USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 669 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 94 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 120 HIS : no HE2:sc= -1.13 K(o=-1.1,f=-5.6!) USER MOD Set 2.1: A 67 MET CE :methyl 158:sc= -0.31 (180deg=-0.882) USER MOD Set 2.2: A 90 SER OG : rot -140:sc= 0 USER MOD Set 3.1: A 72 GLN : amide:sc= -0.0142 X(o=-0.073,f=-0.059) USER MOD Set 3.2: A 81 THR OG1 : rot 180:sc= -0.0591 USER MOD Set 4.1: A 38 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 47 LYS NZ :NH3+ -135:sc= 0.626 (180deg=0.0127) USER MOD Single : A 39 THR OG1 : rot 142:sc= 0.714 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl 140:sc= -0.19 (180deg=-1.33) USER MOD Single : A 58 GLN : amide:sc= -0.109 X(o=-0.11,f=-0.25) USER MOD Single : A 65 MET CE :methyl -160:sc= -0.163 (180deg=-0.844) USER MOD Single : A 70 SER OG : rot -130:sc= -0.183 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot -101:sc= 1.16 USER MOD Single : A 85 TYR OH : rot 99:sc= 0.639 USER MOD Single : A 95 TYR OH : rot 77:sc= 0.355 USER MOD Single : A 107 GLN :FLIP amide:sc= -0.77 F(o=-1.8,f=-0.77) USER MOD Single : A 112 GLN : amide:sc= 0.267 K(o=0.27,f=-5.1!) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 ASN :FLIP amide:sc= -0.0636 F(o=-0.86,f=-0.064) USER MOD Single : A 124 LYS NZ :NH3+ -171:sc= -0.0021 (180deg=-0.132) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 100 N LEU A 36 3.883 -10.857 1.134 1.00 0.00 N ATOM 101 CA LEU A 36 2.517 -11.002 0.705 1.00 0.00 C ATOM 102 C LEU A 36 2.111 -9.752 -0.081 1.00 0.00 C ATOM 103 O LEU A 36 2.862 -8.779 -0.200 1.00 0.00 O ATOM 104 CB LEU A 36 1.650 -11.389 1.914 1.00 0.00 C ATOM 105 CG LEU A 36 1.621 -10.345 3.026 1.00 0.00 C ATOM 106 CD1 LEU A 36 0.875 -9.108 2.546 1.00 0.00 C ATOM 107 CD2 LEU A 36 0.932 -10.978 4.236 1.00 0.00 C ATOM 0 HA LEU A 36 2.369 -11.821 0.001 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.630 -11.568 1.573 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.018 -12.329 2.324 1.00 0.00 H new ATOM 0 HG LEU A 36 2.628 -10.033 3.303 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.855 -8.363 3.342 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.381 -8.694 1.674 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.146 -9.380 2.278 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.894 -10.256 5.052 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.082 -11.272 3.965 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.492 -11.857 4.555 1.00 0.00 H new ATOM 119 N PHE A 37 0.894 -9.771 -0.598 1.00 0.00 N ATOM 120 CA PHE A 37 0.253 -8.640 -1.251 1.00 0.00 C ATOM 121 C PHE A 37 -1.250 -8.873 -1.130 1.00 0.00 C ATOM 122 O PHE A 37 -1.708 -10.024 -1.102 1.00 0.00 O ATOM 123 CB PHE A 37 0.709 -8.570 -2.724 1.00 0.00 C ATOM 124 CG PHE A 37 0.520 -7.250 -3.461 1.00 0.00 C ATOM 125 CD1 PHE A 37 -0.696 -6.968 -4.112 1.00 0.00 C ATOM 126 CD2 PHE A 37 1.594 -6.345 -3.603 1.00 0.00 C ATOM 127 CE1 PHE A 37 -0.845 -5.789 -4.863 1.00 0.00 C ATOM 128 CE2 PHE A 37 1.449 -5.183 -4.382 1.00 0.00 C ATOM 129 CZ PHE A 37 0.231 -4.904 -5.014 1.00 0.00 C ATOM 0 H PHE A 37 0.304 -10.603 -0.574 1.00 0.00 H new ATOM 0 HA PHE A 37 0.521 -7.688 -0.793 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.768 -8.826 -2.760 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.176 -9.343 -3.278 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.520 -7.662 -4.034 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.534 -6.546 -3.110 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.794 -5.564 -5.326 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.281 -4.503 -4.493 1.00 0.00 H new ATOM 0 HZ PHE A 37 0.122 -4.013 -5.614 1.00 0.00 H new ATOM 139 N TYR A 38 -2.009 -7.789 -1.054 1.00 0.00 N ATOM 140 CA TYR A 38 -3.458 -7.743 -1.134 1.00 0.00 C ATOM 141 C TYR A 38 -3.839 -6.565 -2.029 1.00 0.00 C ATOM 142 O TYR A 38 -2.980 -5.833 -2.524 1.00 0.00 O ATOM 143 CB TYR A 38 -4.086 -7.600 0.257 1.00 0.00 C ATOM 144 CG TYR A 38 -3.807 -8.721 1.234 1.00 0.00 C ATOM 145 CD1 TYR A 38 -2.621 -8.725 1.988 1.00 0.00 C ATOM 146 CD2 TYR A 38 -4.731 -9.769 1.376 1.00 0.00 C ATOM 147 CE1 TYR A 38 -2.330 -9.800 2.851 1.00 0.00 C ATOM 148 CE2 TYR A 38 -4.422 -10.861 2.197 1.00 0.00 C ATOM 149 CZ TYR A 38 -3.221 -10.896 2.930 1.00 0.00 C ATOM 150 OH TYR A 38 -2.899 -12.048 3.576 1.00 0.00 O ATOM 0 H TYR A 38 -1.602 -6.862 -0.927 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.837 -8.674 -1.555 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -3.735 -6.667 0.697 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -5.166 -7.510 0.138 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.929 -7.900 1.905 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.676 -9.733 0.854 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.431 -9.787 3.449 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -5.114 -11.687 2.268 1.00 0.00 H new ATOM 0 HH TYR A 38 -3.648 -12.677 3.516 1.00 0.00 H new ATOM 160 N THR A 39 -5.128 -6.363 -2.219 1.00 0.00 N ATOM 161 CA THR A 39 -5.721 -5.338 -3.057 1.00 0.00 C ATOM 162 C THR A 39 -7.030 -4.911 -2.375 1.00 0.00 C ATOM 163 O THR A 39 -7.477 -5.614 -1.457 1.00 0.00 O ATOM 164 CB THR A 39 -5.924 -5.928 -4.473 1.00 0.00 C ATOM 165 OG1 THR A 39 -6.326 -7.280 -4.360 1.00 0.00 O ATOM 166 CG2 THR A 39 -4.634 -5.951 -5.298 1.00 0.00 C ATOM 0 H THR A 39 -5.832 -6.945 -1.765 1.00 0.00 H new ATOM 0 HA THR A 39 -5.094 -4.454 -3.173 1.00 0.00 H new ATOM 0 HB THR A 39 -6.664 -5.295 -4.963 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.992 -7.482 -5.050 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.838 -6.375 -6.281 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.257 -4.935 -5.412 1.00 0.00 H new ATOM 0 HG23 THR A 39 -3.887 -6.560 -4.788 1.00 0.00 H new ATOM 174 N PRO A 40 -7.640 -3.771 -2.740 1.00 0.00 N ATOM 175 CA PRO A 40 -8.901 -3.304 -2.172 1.00 0.00 C ATOM 176 C PRO A 40 -10.070 -4.135 -2.724 1.00 0.00 C ATOM 177 O PRO A 40 -10.965 -3.660 -3.414 1.00 0.00 O ATOM 178 CB PRO A 40 -8.974 -1.822 -2.532 1.00 0.00 C ATOM 179 CG PRO A 40 -8.267 -1.777 -3.870 1.00 0.00 C ATOM 180 CD PRO A 40 -7.148 -2.793 -3.696 1.00 0.00 C ATOM 0 HA PRO A 40 -8.962 -3.425 -1.090 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -10.004 -1.472 -2.605 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -8.477 -1.198 -1.789 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -8.934 -2.047 -4.689 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.879 -0.782 -4.089 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.900 -3.267 -4.646 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.239 -2.314 -3.332 1.00 0.00 H new ATOM 188 N GLY A 41 -10.055 -5.415 -2.393 1.00 0.00 N ATOM 189 CA GLY A 41 -11.002 -6.415 -2.810 1.00 0.00 C ATOM 190 C GLY A 41 -10.586 -7.692 -2.131 1.00 0.00 C ATOM 191 O GLY A 41 -11.347 -8.265 -1.364 1.00 0.00 O ATOM 0 H GLY A 41 -9.331 -5.800 -1.786 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -12.016 -6.134 -2.525 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -10.996 -6.530 -3.894 1.00 0.00 H new ATOM 195 N GLU A 42 -9.310 -8.041 -2.242 1.00 0.00 N ATOM 196 CA GLU A 42 -8.775 -9.238 -1.620 1.00 0.00 C ATOM 197 C GLU A 42 -8.574 -9.054 -0.107 1.00 0.00 C ATOM 198 O GLU A 42 -8.188 -9.994 0.589 1.00 0.00 O ATOM 199 CB GLU A 42 -7.466 -9.577 -2.316 1.00 0.00 C ATOM 200 CG GLU A 42 -7.626 -10.216 -3.707 1.00 0.00 C ATOM 201 CD GLU A 42 -8.556 -9.563 -4.748 1.00 0.00 C ATOM 202 OE1 GLU A 42 -9.791 -9.697 -4.668 1.00 0.00 O ATOM 203 OE2 GLU A 42 -8.031 -8.928 -5.697 1.00 0.00 O ATOM 0 H GLU A 42 -8.621 -7.501 -2.765 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.483 -10.059 -1.731 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.876 -8.666 -2.415 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.898 -10.257 -1.681 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.633 -10.278 -4.152 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.973 -11.238 -3.557 1.00 0.00 H new ATOM 210 N ILE A 43 -8.831 -7.850 0.414 1.00 0.00 N ATOM 211 CA ILE A 43 -8.959 -7.591 1.840 1.00 0.00 C ATOM 212 C ILE A 43 -10.444 -7.665 2.223 1.00 0.00 C ATOM 213 O ILE A 43 -10.745 -8.095 3.328 1.00 0.00 O ATOM 214 CB ILE A 43 -8.279 -6.239 2.189 1.00 0.00 C ATOM 215 CG1 ILE A 43 -6.760 -6.339 1.898 1.00 0.00 C ATOM 216 CG2 ILE A 43 -8.557 -5.842 3.650 1.00 0.00 C ATOM 217 CD1 ILE A 43 -5.822 -5.433 2.703 1.00 0.00 C ATOM 0 H ILE A 43 -8.957 -7.016 -0.160 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.442 -8.346 2.433 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.700 -5.451 1.564 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.454 -7.372 2.064 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.606 -6.127 0.840 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.069 -4.892 3.868 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.632 -5.742 3.802 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.167 -6.611 4.317 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.792 -5.610 2.394 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.081 -4.390 2.523 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.926 -5.654 3.765 1.00 0.00 H new ATOM 229 N LEU A 44 -11.368 -7.254 1.349 1.00 0.00 N ATOM 230 CA LEU A 44 -12.782 -7.121 1.650 1.00 0.00 C ATOM 231 C LEU A 44 -13.514 -8.441 1.461 1.00 0.00 C ATOM 232 O LEU A 44 -14.127 -8.944 2.395 1.00 0.00 O ATOM 233 CB LEU A 44 -13.395 -6.023 0.767 1.00 0.00 C ATOM 234 CG LEU A 44 -12.852 -4.654 1.174 1.00 0.00 C ATOM 235 CD1 LEU A 44 -11.608 -4.222 0.412 1.00 0.00 C ATOM 236 CD2 LEU A 44 -13.915 -3.575 1.035 1.00 0.00 C ATOM 0 H LEU A 44 -11.138 -7.000 0.388 1.00 0.00 H new ATOM 0 HA LEU A 44 -12.890 -6.838 2.697 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -13.164 -6.217 -0.280 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -14.481 -6.034 0.861 1.00 0.00 H new ATOM 0 HG LEU A 44 -12.564 -4.772 2.219 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -11.289 -3.240 0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -10.809 -4.944 0.580 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.833 -4.171 -0.653 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -13.498 -2.613 1.332 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -14.246 -3.522 -0.002 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -14.764 -3.816 1.675 1.00 0.00 H new ATOM 248 N TYR A 45 -13.435 -8.993 0.259 1.00 0.00 N ATOM 249 CA TYR A 45 -14.026 -10.245 -0.182 1.00 0.00 C ATOM 250 C TYR A 45 -13.087 -11.403 0.169 1.00 0.00 C ATOM 251 O TYR A 45 -13.547 -12.508 0.434 1.00 0.00 O ATOM 252 CB TYR A 45 -14.249 -10.166 -1.702 1.00 0.00 C ATOM 253 CG TYR A 45 -15.128 -9.010 -2.165 1.00 0.00 C ATOM 254 CD1 TYR A 45 -14.639 -7.688 -2.164 1.00 0.00 C ATOM 255 CD2 TYR A 45 -16.445 -9.253 -2.601 1.00 0.00 C ATOM 256 CE1 TYR A 45 -15.443 -6.628 -2.605 1.00 0.00 C ATOM 257 CE2 TYR A 45 -17.258 -8.195 -3.056 1.00 0.00 C ATOM 258 CZ TYR A 45 -16.758 -6.871 -3.057 1.00 0.00 C ATOM 259 OH TYR A 45 -17.516 -5.814 -3.465 1.00 0.00 O ATOM 0 H TYR A 45 -12.914 -8.540 -0.492 1.00 0.00 H new ATOM 0 HA TYR A 45 -14.981 -10.416 0.315 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -13.279 -10.084 -2.193 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -14.698 -11.101 -2.037 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -13.635 -7.490 -1.820 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -16.836 -10.260 -2.587 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -15.054 -5.620 -2.599 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -18.261 -8.395 -3.403 1.00 0.00 H new ATOM 0 HH TYR A 45 -18.397 -6.134 -3.750 1.00 0.00 H new ATOM 269 N GLY A 46 -11.777 -11.141 0.239 1.00 0.00 N ATOM 270 CA GLY A 46 -10.770 -12.073 0.719 1.00 0.00 C ATOM 271 C GLY A 46 -9.777 -12.456 -0.368 1.00 0.00 C ATOM 272 O GLY A 46 -10.034 -12.333 -1.560 1.00 0.00 O ATOM 0 H GLY A 46 -11.384 -10.244 -0.048 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.235 -11.627 1.557 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -11.259 -12.972 1.095 1.00 0.00 H new ATOM 276 N LYS A 47 -8.605 -12.924 0.068 1.00 0.00 N ATOM 277 CA LYS A 47 -7.473 -13.296 -0.775 1.00 0.00 C ATOM 278 C LYS A 47 -7.927 -14.180 -1.923 1.00 0.00 C ATOM 279 O LYS A 47 -8.458 -15.237 -1.632 1.00 0.00 O ATOM 280 CB LYS A 47 -6.429 -14.008 0.093 1.00 0.00 C ATOM 281 CG LYS A 47 -5.055 -14.045 -0.585 1.00 0.00 C ATOM 282 CD LYS A 47 -4.121 -13.087 0.138 1.00 0.00 C ATOM 283 CE LYS A 47 -2.701 -13.229 -0.369 1.00 0.00 C ATOM 284 NZ LYS A 47 -1.676 -12.765 0.585 1.00 0.00 N ATOM 0 H LYS A 47 -8.414 -13.059 1.061 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.029 -12.402 -1.213 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.347 -13.499 1.053 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.760 -15.026 0.299 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.650 -15.057 -0.560 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.145 -13.763 -1.634 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.462 -12.062 -0.007 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.150 -13.284 1.210 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.514 -14.276 -0.607 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.599 -12.668 -1.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.971 -12.187 0.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.127 -12.194 1.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.206 -13.586 1.017 1.00 0.00 H new ATOM 385 N MET A 53 -8.127 -14.274 4.628 1.00 0.00 N ATOM 386 CA MET A 53 -8.077 -12.875 5.043 1.00 0.00 C ATOM 387 C MET A 53 -6.671 -12.447 5.504 1.00 0.00 C ATOM 388 O MET A 53 -5.827 -13.286 5.835 1.00 0.00 O ATOM 389 CB MET A 53 -9.151 -12.640 6.117 1.00 0.00 C ATOM 390 CG MET A 53 -10.521 -12.464 5.472 1.00 0.00 C ATOM 391 SD MET A 53 -10.979 -10.721 5.402 1.00 0.00 S ATOM 392 CE MET A 53 -12.107 -10.785 3.993 1.00 0.00 C ATOM 0 HA MET A 53 -8.293 -12.240 4.184 1.00 0.00 H new ATOM 0 HB2 MET A 53 -9.173 -13.483 6.808 1.00 0.00 H new ATOM 0 HB3 MET A 53 -8.901 -11.755 6.702 1.00 0.00 H new ATOM 0 HG2 MET A 53 -10.510 -12.882 4.465 1.00 0.00 H new ATOM 0 HG3 MET A 53 -11.269 -13.018 6.039 1.00 0.00 H new ATOM 0 HE1 MET A 53 -12.965 -10.140 4.184 1.00 0.00 H new ATOM 0 HE2 MET A 53 -11.589 -10.444 3.096 1.00 0.00 H new ATOM 0 HE3 MET A 53 -12.449 -11.810 3.847 1.00 0.00 H new ATOM 402 N PRO A 54 -6.356 -11.141 5.505 1.00 0.00 N ATOM 403 CA PRO A 54 -5.334 -10.600 6.389 1.00 0.00 C ATOM 404 C PRO A 54 -5.908 -10.476 7.812 1.00 0.00 C ATOM 405 O PRO A 54 -7.126 -10.429 8.002 1.00 0.00 O ATOM 406 CB PRO A 54 -5.009 -9.226 5.802 1.00 0.00 C ATOM 407 CG PRO A 54 -6.355 -8.773 5.231 1.00 0.00 C ATOM 408 CD PRO A 54 -7.002 -10.074 4.749 1.00 0.00 C ATOM 0 HA PRO A 54 -4.445 -11.226 6.458 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.641 -8.538 6.563 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.242 -9.287 5.030 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -6.965 -8.279 5.987 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -6.225 -8.064 4.414 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -8.078 -10.065 4.926 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -6.856 -10.210 3.677 1.00 0.00 H new ATOM 416 N GLU A 55 -5.047 -10.349 8.815 1.00 0.00 N ATOM 417 CA GLU A 55 -5.451 -9.853 10.124 1.00 0.00 C ATOM 418 C GLU A 55 -5.544 -8.323 10.058 1.00 0.00 C ATOM 419 O GLU A 55 -4.829 -7.687 9.280 1.00 0.00 O ATOM 420 CB GLU A 55 -4.409 -10.292 11.168 1.00 0.00 C ATOM 421 CG GLU A 55 -4.936 -11.366 12.116 1.00 0.00 C ATOM 422 CD GLU A 55 -3.845 -11.704 13.126 1.00 0.00 C ATOM 423 OE1 GLU A 55 -2.966 -12.542 12.810 1.00 0.00 O ATOM 424 OE2 GLU A 55 -3.810 -11.081 14.214 1.00 0.00 O ATOM 0 H GLU A 55 -4.057 -10.585 8.745 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.422 -10.257 10.410 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.524 -10.669 10.655 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.095 -9.424 11.748 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.830 -11.011 12.630 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -5.222 -12.257 11.557 1.00 0.00 H new ATOM 431 N VAL A 56 -6.385 -7.729 10.896 1.00 0.00 N ATOM 432 CA VAL A 56 -6.619 -6.281 10.931 1.00 0.00 C ATOM 433 C VAL A 56 -5.665 -5.570 11.912 1.00 0.00 C ATOM 434 O VAL A 56 -5.644 -4.351 12.012 1.00 0.00 O ATOM 435 CB VAL A 56 -8.120 -6.037 11.200 1.00 0.00 C ATOM 436 CG1 VAL A 56 -8.478 -4.557 11.276 1.00 0.00 C ATOM 437 CG2 VAL A 56 -9.016 -6.658 10.115 1.00 0.00 C ATOM 0 H VAL A 56 -6.935 -8.244 11.584 1.00 0.00 H new ATOM 0 HA VAL A 56 -6.382 -5.830 9.967 1.00 0.00 H new ATOM 0 HB VAL A 56 -8.300 -6.512 12.164 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.546 -4.450 11.467 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.916 -4.088 12.084 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.228 -4.073 10.332 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -10.062 -6.459 10.349 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -8.771 -6.221 9.147 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -8.851 -7.735 10.079 1.00 0.00 H new ATOM 447 N GLY A 57 -4.786 -6.322 12.559 1.00 0.00 N ATOM 448 CA GLY A 57 -3.635 -5.802 13.272 1.00 0.00 C ATOM 449 C GLY A 57 -2.432 -6.635 12.882 1.00 0.00 C ATOM 450 O GLY A 57 -1.875 -7.324 13.735 1.00 0.00 O ATOM 0 H GLY A 57 -4.859 -7.339 12.602 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.472 -4.754 13.020 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.799 -5.849 14.348 1.00 0.00 H new ATOM 454 N GLN A 58 -2.078 -6.631 11.593 1.00 0.00 N ATOM 455 CA GLN A 58 -0.814 -7.181 11.101 1.00 0.00 C ATOM 456 C GLN A 58 -0.217 -6.289 10.004 1.00 0.00 C ATOM 457 O GLN A 58 -0.869 -5.336 9.566 1.00 0.00 O ATOM 458 CB GLN A 58 -1.006 -8.624 10.611 1.00 0.00 C ATOM 459 CG GLN A 58 -1.779 -8.768 9.295 1.00 0.00 C ATOM 460 CD GLN A 58 -1.310 -9.900 8.388 1.00 0.00 C ATOM 461 OE1 GLN A 58 -0.721 -10.888 8.819 1.00 0.00 O ATOM 462 NE2 GLN A 58 -1.596 -9.783 7.100 1.00 0.00 N ATOM 0 H GLN A 58 -2.667 -6.242 10.857 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.104 -7.202 11.927 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.025 -9.083 10.490 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.528 -9.187 11.384 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.833 -8.922 9.526 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.707 -7.830 8.745 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.086 -8.956 6.759 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.327 -10.520 6.449 1.00 0.00 H new ATOM 471 N ARG A 59 0.985 -6.630 9.516 1.00 0.00 N ATOM 472 CA ARG A 59 1.645 -5.933 8.415 1.00 0.00 C ATOM 473 C ARG A 59 1.283 -6.557 7.071 1.00 0.00 C ATOM 474 O ARG A 59 1.251 -7.784 6.967 1.00 0.00 O ATOM 475 CB ARG A 59 3.153 -5.813 8.689 1.00 0.00 C ATOM 476 CG ARG A 59 4.058 -6.961 8.209 1.00 0.00 C ATOM 477 CD ARG A 59 5.541 -6.710 8.519 1.00 0.00 C ATOM 478 NE ARG A 59 5.850 -6.770 9.960 1.00 0.00 N ATOM 479 CZ ARG A 59 5.756 -5.785 10.864 1.00 0.00 C ATOM 480 NH1 ARG A 59 5.436 -4.546 10.499 1.00 0.00 N ATOM 481 NH2 ARG A 59 5.965 -6.064 12.144 1.00 0.00 N ATOM 0 H ARG A 59 1.529 -7.410 9.884 1.00 0.00 H new ATOM 0 HA ARG A 59 1.276 -4.910 8.351 1.00 0.00 H new ATOM 0 HB2 ARG A 59 3.506 -4.891 8.227 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.291 -5.703 9.765 1.00 0.00 H new ATOM 0 HG2 ARG A 59 3.743 -7.890 8.684 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.932 -7.094 7.134 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.146 -7.449 7.993 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.826 -5.731 8.133 1.00 0.00 H new ATOM 0 HE ARG A 59 6.175 -7.671 10.311 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.258 -4.333 9.517 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.369 -3.809 11.201 1.00 0.00 H new ATOM 0 HH21 ARG A 59 6.193 -7.017 12.428 1.00 0.00 H new ATOM 0 HH22 ARG A 59 5.897 -5.326 12.845 1.00 0.00 H new ATOM 495 N LEU A 60 0.967 -5.741 6.057 1.00 0.00 N ATOM 496 CA LEU A 60 0.649 -6.169 4.706 1.00 0.00 C ATOM 497 C LEU A 60 0.846 -5.052 3.678 1.00 0.00 C ATOM 498 O LEU A 60 1.158 -3.908 4.008 1.00 0.00 O ATOM 499 CB LEU A 60 -0.751 -6.812 4.603 1.00 0.00 C ATOM 500 CG LEU A 60 -2.033 -6.135 5.088 1.00 0.00 C ATOM 501 CD1 LEU A 60 -1.988 -5.959 6.589 1.00 0.00 C ATOM 502 CD2 LEU A 60 -2.406 -4.834 4.386 1.00 0.00 C ATOM 0 H LEU A 60 0.927 -4.728 6.169 1.00 0.00 H new ATOM 0 HA LEU A 60 1.368 -6.950 4.459 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.906 -7.040 3.549 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.690 -7.764 5.130 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.838 -6.815 4.810 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.905 -5.476 6.926 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.894 -6.934 7.067 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.132 -5.340 6.857 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.331 -4.444 4.811 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.608 -4.105 4.523 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.547 -5.022 3.322 1.00 0.00 H new ATOM 514 N ARG A 61 0.655 -5.413 2.408 1.00 0.00 N ATOM 515 CA ARG A 61 0.733 -4.577 1.218 1.00 0.00 C ATOM 516 C ARG A 61 -0.645 -4.484 0.583 1.00 0.00 C ATOM 517 O ARG A 61 -1.391 -5.464 0.621 1.00 0.00 O ATOM 518 CB ARG A 61 1.709 -5.236 0.226 1.00 0.00 C ATOM 519 CG ARG A 61 3.098 -4.626 0.304 1.00 0.00 C ATOM 520 CD ARG A 61 4.064 -5.269 -0.694 1.00 0.00 C ATOM 521 NE ARG A 61 4.111 -4.535 -1.970 1.00 0.00 N ATOM 522 CZ ARG A 61 5.205 -3.976 -2.505 1.00 0.00 C ATOM 523 NH1 ARG A 61 6.253 -3.660 -1.754 1.00 0.00 N ATOM 524 NH2 ARG A 61 5.257 -3.761 -3.817 1.00 0.00 N ATOM 0 H ARG A 61 0.423 -6.377 2.170 1.00 0.00 H new ATOM 0 HA ARG A 61 1.080 -3.577 1.478 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.770 -6.304 0.433 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.323 -5.129 -0.788 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.035 -3.555 0.109 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.489 -4.744 1.314 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.063 -5.305 -0.260 1.00 0.00 H new ATOM 0 HD3 ARG A 61 3.760 -6.299 -0.880 1.00 0.00 H new ATOM 0 HE ARG A 61 3.238 -4.445 -2.490 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.235 -3.842 -0.751 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.076 -3.235 -2.180 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.468 -4.021 -4.408 1.00 0.00 H new ATOM 0 HH22 ARG A 61 6.086 -3.336 -4.232 1.00 0.00 H new ATOM 538 N VAL A 62 -0.935 -3.356 -0.061 1.00 0.00 N ATOM 539 CA VAL A 62 -2.089 -3.156 -0.924 1.00 0.00 C ATOM 540 C VAL A 62 -1.593 -2.499 -2.211 1.00 0.00 C ATOM 541 O VAL A 62 -0.800 -1.562 -2.146 1.00 0.00 O ATOM 542 CB VAL A 62 -3.177 -2.337 -0.201 1.00 0.00 C ATOM 543 CG1 VAL A 62 -4.329 -1.956 -1.141 1.00 0.00 C ATOM 544 CG2 VAL A 62 -3.764 -3.143 0.964 1.00 0.00 C ATOM 0 H VAL A 62 -0.347 -2.525 0.009 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.563 -4.104 -1.177 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.696 -1.428 0.161 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.073 -1.380 -0.590 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -3.943 -1.356 -1.965 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.791 -2.861 -1.536 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.531 -2.552 1.465 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.206 -4.064 0.583 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.973 -3.387 1.673 1.00 0.00 H new ATOM 554 N GLY A 63 -2.025 -2.959 -3.381 1.00 0.00 N ATOM 555 CA GLY A 63 -2.005 -2.177 -4.612 1.00 0.00 C ATOM 556 C GLY A 63 -3.437 -1.797 -4.950 1.00 0.00 C ATOM 557 O GLY A 63 -4.341 -2.595 -4.715 1.00 0.00 O ATOM 0 H GLY A 63 -2.404 -3.898 -3.502 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.393 -1.284 -4.486 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.562 -2.755 -5.423 1.00 0.00 H new ATOM 561 N GLY A 64 -3.665 -0.605 -5.487 1.00 0.00 N ATOM 562 CA GLY A 64 -5.008 -0.166 -5.849 1.00 0.00 C ATOM 563 C GLY A 64 -4.992 1.213 -6.489 1.00 0.00 C ATOM 564 O GLY A 64 -3.975 1.907 -6.451 1.00 0.00 O ATOM 0 H GLY A 64 -2.934 0.079 -5.682 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.452 -0.883 -6.539 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.638 -0.148 -4.959 1.00 0.00 H new ATOM 568 N MET A 65 -6.114 1.611 -7.082 1.00 0.00 N ATOM 569 CA MET A 65 -6.276 2.831 -7.853 1.00 0.00 C ATOM 570 C MET A 65 -6.804 3.945 -6.950 1.00 0.00 C ATOM 571 O MET A 65 -7.832 3.763 -6.309 1.00 0.00 O ATOM 572 CB MET A 65 -7.220 2.554 -9.026 1.00 0.00 C ATOM 573 CG MET A 65 -7.093 3.652 -10.087 1.00 0.00 C ATOM 574 SD MET A 65 -7.841 3.287 -11.697 1.00 0.00 S ATOM 575 CE MET A 65 -6.908 1.807 -12.149 1.00 0.00 C ATOM 0 H MET A 65 -6.973 1.063 -7.033 1.00 0.00 H new ATOM 0 HA MET A 65 -5.317 3.160 -8.254 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.987 1.585 -9.467 1.00 0.00 H new ATOM 0 HB3 MET A 65 -8.248 2.502 -8.669 1.00 0.00 H new ATOM 0 HG2 MET A 65 -7.546 4.563 -9.696 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.034 3.863 -10.239 1.00 0.00 H new ATOM 0 HE1 MET A 65 -6.971 1.652 -13.226 1.00 0.00 H new ATOM 0 HE2 MET A 65 -5.864 1.933 -11.861 1.00 0.00 H new ATOM 0 HE3 MET A 65 -7.325 0.942 -11.633 1.00 0.00 H new ATOM 585 N VAL A 66 -6.103 5.074 -6.818 1.00 0.00 N ATOM 586 CA VAL A 66 -6.546 6.130 -5.901 1.00 0.00 C ATOM 587 C VAL A 66 -7.857 6.717 -6.408 1.00 0.00 C ATOM 588 O VAL A 66 -8.001 6.953 -7.605 1.00 0.00 O ATOM 589 CB VAL A 66 -5.464 7.188 -5.600 1.00 0.00 C ATOM 590 CG1 VAL A 66 -4.350 7.412 -6.585 1.00 0.00 C ATOM 591 CG2 VAL A 66 -5.981 8.525 -5.043 1.00 0.00 C ATOM 0 H VAL A 66 -5.242 5.280 -7.324 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.728 5.681 -4.925 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.975 6.639 -4.795 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.684 8.190 -6.211 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.789 6.487 -6.717 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.768 7.722 -7.543 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.140 9.195 -4.867 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.663 8.979 -5.762 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.507 8.349 -4.105 1.00 0.00 H new ATOM 601 N MET A 67 -8.799 6.967 -5.504 1.00 0.00 N ATOM 602 CA MET A 67 -10.056 7.633 -5.806 1.00 0.00 C ATOM 603 C MET A 67 -9.838 9.062 -6.312 1.00 0.00 C ATOM 604 O MET A 67 -8.968 9.780 -5.808 1.00 0.00 O ATOM 605 CB MET A 67 -10.903 7.703 -4.540 1.00 0.00 C ATOM 606 CG MET A 67 -11.613 6.386 -4.278 1.00 0.00 C ATOM 607 SD MET A 67 -12.803 6.519 -2.930 1.00 0.00 S ATOM 608 CE MET A 67 -13.374 4.813 -2.964 1.00 0.00 C ATOM 0 H MET A 67 -8.706 6.706 -4.522 1.00 0.00 H new ATOM 0 HA MET A 67 -10.554 7.058 -6.587 1.00 0.00 H new ATOM 0 HB2 MET A 67 -10.269 7.953 -3.689 1.00 0.00 H new ATOM 0 HB3 MET A 67 -11.638 8.502 -4.635 1.00 0.00 H new ATOM 0 HG2 MET A 67 -12.126 6.064 -5.184 1.00 0.00 H new ATOM 0 HG3 MET A 67 -10.877 5.619 -4.038 1.00 0.00 H new ATOM 0 HE1 MET A 67 -13.811 4.556 -1.999 1.00 0.00 H new ATOM 0 HE2 MET A 67 -14.126 4.696 -3.745 1.00 0.00 H new ATOM 0 HE3 MET A 67 -12.532 4.152 -3.169 1.00 0.00 H new ATOM 618 N PRO A 68 -10.673 9.509 -7.260 1.00 0.00 N ATOM 619 CA PRO A 68 -10.695 10.871 -7.764 1.00 0.00 C ATOM 620 C PRO A 68 -11.453 11.800 -6.797 1.00 0.00 C ATOM 621 O PRO A 68 -12.485 12.382 -7.140 1.00 0.00 O ATOM 622 CB PRO A 68 -11.355 10.736 -9.141 1.00 0.00 C ATOM 623 CG PRO A 68 -12.351 9.592 -8.955 1.00 0.00 C ATOM 624 CD PRO A 68 -11.660 8.694 -7.952 1.00 0.00 C ATOM 0 HA PRO A 68 -9.710 11.330 -7.847 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -11.855 11.658 -9.437 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -10.623 10.507 -9.915 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -13.311 9.950 -8.582 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -12.548 9.072 -9.893 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -12.380 8.278 -7.247 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -11.182 7.852 -8.453 1.00 0.00 H new ATOM 632 N GLY A 69 -10.951 11.924 -5.570 1.00 0.00 N ATOM 633 CA GLY A 69 -11.497 12.800 -4.540 1.00 0.00 C ATOM 634 C GLY A 69 -11.341 12.163 -3.169 1.00 0.00 C ATOM 635 O GLY A 69 -12.343 11.820 -2.539 1.00 0.00 O ATOM 0 H GLY A 69 -10.131 11.403 -5.258 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.985 13.762 -4.562 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.551 12.995 -4.740 1.00 0.00 H new ATOM 639 N SER A 70 -10.105 11.932 -2.714 1.00 0.00 N ATOM 640 CA SER A 70 -9.877 11.433 -1.349 1.00 0.00 C ATOM 641 C SER A 70 -8.537 11.808 -0.731 1.00 0.00 C ATOM 642 O SER A 70 -8.422 11.750 0.484 1.00 0.00 O ATOM 643 CB SER A 70 -9.978 9.903 -1.293 1.00 0.00 C ATOM 644 OG SER A 70 -11.156 9.439 -1.903 1.00 0.00 O ATOM 0 H SER A 70 -9.256 12.079 -3.260 1.00 0.00 H new ATOM 0 HA SER A 70 -10.661 11.923 -0.772 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.113 9.462 -1.789 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.952 9.574 -0.254 1.00 0.00 H new ATOM 0 HG SER A 70 -11.613 8.816 -1.300 1.00 0.00 H new ATOM 650 N VAL A 71 -7.497 12.106 -1.511 1.00 0.00 N ATOM 651 CA VAL A 71 -6.175 12.406 -0.969 1.00 0.00 C ATOM 652 C VAL A 71 -6.172 13.749 -0.206 1.00 0.00 C ATOM 653 O VAL A 71 -6.129 14.830 -0.796 1.00 0.00 O ATOM 654 CB VAL A 71 -5.086 12.208 -2.043 1.00 0.00 C ATOM 655 CG1 VAL A 71 -5.527 12.639 -3.438 1.00 0.00 C ATOM 656 CG2 VAL A 71 -3.748 12.818 -1.618 1.00 0.00 C ATOM 0 H VAL A 71 -7.548 12.146 -2.529 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.909 11.685 -0.196 1.00 0.00 H new ATOM 0 HB VAL A 71 -4.925 11.133 -2.122 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.714 12.473 -4.144 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -6.396 12.055 -3.741 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -5.787 13.697 -3.427 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.009 12.656 -2.403 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.872 13.888 -1.452 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.409 12.345 -0.697 1.00 0.00 H new ATOM 666 N GLN A 72 -6.245 13.641 1.119 1.00 0.00 N ATOM 667 CA GLN A 72 -6.112 14.608 2.194 1.00 0.00 C ATOM 668 C GLN A 72 -4.636 14.819 2.507 1.00 0.00 C ATOM 669 O GLN A 72 -4.090 14.206 3.433 1.00 0.00 O ATOM 670 CB GLN A 72 -6.830 14.101 3.463 1.00 0.00 C ATOM 671 CG GLN A 72 -8.215 13.532 3.191 1.00 0.00 C ATOM 672 CD GLN A 72 -9.122 13.590 4.411 1.00 0.00 C ATOM 673 OE1 GLN A 72 -10.279 13.982 4.304 1.00 0.00 O ATOM 674 NE2 GLN A 72 -8.634 13.198 5.578 1.00 0.00 N ATOM 0 H GLN A 72 -6.429 12.721 1.518 1.00 0.00 H new ATOM 0 HA GLN A 72 -6.565 15.548 1.879 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -6.217 13.333 3.935 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -6.917 14.922 4.174 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.677 14.085 2.373 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -8.120 12.497 2.862 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -7.669 12.875 5.645 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -9.224 13.219 6.410 1.00 0.00 H new ATOM 683 N ARG A 73 -3.948 15.649 1.734 1.00 0.00 N ATOM 684 CA ARG A 73 -2.582 16.025 2.117 1.00 0.00 C ATOM 685 C ARG A 73 -2.664 17.059 3.232 1.00 0.00 C ATOM 686 O ARG A 73 -3.545 17.925 3.195 1.00 0.00 O ATOM 687 CB ARG A 73 -1.761 16.526 0.927 1.00 0.00 C ATOM 688 CG ARG A 73 -1.888 15.644 -0.326 1.00 0.00 C ATOM 689 CD ARG A 73 -0.696 15.815 -1.273 1.00 0.00 C ATOM 690 NE ARG A 73 -1.111 15.873 -2.688 1.00 0.00 N ATOM 691 CZ ARG A 73 -0.307 15.782 -3.755 1.00 0.00 C ATOM 692 NH1 ARG A 73 1.008 15.676 -3.608 1.00 0.00 N ATOM 693 NH2 ARG A 73 -0.814 15.794 -4.981 1.00 0.00 N ATOM 0 H ARG A 73 -4.291 16.065 0.868 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.055 15.142 2.478 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.076 17.540 0.680 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -0.712 16.580 1.218 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.966 14.599 -0.027 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.809 15.894 -0.853 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -0.158 16.728 -1.016 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -0.002 14.986 -1.134 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.107 15.994 -2.871 1.00 0.00 H new ATOM 0 HH11 ARG A 73 1.417 15.663 -2.674 1.00 0.00 H new ATOM 0 HH12 ARG A 73 1.609 15.607 -4.429 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -1.822 15.873 -5.115 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -0.196 15.724 -5.789 1.00 0.00 H new ATOM 758 N LEU A 78 3.473 16.465 6.232 1.00 0.00 N ATOM 759 CA LEU A 78 3.550 15.540 5.101 1.00 0.00 C ATOM 760 C LEU A 78 2.728 14.283 5.404 1.00 0.00 C ATOM 761 O LEU A 78 2.770 13.306 4.644 1.00 0.00 O ATOM 762 CB LEU A 78 5.013 15.190 4.781 1.00 0.00 C ATOM 763 CG LEU A 78 5.683 16.011 3.664 1.00 0.00 C ATOM 764 CD1 LEU A 78 5.141 15.656 2.273 1.00 0.00 C ATOM 765 CD2 LEU A 78 5.575 17.517 3.891 1.00 0.00 C ATOM 0 HA LEU A 78 3.131 16.022 4.218 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.600 15.309 5.692 1.00 0.00 H new ATOM 0 HB3 LEU A 78 5.060 14.136 4.506 1.00 0.00 H new ATOM 0 HG LEU A 78 6.738 15.739 3.704 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.645 16.262 1.520 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.323 14.601 2.070 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.069 15.853 2.239 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.065 18.044 3.072 1.00 0.00 H new ATOM 0 HD22 LEU A 78 4.524 17.805 3.931 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.059 17.779 4.832 1.00 0.00 H new ATOM 777 N LYS A 79 1.958 14.293 6.498 1.00 0.00 N ATOM 778 CA LYS A 79 0.845 13.378 6.691 1.00 0.00 C ATOM 779 C LYS A 79 -0.027 13.415 5.441 1.00 0.00 C ATOM 780 O LYS A 79 -0.175 14.449 4.781 1.00 0.00 O ATOM 781 CB LYS A 79 0.050 13.758 7.958 1.00 0.00 C ATOM 782 CG LYS A 79 -0.259 12.568 8.877 1.00 0.00 C ATOM 783 CD LYS A 79 -1.371 11.643 8.352 1.00 0.00 C ATOM 784 CE LYS A 79 -2.252 11.061 9.467 1.00 0.00 C ATOM 785 NZ LYS A 79 -1.538 10.105 10.338 1.00 0.00 N ATOM 0 H LYS A 79 2.096 14.941 7.273 1.00 0.00 H new ATOM 0 HA LYS A 79 1.208 12.361 6.840 1.00 0.00 H new ATOM 0 HB2 LYS A 79 0.615 14.502 8.520 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -0.887 14.228 7.660 1.00 0.00 H new ATOM 0 HG2 LYS A 79 0.650 11.983 9.015 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -0.548 12.945 9.858 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.998 12.199 7.655 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -0.919 10.825 7.791 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -2.640 11.877 10.077 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -3.111 10.562 9.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.187 9.749 11.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -1.190 9.309 9.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -0.734 10.583 10.792 1.00 0.00 H new ATOM 799 N VAL A 80 -0.587 12.270 5.109 1.00 0.00 N ATOM 800 CA VAL A 80 -1.612 12.154 4.100 1.00 0.00 C ATOM 801 C VAL A 80 -2.733 11.280 4.629 1.00 0.00 C ATOM 802 O VAL A 80 -2.603 10.581 5.639 1.00 0.00 O ATOM 803 CB VAL A 80 -1.054 11.616 2.768 1.00 0.00 C ATOM 804 CG1 VAL A 80 -1.522 12.506 1.641 1.00 0.00 C ATOM 805 CG2 VAL A 80 0.459 11.488 2.631 1.00 0.00 C ATOM 0 H VAL A 80 -0.336 11.381 5.542 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.004 13.148 3.884 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.437 10.596 2.734 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.131 12.131 0.695 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.611 12.508 1.608 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.162 13.521 1.806 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.703 11.097 1.643 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.920 12.468 2.758 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.837 10.807 3.394 1.00 0.00 H new ATOM 815 N THR A 81 -3.853 11.307 3.928 1.00 0.00 N ATOM 816 CA THR A 81 -4.891 10.312 4.052 1.00 0.00 C ATOM 817 C THR A 81 -5.477 10.200 2.650 1.00 0.00 C ATOM 818 O THR A 81 -5.878 11.225 2.131 1.00 0.00 O ATOM 819 CB THR A 81 -5.913 10.726 5.125 1.00 0.00 C ATOM 820 OG1 THR A 81 -5.340 11.592 6.102 1.00 0.00 O ATOM 821 CG2 THR A 81 -6.361 9.480 5.867 1.00 0.00 C ATOM 0 H THR A 81 -4.065 12.036 3.246 1.00 0.00 H new ATOM 0 HA THR A 81 -4.529 9.341 4.391 1.00 0.00 H new ATOM 0 HB THR A 81 -6.731 11.238 4.619 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.021 11.833 6.765 1.00 0.00 H new ATOM 0 HG21 THR A 81 -7.087 9.754 6.633 1.00 0.00 H new ATOM 0 HG22 THR A 81 -6.820 8.784 5.165 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.499 9.007 6.337 1.00 0.00 H new ATOM 829 N PHE A 82 -5.393 9.073 1.950 1.00 0.00 N ATOM 830 CA PHE A 82 -6.109 8.874 0.685 1.00 0.00 C ATOM 831 C PHE A 82 -6.977 7.617 0.725 1.00 0.00 C ATOM 832 O PHE A 82 -6.904 6.855 1.682 1.00 0.00 O ATOM 833 CB PHE A 82 -5.124 8.933 -0.497 1.00 0.00 C ATOM 834 CG PHE A 82 -4.063 7.857 -0.678 1.00 0.00 C ATOM 835 CD1 PHE A 82 -2.816 7.963 -0.035 1.00 0.00 C ATOM 836 CD2 PHE A 82 -4.256 6.801 -1.583 1.00 0.00 C ATOM 837 CE1 PHE A 82 -1.743 7.129 -0.372 1.00 0.00 C ATOM 838 CE2 PHE A 82 -3.219 5.890 -1.835 1.00 0.00 C ATOM 839 CZ PHE A 82 -1.938 6.080 -1.281 1.00 0.00 C ATOM 0 H PHE A 82 -4.830 8.272 2.238 1.00 0.00 H new ATOM 0 HA PHE A 82 -6.814 9.691 0.533 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -5.719 8.953 -1.410 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -4.604 9.889 -0.434 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -2.683 8.706 0.738 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -5.205 6.690 -2.086 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -0.770 7.293 0.066 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.406 5.031 -2.463 1.00 0.00 H new ATOM 0 HZ PHE A 82 -1.120 5.429 -1.552 1.00 0.00 H new ATOM 849 N THR A 83 -7.750 7.358 -0.328 1.00 0.00 N ATOM 850 CA THR A 83 -8.506 6.120 -0.491 1.00 0.00 C ATOM 851 C THR A 83 -8.096 5.522 -1.831 1.00 0.00 C ATOM 852 O THR A 83 -7.791 6.254 -2.782 1.00 0.00 O ATOM 853 CB THR A 83 -10.023 6.380 -0.375 1.00 0.00 C ATOM 854 OG1 THR A 83 -10.298 7.063 0.833 1.00 0.00 O ATOM 855 CG2 THR A 83 -10.881 5.111 -0.396 1.00 0.00 C ATOM 0 H THR A 83 -7.870 8.012 -1.102 1.00 0.00 H new ATOM 0 HA THR A 83 -8.282 5.406 0.302 1.00 0.00 H new ATOM 0 HB THR A 83 -10.285 6.970 -1.253 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.631 6.427 1.500 1.00 0.00 H new ATOM 0 HG21 THR A 83 -11.933 5.382 -0.310 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.719 4.578 -1.333 1.00 0.00 H new ATOM 0 HG23 THR A 83 -10.602 4.469 0.440 1.00 0.00 H new ATOM 863 N ILE A 84 -8.056 4.195 -1.895 1.00 0.00 N ATOM 864 CA ILE A 84 -7.699 3.404 -3.054 1.00 0.00 C ATOM 865 C ILE A 84 -8.780 2.348 -3.237 1.00 0.00 C ATOM 866 O ILE A 84 -9.237 1.762 -2.260 1.00 0.00 O ATOM 867 CB ILE A 84 -6.291 2.778 -2.931 1.00 0.00 C ATOM 868 CG1 ILE A 84 -5.736 2.706 -1.509 1.00 0.00 C ATOM 869 CG2 ILE A 84 -5.299 3.546 -3.809 1.00 0.00 C ATOM 870 CD1 ILE A 84 -4.468 1.847 -1.433 1.00 0.00 C ATOM 0 H ILE A 84 -8.287 3.615 -1.089 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.646 4.044 -3.935 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.411 1.747 -3.264 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.514 3.713 -1.154 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -6.494 2.293 -0.844 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.309 3.099 -3.717 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -5.622 3.500 -4.849 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.258 4.587 -3.487 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.106 1.822 -0.405 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.695 0.833 -1.762 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -3.700 2.274 -2.078 1.00 0.00 H new ATOM 882 N TYR A 85 -9.182 2.110 -4.477 1.00 0.00 N ATOM 883 CA TYR A 85 -10.212 1.166 -4.864 1.00 0.00 C ATOM 884 C TYR A 85 -9.674 0.279 -5.982 1.00 0.00 C ATOM 885 O TYR A 85 -8.571 0.495 -6.483 1.00 0.00 O ATOM 886 CB TYR A 85 -11.471 1.925 -5.302 1.00 0.00 C ATOM 887 CG TYR A 85 -11.314 2.633 -6.627 1.00 0.00 C ATOM 888 CD1 TYR A 85 -10.721 3.903 -6.674 1.00 0.00 C ATOM 889 CD2 TYR A 85 -11.694 1.992 -7.817 1.00 0.00 C ATOM 890 CE1 TYR A 85 -10.482 4.529 -7.905 1.00 0.00 C ATOM 891 CE2 TYR A 85 -11.455 2.610 -9.051 1.00 0.00 C ATOM 892 CZ TYR A 85 -10.859 3.891 -9.108 1.00 0.00 C ATOM 893 OH TYR A 85 -10.655 4.504 -10.305 1.00 0.00 O ATOM 0 H TYR A 85 -8.777 2.596 -5.277 1.00 0.00 H new ATOM 0 HA TYR A 85 -10.484 0.532 -4.020 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -12.304 1.225 -5.369 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -11.730 2.656 -4.536 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -10.447 4.402 -5.756 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -12.170 1.023 -7.781 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -10.009 5.500 -7.934 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -11.728 2.104 -9.966 1.00 0.00 H new ATOM 0 HH TYR A 85 -9.836 4.155 -10.716 1.00 0.00 H new ATOM 903 N ASP A 86 -10.452 -0.713 -6.379 1.00 0.00 N ATOM 904 CA ASP A 86 -10.218 -1.536 -7.571 1.00 0.00 C ATOM 905 C ASP A 86 -11.583 -2.120 -7.962 1.00 0.00 C ATOM 906 O ASP A 86 -12.616 -1.628 -7.496 1.00 0.00 O ATOM 907 CB ASP A 86 -9.115 -2.594 -7.308 1.00 0.00 C ATOM 908 CG ASP A 86 -8.381 -3.088 -8.561 1.00 0.00 C ATOM 909 OD1 ASP A 86 -9.013 -3.251 -9.627 1.00 0.00 O ATOM 910 OD2 ASP A 86 -7.155 -3.347 -8.474 1.00 0.00 O ATOM 0 H ASP A 86 -11.293 -0.983 -5.870 1.00 0.00 H new ATOM 0 HA ASP A 86 -9.829 -0.958 -8.409 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.383 -2.171 -6.619 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -9.566 -3.451 -6.808 1.00 0.00 H new ATOM 915 N ALA A 87 -11.629 -3.153 -8.801 1.00 0.00 N ATOM 916 CA ALA A 87 -12.832 -3.739 -9.389 1.00 0.00 C ATOM 917 C ALA A 87 -13.835 -4.323 -8.384 1.00 0.00 C ATOM 918 O ALA A 87 -14.879 -4.839 -8.791 1.00 0.00 O ATOM 919 CB ALA A 87 -12.411 -4.852 -10.352 1.00 0.00 C ATOM 0 H ALA A 87 -10.781 -3.630 -9.106 1.00 0.00 H new ATOM 0 HA ALA A 87 -13.349 -2.918 -9.886 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -13.298 -5.300 -10.800 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -11.780 -4.435 -11.137 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -11.855 -5.614 -9.806 1.00 0.00 H new ATOM 925 N GLU A 88 -13.509 -4.315 -7.095 1.00 0.00 N ATOM 926 CA GLU A 88 -14.204 -5.004 -6.037 1.00 0.00 C ATOM 927 C GLU A 88 -14.684 -3.918 -5.081 1.00 0.00 C ATOM 928 O GLU A 88 -15.821 -3.462 -5.194 1.00 0.00 O ATOM 929 CB GLU A 88 -13.240 -6.007 -5.383 1.00 0.00 C ATOM 930 CG GLU A 88 -12.350 -6.811 -6.335 1.00 0.00 C ATOM 931 CD GLU A 88 -13.024 -7.992 -7.026 1.00 0.00 C ATOM 932 OE1 GLU A 88 -14.255 -8.158 -6.910 1.00 0.00 O ATOM 933 OE2 GLU A 88 -12.318 -8.743 -7.742 1.00 0.00 O ATOM 0 H GLU A 88 -12.703 -3.793 -6.751 1.00 0.00 H new ATOM 0 HA GLU A 88 -15.061 -5.584 -6.380 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -12.597 -5.463 -4.691 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -13.826 -6.708 -4.789 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.965 -6.137 -7.100 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.492 -7.182 -5.775 1.00 0.00 H new ATOM 940 N GLY A 89 -13.788 -3.427 -4.225 1.00 0.00 N ATOM 941 CA GLY A 89 -14.097 -2.549 -3.111 1.00 0.00 C ATOM 942 C GLY A 89 -13.117 -1.385 -3.019 1.00 0.00 C ATOM 943 O GLY A 89 -12.463 -1.029 -4.005 1.00 0.00 O ATOM 0 H GLY A 89 -12.793 -3.641 -4.296 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -15.110 -2.163 -3.223 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -14.073 -3.118 -2.182 1.00 0.00 H new ATOM 947 N SER A 90 -13.026 -0.773 -1.834 1.00 0.00 N ATOM 948 CA SER A 90 -12.058 0.276 -1.563 1.00 0.00 C ATOM 949 C SER A 90 -11.574 0.261 -0.113 1.00 0.00 C ATOM 950 O SER A 90 -12.194 -0.377 0.746 1.00 0.00 O ATOM 951 CB SER A 90 -12.628 1.611 -2.020 1.00 0.00 C ATOM 952 OG SER A 90 -13.773 2.026 -1.296 1.00 0.00 O ATOM 0 H SER A 90 -13.626 -0.997 -1.040 1.00 0.00 H new ATOM 0 HA SER A 90 -11.152 0.094 -2.141 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.856 2.375 -1.928 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.884 1.542 -3.077 1.00 0.00 H new ATOM 0 HG SER A 90 -14.421 2.429 -1.911 1.00 0.00 H new ATOM 958 N VAL A 91 -10.439 0.922 0.142 1.00 0.00 N ATOM 959 CA VAL A 91 -9.769 0.997 1.433 1.00 0.00 C ATOM 960 C VAL A 91 -9.176 2.385 1.610 1.00 0.00 C ATOM 961 O VAL A 91 -8.675 2.976 0.645 1.00 0.00 O ATOM 962 CB VAL A 91 -8.674 -0.093 1.550 1.00 0.00 C ATOM 963 CG1 VAL A 91 -9.231 -1.485 1.259 1.00 0.00 C ATOM 964 CG2 VAL A 91 -7.455 0.122 0.645 1.00 0.00 C ATOM 0 H VAL A 91 -9.945 1.441 -0.584 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.496 0.816 2.225 1.00 0.00 H new ATOM 0 HB VAL A 91 -8.340 -0.011 2.584 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -8.434 -2.222 1.351 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.023 -1.716 1.971 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.634 -1.511 0.247 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.743 -0.689 0.795 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -7.774 0.137 -0.397 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.981 1.072 0.893 1.00 0.00 H new ATOM 974 N ASP A 92 -9.178 2.879 2.846 1.00 0.00 N ATOM 975 CA ASP A 92 -8.461 4.110 3.174 1.00 0.00 C ATOM 976 C ASP A 92 -6.987 3.780 3.388 1.00 0.00 C ATOM 977 O ASP A 92 -6.628 2.636 3.692 1.00 0.00 O ATOM 978 CB ASP A 92 -9.052 4.848 4.396 1.00 0.00 C ATOM 979 CG ASP A 92 -9.978 5.986 3.935 1.00 0.00 C ATOM 980 OD1 ASP A 92 -10.898 5.735 3.117 1.00 0.00 O ATOM 981 OD2 ASP A 92 -9.758 7.171 4.292 1.00 0.00 O ATOM 0 H ASP A 92 -9.665 2.449 3.633 1.00 0.00 H new ATOM 0 HA ASP A 92 -8.571 4.798 2.336 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -9.608 4.147 5.019 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.247 5.251 5.010 1.00 0.00 H new ATOM 986 N VAL A 93 -6.117 4.783 3.285 1.00 0.00 N ATOM 987 CA VAL A 93 -4.733 4.705 3.691 1.00 0.00 C ATOM 988 C VAL A 93 -4.358 5.988 4.454 1.00 0.00 C ATOM 989 O VAL A 93 -4.649 7.091 3.988 1.00 0.00 O ATOM 990 CB VAL A 93 -3.839 4.422 2.466 1.00 0.00 C ATOM 991 CG1 VAL A 93 -4.326 3.284 1.538 1.00 0.00 C ATOM 992 CG2 VAL A 93 -3.585 5.629 1.633 1.00 0.00 C ATOM 0 H VAL A 93 -6.372 5.694 2.905 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.573 3.872 4.376 1.00 0.00 H new ATOM 0 HB VAL A 93 -2.912 4.091 2.934 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.628 3.167 0.709 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -4.380 2.353 2.102 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -5.314 3.530 1.148 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.950 5.361 0.788 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.532 6.023 1.264 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.086 6.388 2.235 1.00 0.00 H new ATOM 1002 N SER A 94 -3.605 5.862 5.539 1.00 0.00 N ATOM 1003 CA SER A 94 -2.928 6.931 6.270 1.00 0.00 C ATOM 1004 C SER A 94 -1.442 6.752 5.962 1.00 0.00 C ATOM 1005 O SER A 94 -0.845 5.782 6.417 1.00 0.00 O ATOM 1006 CB SER A 94 -3.180 6.842 7.785 1.00 0.00 C ATOM 1007 OG SER A 94 -4.255 7.657 8.231 1.00 0.00 O ATOM 0 H SER A 94 -3.438 4.949 5.962 1.00 0.00 H new ATOM 0 HA SER A 94 -3.301 7.909 5.965 1.00 0.00 H new ATOM 0 HB2 SER A 94 -3.387 5.805 8.050 1.00 0.00 H new ATOM 0 HB3 SER A 94 -2.272 7.131 8.314 1.00 0.00 H new ATOM 0 HG SER A 94 -4.364 7.554 9.199 1.00 0.00 H new ATOM 1013 N TYR A 95 -0.867 7.624 5.136 1.00 0.00 N ATOM 1014 CA TYR A 95 0.561 7.712 4.873 1.00 0.00 C ATOM 1015 C TYR A 95 1.090 8.925 5.623 1.00 0.00 C ATOM 1016 O TYR A 95 0.338 9.808 6.023 1.00 0.00 O ATOM 1017 CB TYR A 95 0.842 7.832 3.357 1.00 0.00 C ATOM 1018 CG TYR A 95 2.322 7.905 2.987 1.00 0.00 C ATOM 1019 CD1 TYR A 95 3.281 7.045 3.553 1.00 0.00 C ATOM 1020 CD2 TYR A 95 2.753 8.873 2.073 1.00 0.00 C ATOM 1021 CE1 TYR A 95 4.646 7.193 3.253 1.00 0.00 C ATOM 1022 CE2 TYR A 95 4.112 9.025 1.760 1.00 0.00 C ATOM 1023 CZ TYR A 95 5.078 8.202 2.369 1.00 0.00 C ATOM 1024 OH TYR A 95 6.401 8.420 2.131 1.00 0.00 O ATOM 0 H TYR A 95 -1.407 8.313 4.613 1.00 0.00 H new ATOM 0 HA TYR A 95 1.064 6.807 5.214 1.00 0.00 H new ATOM 0 HB2 TYR A 95 0.396 6.976 2.850 1.00 0.00 H new ATOM 0 HB3 TYR A 95 0.342 8.723 2.978 1.00 0.00 H new ATOM 0 HD1 TYR A 95 2.964 6.262 4.226 1.00 0.00 H new ATOM 0 HD2 TYR A 95 2.025 9.515 1.599 1.00 0.00 H new ATOM 0 HE1 TYR A 95 5.369 6.529 3.703 1.00 0.00 H new ATOM 0 HE2 TYR A 95 4.419 9.777 1.048 1.00 0.00 H new ATOM 0 HH TYR A 95 6.741 7.733 1.520 1.00 0.00 H new ATOM 1034 N GLU A 96 2.399 9.032 5.757 1.00 0.00 N ATOM 1035 CA GLU A 96 3.062 10.208 6.263 1.00 0.00 C ATOM 1036 C GLU A 96 4.471 10.139 5.727 1.00 0.00 C ATOM 1037 O GLU A 96 5.203 9.207 6.062 1.00 0.00 O ATOM 1038 CB GLU A 96 3.042 10.238 7.798 1.00 0.00 C ATOM 1039 CG GLU A 96 3.866 11.425 8.329 1.00 0.00 C ATOM 1040 CD GLU A 96 3.956 11.481 9.853 1.00 0.00 C ATOM 1041 OE1 GLU A 96 3.563 10.515 10.546 1.00 0.00 O ATOM 1042 OE2 GLU A 96 4.411 12.528 10.369 1.00 0.00 O ATOM 0 H GLU A 96 3.043 8.281 5.509 1.00 0.00 H new ATOM 0 HA GLU A 96 2.562 11.122 5.944 1.00 0.00 H new ATOM 0 HB2 GLU A 96 2.014 10.315 8.152 1.00 0.00 H new ATOM 0 HB3 GLU A 96 3.445 9.304 8.190 1.00 0.00 H new ATOM 0 HG2 GLU A 96 4.873 11.369 7.917 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.424 12.353 7.966 1.00 0.00 H new ATOM 1049 N GLY A 97 4.859 11.116 4.907 1.00 0.00 N ATOM 1050 CA GLY A 97 6.307 11.195 4.667 1.00 0.00 C ATOM 1051 C GLY A 97 6.797 12.049 3.516 1.00 0.00 C ATOM 1052 O GLY A 97 7.117 13.220 3.698 1.00 0.00 O ATOM 0 H GLY A 97 4.266 11.801 4.438 1.00 0.00 H new ATOM 0 HA2 GLY A 97 6.776 11.565 5.579 1.00 0.00 H new ATOM 0 HA3 GLY A 97 6.674 10.181 4.509 1.00 0.00 H new ATOM 1056 N ILE A 98 6.975 11.435 2.352 1.00 0.00 N ATOM 1057 CA ILE A 98 7.511 12.059 1.168 1.00 0.00 C ATOM 1058 C ILE A 98 6.835 11.408 -0.031 1.00 0.00 C ATOM 1059 O ILE A 98 7.392 10.610 -0.782 1.00 0.00 O ATOM 1060 CB ILE A 98 9.042 11.967 1.229 1.00 0.00 C ATOM 1061 CG1 ILE A 98 9.714 12.801 0.125 1.00 0.00 C ATOM 1062 CG2 ILE A 98 9.574 10.523 1.229 1.00 0.00 C ATOM 1063 CD1 ILE A 98 9.399 14.300 0.183 1.00 0.00 C ATOM 0 H ILE A 98 6.738 10.453 2.211 1.00 0.00 H new ATOM 0 HA ILE A 98 7.301 13.125 1.083 1.00 0.00 H new ATOM 0 HB ILE A 98 9.316 12.395 2.193 1.00 0.00 H new ATOM 0 HG12 ILE A 98 10.794 12.666 0.191 1.00 0.00 H new ATOM 0 HG13 ILE A 98 9.403 12.414 -0.846 1.00 0.00 H new ATOM 0 HG21 ILE A 98 10.663 10.536 1.274 1.00 0.00 H new ATOM 0 HG22 ILE A 98 9.182 9.991 2.096 1.00 0.00 H new ATOM 0 HG23 ILE A 98 9.254 10.018 0.318 1.00 0.00 H new ATOM 0 HD11 ILE A 98 9.913 14.812 -0.631 1.00 0.00 H new ATOM 0 HD12 ILE A 98 8.324 14.450 0.084 1.00 0.00 H new ATOM 0 HD13 ILE A 98 9.736 14.706 1.137 1.00 0.00 H new ATOM 1075 N LEU A 99 5.553 11.717 -0.141 1.00 0.00 N ATOM 1076 CA LEU A 99 4.676 11.236 -1.199 1.00 0.00 C ATOM 1077 C LEU A 99 5.344 11.469 -2.558 1.00 0.00 C ATOM 1078 O LEU A 99 5.922 12.544 -2.745 1.00 0.00 O ATOM 1079 CB LEU A 99 3.327 11.957 -1.069 1.00 0.00 C ATOM 1080 CG LEU A 99 2.188 11.345 -1.891 1.00 0.00 C ATOM 1081 CD1 LEU A 99 1.824 9.931 -1.426 1.00 0.00 C ATOM 1082 CD2 LEU A 99 0.941 12.203 -1.679 1.00 0.00 C ATOM 0 H LEU A 99 5.078 12.328 0.524 1.00 0.00 H new ATOM 0 HA LEU A 99 4.496 10.164 -1.114 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.035 11.964 -0.019 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.456 12.996 -1.371 1.00 0.00 H new ATOM 0 HG LEU A 99 2.517 11.305 -2.929 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.012 9.543 -2.041 1.00 0.00 H new ATOM 0 HD12 LEU A 99 2.694 9.281 -1.522 1.00 0.00 H new ATOM 0 HD13 LEU A 99 1.507 9.961 -0.384 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.113 11.789 -2.254 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.680 12.210 -0.621 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.140 13.222 -2.011 1.00 0.00 H new ATOM 1094 N PRO A 100 5.337 10.497 -3.489 1.00 0.00 N ATOM 1095 CA PRO A 100 5.997 10.688 -4.770 1.00 0.00 C ATOM 1096 C PRO A 100 5.299 11.826 -5.498 1.00 0.00 C ATOM 1097 O PRO A 100 4.071 11.838 -5.561 1.00 0.00 O ATOM 1098 CB PRO A 100 5.845 9.373 -5.551 1.00 0.00 C ATOM 1099 CG PRO A 100 5.304 8.375 -4.534 1.00 0.00 C ATOM 1100 CD PRO A 100 4.630 9.227 -3.468 1.00 0.00 C ATOM 0 HA PRO A 100 7.052 10.937 -4.660 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.162 9.490 -6.392 1.00 0.00 H new ATOM 0 HB3 PRO A 100 6.800 9.043 -5.959 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.596 7.686 -4.995 1.00 0.00 H new ATOM 0 HG3 PRO A 100 6.105 7.771 -4.108 1.00 0.00 H new ATOM 0 HD2 PRO A 100 3.570 9.363 -3.685 1.00 0.00 H new ATOM 0 HD3 PRO A 100 4.697 8.756 -2.487 1.00 0.00 H new ATOM 1108 N ASP A 101 6.047 12.712 -6.157 1.00 0.00 N ATOM 1109 CA ASP A 101 5.416 13.702 -7.036 1.00 0.00 C ATOM 1110 C ASP A 101 4.720 13.006 -8.217 1.00 0.00 C ATOM 1111 O ASP A 101 3.930 13.613 -8.937 1.00 0.00 O ATOM 1112 CB ASP A 101 6.431 14.729 -7.556 1.00 0.00 C ATOM 1113 CG ASP A 101 7.025 15.621 -6.462 1.00 0.00 C ATOM 1114 OD1 ASP A 101 6.309 16.506 -5.944 1.00 0.00 O ATOM 1115 OD2 ASP A 101 8.240 15.473 -6.167 1.00 0.00 O ATOM 0 H ASP A 101 7.064 12.767 -6.103 1.00 0.00 H new ATOM 0 HA ASP A 101 4.672 14.236 -6.445 1.00 0.00 H new ATOM 0 HB2 ASP A 101 7.240 14.202 -8.061 1.00 0.00 H new ATOM 0 HB3 ASP A 101 5.946 15.359 -8.302 1.00 0.00 H new ATOM 1120 N LEU A 102 5.025 11.727 -8.453 1.00 0.00 N ATOM 1121 CA LEU A 102 4.416 10.883 -9.472 1.00 0.00 C ATOM 1122 C LEU A 102 3.035 10.374 -9.043 1.00 0.00 C ATOM 1123 O LEU A 102 2.232 10.040 -9.917 1.00 0.00 O ATOM 1124 CB LEU A 102 5.338 9.685 -9.765 1.00 0.00 C ATOM 1125 CG LEU A 102 6.443 9.986 -10.797 1.00 0.00 C ATOM 1126 CD1 LEU A 102 7.508 10.965 -10.284 1.00 0.00 C ATOM 1127 CD2 LEU A 102 7.114 8.668 -11.174 1.00 0.00 C ATOM 0 H LEU A 102 5.736 11.234 -7.912 1.00 0.00 H new ATOM 0 HA LEU A 102 4.284 11.487 -10.370 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.803 9.360 -8.834 1.00 0.00 H new ATOM 0 HB3 LEU A 102 4.733 8.853 -10.127 1.00 0.00 H new ATOM 0 HG LEU A 102 5.970 10.463 -11.655 1.00 0.00 H new ATOM 0 HD11 LEU A 102 8.254 11.131 -11.061 1.00 0.00 H new ATOM 0 HD12 LEU A 102 7.036 11.913 -10.025 1.00 0.00 H new ATOM 0 HD13 LEU A 102 7.991 10.547 -9.401 1.00 0.00 H new ATOM 0 HD21 LEU A 102 7.901 8.856 -11.905 1.00 0.00 H new ATOM 0 HD22 LEU A 102 7.547 8.212 -10.283 1.00 0.00 H new ATOM 0 HD23 LEU A 102 6.374 7.993 -11.604 1.00 0.00 H new ATOM 1139 N PHE A 103 2.742 10.303 -7.736 1.00 0.00 N ATOM 1140 CA PHE A 103 1.421 9.951 -7.233 1.00 0.00 C ATOM 1141 C PHE A 103 0.432 10.980 -7.799 1.00 0.00 C ATOM 1142 O PHE A 103 0.593 12.186 -7.605 1.00 0.00 O ATOM 1143 CB PHE A 103 1.456 9.901 -5.688 1.00 0.00 C ATOM 1144 CG PHE A 103 0.126 9.701 -4.981 1.00 0.00 C ATOM 1145 CD1 PHE A 103 -0.738 10.810 -4.892 1.00 0.00 C ATOM 1146 CD2 PHE A 103 -0.282 8.450 -4.449 1.00 0.00 C ATOM 1147 CE1 PHE A 103 -2.015 10.680 -4.331 1.00 0.00 C ATOM 1148 CE2 PHE A 103 -1.553 8.347 -3.862 1.00 0.00 C ATOM 1149 CZ PHE A 103 -2.422 9.445 -3.806 1.00 0.00 C ATOM 0 H PHE A 103 3.424 10.491 -7.001 1.00 0.00 H new ATOM 0 HA PHE A 103 1.100 8.960 -7.554 1.00 0.00 H new ATOM 0 HB2 PHE A 103 2.125 9.094 -5.389 1.00 0.00 H new ATOM 0 HB3 PHE A 103 1.897 10.831 -5.327 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -0.412 11.771 -5.260 1.00 0.00 H new ATOM 0 HD2 PHE A 103 0.373 7.593 -4.495 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -2.684 11.528 -4.303 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -1.868 7.402 -3.445 1.00 0.00 H new ATOM 0 HZ PHE A 103 -3.400 9.341 -3.361 1.00 0.00 H new ATOM 1159 N ARG A 104 -0.595 10.527 -8.518 1.00 0.00 N ATOM 1160 CA ARG A 104 -1.722 11.333 -8.979 1.00 0.00 C ATOM 1161 C ARG A 104 -2.976 10.724 -8.396 1.00 0.00 C ATOM 1162 O ARG A 104 -3.029 9.515 -8.174 1.00 0.00 O ATOM 1163 CB ARG A 104 -1.829 11.259 -10.509 1.00 0.00 C ATOM 1164 CG ARG A 104 -0.649 11.920 -11.216 1.00 0.00 C ATOM 1165 CD ARG A 104 -0.767 13.445 -11.310 1.00 0.00 C ATOM 1166 NE ARG A 104 0.351 14.061 -12.048 1.00 0.00 N ATOM 1167 CZ ARG A 104 0.513 14.103 -13.380 1.00 0.00 C ATOM 1168 NH1 ARG A 104 -0.382 13.600 -14.226 1.00 0.00 N ATOM 1169 NH2 ARG A 104 1.612 14.651 -13.871 1.00 0.00 N ATOM 0 H ARG A 104 -0.666 9.551 -8.806 1.00 0.00 H new ATOM 0 HA ARG A 104 -1.590 12.371 -8.674 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -1.891 10.215 -10.814 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -2.754 11.740 -10.828 1.00 0.00 H new ATOM 0 HG2 ARG A 104 0.269 11.667 -10.686 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -0.561 11.508 -12.221 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -1.706 13.702 -11.801 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -0.807 13.864 -10.305 1.00 0.00 H new ATOM 0 HE ARG A 104 1.079 14.502 -11.486 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -1.231 13.161 -13.869 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -0.219 13.653 -15.232 1.00 0.00 H new ATOM 0 HH21 ARG A 104 2.318 15.032 -13.240 1.00 0.00 H new ATOM 0 HH22 ARG A 104 1.754 14.693 -14.880 1.00 0.00 H new ATOM 1183 N GLU A 105 -4.010 11.522 -8.210 1.00 0.00 N ATOM 1184 CA GLU A 105 -5.306 10.985 -7.790 1.00 0.00 C ATOM 1185 C GLU A 105 -5.953 10.333 -8.990 1.00 0.00 C ATOM 1186 O GLU A 105 -6.213 11.015 -9.980 1.00 0.00 O ATOM 1187 CB GLU A 105 -6.279 12.014 -7.200 1.00 0.00 C ATOM 1188 CG GLU A 105 -5.655 13.341 -6.790 1.00 0.00 C ATOM 1189 CD GLU A 105 -5.324 14.260 -7.980 1.00 0.00 C ATOM 1190 OE1 GLU A 105 -6.244 14.725 -8.700 1.00 0.00 O ATOM 1191 OE2 GLU A 105 -4.110 14.482 -8.190 1.00 0.00 O ATOM 0 H GLU A 105 -3.987 12.534 -8.339 1.00 0.00 H new ATOM 0 HA GLU A 105 -5.100 10.282 -6.983 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -7.062 12.211 -7.933 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -6.762 11.574 -6.328 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -6.337 13.862 -6.118 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -4.742 13.145 -6.228 1.00 0.00 H new ATOM 1198 N GLY A 106 -6.186 9.033 -8.919 1.00 0.00 N ATOM 1199 CA GLY A 106 -6.739 8.249 -10.023 1.00 0.00 C ATOM 1200 C GLY A 106 -5.884 7.071 -10.500 1.00 0.00 C ATOM 1201 O GLY A 106 -6.238 6.526 -11.549 1.00 0.00 O ATOM 0 H GLY A 106 -5.995 8.480 -8.083 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -7.713 7.866 -9.719 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -6.908 8.916 -10.868 1.00 0.00 H new ATOM 1205 N GLN A 107 -4.788 6.671 -9.826 1.00 0.00 N ATOM 1206 CA GLN A 107 -3.805 5.764 -10.462 1.00 0.00 C ATOM 1207 C GLN A 107 -3.397 4.616 -9.543 1.00 0.00 C ATOM 1208 O GLN A 107 -3.701 4.650 -8.354 1.00 0.00 O ATOM 1209 CB GLN A 107 -2.574 6.541 -10.967 1.00 0.00 C ATOM 1210 CG GLN A 107 -1.717 7.129 -9.849 1.00 0.00 C ATOM 1211 CD GLN A 107 -0.337 6.477 -9.767 1.00 0.00 C ATOM 1212 OE1 GLN A 107 0.614 7.064 -10.468 1.00 0.00 O flip ATOM 1213 NE2 GLN A 107 -0.141 5.456 -9.116 1.00 0.00 N flip ATOM 0 H GLN A 107 -4.562 6.949 -8.871 1.00 0.00 H new ATOM 0 HA GLN A 107 -4.299 5.317 -11.325 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -1.959 5.875 -11.572 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -2.908 7.348 -11.619 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -1.600 8.201 -10.010 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -2.232 7.004 -8.896 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -0.904 5.034 -8.587 1.00 0.00 H new ATOM 0 HE22 GLN A 107 0.785 5.029 -9.103 1.00 0.00 H new ATOM 1222 N GLY A 108 -2.719 3.611 -10.101 1.00 0.00 N ATOM 1223 CA GLY A 108 -2.458 2.316 -9.480 1.00 0.00 C ATOM 1224 C GLY A 108 -1.258 2.354 -8.545 1.00 0.00 C ATOM 1225 O GLY A 108 -0.175 1.896 -8.917 1.00 0.00 O ATOM 0 H GLY A 108 -2.321 3.683 -11.037 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -3.340 1.999 -8.923 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -2.287 1.571 -10.257 1.00 0.00 H new ATOM 1229 N VAL A 109 -1.452 2.814 -7.315 1.00 0.00 N ATOM 1230 CA VAL A 109 -0.385 2.969 -6.327 1.00 0.00 C ATOM 1231 C VAL A 109 -0.055 1.609 -5.696 1.00 0.00 C ATOM 1232 O VAL A 109 -0.827 0.651 -5.807 1.00 0.00 O ATOM 1233 CB VAL A 109 -0.753 4.023 -5.259 1.00 0.00 C ATOM 1234 CG1 VAL A 109 -1.743 5.077 -5.766 1.00 0.00 C ATOM 1235 CG2 VAL A 109 -1.332 3.430 -3.968 1.00 0.00 C ATOM 0 H VAL A 109 -2.369 3.095 -6.968 1.00 0.00 H new ATOM 0 HA VAL A 109 0.508 3.336 -6.833 1.00 0.00 H new ATOM 0 HB VAL A 109 0.207 4.489 -5.038 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.959 5.787 -4.968 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -1.308 5.606 -6.614 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -2.666 4.589 -6.078 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.564 4.235 -3.270 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -2.242 2.876 -4.198 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -0.602 2.758 -3.517 1.00 0.00 H new ATOM 1245 N VAL A 110 1.043 1.542 -4.947 1.00 0.00 N ATOM 1246 CA VAL A 110 1.439 0.401 -4.127 1.00 0.00 C ATOM 1247 C VAL A 110 1.723 0.976 -2.733 1.00 0.00 C ATOM 1248 O VAL A 110 2.562 1.863 -2.566 1.00 0.00 O ATOM 1249 CB VAL A 110 2.603 -0.330 -4.846 1.00 0.00 C ATOM 1250 CG1 VAL A 110 3.747 -0.832 -3.969 1.00 0.00 C ATOM 1251 CG2 VAL A 110 2.034 -1.515 -5.639 1.00 0.00 C ATOM 0 H VAL A 110 1.708 2.313 -4.893 1.00 0.00 H new ATOM 0 HA VAL A 110 0.686 -0.376 -3.995 1.00 0.00 H new ATOM 0 HB VAL A 110 3.054 0.434 -5.479 1.00 0.00 H new ATOM 0 HG11 VAL A 110 4.494 -1.323 -4.592 1.00 0.00 H new ATOM 0 HG12 VAL A 110 4.204 0.010 -3.450 1.00 0.00 H new ATOM 0 HG13 VAL A 110 3.360 -1.542 -3.238 1.00 0.00 H new ATOM 0 HG21 VAL A 110 2.845 -2.035 -6.148 1.00 0.00 H new ATOM 0 HG22 VAL A 110 1.534 -2.202 -4.957 1.00 0.00 H new ATOM 0 HG23 VAL A 110 1.318 -1.150 -6.376 1.00 0.00 H new ATOM 1261 N VAL A 111 0.926 0.572 -1.746 1.00 0.00 N ATOM 1262 CA VAL A 111 1.078 0.850 -0.326 1.00 0.00 C ATOM 1263 C VAL A 111 1.580 -0.421 0.369 1.00 0.00 C ATOM 1264 O VAL A 111 1.342 -1.548 -0.073 1.00 0.00 O ATOM 1265 CB VAL A 111 -0.301 1.319 0.189 1.00 0.00 C ATOM 1266 CG1 VAL A 111 -0.646 0.987 1.643 1.00 0.00 C ATOM 1267 CG2 VAL A 111 -0.477 2.819 -0.019 1.00 0.00 C ATOM 0 H VAL A 111 0.101 0.003 -1.934 1.00 0.00 H new ATOM 0 HA VAL A 111 1.809 1.632 -0.119 1.00 0.00 H new ATOM 0 HB VAL A 111 -0.996 0.736 -0.415 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -1.639 1.371 1.878 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.632 -0.094 1.782 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.087 1.448 2.305 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -1.455 3.125 0.351 1.00 0.00 H new ATOM 0 HG22 VAL A 111 0.301 3.355 0.524 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -0.403 3.050 -1.082 1.00 0.00 H new ATOM 1277 N GLN A 112 2.212 -0.227 1.516 1.00 0.00 N ATOM 1278 CA GLN A 112 2.775 -1.233 2.398 1.00 0.00 C ATOM 1279 C GLN A 112 2.794 -0.618 3.780 1.00 0.00 C ATOM 1280 O GLN A 112 3.140 0.554 3.895 1.00 0.00 O ATOM 1281 CB GLN A 112 4.204 -1.566 1.923 1.00 0.00 C ATOM 1282 CG GLN A 112 5.017 -2.442 2.870 1.00 0.00 C ATOM 1283 CD GLN A 112 5.715 -3.615 2.186 1.00 0.00 C ATOM 1284 OE1 GLN A 112 6.174 -3.572 1.048 1.00 0.00 O ATOM 1285 NE2 GLN A 112 5.698 -4.735 2.871 1.00 0.00 N ATOM 0 H GLN A 112 2.355 0.714 1.882 1.00 0.00 H new ATOM 0 HA GLN A 112 2.198 -2.158 2.400 1.00 0.00 H new ATOM 0 HB2 GLN A 112 4.141 -2.066 0.956 1.00 0.00 H new ATOM 0 HB3 GLN A 112 4.744 -0.632 1.765 1.00 0.00 H new ATOM 0 HG2 GLN A 112 5.767 -1.825 3.365 1.00 0.00 H new ATOM 0 HG3 GLN A 112 4.358 -2.828 3.647 1.00 0.00 H new ATOM 0 HE21 GLN A 112 5.312 -4.750 3.815 1.00 0.00 H new ATOM 0 HE22 GLN A 112 6.071 -5.590 2.459 1.00 0.00 H new ATOM 1294 N GLY A 113 2.448 -1.395 4.798 1.00 0.00 N ATOM 1295 CA GLY A 113 2.613 -1.060 6.193 1.00 0.00 C ATOM 1296 C GLY A 113 1.735 -2.028 6.960 1.00 0.00 C ATOM 1297 O GLY A 113 2.034 -3.223 6.919 1.00 0.00 O ATOM 0 H GLY A 113 2.027 -2.314 4.660 1.00 0.00 H new ATOM 0 HA2 GLY A 113 3.656 -1.154 6.496 1.00 0.00 H new ATOM 0 HA3 GLY A 113 2.317 -0.029 6.385 1.00 0.00 H new ATOM 1301 N GLU A 114 0.665 -1.569 7.608 1.00 0.00 N ATOM 1302 CA GLU A 114 -0.102 -2.330 8.581 1.00 0.00 C ATOM 1303 C GLU A 114 -1.593 -2.034 8.401 1.00 0.00 C ATOM 1304 O GLU A 114 -1.957 -1.024 7.816 1.00 0.00 O ATOM 1305 CB GLU A 114 0.425 -1.993 9.992 1.00 0.00 C ATOM 1306 CG GLU A 114 1.647 -2.865 10.363 1.00 0.00 C ATOM 1307 CD GLU A 114 2.382 -2.503 11.662 1.00 0.00 C ATOM 1308 OE1 GLU A 114 1.734 -2.125 12.670 1.00 0.00 O ATOM 1309 OE2 GLU A 114 3.627 -2.692 11.708 1.00 0.00 O ATOM 0 H GLU A 114 0.301 -0.628 7.462 1.00 0.00 H new ATOM 0 HA GLU A 114 0.019 -3.403 8.435 1.00 0.00 H new ATOM 0 HB2 GLU A 114 0.701 -0.940 10.036 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -0.368 -2.146 10.724 1.00 0.00 H new ATOM 0 HG2 GLU A 114 1.316 -3.901 10.436 1.00 0.00 H new ATOM 0 HG3 GLU A 114 2.362 -2.816 9.542 1.00 0.00 H new ATOM 1316 N LEU A 115 -2.472 -2.924 8.852 1.00 0.00 N ATOM 1317 CA LEU A 115 -3.931 -2.787 8.759 1.00 0.00 C ATOM 1318 C LEU A 115 -4.452 -2.104 10.028 1.00 0.00 C ATOM 1319 O LEU A 115 -3.785 -2.193 11.061 1.00 0.00 O ATOM 1320 CB LEU A 115 -4.535 -4.182 8.567 1.00 0.00 C ATOM 1321 CG LEU A 115 -5.488 -4.314 7.359 1.00 0.00 C ATOM 1322 CD1 LEU A 115 -5.964 -5.748 7.114 1.00 0.00 C ATOM 1323 CD2 LEU A 115 -6.732 -3.445 7.461 1.00 0.00 C ATOM 0 H LEU A 115 -2.184 -3.790 9.308 1.00 0.00 H new ATOM 0 HA LEU A 115 -4.219 -2.168 7.909 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -3.724 -4.901 8.452 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -5.078 -4.455 9.472 1.00 0.00 H new ATOM 0 HG LEU A 115 -4.870 -3.976 6.527 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.630 -5.768 6.251 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -5.104 -6.389 6.923 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -6.498 -6.109 7.993 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -7.352 -3.592 6.577 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -7.297 -3.722 8.351 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -6.439 -2.397 7.529 1.00 0.00 H new ATOM 1335 N GLU A 116 -5.605 -1.428 9.969 1.00 0.00 N ATOM 1336 CA GLU A 116 -6.117 -0.593 11.054 1.00 0.00 C ATOM 1337 C GLU A 116 -7.475 -1.112 11.542 1.00 0.00 C ATOM 1338 O GLU A 116 -7.526 -1.803 12.553 1.00 0.00 O ATOM 1339 CB GLU A 116 -6.115 0.872 10.567 1.00 0.00 C ATOM 1340 CG GLU A 116 -6.001 1.907 11.698 1.00 0.00 C ATOM 1341 CD GLU A 116 -7.247 2.731 12.027 1.00 0.00 C ATOM 1342 OE1 GLU A 116 -8.309 2.601 11.379 1.00 0.00 O ATOM 1343 OE2 GLU A 116 -7.093 3.616 12.898 1.00 0.00 O ATOM 0 H GLU A 116 -6.216 -1.448 9.152 1.00 0.00 H new ATOM 0 HA GLU A 116 -5.479 -0.640 11.937 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -5.285 1.013 9.875 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -7.032 1.059 10.008 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -5.695 1.384 12.604 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -5.198 2.598 11.442 1.00 0.00 H new ATOM 1350 N LYS A 117 -8.562 -0.819 10.826 1.00 0.00 N ATOM 1351 CA LYS A 117 -9.959 -1.200 11.011 1.00 0.00 C ATOM 1352 C LYS A 117 -10.729 -0.591 9.840 1.00 0.00 C ATOM 1353 O LYS A 117 -10.164 0.220 9.109 1.00 0.00 O ATOM 1354 CB LYS A 117 -10.503 -0.687 12.365 1.00 0.00 C ATOM 1355 CG LYS A 117 -10.757 -1.875 13.301 1.00 0.00 C ATOM 1356 CD LYS A 117 -11.969 -2.707 12.853 1.00 0.00 C ATOM 1357 CE LYS A 117 -11.664 -4.190 13.014 1.00 0.00 C ATOM 1358 NZ LYS A 117 -11.590 -4.609 14.429 1.00 0.00 N ATOM 0 H LYS A 117 -8.467 -0.233 9.996 1.00 0.00 H new ATOM 0 HA LYS A 117 -10.070 -2.284 11.030 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -9.789 -0.000 12.819 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -11.427 -0.130 12.210 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -9.871 -2.510 13.331 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -10.922 -1.510 14.315 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -12.844 -2.440 13.445 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -12.209 -2.486 11.813 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -12.434 -4.772 12.507 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -10.718 -4.417 12.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -11.380 -5.626 14.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -10.837 -4.076 14.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -12.500 -4.420 14.895 1.00 0.00 H new ATOM 1372 N GLY A 118 -11.993 -0.956 9.626 1.00 0.00 N ATOM 1373 CA GLY A 118 -12.820 -0.344 8.590 1.00 0.00 C ATOM 1374 C GLY A 118 -12.250 -0.496 7.179 1.00 0.00 C ATOM 1375 O GLY A 118 -12.612 0.273 6.289 1.00 0.00 O ATOM 0 H GLY A 118 -12.469 -1.680 10.164 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -13.814 -0.790 8.621 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -12.939 0.716 8.812 1.00 0.00 H new ATOM 1379 N ASN A 119 -11.363 -1.470 6.949 1.00 0.00 N ATOM 1380 CA ASN A 119 -10.492 -1.555 5.778 1.00 0.00 C ATOM 1381 C ASN A 119 -9.652 -0.278 5.581 1.00 0.00 C ATOM 1382 O ASN A 119 -9.792 0.412 4.574 1.00 0.00 O ATOM 1383 CB ASN A 119 -11.260 -1.920 4.492 1.00 0.00 C ATOM 1384 CG ASN A 119 -12.101 -3.172 4.582 1.00 0.00 C ATOM 1385 OD1 ASN A 119 -11.454 -4.310 4.715 1.00 0.00 O flip ATOM 1386 ND2 ASN A 119 -13.328 -3.133 4.530 1.00 0.00 N flip ATOM 0 H ASN A 119 -11.229 -2.246 7.597 1.00 0.00 H new ATOM 0 HA ASN A 119 -9.801 -2.373 5.981 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -11.907 -1.085 4.224 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -10.542 -2.040 3.680 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -13.806 -2.238 4.427 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -13.869 -3.996 4.590 1.00 0.00 H new ATOM 1393 N HIS A 120 -8.702 -0.007 6.480 1.00 0.00 N ATOM 1394 CA HIS A 120 -7.793 1.139 6.408 1.00 0.00 C ATOM 1395 C HIS A 120 -6.359 0.657 6.624 1.00 0.00 C ATOM 1396 O HIS A 120 -6.114 -0.127 7.533 1.00 0.00 O ATOM 1397 CB HIS A 120 -8.219 2.172 7.457 1.00 0.00 C ATOM 1398 CG HIS A 120 -7.260 3.296 7.752 1.00 0.00 C ATOM 1399 ND1 HIS A 120 -7.202 3.992 8.940 1.00 0.00 N ATOM 1400 CD2 HIS A 120 -6.277 3.787 6.940 1.00 0.00 C ATOM 1401 CE1 HIS A 120 -6.220 4.904 8.823 1.00 0.00 C ATOM 1402 NE2 HIS A 120 -5.632 4.807 7.625 1.00 0.00 N ATOM 0 H HIS A 120 -8.540 -0.594 7.299 1.00 0.00 H new ATOM 0 HA HIS A 120 -7.838 1.614 5.428 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -9.163 2.611 7.134 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -8.416 1.643 8.390 1.00 0.00 H new ATOM 0 HD1 HIS A 120 -7.794 3.843 9.757 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -6.044 3.443 5.943 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -5.945 5.615 9.588 1.00 0.00 H new ATOM 1410 N ILE A 121 -5.418 1.080 5.782 1.00 0.00 N ATOM 1411 CA ILE A 121 -4.002 0.729 5.826 1.00 0.00 C ATOM 1412 C ILE A 121 -3.180 1.905 6.360 1.00 0.00 C ATOM 1413 O ILE A 121 -3.264 3.018 5.852 1.00 0.00 O ATOM 1414 CB ILE A 121 -3.533 0.363 4.400 1.00 0.00 C ATOM 1415 CG1 ILE A 121 -4.474 -0.587 3.628 1.00 0.00 C ATOM 1416 CG2 ILE A 121 -2.122 -0.233 4.470 1.00 0.00 C ATOM 1417 CD1 ILE A 121 -4.632 -1.950 4.301 1.00 0.00 C ATOM 0 H ILE A 121 -5.636 1.710 5.010 1.00 0.00 H new ATOM 0 HA ILE A 121 -3.859 -0.122 6.492 1.00 0.00 H new ATOM 0 HB ILE A 121 -3.542 1.293 3.832 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -5.454 -0.120 3.532 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -4.089 -0.729 2.618 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -1.787 -0.493 3.466 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -1.439 0.498 4.903 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -2.136 -1.129 5.091 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -5.305 -2.572 3.710 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -3.659 -2.435 4.373 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -5.045 -1.816 5.301 1.00 0.00 H new ATOM 1429 N LEU A 122 -2.274 1.643 7.289 1.00 0.00 N ATOM 1430 CA LEU A 122 -1.165 2.527 7.581 1.00 0.00 C ATOM 1431 C LEU A 122 -0.156 2.256 6.490 1.00 0.00 C ATOM 1432 O LEU A 122 0.400 1.160 6.410 1.00 0.00 O ATOM 1433 CB LEU A 122 -0.537 2.215 8.944 1.00 0.00 C ATOM 1434 CG LEU A 122 -1.323 2.731 10.152 1.00 0.00 C ATOM 1435 CD1 LEU A 122 -1.495 4.251 10.131 1.00 0.00 C ATOM 1436 CD2 LEU A 122 -2.711 2.112 10.276 1.00 0.00 C ATOM 0 H LEU A 122 -2.291 0.801 7.865 1.00 0.00 H new ATOM 0 HA LEU A 122 -1.491 3.566 7.617 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -0.425 1.135 9.037 1.00 0.00 H new ATOM 0 HB3 LEU A 122 0.465 2.643 8.972 1.00 0.00 H new ATOM 0 HG LEU A 122 -0.718 2.434 11.009 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -2.059 4.566 11.009 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -0.515 4.728 10.139 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -2.034 4.544 9.230 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -3.215 2.520 11.152 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -3.293 2.341 9.383 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -2.619 1.031 10.381 1.00 0.00 H new ATOM 1448 N ALA A 123 0.014 3.217 5.595 1.00 0.00 N ATOM 1449 CA ALA A 123 1.062 3.179 4.608 1.00 0.00 C ATOM 1450 C ALA A 123 2.345 3.687 5.253 1.00 0.00 C ATOM 1451 O ALA A 123 2.340 4.705 5.937 1.00 0.00 O ATOM 1452 CB ALA A 123 0.681 4.055 3.429 1.00 0.00 C ATOM 0 H ALA A 123 -0.578 4.046 5.539 1.00 0.00 H new ATOM 0 HA ALA A 123 1.210 2.161 4.248 1.00 0.00 H new ATOM 0 HB1 ALA A 123 1.475 4.026 2.682 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -0.246 3.688 2.988 1.00 0.00 H new ATOM 0 HB3 ALA A 123 0.540 5.081 3.769 1.00 0.00 H new ATOM 1458 N LYS A 124 3.459 3.036 4.945 1.00 0.00 N ATOM 1459 CA LYS A 124 4.786 3.379 5.435 1.00 0.00 C ATOM 1460 C LYS A 124 5.656 3.972 4.328 1.00 0.00 C ATOM 1461 O LYS A 124 6.640 4.631 4.655 1.00 0.00 O ATOM 1462 CB LYS A 124 5.390 2.150 6.152 1.00 0.00 C ATOM 1463 CG LYS A 124 6.221 1.206 5.264 1.00 0.00 C ATOM 1464 CD LYS A 124 7.712 1.594 5.263 1.00 0.00 C ATOM 1465 CE LYS A 124 8.534 0.852 6.321 1.00 0.00 C ATOM 1466 NZ LYS A 124 8.391 1.414 7.679 1.00 0.00 N ATOM 0 H LYS A 124 3.463 2.226 4.325 1.00 0.00 H new ATOM 0 HA LYS A 124 4.726 4.176 6.176 1.00 0.00 H new ATOM 0 HB2 LYS A 124 6.021 2.501 6.968 1.00 0.00 H new ATOM 0 HB3 LYS A 124 4.578 1.578 6.600 1.00 0.00 H new ATOM 0 HG2 LYS A 124 6.111 0.181 5.619 1.00 0.00 H new ATOM 0 HG3 LYS A 124 5.837 1.233 4.244 1.00 0.00 H new ATOM 0 HD2 LYS A 124 8.132 1.390 4.278 1.00 0.00 H new ATOM 0 HD3 LYS A 124 7.801 2.667 5.431 1.00 0.00 H new ATOM 0 HE2 LYS A 124 8.232 -0.195 6.336 1.00 0.00 H new ATOM 0 HE3 LYS A 124 9.586 0.876 6.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 9.083 0.968 8.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 8.559 2.440 7.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 7.430 1.230 8.031 1.00 0.00 H new ATOM 1480 N GLU A 125 5.314 3.783 3.043 1.00 0.00 N ATOM 1481 CA GLU A 125 6.218 4.153 1.948 1.00 0.00 C ATOM 1482 C GLU A 125 5.574 4.808 0.728 1.00 0.00 C ATOM 1483 O GLU A 125 6.123 5.803 0.272 1.00 0.00 O ATOM 1484 CB GLU A 125 7.100 2.945 1.581 1.00 0.00 C ATOM 1485 CG GLU A 125 6.335 1.778 0.930 1.00 0.00 C ATOM 1486 CD GLU A 125 7.066 0.425 0.907 1.00 0.00 C ATOM 1487 OE1 GLU A 125 7.673 0.027 1.928 1.00 0.00 O ATOM 1488 OE2 GLU A 125 6.880 -0.299 -0.099 1.00 0.00 O ATOM 0 H GLU A 125 4.427 3.380 2.741 1.00 0.00 H new ATOM 0 HA GLU A 125 6.837 4.962 2.335 1.00 0.00 H new ATOM 0 HB2 GLU A 125 7.884 3.276 0.900 1.00 0.00 H new ATOM 0 HB3 GLU A 125 7.594 2.583 2.483 1.00 0.00 H new ATOM 0 HG2 GLU A 125 5.390 1.649 1.458 1.00 0.00 H new ATOM 0 HG3 GLU A 125 6.092 2.055 -0.096 1.00 0.00 H new ATOM 1495 N VAL A 126 4.437 4.297 0.240 1.00 0.00 N ATOM 1496 CA VAL A 126 3.661 4.807 -0.899 1.00 0.00 C ATOM 1497 C VAL A 126 4.457 4.997 -2.199 1.00 0.00 C ATOM 1498 O VAL A 126 5.232 5.929 -2.388 1.00 0.00 O ATOM 1499 CB VAL A 126 2.885 6.073 -0.519 1.00 0.00 C ATOM 1500 CG1 VAL A 126 2.067 6.598 -1.711 1.00 0.00 C ATOM 1501 CG2 VAL A 126 1.861 5.756 0.562 1.00 0.00 C ATOM 0 H VAL A 126 4.009 3.469 0.653 1.00 0.00 H new ATOM 0 HA VAL A 126 2.950 4.014 -1.132 1.00 0.00 H new ATOM 0 HB VAL A 126 3.622 6.805 -0.189 1.00 0.00 H new ATOM 0 HG11 VAL A 126 1.526 7.497 -1.414 1.00 0.00 H new ATOM 0 HG12 VAL A 126 2.738 6.835 -2.537 1.00 0.00 H new ATOM 0 HG13 VAL A 126 1.356 5.835 -2.029 1.00 0.00 H new ATOM 0 HG21 VAL A 126 1.316 6.663 0.824 1.00 0.00 H new ATOM 0 HG22 VAL A 126 1.162 5.006 0.192 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.371 5.372 1.445 1.00 0.00 H new ATOM 1511 N LEU A 127 4.174 4.121 -3.158 1.00 0.00 N ATOM 1512 CA LEU A 127 4.821 4.046 -4.457 1.00 0.00 C ATOM 1513 C LEU A 127 3.737 4.149 -5.521 1.00 0.00 C ATOM 1514 O LEU A 127 2.588 3.817 -5.241 1.00 0.00 O ATOM 1515 CB LEU A 127 5.543 2.697 -4.535 1.00 0.00 C ATOM 1516 CG LEU A 127 6.537 2.462 -3.370 1.00 0.00 C ATOM 1517 CD1 LEU A 127 7.217 1.100 -3.494 1.00 0.00 C ATOM 1518 CD2 LEU A 127 7.567 3.590 -3.242 1.00 0.00 C ATOM 0 H LEU A 127 3.451 3.411 -3.041 1.00 0.00 H new ATOM 0 HA LEU A 127 5.544 4.848 -4.609 1.00 0.00 H new ATOM 0 HB2 LEU A 127 4.803 1.897 -4.538 1.00 0.00 H new ATOM 0 HB3 LEU A 127 6.082 2.636 -5.480 1.00 0.00 H new ATOM 0 HG LEU A 127 5.953 2.467 -2.450 1.00 0.00 H new ATOM 0 HD11 LEU A 127 7.909 0.962 -2.663 1.00 0.00 H new ATOM 0 HD12 LEU A 127 6.463 0.313 -3.472 1.00 0.00 H new ATOM 0 HD13 LEU A 127 7.765 1.051 -4.435 1.00 0.00 H new ATOM 0 HD21 LEU A 127 8.239 3.376 -2.411 1.00 0.00 H new ATOM 0 HD22 LEU A 127 8.143 3.664 -4.165 1.00 0.00 H new ATOM 0 HD23 LEU A 127 7.053 4.533 -3.059 1.00 0.00 H new ATOM 1530 N ALA A 128 4.029 4.649 -6.721 1.00 0.00 N ATOM 1531 CA ALA A 128 3.029 4.938 -7.765 1.00 0.00 C ATOM 1532 C ALA A 128 3.228 4.017 -8.983 1.00 0.00 C ATOM 1533 O ALA A 128 2.902 4.364 -10.115 1.00 0.00 O ATOM 1534 CB ALA A 128 2.977 6.454 -8.057 1.00 0.00 C ATOM 0 H ALA A 128 4.983 4.871 -7.007 1.00 0.00 H new ATOM 0 HA ALA A 128 2.026 4.695 -7.413 1.00 0.00 H new ATOM 0 HB1 ALA A 128 2.234 6.650 -8.830 1.00 0.00 H new ATOM 0 HB2 ALA A 128 2.705 6.991 -7.148 1.00 0.00 H new ATOM 0 HB3 ALA A 128 3.955 6.792 -8.400 1.00 0.00 H new ATOM 1540 N LYS A 129 3.784 2.823 -8.734 1.00 0.00 N ATOM 1541 CA LYS A 129 4.143 1.803 -9.733 1.00 0.00 C ATOM 1542 C LYS A 129 4.855 2.386 -10.964 1.00 0.00 C ATOM 1543 O LYS A 129 4.501 2.092 -12.109 1.00 0.00 O ATOM 1544 CB LYS A 129 2.894 0.967 -10.073 1.00 0.00 C ATOM 1545 CG LYS A 129 2.640 -0.149 -9.043 1.00 0.00 C ATOM 1546 CD LYS A 129 3.429 -1.428 -9.359 1.00 0.00 C ATOM 1547 CE LYS A 129 2.877 -2.112 -10.617 1.00 0.00 C ATOM 1548 NZ LYS A 129 3.732 -3.219 -11.079 1.00 0.00 N ATOM 0 H LYS A 129 4.007 2.526 -7.784 1.00 0.00 H new ATOM 0 HA LYS A 129 4.888 1.135 -9.301 1.00 0.00 H new ATOM 0 HB2 LYS A 129 2.023 1.621 -10.119 1.00 0.00 H new ATOM 0 HB3 LYS A 129 3.013 0.525 -11.062 1.00 0.00 H new ATOM 0 HG2 LYS A 129 2.914 0.208 -8.050 1.00 0.00 H new ATOM 0 HG3 LYS A 129 1.575 -0.380 -9.016 1.00 0.00 H new ATOM 0 HD2 LYS A 129 4.482 -1.185 -9.504 1.00 0.00 H new ATOM 0 HD3 LYS A 129 3.374 -2.113 -8.513 1.00 0.00 H new ATOM 0 HE2 LYS A 129 1.876 -2.492 -10.411 1.00 0.00 H new ATOM 0 HE3 LYS A 129 2.780 -1.375 -11.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 3.316 -3.647 -11.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 4.680 -2.855 -11.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 3.805 -3.937 -10.330 1.00 0.00 H new