 0 HG12 ILE A 124 75.371 5.273 1.542 1.00 0.00 H new ATOM 0 HG13 ILE A 124 76.771 6.144 2.136 1.00 0.00 H new ATOM 0 HG21 ILE A 124 77.001 4.589 -1.173 1.00 0.00 H new ATOM 0 HG22 ILE A 124 77.505 2.968 -0.638 1.00 0.00 H new ATOM 0 HG23 ILE A 124 75.828 3.507 -0.384 1.00 0.00 H new ATOM 0 HD11 ILE A 124 75.683 7.393 0.281 1.00 0.00 H new ATOM 0 HD12 ILE A 124 77.319 6.877 -0.192 1.00 0.00 H new ATOM 0 HD13 ILE A 124 75.897 5.992 -0.795 1.00 0.00 H new ATOM 1470 N ILE A 125 77.669 0.965 2.000 1.00 0.00 N ATOM 1471 CA ILE A 125 78.596 -0.180 1.796 1.00 0.00 C ATOM 1472 C ILE A 125 78.513 -0.643 0.345 1.00 0.00 C ATOM 1473 O ILE A 125 77.447 -0.909 -0.174 1.00 0.00 O ATOM 1474 CB ILE A 125 78.080 -1.268 2.741 1.00 0.00 C ATOM 1475 CG1 ILE A 125 78.598 -1.010 4.156 1.00 0.00 C ATOM 1476 CG2 ILE A 125 78.563 -2.639 2.268 1.00 0.00 C ATOM 1477 CD1 ILE A 125 77.770 -1.828 5.150 1.00 0.00 C ATOM 0 H ILE A 125 76.723 0.711 2.286 1.00 0.00 H new ATOM 0 HA ILE A 125 79.637 0.071 1.998 1.00 0.00 H new ATOM 0 HB ILE A 125 76.990 -1.249 2.742 1.00 0.00 H new ATOM 0 HG12 ILE A 125 79.650 -1.285 4.227 1.00 0.00 H new ATOM 0 HG13 ILE A 125 78.530 0.052 4.394 1.00 0.00 H new ATOM 0 HG21 ILE A 125 78.192 -3.409 2.945 1.00 0.00 H new ATOM 0 HG22 ILE A 125 78.189 -2.829 1.262 1.00 0.00 H new ATOM 0 HG23 ILE A 125 79.653 -2.658 2.259 1.00 0.00 H new ATOM 0 HD11 ILE A 125 78.134 -1.649 6.161 1.00 0.00 H new ATOM 0 HD12 ILE A 125 76.723 -1.531 5.083 1.00 0.00 H new ATOM 0 HD13 ILE A 125 77.862 -2.888 4.914 1.00 0.00 H new ATOM 1489 N MET A 126 79.627 -0.732 -0.317 1.00 0.00 N ATOM 1490 CA MET A 126 79.622 -1.160 -1.719 1.00 0.00 C ATOM 1491 C MET A 126 80.522 -2.390 -1.876 1.00 0.00 C ATOM 1492 O MET A 126 81.728 -2.280 -1.942 1.00 0.00 O ATOM 1493 CB MET A 126 80.183 0.063 -2.462 1.00 0.00 C ATOM 1494 CG MET A 126 81.008 -0.382 -3.663 1.00 0.00 C ATOM 1495 SD MET A 126 81.237 1.006 -4.804 1.00 0.00 S ATOM 1496 CE MET A 126 81.831 2.216 -3.595 1.00 0.00 C ATOM 0 H MET A 126 80.548 -0.522 0.067 1.00 0.00 H new ATOM 0 HA MET A 126 78.643 -1.452 -2.099 1.00 0.00 H new ATOM 0 HB2 MET A 126 79.365 0.704 -2.791 1.00 0.00 H new ATOM 0 HB3 MET A 126 80.801 0.656 -1.787 1.00 0.00 H new ATOM 0 HG2 MET A 126 81.977 -0.755 -3.331 1.00 0.00 H new ATOM 0 HG3 MET A 126 80.508 -1.205 -4.174 1.00 0.00 H new ATOM 0 HE1 MET A 126 82.613 2.827 -4.046 1.00 0.00 H new ATOM 0 HE2 MET A 126 81.005 2.856 -3.284 1.00 0.00 H new ATOM 0 HE3 MET A 126 82.233 1.695 -2.726 1.00 0.00 H new ATOM 1506 N VAL A 127 79.944 -3.554 -1.958 1.00 0.00 N ATOM 1507 CA VAL A 127 80.774 -4.775 -2.134 1.00 0.00 C ATOM 1508 C VAL A 127 80.951 -4.991 -3.631 1.00 0.00 C ATOM 1509 O VAL A 127 79.991 -5.100 -4.365 1.00 0.00 O ATOM 1510 CB VAL A 127 79.968 -5.911 -1.500 1.00 0.00 C ATOM 1511 CG1 VAL A 127 80.842 -7.164 -1.401 1.00 0.00 C ATOM 1512 CG2 VAL A 127 79.515 -5.499 -0.097 1.00 0.00 C ATOM 0 H VAL A 127 78.937 -3.712 -1.911 1.00 0.00 H new ATOM 0 HA VAL A 127 81.761 -4.711 -1.675 1.00 0.00 H new ATOM 0 HB VAL A 127 79.095 -6.121 -2.118 1.00 0.00 H new ATOM 0 HG11 VAL A 127 80.268 -7.973 -0.949 1.00 0.00 H new ATOM 0 HG12 VAL A 127 81.166 -7.461 -2.398 1.00 0.00 H new ATOM 0 HG13 VAL A 127 81.715 -6.951 -0.785 1.00 0.00 H new ATOM 0 HG21 VAL A 127 78.941 -6.309 0.353 1.00 0.00 H new ATOM 0 HG22 VAL A 127 80.388 -5.287 0.520 1.00 0.00 H new ATOM 0 HG23 VAL A 127 78.892 -4.607 -0.163 1.00 0.00 H new ATOM 1522 N GLU A 128 82.162 -5.019 -4.103 1.00 0.00 N ATOM 1523 CA GLU A 128 82.378 -5.186 -5.542 1.00 0.00 C ATOM 1524 C GLU A 128 83.705 -5.888 -5.781 1.00 0.00 C ATOM 1525 O GLU A 128 84.750 -5.343 -5.585 1.00 0.00 O ATOM 1526 CB GLU A 128 82.413 -3.764 -6.105 1.00 0.00 C ATOM 1527 CG GLU A 128 81.180 -3.534 -6.980 1.00 0.00 C ATOM 1528 CD GLU A 128 81.336 -4.303 -8.292 1.00 0.00 C ATOM 1529 OE1 GLU A 128 82.365 -4.936 -8.466 1.00 0.00 O ATOM 1530 OE2 GLU A 128 80.425 -4.247 -9.102 1.00 0.00 O ATOM 0 H GLU A 128 83.009 -4.932 -3.542 1.00 0.00 H new ATOM 0 HA GLU A 128 81.603 -5.789 -6.016 1.00 0.00 H new ATOM 0 HB2 GLU A 128 82.435 -3.039 -5.291 1.00 0.00 H new ATOM 0 HB3 GLU A 128 83.321 -3.615 -6.690 1.00 0.00 H new ATOM 0 HG2 GLU A 128 80.283 -3.864 -6.457 1.00 0.00 H new ATOM 0 HG3 GLU A 128 81.057 -2.470 -7.182 1.00 0.00 H new ATOM 1537 N GLY A 129 83.661 -7.093 -6.170 1.00 0.00 N ATOM 1538 CA GLY A 129 84.915 -7.851 -6.431 1.00 0.00 C ATOM 1539 C GLY A 129 84.719 -9.293 -6.016 1.00 0.00 C ATOM 1540 O GLY A 129 85.288 -10.199 -6.591 1.00 0.00 O ATOM 0 H GLY A 129 82.801 -7.618 -6.329 1.00 0.00 H new ATOM 0 HA2 GLY A 129 85.174 -7.796 -7.488 1.00 0.00 H new ATOM 0 HA3 GLY A 129 85.743 -7.410 -5.877 1.00 0.00 H new ATOM 1544 N ARG A 130 83.922 -9.500 -5.014 1.00 0.00 N ATOM 1545 CA ARG A 130 83.679 -10.872 -4.509 1.00 0.00 C ATOM 1546 C ARG A 130 83.724 -11.910 -5.630 1.00 0.00 C ATOM 1547 O ARG A 130 83.467 -11.624 -6.783 1.00 0.00 O ATOM 1548 CB ARG A 130 82.297 -10.813 -3.863 1.00 0.00 C ATOM 1549 CG ARG A 130 81.610 -12.184 -3.919 1.00 0.00 C ATOM 1550 CD ARG A 130 80.965 -12.374 -5.294 1.00 0.00 C ATOM 1551 NE ARG A 130 79.581 -12.846 -5.005 1.00 0.00 N ATOM 1552 CZ ARG A 130 78.575 -12.373 -5.687 1.00 0.00 C ATOM 1553 NH1 ARG A 130 78.350 -12.800 -6.900 1.00 0.00 N ATOM 1554 NH2 ARG A 130 77.791 -11.475 -5.156 1.00 0.00 N ATOM 0 H ARG A 130 83.420 -8.765 -4.515 1.00 0.00 H new ATOM 0 HA ARG A 130 84.450 -11.181 -3.804 1.00 0.00 H new ATOM 0 HB2 ARG A 130 82.389 -10.489 -2.826 1.00 0.00 H new ATOM 0 HB3 ARG A 130 81.683 -10.072 -4.375 1.00 0.00 H new ATOM 0 HG2 ARG A 130 82.337 -12.975 -3.734 1.00 0.00 H new ATOM 0 HG3 ARG A 130 80.854 -12.256 -3.137 1.00 0.00 H new ATOM 0 HD2 ARG A 130 80.955 -11.441 -5.858 1.00 0.00 H new ATOM 0 HD3 ARG A 130 81.514 -13.102 -5.891 1.00 0.00 H new ATOM 0 HE ARG A 130 79.421 -13.539 -4.274 1.00 0.00 H new ATOM 0 HH11 ARG A 130 78.961 -13.504 -7.315 1.00 0.00 H new ATOM 0 HH12 ARG A 130 77.563 -12.430 -7.433 1.00 0.00 H new ATOM 0 HH21 ARG A 130 77.965 -11.143 -4.207 1.00 0.00 H new ATOM 0 HH22 ARG A 130 77.004 -11.105 -5.690 1.00 0.00 H new ATOM 1568 N LYS A 131 84.047 -13.117 -5.277 1.00 0.00 N ATOM 1569 CA LYS A 131 84.116 -14.207 -6.293 1.00 0.00 C ATOM 1570 C LYS A 131 82.941 -15.172 -6.114 1.00 0.00 C ATOM 1571 O LYS A 131 82.261 -15.065 -5.107 1.00 0.00 O ATOM 1572 CB LYS A 131 85.439 -14.923 -6.017 1.00 0.00 C ATOM 1573 CG LYS A 131 86.585 -13.910 -6.058 1.00 0.00 C ATOM 1574 CD LYS A 131 87.121 -13.692 -4.642 1.00 0.00 C ATOM 1575 CE LYS A 131 87.989 -14.885 -4.238 1.00 0.00 C ATOM 1576 NZ LYS A 131 89.341 -14.571 -4.778 1.00 0.00 N ATOM 1577 OXT LYS A 131 82.741 -16.000 -6.987 1.00 0.00 O ATOM 0 H LYS A 131 84.269 -13.402 -4.323 1.00 0.00 H new ATOM 0 HA LYS A 131 84.063 -13.824 -7.312 1.00 0.00 H new ATOM 0 HB2 LYS A 131 85.405 -15.410 -5.043 1.00 0.00 H new ATOM 0 HB3 LYS A 131 85.604 -15.705 -6.759 1.00 0.00 H new ATOM 0 HG2 LYS A 131 87.381 -14.271 -6.709 1.00 0.00 H new ATOM 0 HG3 LYS A 131 86.236 -12.966 -6.476 1.00 0.00 H new ATOM 0 HD2 LYS A 131 87.705 -12.773 -4.600 1.00 0.00 H new ATOM 0 HD3 LYS A 131 86.294 -13.577 -3.942 1.00 0.00 H new ATOM 0 HE2 LYS A 131 88.014 -15.007 -3.155 1.00 0.00 H new ATOM 0 HE3 LYS A 131 87.602 -15.815 -4.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 89.830 -15.455 -5.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 89.247 -13.977 -5.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 89.892 -14.061 -4.059 1.00 0.00 H new