USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 684 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 98 THR OG1 : rot 127:sc= 0.571 USER MOD Set 1.2: A 125 THR OG1 : rot 33:sc= 0.773 USER MOD Set 2.1: A 47 GLN :FLIP amide:sc= 1.13 F(o=0.18,f=1.7) USER MOD Set 2.2: A 51 HIS : no HD1:sc= 0.532 K(o=1.7,f=-2.8) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0327) USER MOD Single : A 52 THR OG1 : rot 41:sc= 0.0116 USER MOD Single : A 58 THR OG1 : rot -107:sc= 0.626 USER MOD Single : A 65 THR OG1 : rot 68:sc= 0.0946 USER MOD Single : A 66 MET CE :methyl 157:sc= -0.0961 (180deg=-1.23) USER MOD Single : A 80 LYS NZ :NH3+ -148:sc= 1.29 (180deg=0.161) USER MOD Single : A 82 ASN :FLIP amide:sc= -2.24 F(o=-3.2!,f=-2.2) USER MOD Single : A 83 THR OG1 : rot -28:sc= 0.142 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -138:sc= 0.88 USER MOD Single : A 91 TYR OH : rot -177:sc= 0.779 USER MOD Single : A 92 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0881) USER MOD Single : A 100 LYS NZ :NH3+ -172:sc= 0.0205 (180deg=-0.0146) USER MOD Single : A 117 THR OG1 : rot 25:sc= 0.558 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 180:sc= -0.59 USER MOD Single : A 124 MET CE :methyl -179:sc= -0.863 (180deg=-0.864) USER MOD Single : A 126 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00256) USER MOD Single : A 127 CYS SG : rot 15:sc= 0.331 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 43 -23.840 13.383 -5.301 1.00 0.00 N ATOM 2 CA MET A 43 -24.830 12.280 -5.214 1.00 0.00 C ATOM 3 C MET A 43 -24.699 11.574 -3.858 1.00 0.00 C ATOM 4 O MET A 43 -25.692 11.394 -3.140 1.00 0.00 O ATOM 5 CB MET A 43 -24.629 11.294 -6.406 1.00 0.00 C ATOM 6 CG MET A 43 -25.657 10.142 -6.512 1.00 0.00 C ATOM 7 SD MET A 43 -25.468 8.888 -5.216 1.00 0.00 S ATOM 8 CE MET A 43 -26.748 7.713 -5.662 1.00 0.00 C ATOM 0 HA MET A 43 -25.841 12.681 -5.284 1.00 0.00 H new ATOM 0 HB2 MET A 43 -24.656 11.866 -7.334 1.00 0.00 H new ATOM 0 HB3 MET A 43 -23.632 10.860 -6.329 1.00 0.00 H new ATOM 0 HG2 MET A 43 -26.664 10.557 -6.462 1.00 0.00 H new ATOM 0 HG3 MET A 43 -25.558 9.665 -7.487 1.00 0.00 H new ATOM 0 HE1 MET A 43 -26.748 6.887 -4.950 1.00 0.00 H new ATOM 0 HE2 MET A 43 -27.719 8.208 -5.643 1.00 0.00 H new ATOM 0 HE3 MET A 43 -26.556 7.329 -6.664 1.00 0.00 H new ATOM 20 N ALA A 44 -23.453 11.195 -3.513 1.00 0.00 N ATOM 21 CA ALA A 44 -23.127 10.476 -2.267 1.00 0.00 C ATOM 22 C ALA A 44 -23.059 11.441 -1.065 1.00 0.00 C ATOM 23 O ALA A 44 -23.389 12.634 -1.188 1.00 0.00 O ATOM 24 CB ALA A 44 -21.788 9.731 -2.445 1.00 0.00 C ATOM 0 H ALA A 44 -22.638 11.381 -4.097 1.00 0.00 H new ATOM 0 HA ALA A 44 -23.918 9.755 -2.060 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -21.543 9.198 -1.526 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -21.874 9.019 -3.266 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -20.999 10.449 -2.669 1.00 0.00 H new ATOM 30 N THR A 45 -22.645 10.911 0.102 1.00 0.00 N ATOM 31 CA THR A 45 -22.424 11.708 1.324 1.00 0.00 C ATOM 32 C THR A 45 -20.916 11.709 1.694 1.00 0.00 C ATOM 33 O THR A 45 -20.439 10.822 2.412 1.00 0.00 O ATOM 34 CB THR A 45 -23.339 11.218 2.514 1.00 0.00 C ATOM 35 OG1 THR A 45 -23.030 11.935 3.720 1.00 0.00 O ATOM 36 CG2 THR A 45 -23.258 9.699 2.780 1.00 0.00 C ATOM 0 H THR A 45 -22.454 9.916 0.224 1.00 0.00 H new ATOM 0 HA THR A 45 -22.717 12.739 1.125 1.00 0.00 H new ATOM 0 HB THR A 45 -24.362 11.428 2.202 1.00 0.00 H new ATOM 0 HG1 THR A 45 -23.608 11.619 4.446 1.00 0.00 H new ATOM 0 HG21 THR A 45 -23.914 9.440 3.611 1.00 0.00 H new ATOM 0 HG22 THR A 45 -23.571 9.156 1.888 1.00 0.00 H new ATOM 0 HG23 THR A 45 -22.232 9.427 3.029 1.00 0.00 H new ATOM 44 N PRO A 46 -20.110 12.695 1.160 1.00 0.00 N ATOM 45 CA PRO A 46 -18.678 12.819 1.494 1.00 0.00 C ATOM 46 C PRO A 46 -18.493 13.393 2.907 1.00 0.00 C ATOM 47 O PRO A 46 -18.897 14.530 3.173 1.00 0.00 O ATOM 48 CB PRO A 46 -18.104 13.782 0.401 1.00 0.00 C ATOM 49 CG PRO A 46 -19.233 14.012 -0.565 1.00 0.00 C ATOM 50 CD PRO A 46 -20.510 13.753 0.206 1.00 0.00 C ATOM 0 HA PRO A 46 -18.164 11.858 1.499 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -17.768 14.720 0.842 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -17.243 13.339 -0.100 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -19.212 15.031 -0.952 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -19.154 13.343 -1.422 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -20.861 14.648 0.719 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -21.317 13.423 -0.448 1.00 0.00 H new ATOM 58 N GLN A 47 -17.916 12.586 3.805 1.00 0.00 N ATOM 59 CA GLN A 47 -17.550 13.028 5.169 1.00 0.00 C ATOM 60 C GLN A 47 -16.261 13.885 5.119 1.00 0.00 C ATOM 61 O GLN A 47 -15.725 14.161 4.030 1.00 0.00 O ATOM 62 CB GLN A 47 -17.354 11.795 6.097 1.00 0.00 C ATOM 63 CG GLN A 47 -16.201 10.862 5.681 1.00 0.00 C ATOM 64 CD GLN A 47 -16.059 9.643 6.590 1.00 0.00 C ATOM 65 OE1 GLN A 47 -16.750 8.559 6.263 1.00 0.00 O flip ATOM 66 NE2 GLN A 47 -15.336 9.676 7.582 1.00 0.00 N flip ATOM 0 H GLN A 47 -17.688 11.610 3.614 1.00 0.00 H new ATOM 0 HA GLN A 47 -18.357 13.638 5.575 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -17.173 12.146 7.113 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -18.280 11.221 6.118 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -16.364 10.527 4.657 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -15.267 11.424 5.688 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -14.817 10.525 7.807 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -15.254 8.855 8.181 1.00 0.00 H new ATOM 75 N ASP A 48 -15.774 14.308 6.300 1.00 0.00 N ATOM 76 CA ASP A 48 -14.484 15.000 6.429 1.00 0.00 C ATOM 77 C ASP A 48 -13.331 14.026 6.109 1.00 0.00 C ATOM 78 O ASP A 48 -13.259 12.932 6.678 1.00 0.00 O ATOM 79 CB ASP A 48 -14.331 15.603 7.852 1.00 0.00 C ATOM 80 CG ASP A 48 -15.381 16.695 8.142 1.00 0.00 C ATOM 81 OD1 ASP A 48 -15.189 17.852 7.705 1.00 0.00 O ATOM 82 OD2 ASP A 48 -16.414 16.404 8.783 1.00 0.00 O ATOM 0 H ASP A 48 -16.263 14.179 7.186 1.00 0.00 H new ATOM 0 HA ASP A 48 -14.447 15.822 5.714 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -14.423 14.808 8.592 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -13.332 16.025 7.960 1.00 0.00 H new ATOM 87 N LYS A 49 -12.447 14.437 5.180 1.00 0.00 N ATOM 88 CA LYS A 49 -11.280 13.640 4.746 1.00 0.00 C ATOM 89 C LYS A 49 -10.155 13.657 5.807 1.00 0.00 C ATOM 90 O LYS A 49 -9.133 12.986 5.642 1.00 0.00 O ATOM 91 CB LYS A 49 -10.768 14.147 3.369 1.00 0.00 C ATOM 92 CG LYS A 49 -10.365 15.638 3.331 1.00 0.00 C ATOM 93 CD LYS A 49 -9.916 16.098 1.927 1.00 0.00 C ATOM 94 CE LYS A 49 -9.607 17.602 1.878 1.00 0.00 C ATOM 95 NZ LYS A 49 -8.497 17.985 2.792 1.00 0.00 N ATOM 0 H LYS A 49 -12.522 15.337 4.706 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.597 12.603 4.635 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -9.908 13.546 3.074 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.546 13.977 2.624 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -11.209 16.247 3.656 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.556 15.810 4.041 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.030 15.537 1.629 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -10.698 15.866 1.204 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.347 17.883 0.858 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -10.503 18.163 2.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -8.282 18.996 2.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.780 17.805 3.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.652 17.422 2.567 1.00 0.00 H new ATOM 109 N LEU A 50 -10.362 14.428 6.897 1.00 0.00 N ATOM 110 CA LEU A 50 -9.500 14.407 8.093 1.00 0.00 C ATOM 111 C LEU A 50 -9.877 13.213 8.998 1.00 0.00 C ATOM 112 O LEU A 50 -10.292 13.379 10.154 1.00 0.00 O ATOM 113 CB LEU A 50 -9.611 15.765 8.846 1.00 0.00 C ATOM 114 CG LEU A 50 -9.081 17.014 8.068 1.00 0.00 C ATOM 115 CD1 LEU A 50 -9.309 18.322 8.859 1.00 0.00 C ATOM 116 CD2 LEU A 50 -7.592 16.844 7.680 1.00 0.00 C ATOM 0 H LEU A 50 -11.138 15.086 6.969 1.00 0.00 H new ATOM 0 HA LEU A 50 -8.460 14.276 7.794 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.657 15.935 9.100 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.064 15.685 9.785 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.658 17.089 7.147 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.927 19.166 8.285 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -10.376 18.458 9.038 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -8.785 18.266 9.813 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.253 17.729 7.141 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.993 16.718 8.582 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.480 15.966 7.044 1.00 0.00 H new ATOM 128 N HIS A 51 -9.750 12.007 8.423 1.00 0.00 N ATOM 129 CA HIS A 51 -9.972 10.712 9.093 1.00 0.00 C ATOM 130 C HIS A 51 -8.980 9.695 8.509 1.00 0.00 C ATOM 131 O HIS A 51 -8.550 9.831 7.357 1.00 0.00 O ATOM 132 CB HIS A 51 -11.425 10.186 8.891 1.00 0.00 C ATOM 133 CG HIS A 51 -12.494 10.945 9.629 1.00 0.00 C ATOM 134 ND1 HIS A 51 -13.586 11.500 9.004 1.00 0.00 N ATOM 135 CD2 HIS A 51 -12.641 11.219 10.948 1.00 0.00 C ATOM 136 CE1 HIS A 51 -14.361 12.077 9.896 1.00 0.00 C ATOM 137 NE2 HIS A 51 -13.814 11.921 11.084 1.00 0.00 N ATOM 0 H HIS A 51 -9.481 11.901 7.445 1.00 0.00 H new ATOM 0 HA HIS A 51 -9.821 10.847 10.164 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -11.657 10.208 7.826 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -11.462 9.142 9.204 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -11.964 10.939 11.742 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -15.288 12.591 9.690 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -14.199 12.266 11.963 1.00 0.00 H new ATOM 146 N THR A 52 -8.630 8.680 9.306 1.00 0.00 N ATOM 147 CA THR A 52 -7.717 7.606 8.897 1.00 0.00 C ATOM 148 C THR A 52 -8.500 6.308 8.656 1.00 0.00 C ATOM 149 O THR A 52 -9.192 5.810 9.552 1.00 0.00 O ATOM 150 CB THR A 52 -6.602 7.385 9.974 1.00 0.00 C ATOM 151 OG1 THR A 52 -7.177 7.365 11.296 1.00 0.00 O ATOM 152 CG2 THR A 52 -5.510 8.464 9.895 1.00 0.00 C ATOM 0 H THR A 52 -8.975 8.579 10.261 1.00 0.00 H new ATOM 0 HA THR A 52 -7.233 7.900 7.965 1.00 0.00 H new ATOM 0 HB THR A 52 -6.137 6.421 9.767 1.00 0.00 H new ATOM 0 HG1 THR A 52 -8.019 6.864 11.279 1.00 0.00 H new ATOM 0 HG21 THR A 52 -4.756 8.275 10.659 1.00 0.00 H new ATOM 0 HG22 THR A 52 -5.044 8.438 8.910 1.00 0.00 H new ATOM 0 HG23 THR A 52 -5.955 9.445 10.060 1.00 0.00 H new ATOM 160 N VAL A 53 -8.390 5.781 7.430 1.00 0.00 N ATOM 161 CA VAL A 53 -9.034 4.530 7.030 1.00 0.00 C ATOM 162 C VAL A 53 -7.979 3.419 7.096 1.00 0.00 C ATOM 163 O VAL A 53 -6.953 3.498 6.413 1.00 0.00 O ATOM 164 CB VAL A 53 -9.630 4.624 5.576 1.00 0.00 C ATOM 165 CG1 VAL A 53 -10.424 3.342 5.204 1.00 0.00 C ATOM 166 CG2 VAL A 53 -10.503 5.893 5.410 1.00 0.00 C ATOM 0 H VAL A 53 -7.847 6.216 6.684 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.865 4.319 7.703 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.793 4.703 4.882 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.822 3.441 4.194 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -9.762 2.478 5.250 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.247 3.207 5.906 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -10.901 5.931 4.396 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -11.327 5.863 6.122 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -9.896 6.779 5.595 1.00 0.00 H new ATOM 176 N ARG A 54 -8.207 2.417 7.951 1.00 0.00 N ATOM 177 CA ARG A 54 -7.277 1.292 8.132 1.00 0.00 C ATOM 178 C ARG A 54 -7.679 0.153 7.180 1.00 0.00 C ATOM 179 O ARG A 54 -8.811 -0.338 7.243 1.00 0.00 O ATOM 180 CB ARG A 54 -7.306 0.814 9.611 1.00 0.00 C ATOM 181 CG ARG A 54 -6.070 0.005 10.066 1.00 0.00 C ATOM 182 CD ARG A 54 -4.786 0.859 10.069 1.00 0.00 C ATOM 183 NE ARG A 54 -3.658 0.182 10.736 1.00 0.00 N ATOM 184 CZ ARG A 54 -2.472 0.749 11.023 1.00 0.00 C ATOM 185 NH1 ARG A 54 -2.235 2.021 10.746 1.00 0.00 N ATOM 186 NH2 ARG A 54 -1.537 0.031 11.617 1.00 0.00 N ATOM 0 H ARG A 54 -9.040 2.361 8.538 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.260 1.608 7.899 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.407 1.687 10.256 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.196 0.203 9.761 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -6.244 -0.390 11.067 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.934 -0.851 9.405 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.508 1.094 9.042 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.985 1.806 10.570 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.787 -0.794 11.001 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.958 2.591 10.307 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.329 2.432 10.972 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.717 -0.945 11.854 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.635 0.452 11.839 1.00 0.00 H new ATOM 200 N LEU A 55 -6.758 -0.259 6.299 1.00 0.00 N ATOM 201 CA LEU A 55 -7.028 -1.279 5.257 1.00 0.00 C ATOM 202 C LEU A 55 -5.905 -2.348 5.324 1.00 0.00 C ATOM 203 O LEU A 55 -4.732 -2.020 5.522 1.00 0.00 O ATOM 204 CB LEU A 55 -7.122 -0.590 3.846 1.00 0.00 C ATOM 205 CG LEU A 55 -8.173 -1.160 2.823 1.00 0.00 C ATOM 206 CD1 LEU A 55 -8.116 -0.390 1.482 1.00 0.00 C ATOM 207 CD2 LEU A 55 -8.008 -2.678 2.584 1.00 0.00 C ATOM 0 H LEU A 55 -5.803 0.100 6.282 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.984 -1.773 5.428 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.344 0.466 4.002 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.138 -0.643 3.381 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.155 -1.012 3.272 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.852 -0.804 0.793 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.335 0.663 1.658 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.120 -0.486 1.049 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.759 -3.018 1.870 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.013 -2.878 2.187 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.136 -3.211 3.526 1.00 0.00 H new ATOM 219 N PHE A 56 -6.290 -3.628 5.187 1.00 0.00 N ATOM 220 CA PHE A 56 -5.379 -4.793 5.313 1.00 0.00 C ATOM 221 C PHE A 56 -5.374 -5.601 3.996 1.00 0.00 C ATOM 222 O PHE A 56 -6.357 -5.560 3.240 1.00 0.00 O ATOM 223 CB PHE A 56 -5.853 -5.716 6.474 1.00 0.00 C ATOM 224 CG PHE A 56 -5.851 -5.080 7.870 1.00 0.00 C ATOM 225 CD1 PHE A 56 -6.789 -4.105 8.224 1.00 0.00 C ATOM 226 CD2 PHE A 56 -4.928 -5.469 8.835 1.00 0.00 C ATOM 227 CE1 PHE A 56 -6.791 -3.542 9.485 1.00 0.00 C ATOM 228 CE2 PHE A 56 -4.935 -4.904 10.096 1.00 0.00 C ATOM 229 CZ PHE A 56 -5.865 -3.943 10.421 1.00 0.00 C ATOM 0 H PHE A 56 -7.254 -3.893 4.983 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.373 -4.429 5.524 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.864 -6.059 6.252 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.214 -6.599 6.496 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -7.524 -3.787 7.499 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.194 -6.224 8.595 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -7.520 -2.786 9.737 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.207 -5.218 10.830 1.00 0.00 H new ATOM 0 HZ PHE A 56 -5.868 -3.505 11.408 1.00 0.00 H new ATOM 239 N GLY A 57 -4.274 -6.331 3.732 1.00 0.00 N ATOM 240 CA GLY A 57 -4.215 -7.260 2.593 1.00 0.00 C ATOM 241 C GLY A 57 -2.794 -7.667 2.233 1.00 0.00 C ATOM 242 O GLY A 57 -1.896 -7.623 3.082 1.00 0.00 O ATOM 0 H GLY A 57 -3.420 -6.295 4.289 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.794 -8.153 2.829 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.685 -6.795 1.726 1.00 0.00 H new ATOM 246 N THR A 58 -2.594 -8.068 0.965 1.00 0.00 N ATOM 247 CA THR A 58 -1.276 -8.460 0.426 1.00 0.00 C ATOM 248 C THR A 58 -0.950 -7.613 -0.817 1.00 0.00 C ATOM 249 O THR A 58 -1.854 -7.268 -1.592 1.00 0.00 O ATOM 250 CB THR A 58 -1.260 -9.976 0.042 1.00 0.00 C ATOM 251 OG1 THR A 58 -1.826 -10.738 1.118 1.00 0.00 O ATOM 252 CG2 THR A 58 0.161 -10.501 -0.262 1.00 0.00 C ATOM 0 H THR A 58 -3.347 -8.130 0.279 1.00 0.00 H new ATOM 0 HA THR A 58 -0.525 -8.288 1.197 1.00 0.00 H new ATOM 0 HB THR A 58 -1.848 -10.088 -0.869 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.114 -11.223 1.585 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.110 -11.558 -0.522 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.585 -9.942 -1.096 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.792 -10.374 0.618 1.00 0.00 H new ATOM 260 N VAL A 59 0.336 -7.292 -0.993 1.00 0.00 N ATOM 261 CA VAL A 59 0.833 -6.557 -2.160 1.00 0.00 C ATOM 262 C VAL A 59 1.131 -7.554 -3.285 1.00 0.00 C ATOM 263 O VAL A 59 1.950 -8.475 -3.107 1.00 0.00 O ATOM 264 CB VAL A 59 2.124 -5.742 -1.810 1.00 0.00 C ATOM 265 CG1 VAL A 59 2.724 -5.031 -3.050 1.00 0.00 C ATOM 266 CG2 VAL A 59 1.829 -4.732 -0.682 1.00 0.00 C ATOM 0 H VAL A 59 1.066 -7.537 -0.324 1.00 0.00 H new ATOM 0 HA VAL A 59 0.070 -5.848 -2.480 1.00 0.00 H new ATOM 0 HB VAL A 59 2.875 -6.451 -1.461 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.617 -4.479 -2.756 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.987 -5.774 -3.803 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.990 -4.339 -3.463 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.735 -4.172 -0.449 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.050 -4.042 -1.006 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.494 -5.267 0.207 1.00 0.00 H new ATOM 276 N ALA A 60 0.448 -7.367 -4.424 1.00 0.00 N ATOM 277 CA ALA A 60 0.629 -8.201 -5.616 1.00 0.00 C ATOM 278 C ALA A 60 1.926 -7.835 -6.352 1.00 0.00 C ATOM 279 O ALA A 60 2.434 -6.710 -6.226 1.00 0.00 O ATOM 280 CB ALA A 60 -0.585 -8.067 -6.549 1.00 0.00 C ATOM 0 H ALA A 60 -0.247 -6.630 -4.542 1.00 0.00 H new ATOM 0 HA ALA A 60 0.709 -9.241 -5.298 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.437 -8.691 -7.430 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.485 -8.387 -6.024 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.695 -7.027 -6.856 1.00 0.00 H new ATOM 286 N ALA A 61 2.438 -8.800 -7.129 1.00 0.00 N ATOM 287 CA ALA A 61 3.637 -8.610 -7.962 1.00 0.00 C ATOM 288 C ALA A 61 3.273 -7.875 -9.270 1.00 0.00 C ATOM 289 O ALA A 61 4.149 -7.336 -9.956 1.00 0.00 O ATOM 290 CB ALA A 61 4.284 -9.974 -8.250 1.00 0.00 C ATOM 0 H ALA A 61 2.034 -9.734 -7.199 1.00 0.00 H new ATOM 0 HA ALA A 61 4.357 -7.992 -7.426 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.172 -9.833 -8.867 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.567 -10.448 -7.310 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.573 -10.610 -8.778 1.00 0.00 H new ATOM 296 N ASP A 62 1.969 -7.874 -9.601 1.00 0.00 N ATOM 297 CA ASP A 62 1.437 -7.204 -10.798 1.00 0.00 C ATOM 298 C ASP A 62 1.220 -5.710 -10.525 1.00 0.00 C ATOM 299 O ASP A 62 0.601 -5.340 -9.520 1.00 0.00 O ATOM 300 CB ASP A 62 0.101 -7.861 -11.231 1.00 0.00 C ATOM 301 CG ASP A 62 -0.524 -7.197 -12.479 1.00 0.00 C ATOM 302 OD1 ASP A 62 0.124 -7.208 -13.550 1.00 0.00 O ATOM 303 OD2 ASP A 62 -1.636 -6.637 -12.392 1.00 0.00 O ATOM 0 H ASP A 62 1.254 -8.340 -9.043 1.00 0.00 H new ATOM 0 HA ASP A 62 2.163 -7.311 -11.604 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.272 -8.918 -11.436 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.608 -7.808 -10.405 1.00 0.00 H new ATOM 308 N GLY A 63 1.781 -4.869 -11.404 1.00 0.00 N ATOM 309 CA GLY A 63 1.532 -3.428 -11.394 1.00 0.00 C ATOM 310 C GLY A 63 2.256 -2.672 -10.290 1.00 0.00 C ATOM 311 O GLY A 63 2.000 -1.474 -10.092 1.00 0.00 O ATOM 0 H GLY A 63 2.419 -5.172 -12.140 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.830 -3.014 -12.357 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.460 -3.258 -11.292 1.00 0.00 H new ATOM 315 N LEU A 64 3.158 -3.363 -9.570 1.00 0.00 N ATOM 316 CA LEU A 64 3.950 -2.752 -8.499 1.00 0.00 C ATOM 317 C LEU A 64 4.953 -1.776 -9.156 1.00 0.00 C ATOM 318 O LEU A 64 5.929 -2.196 -9.782 1.00 0.00 O ATOM 319 CB LEU A 64 4.655 -3.851 -7.641 1.00 0.00 C ATOM 320 CG LEU A 64 5.097 -3.440 -6.185 1.00 0.00 C ATOM 321 CD1 LEU A 64 5.585 -4.670 -5.389 1.00 0.00 C ATOM 322 CD2 LEU A 64 6.177 -2.333 -6.175 1.00 0.00 C ATOM 0 H LEU A 64 3.354 -4.353 -9.716 1.00 0.00 H new ATOM 0 HA LEU A 64 3.314 -2.196 -7.810 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.982 -4.705 -7.564 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.539 -4.189 -8.182 1.00 0.00 H new ATOM 0 HG LEU A 64 4.212 -3.028 -5.700 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.884 -4.360 -4.388 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.779 -5.400 -5.317 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.437 -5.119 -5.900 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.441 -2.092 -5.145 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.063 -2.684 -6.704 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.789 -1.442 -6.668 1.00 0.00 H new ATOM 334 N THR A 65 4.640 -0.485 -9.050 1.00 0.00 N ATOM 335 CA THR A 65 5.434 0.608 -9.607 1.00 0.00 C ATOM 336 C THR A 65 5.961 1.479 -8.455 1.00 0.00 C ATOM 337 O THR A 65 5.174 2.125 -7.775 1.00 0.00 O ATOM 338 CB THR A 65 4.551 1.467 -10.574 1.00 0.00 C ATOM 339 OG1 THR A 65 3.942 0.613 -11.561 1.00 0.00 O ATOM 340 CG2 THR A 65 5.359 2.579 -11.270 1.00 0.00 C ATOM 0 H THR A 65 3.805 -0.163 -8.561 1.00 0.00 H new ATOM 0 HA THR A 65 6.275 0.204 -10.171 1.00 0.00 H new ATOM 0 HB THR A 65 3.782 1.952 -9.973 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.289 0.025 -11.127 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.703 3.147 -11.930 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.783 3.245 -10.519 1.00 0.00 H new ATOM 0 HG23 THR A 65 6.163 2.133 -11.855 1.00 0.00 H new ATOM 348 N MET A 66 7.284 1.497 -8.246 1.00 0.00 N ATOM 349 CA MET A 66 7.908 2.342 -7.211 1.00 0.00 C ATOM 350 C MET A 66 8.222 3.698 -7.843 1.00 0.00 C ATOM 351 O MET A 66 8.691 3.752 -8.986 1.00 0.00 O ATOM 352 CB MET A 66 9.179 1.679 -6.608 1.00 0.00 C ATOM 353 CG MET A 66 8.902 0.365 -5.855 1.00 0.00 C ATOM 354 SD MET A 66 10.316 -0.232 -4.907 1.00 0.00 S ATOM 355 CE MET A 66 10.493 1.047 -3.659 1.00 0.00 C ATOM 0 H MET A 66 7.947 0.935 -8.780 1.00 0.00 H new ATOM 0 HA MET A 66 7.220 2.471 -6.376 1.00 0.00 H new ATOM 0 HB2 MET A 66 9.890 1.483 -7.411 1.00 0.00 H new ATOM 0 HB3 MET A 66 9.655 2.383 -5.926 1.00 0.00 H new ATOM 0 HG2 MET A 66 8.059 0.513 -5.181 1.00 0.00 H new ATOM 0 HG3 MET A 66 8.606 -0.400 -6.572 1.00 0.00 H new ATOM 0 HE1 MET A 66 11.019 0.642 -2.795 1.00 0.00 H new ATOM 0 HE2 MET A 66 11.061 1.881 -4.071 1.00 0.00 H new ATOM 0 HE3 MET A 66 9.507 1.396 -3.353 1.00 0.00 H new ATOM 365 N LEU A 67 7.931 4.782 -7.112 1.00 0.00 N ATOM 366 CA LEU A 67 8.060 6.150 -7.633 1.00 0.00 C ATOM 367 C LEU A 67 9.547 6.495 -7.855 1.00 0.00 C ATOM 368 O LEU A 67 10.374 6.266 -6.974 1.00 0.00 O ATOM 369 CB LEU A 67 7.364 7.148 -6.665 1.00 0.00 C ATOM 370 CG LEU A 67 5.847 6.857 -6.380 1.00 0.00 C ATOM 371 CD1 LEU A 67 5.229 7.896 -5.412 1.00 0.00 C ATOM 372 CD2 LEU A 67 5.036 6.768 -7.691 1.00 0.00 C ATOM 0 H LEU A 67 7.601 4.737 -6.148 1.00 0.00 H new ATOM 0 HA LEU A 67 7.563 6.226 -8.600 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.902 7.145 -5.717 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.453 8.152 -7.079 1.00 0.00 H new ATOM 0 HG LEU A 67 5.796 5.886 -5.887 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.179 7.656 -5.243 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.764 7.872 -4.463 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.308 8.892 -5.848 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.990 6.566 -7.459 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.112 7.712 -8.231 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.432 5.963 -8.310 1.00 0.00 H new ATOM 384 N ASP A 68 9.881 6.983 -9.064 1.00 0.00 N ATOM 385 CA ASP A 68 11.270 7.294 -9.461 1.00 0.00 C ATOM 386 C ASP A 68 11.574 8.766 -9.131 1.00 0.00 C ATOM 387 O ASP A 68 10.988 9.681 -9.717 1.00 0.00 O ATOM 388 CB ASP A 68 11.513 6.959 -10.969 1.00 0.00 C ATOM 389 CG ASP A 68 10.515 7.611 -11.951 1.00 0.00 C ATOM 390 OD1 ASP A 68 9.358 7.138 -12.035 1.00 0.00 O ATOM 391 OD2 ASP A 68 10.881 8.579 -12.656 1.00 0.00 O ATOM 0 H ASP A 68 9.196 7.174 -9.795 1.00 0.00 H new ATOM 0 HA ASP A 68 11.960 6.669 -8.895 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.522 7.273 -11.238 1.00 0.00 H new ATOM 0 HB3 ASP A 68 11.471 5.877 -11.097 1.00 0.00 H new ATOM 396 N GLY A 69 12.477 8.974 -8.151 1.00 0.00 N ATOM 397 CA GLY A 69 12.804 10.311 -7.639 1.00 0.00 C ATOM 398 C GLY A 69 12.083 10.614 -6.326 1.00 0.00 C ATOM 399 O GLY A 69 12.601 11.359 -5.483 1.00 0.00 O ATOM 0 H GLY A 69 12.995 8.221 -7.698 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.881 10.388 -7.487 1.00 0.00 H new ATOM 0 HA3 GLY A 69 12.533 11.060 -8.383 1.00 0.00 H new ATOM 403 N ALA A 70 10.884 10.032 -6.155 1.00 0.00 N ATOM 404 CA ALA A 70 10.084 10.149 -4.919 1.00 0.00 C ATOM 405 C ALA A 70 10.198 8.840 -4.102 1.00 0.00 C ATOM 406 O ALA A 70 10.201 7.762 -4.693 1.00 0.00 O ATOM 407 CB ALA A 70 8.622 10.449 -5.272 1.00 0.00 C ATOM 0 H ALA A 70 10.438 9.463 -6.874 1.00 0.00 H new ATOM 0 HA ALA A 70 10.465 10.971 -4.312 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.037 10.534 -4.356 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.566 11.386 -5.827 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.222 9.641 -5.884 1.00 0.00 H new ATOM 413 N PRO A 71 10.268 8.896 -2.729 1.00 0.00 N ATOM 414 CA PRO A 71 10.481 7.698 -1.875 1.00 0.00 C ATOM 415 C PRO A 71 9.223 6.825 -1.689 1.00 0.00 C ATOM 416 O PRO A 71 9.249 5.876 -0.903 1.00 0.00 O ATOM 417 CB PRO A 71 10.956 8.295 -0.507 1.00 0.00 C ATOM 418 CG PRO A 71 11.043 9.788 -0.718 1.00 0.00 C ATOM 419 CD PRO A 71 10.147 10.111 -1.892 1.00 0.00 C ATOM 0 HA PRO A 71 11.199 7.018 -2.334 1.00 0.00 H new ATOM 0 HB2 PRO A 71 10.253 8.053 0.290 1.00 0.00 H new ATOM 0 HB3 PRO A 71 11.923 7.884 -0.216 1.00 0.00 H new ATOM 0 HG2 PRO A 71 10.721 10.325 0.174 1.00 0.00 H new ATOM 0 HG3 PRO A 71 12.070 10.092 -0.919 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.118 10.289 -1.580 1.00 0.00 H new ATOM 0 HD3 PRO A 71 10.478 11.004 -2.422 1.00 0.00 H new ATOM 427 N GLY A 72 8.138 7.161 -2.409 1.00 0.00 N ATOM 428 CA GLY A 72 6.853 6.461 -2.286 1.00 0.00 C ATOM 429 C GLY A 72 6.714 5.276 -3.242 1.00 0.00 C ATOM 430 O GLY A 72 7.683 4.883 -3.909 1.00 0.00 O ATOM 0 H GLY A 72 8.130 7.922 -3.088 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.737 6.108 -1.261 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.044 7.167 -2.474 1.00 0.00 H new ATOM 434 N VAL A 73 5.493 4.717 -3.316 1.00 0.00 N ATOM 435 CA VAL A 73 5.176 3.569 -4.185 1.00 0.00 C ATOM 436 C VAL A 73 3.678 3.560 -4.553 1.00 0.00 C ATOM 437 O VAL A 73 2.845 4.134 -3.851 1.00 0.00 O ATOM 438 CB VAL A 73 5.566 2.193 -3.498 1.00 0.00 C ATOM 439 CG1 VAL A 73 4.717 1.906 -2.231 1.00 0.00 C ATOM 440 CG2 VAL A 73 5.491 1.004 -4.486 1.00 0.00 C ATOM 0 H VAL A 73 4.696 5.049 -2.773 1.00 0.00 H new ATOM 0 HA VAL A 73 5.768 3.678 -5.094 1.00 0.00 H new ATOM 0 HB VAL A 73 6.604 2.299 -3.183 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.021 0.954 -1.797 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.870 2.702 -1.502 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.662 1.860 -2.502 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.767 0.084 -3.970 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.475 0.914 -4.871 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.179 1.175 -5.314 1.00 0.00 H new ATOM 450 N ARG A 74 3.372 2.943 -5.694 1.00 0.00 N ATOM 451 CA ARG A 74 2.026 2.527 -6.077 1.00 0.00 C ATOM 452 C ARG A 74 2.048 1.005 -6.318 1.00 0.00 C ATOM 453 O ARG A 74 2.994 0.473 -6.900 1.00 0.00 O ATOM 454 CB ARG A 74 1.552 3.276 -7.340 1.00 0.00 C ATOM 455 CG ARG A 74 0.115 2.916 -7.779 1.00 0.00 C ATOM 456 CD ARG A 74 -0.351 3.712 -9.006 1.00 0.00 C ATOM 457 NE ARG A 74 -0.284 5.166 -8.769 1.00 0.00 N ATOM 458 CZ ARG A 74 -1.234 6.058 -9.067 1.00 0.00 C ATOM 459 NH1 ARG A 74 -2.400 5.673 -9.575 1.00 0.00 N ATOM 460 NH2 ARG A 74 -1.004 7.341 -8.841 1.00 0.00 N ATOM 0 H ARG A 74 4.075 2.713 -6.396 1.00 0.00 H new ATOM 0 HA ARG A 74 1.323 2.770 -5.280 1.00 0.00 H new ATOM 0 HB2 ARG A 74 1.607 4.349 -7.156 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.237 3.057 -8.159 1.00 0.00 H new ATOM 0 HG2 ARG A 74 0.065 1.850 -8.003 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.570 3.100 -6.951 1.00 0.00 H new ATOM 0 HD2 ARG A 74 0.269 3.454 -9.864 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -1.374 3.430 -9.256 1.00 0.00 H new ATOM 0 HE ARG A 74 0.567 5.525 -8.337 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -2.581 4.683 -9.743 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -3.114 6.367 -9.797 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -0.112 7.637 -8.445 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.719 8.034 -9.063 1.00 0.00 H new ATOM 474 N PHE A 75 1.014 0.321 -5.853 1.00 0.00 N ATOM 475 CA PHE A 75 0.867 -1.137 -5.990 1.00 0.00 C ATOM 476 C PHE A 75 -0.621 -1.469 -6.028 1.00 0.00 C ATOM 477 O PHE A 75 -1.449 -0.576 -5.877 1.00 0.00 O ATOM 478 CB PHE A 75 1.591 -1.871 -4.823 1.00 0.00 C ATOM 479 CG PHE A 75 1.158 -1.458 -3.406 1.00 0.00 C ATOM 480 CD1 PHE A 75 1.774 -0.387 -2.749 1.00 0.00 C ATOM 481 CD2 PHE A 75 0.159 -2.156 -2.716 1.00 0.00 C ATOM 482 CE1 PHE A 75 1.404 -0.025 -1.465 1.00 0.00 C ATOM 483 CE2 PHE A 75 -0.206 -1.793 -1.430 1.00 0.00 C ATOM 484 CZ PHE A 75 0.419 -0.734 -0.803 1.00 0.00 C ATOM 0 H PHE A 75 0.237 0.761 -5.361 1.00 0.00 H new ATOM 0 HA PHE A 75 1.332 -1.478 -6.915 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.428 -2.943 -4.935 1.00 0.00 H new ATOM 0 HB3 PHE A 75 2.663 -1.700 -4.920 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.552 0.167 -3.253 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.334 -2.990 -3.194 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.885 0.812 -0.980 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.982 -2.340 -0.916 1.00 0.00 H new ATOM 0 HZ PHE A 75 0.139 -0.460 0.203 1.00 0.00 H new ATOM 494 N ARG A 76 -0.976 -2.736 -6.259 1.00 0.00 N ATOM 495 CA ARG A 76 -2.373 -3.179 -6.128 1.00 0.00 C ATOM 496 C ARG A 76 -2.501 -4.163 -4.949 1.00 0.00 C ATOM 497 O ARG A 76 -1.926 -5.259 -4.949 1.00 0.00 O ATOM 498 CB ARG A 76 -2.937 -3.738 -7.468 1.00 0.00 C ATOM 499 CG ARG A 76 -2.329 -5.051 -8.000 1.00 0.00 C ATOM 500 CD ARG A 76 -2.762 -5.350 -9.452 1.00 0.00 C ATOM 501 NE ARG A 76 -4.216 -5.185 -9.664 1.00 0.00 N ATOM 502 CZ ARG A 76 -4.811 -5.013 -10.858 1.00 0.00 C ATOM 503 NH1 ARG A 76 -4.120 -5.103 -11.992 1.00 0.00 N ATOM 504 NH2 ARG A 76 -6.111 -4.763 -10.914 1.00 0.00 N ATOM 0 H ARG A 76 -0.324 -3.470 -6.536 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.998 -2.316 -5.900 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.010 -3.889 -7.345 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.808 -2.973 -8.233 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.242 -4.991 -7.952 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.631 -5.876 -7.356 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.224 -4.688 -10.130 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.476 -6.370 -9.708 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.816 -5.203 -8.839 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.121 -5.306 -11.966 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.590 -4.969 -12.887 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.656 -4.702 -10.054 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.567 -4.632 -11.817 1.00 0.00 H new ATOM 518 N LEU A 77 -3.198 -3.692 -3.914 1.00 0.00 N ATOM 519 CA LEU A 77 -3.541 -4.467 -2.726 1.00 0.00 C ATOM 520 C LEU A 77 -4.718 -5.400 -3.059 1.00 0.00 C ATOM 521 O LEU A 77 -5.695 -4.962 -3.674 1.00 0.00 O ATOM 522 CB LEU A 77 -3.947 -3.500 -1.581 1.00 0.00 C ATOM 523 CG LEU A 77 -4.117 -4.144 -0.172 1.00 0.00 C ATOM 524 CD1 LEU A 77 -2.756 -4.584 0.381 1.00 0.00 C ATOM 525 CD2 LEU A 77 -4.832 -3.184 0.803 1.00 0.00 C ATOM 0 H LEU A 77 -3.548 -2.735 -3.880 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.683 -5.060 -2.408 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.194 -2.715 -1.511 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.886 -3.019 -1.854 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.747 -5.027 -0.276 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.891 -5.032 1.366 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.309 -5.315 -0.292 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.099 -3.718 0.463 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.935 -3.664 1.776 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.247 -2.270 0.909 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.820 -2.939 0.413 1.00 0.00 H new ATOM 537 N GLU A 78 -4.616 -6.671 -2.662 1.00 0.00 N ATOM 538 CA GLU A 78 -5.670 -7.663 -2.914 1.00 0.00 C ATOM 539 C GLU A 78 -6.746 -7.583 -1.819 1.00 0.00 C ATOM 540 O GLU A 78 -6.423 -7.678 -0.620 1.00 0.00 O ATOM 541 CB GLU A 78 -5.065 -9.083 -2.984 1.00 0.00 C ATOM 542 CG GLU A 78 -3.966 -9.257 -4.052 1.00 0.00 C ATOM 543 CD GLU A 78 -3.485 -10.713 -4.167 1.00 0.00 C ATOM 544 OE1 GLU A 78 -2.821 -11.197 -3.229 1.00 0.00 O ATOM 545 OE2 GLU A 78 -3.786 -11.382 -5.181 1.00 0.00 O ATOM 0 H GLU A 78 -3.809 -7.041 -2.161 1.00 0.00 H new ATOM 0 HA GLU A 78 -6.138 -7.444 -3.874 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.650 -9.336 -2.009 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.865 -9.796 -3.184 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.347 -8.926 -5.018 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.119 -8.616 -3.806 1.00 0.00 H new ATOM 552 N ASP A 79 -8.011 -7.382 -2.237 1.00 0.00 N ATOM 553 CA ASP A 79 -9.166 -7.402 -1.328 1.00 0.00 C ATOM 554 C ASP A 79 -9.356 -8.805 -0.727 1.00 0.00 C ATOM 555 O ASP A 79 -9.783 -9.738 -1.419 1.00 0.00 O ATOM 556 CB ASP A 79 -10.464 -6.973 -2.064 1.00 0.00 C ATOM 557 CG ASP A 79 -10.504 -5.485 -2.437 1.00 0.00 C ATOM 558 OD1 ASP A 79 -9.970 -5.113 -3.494 1.00 0.00 O ATOM 559 OD2 ASP A 79 -11.099 -4.683 -1.684 1.00 0.00 O ATOM 0 H ASP A 79 -8.257 -7.202 -3.210 1.00 0.00 H new ATOM 0 HA ASP A 79 -8.967 -6.691 -0.526 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -10.569 -7.568 -2.971 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -11.321 -7.202 -1.431 1.00 0.00 H new ATOM 564 N LYS A 80 -8.995 -8.950 0.552 1.00 0.00 N ATOM 565 CA LYS A 80 -9.302 -10.155 1.332 1.00 0.00 C ATOM 566 C LYS A 80 -10.768 -10.133 1.792 1.00 0.00 C ATOM 567 O LYS A 80 -11.356 -11.190 2.047 1.00 0.00 O ATOM 568 CB LYS A 80 -8.344 -10.281 2.540 1.00 0.00 C ATOM 569 CG LYS A 80 -6.865 -10.495 2.139 1.00 0.00 C ATOM 570 CD LYS A 80 -5.987 -10.944 3.326 1.00 0.00 C ATOM 571 CE LYS A 80 -4.548 -11.281 2.891 1.00 0.00 C ATOM 572 NZ LYS A 80 -3.768 -11.924 3.968 1.00 0.00 N ATOM 0 H LYS A 80 -8.484 -8.239 1.075 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.157 -11.028 0.696 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.420 -9.380 3.149 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -8.667 -11.115 3.163 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.811 -11.244 1.349 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -6.466 -9.568 1.727 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.962 -10.154 4.077 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -6.436 -11.818 3.798 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.579 -11.942 2.025 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -4.043 -10.367 2.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.767 -11.655 3.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -4.130 -11.613 4.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.857 -12.957 3.892 1.00 0.00 H new ATOM 586 N ASP A 81 -11.346 -8.913 1.887 1.00 0.00 N ATOM 587 CA ASP A 81 -12.780 -8.716 2.186 1.00 0.00 C ATOM 588 C ASP A 81 -13.662 -9.312 1.074 1.00 0.00 C ATOM 589 O ASP A 81 -14.767 -9.798 1.341 1.00 0.00 O ATOM 590 CB ASP A 81 -13.101 -7.209 2.365 1.00 0.00 C ATOM 591 CG ASP A 81 -12.405 -6.596 3.589 1.00 0.00 C ATOM 592 OD1 ASP A 81 -12.769 -6.956 4.730 1.00 0.00 O ATOM 593 OD2 ASP A 81 -11.482 -5.772 3.423 1.00 0.00 O ATOM 0 H ASP A 81 -10.832 -8.042 1.759 1.00 0.00 H new ATOM 0 HA ASP A 81 -12.999 -9.236 3.119 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.795 -6.668 1.470 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -14.179 -7.080 2.463 1.00 0.00 H new ATOM 598 N ASN A 82 -13.158 -9.264 -0.173 1.00 0.00 N ATOM 599 CA ASN A 82 -13.858 -9.803 -1.351 1.00 0.00 C ATOM 600 C ASN A 82 -12.836 -10.126 -2.458 1.00 0.00 C ATOM 601 O ASN A 82 -12.388 -9.244 -3.194 1.00 0.00 O ATOM 602 CB ASN A 82 -14.990 -8.843 -1.843 1.00 0.00 C ATOM 603 CG ASN A 82 -14.540 -7.425 -2.247 1.00 0.00 C ATOM 604 OD1 ASN A 82 -13.725 -6.772 -1.425 1.00 0.00 O flip ATOM 605 ND2 ASN A 82 -14.977 -6.896 -3.272 1.00 0.00 N flip ATOM 0 H ASN A 82 -12.252 -8.849 -0.391 1.00 0.00 H new ATOM 0 HA ASN A 82 -14.357 -10.730 -1.070 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -15.485 -9.304 -2.698 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -15.735 -8.756 -1.052 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -15.601 -7.417 -3.888 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -14.714 -5.938 -3.503 1.00 0.00 H new ATOM 612 N THR A 83 -12.433 -11.412 -2.531 1.00 0.00 N ATOM 613 CA THR A 83 -11.402 -11.885 -3.470 1.00 0.00 C ATOM 614 C THR A 83 -11.997 -12.123 -4.883 1.00 0.00 C ATOM 615 O THR A 83 -12.222 -13.254 -5.330 1.00 0.00 O ATOM 616 CB THR A 83 -10.676 -13.156 -2.899 1.00 0.00 C ATOM 617 OG1 THR A 83 -10.239 -12.875 -1.554 1.00 0.00 O ATOM 618 CG2 THR A 83 -9.454 -13.574 -3.748 1.00 0.00 C ATOM 0 H THR A 83 -12.815 -12.149 -1.939 1.00 0.00 H new ATOM 0 HA THR A 83 -10.647 -11.106 -3.580 1.00 0.00 H new ATOM 0 HB THR A 83 -11.387 -13.982 -2.922 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.081 -11.913 -1.456 1.00 0.00 H new ATOM 0 HG21 THR A 83 -8.990 -14.457 -3.308 1.00 0.00 H new ATOM 0 HG22 THR A 83 -9.777 -13.802 -4.764 1.00 0.00 H new ATOM 0 HG23 THR A 83 -8.731 -12.758 -3.772 1.00 0.00 H new ATOM 626 N SER A 84 -12.332 -10.992 -5.521 1.00 0.00 N ATOM 627 CA SER A 84 -12.701 -10.891 -6.938 1.00 0.00 C ATOM 628 C SER A 84 -12.224 -9.529 -7.488 1.00 0.00 C ATOM 629 O SER A 84 -12.439 -9.211 -8.656 1.00 0.00 O ATOM 630 CB SER A 84 -14.240 -11.027 -7.111 1.00 0.00 C ATOM 631 OG SER A 84 -14.718 -12.240 -6.546 1.00 0.00 O ATOM 0 H SER A 84 -12.354 -10.090 -5.045 1.00 0.00 H new ATOM 0 HA SER A 84 -12.223 -11.699 -7.492 1.00 0.00 H new ATOM 0 HB2 SER A 84 -14.738 -10.181 -6.636 1.00 0.00 H new ATOM 0 HB3 SER A 84 -14.493 -10.992 -8.171 1.00 0.00 H new ATOM 0 HG SER A 84 -15.689 -12.298 -6.668 1.00 0.00 H new ATOM 637 N LYS A 85 -11.545 -8.745 -6.620 1.00 0.00 N ATOM 638 CA LYS A 85 -11.194 -7.330 -6.867 1.00 0.00 C ATOM 639 C LYS A 85 -9.839 -7.011 -6.213 1.00 0.00 C ATOM 640 O LYS A 85 -9.392 -7.722 -5.302 1.00 0.00 O ATOM 641 CB LYS A 85 -12.280 -6.369 -6.287 1.00 0.00 C ATOM 642 CG LYS A 85 -13.676 -6.451 -6.956 1.00 0.00 C ATOM 643 CD LYS A 85 -14.701 -5.477 -6.320 1.00 0.00 C ATOM 644 CE LYS A 85 -14.338 -3.997 -6.529 1.00 0.00 C ATOM 645 NZ LYS A 85 -15.187 -3.089 -5.720 1.00 0.00 N ATOM 0 H LYS A 85 -11.221 -9.084 -5.714 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.136 -7.180 -7.945 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -12.394 -6.579 -5.224 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -11.916 -5.345 -6.372 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -13.579 -6.228 -8.018 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -14.053 -7.471 -6.878 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -15.686 -5.667 -6.746 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -14.771 -5.680 -5.251 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -13.291 -3.842 -6.267 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -14.443 -3.745 -7.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -14.905 -2.103 -5.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -16.184 -3.216 -5.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -15.068 -3.310 -4.711 1.00 0.00 H new ATOM 659 N THR A 86 -9.196 -5.930 -6.686 1.00 0.00 N ATOM 660 CA THR A 86 -7.963 -5.376 -6.099 1.00 0.00 C ATOM 661 C THR A 86 -8.068 -3.846 -6.066 1.00 0.00 C ATOM 662 O THR A 86 -8.573 -3.236 -7.013 1.00 0.00 O ATOM 663 CB THR A 86 -6.682 -5.790 -6.902 1.00 0.00 C ATOM 664 OG1 THR A 86 -6.848 -5.460 -8.283 1.00 0.00 O ATOM 665 CG2 THR A 86 -6.373 -7.292 -6.776 1.00 0.00 C ATOM 0 H THR A 86 -9.523 -5.408 -7.499 1.00 0.00 H new ATOM 0 HA THR A 86 -7.863 -5.781 -5.092 1.00 0.00 H new ATOM 0 HB THR A 86 -5.843 -5.239 -6.476 1.00 0.00 H new ATOM 0 HG1 THR A 86 -6.505 -6.191 -8.838 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.477 -7.529 -7.350 1.00 0.00 H new ATOM 0 HG22 THR A 86 -6.210 -7.543 -5.728 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.213 -7.870 -7.161 1.00 0.00 H new ATOM 673 N VAL A 87 -7.608 -3.234 -4.964 1.00 0.00 N ATOM 674 CA VAL A 87 -7.541 -1.768 -4.829 1.00 0.00 C ATOM 675 C VAL A 87 -6.105 -1.331 -5.100 1.00 0.00 C ATOM 676 O VAL A 87 -5.179 -1.912 -4.552 1.00 0.00 O ATOM 677 CB VAL A 87 -7.944 -1.276 -3.379 1.00 0.00 C ATOM 678 CG1 VAL A 87 -7.956 0.279 -3.269 1.00 0.00 C ATOM 679 CG2 VAL A 87 -9.301 -1.860 -2.945 1.00 0.00 C ATOM 0 H VAL A 87 -7.273 -3.738 -4.143 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.245 -1.332 -5.538 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.178 -1.647 -2.699 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -8.238 0.570 -2.257 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -6.963 0.667 -3.495 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -8.676 0.688 -3.978 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -9.548 -1.503 -1.945 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -10.074 -1.543 -3.645 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.243 -2.948 -2.937 1.00 0.00 H new ATOM 689 N TRP A 88 -5.924 -0.300 -5.919 1.00 0.00 N ATOM 690 CA TRP A 88 -4.613 0.307 -6.160 1.00 0.00 C ATOM 691 C TRP A 88 -4.350 1.294 -5.026 1.00 0.00 C ATOM 692 O TRP A 88 -5.245 2.033 -4.640 1.00 0.00 O ATOM 693 CB TRP A 88 -4.580 1.021 -7.528 1.00 0.00 C ATOM 694 CG TRP A 88 -4.596 0.071 -8.705 1.00 0.00 C ATOM 695 CD1 TRP A 88 -5.684 -0.470 -9.325 1.00 0.00 C ATOM 696 CD2 TRP A 88 -3.449 -0.467 -9.374 1.00 0.00 C ATOM 697 NE1 TRP A 88 -5.281 -1.278 -10.360 1.00 0.00 N ATOM 698 CE2 TRP A 88 -3.915 -1.291 -10.410 1.00 0.00 C ATOM 699 CE3 TRP A 88 -2.070 -0.300 -9.212 1.00 0.00 C ATOM 700 CZ2 TRP A 88 -3.054 -1.967 -11.265 1.00 0.00 C ATOM 701 CZ3 TRP A 88 -1.217 -0.972 -10.058 1.00 0.00 C ATOM 702 CH2 TRP A 88 -1.711 -1.795 -11.079 1.00 0.00 C ATOM 0 H TRP A 88 -6.683 0.142 -6.438 1.00 0.00 H new ATOM 0 HA TRP A 88 -3.839 -0.460 -6.183 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -5.437 1.691 -7.600 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -3.685 1.641 -7.584 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -6.711 -0.290 -9.044 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -5.901 -1.787 -10.990 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -1.681 0.344 -8.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -3.432 -2.606 -12.049 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -0.150 -0.863 -9.933 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -1.017 -2.303 -11.732 1.00 0.00 H new ATOM 713 N VAL A 89 -3.145 1.268 -4.474 1.00 0.00 N ATOM 714 CA VAL A 89 -2.780 2.073 -3.317 1.00 0.00 C ATOM 715 C VAL A 89 -1.585 2.962 -3.670 1.00 0.00 C ATOM 716 O VAL A 89 -0.499 2.466 -3.987 1.00 0.00 O ATOM 717 CB VAL A 89 -2.450 1.169 -2.080 1.00 0.00 C ATOM 718 CG1 VAL A 89 -2.085 2.028 -0.843 1.00 0.00 C ATOM 719 CG2 VAL A 89 -3.629 0.208 -1.767 1.00 0.00 C ATOM 0 H VAL A 89 -2.386 0.682 -4.820 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.628 2.702 -3.047 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.580 0.562 -2.330 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.861 1.375 0.000 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.212 2.640 -1.070 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.925 2.674 -0.588 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.376 -0.409 -0.905 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.524 0.790 -1.547 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.815 -0.432 -2.629 1.00 0.00 H new ATOM 729 N LEU A 90 -1.824 4.275 -3.635 1.00 0.00 N ATOM 730 CA LEU A 90 -0.793 5.288 -3.827 1.00 0.00 C ATOM 731 C LEU A 90 -0.256 5.698 -2.438 1.00 0.00 C ATOM 732 O LEU A 90 -0.838 6.545 -1.747 1.00 0.00 O ATOM 733 CB LEU A 90 -1.381 6.506 -4.601 1.00 0.00 C ATOM 734 CG LEU A 90 -0.378 7.655 -4.944 1.00 0.00 C ATOM 735 CD1 LEU A 90 0.811 7.145 -5.803 1.00 0.00 C ATOM 736 CD2 LEU A 90 -1.112 8.829 -5.634 1.00 0.00 C ATOM 0 H LEU A 90 -2.752 4.666 -3.470 1.00 0.00 H new ATOM 0 HA LEU A 90 0.030 4.895 -4.424 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.817 6.143 -5.532 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.195 6.927 -4.011 1.00 0.00 H new ATOM 0 HG LEU A 90 0.043 8.021 -4.007 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.485 7.974 -6.020 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.350 6.372 -5.255 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.433 6.731 -6.738 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.398 9.619 -5.865 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.575 8.477 -6.556 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -1.881 9.219 -4.968 1.00 0.00 H new ATOM 748 N TYR A 91 0.832 5.037 -2.032 1.00 0.00 N ATOM 749 CA TYR A 91 1.497 5.289 -0.747 1.00 0.00 C ATOM 750 C TYR A 91 2.497 6.455 -0.885 1.00 0.00 C ATOM 751 O TYR A 91 3.525 6.326 -1.569 1.00 0.00 O ATOM 752 CB TYR A 91 2.212 4.008 -0.220 1.00 0.00 C ATOM 753 CG TYR A 91 3.123 4.264 1.000 1.00 0.00 C ATOM 754 CD1 TYR A 91 2.626 4.872 2.160 1.00 0.00 C ATOM 755 CD2 TYR A 91 4.479 3.923 0.988 1.00 0.00 C ATOM 756 CE1 TYR A 91 3.443 5.125 3.242 1.00 0.00 C ATOM 757 CE2 TYR A 91 5.291 4.171 2.073 1.00 0.00 C ATOM 758 CZ TYR A 91 4.770 4.773 3.195 1.00 0.00 C ATOM 759 OH TYR A 91 5.582 5.009 4.283 1.00 0.00 O ATOM 0 H TYR A 91 1.280 4.308 -2.587 1.00 0.00 H new ATOM 0 HA TYR A 91 0.735 5.565 -0.018 1.00 0.00 H new ATOM 0 HB2 TYR A 91 1.459 3.267 0.049 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.809 3.579 -1.025 1.00 0.00 H new ATOM 0 HD1 TYR A 91 1.583 5.148 2.208 1.00 0.00 H new ATOM 0 HD2 TYR A 91 4.899 3.455 0.110 1.00 0.00 H new ATOM 0 HE1 TYR A 91 3.040 5.599 4.125 1.00 0.00 H new ATOM 0 HE2 TYR A 91 6.334 3.893 2.043 1.00 0.00 H new ATOM 0 HH TYR A 91 6.501 4.744 4.069 1.00 0.00 H new ATOM 769 N LYS A 92 2.163 7.593 -0.262 1.00 0.00 N ATOM 770 CA LYS A 92 3.067 8.744 -0.123 1.00 0.00 C ATOM 771 C LYS A 92 3.793 8.667 1.232 1.00 0.00 C ATOM 772 O LYS A 92 3.170 8.831 2.295 1.00 0.00 O ATOM 773 CB LYS A 92 2.244 10.052 -0.243 1.00 0.00 C ATOM 774 CG LYS A 92 1.566 10.229 -1.619 1.00 0.00 C ATOM 775 CD LYS A 92 0.660 11.475 -1.690 1.00 0.00 C ATOM 776 CE LYS A 92 0.137 11.740 -3.110 1.00 0.00 C ATOM 777 NZ LYS A 92 1.222 12.153 -4.036 1.00 0.00 N ATOM 0 H LYS A 92 1.248 7.743 0.164 1.00 0.00 H new ATOM 0 HA LYS A 92 3.818 8.732 -0.913 1.00 0.00 H new ATOM 0 HB2 LYS A 92 1.480 10.064 0.534 1.00 0.00 H new ATOM 0 HB3 LYS A 92 2.900 10.903 -0.058 1.00 0.00 H new ATOM 0 HG2 LYS A 92 2.334 10.301 -2.389 1.00 0.00 H new ATOM 0 HG3 LYS A 92 0.973 9.342 -1.842 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -0.185 11.346 -1.013 1.00 0.00 H new ATOM 0 HD3 LYS A 92 1.216 12.345 -1.343 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -0.343 10.840 -3.493 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -0.626 12.518 -3.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 0.807 12.499 -4.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 1.783 12.911 -3.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 1.837 11.338 -4.236 1.00 0.00 H new ATOM 791 N GLY A 93 5.104 8.389 1.182 1.00 0.00 N ATOM 792 CA GLY A 93 5.928 8.236 2.378 1.00 0.00 C ATOM 793 C GLY A 93 7.253 7.569 2.058 1.00 0.00 C ATOM 794 O GLY A 93 7.626 7.478 0.890 1.00 0.00 O ATOM 0 H GLY A 93 5.617 8.265 0.309 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.110 9.214 2.824 1.00 0.00 H new ATOM 0 HA3 GLY A 93 5.390 7.643 3.118 1.00 0.00 H new ATOM 798 N ALA A 94 7.965 7.120 3.097 1.00 0.00 N ATOM 799 CA ALA A 94 9.214 6.354 2.954 1.00 0.00 C ATOM 800 C ALA A 94 8.891 4.855 2.868 1.00 0.00 C ATOM 801 O ALA A 94 8.345 4.288 3.820 1.00 0.00 O ATOM 802 CB ALA A 94 10.149 6.648 4.144 1.00 0.00 C ATOM 0 H ALA A 94 7.692 7.277 4.067 1.00 0.00 H new ATOM 0 HA ALA A 94 9.724 6.653 2.038 1.00 0.00 H new ATOM 0 HB1 ALA A 94 11.071 6.078 4.032 1.00 0.00 H new ATOM 0 HB2 ALA A 94 10.381 7.713 4.170 1.00 0.00 H new ATOM 0 HB3 ALA A 94 9.656 6.362 5.073 1.00 0.00 H new ATOM 808 N VAL A 95 9.198 4.227 1.719 1.00 0.00 N ATOM 809 CA VAL A 95 8.983 2.783 1.518 1.00 0.00 C ATOM 810 C VAL A 95 10.127 1.988 2.170 1.00 0.00 C ATOM 811 O VAL A 95 11.294 2.172 1.789 1.00 0.00 O ATOM 812 CB VAL A 95 8.889 2.407 -0.007 1.00 0.00 C ATOM 813 CG1 VAL A 95 8.756 0.877 -0.217 1.00 0.00 C ATOM 814 CG2 VAL A 95 7.721 3.149 -0.673 1.00 0.00 C ATOM 0 H VAL A 95 9.599 4.701 0.910 1.00 0.00 H new ATOM 0 HA VAL A 95 8.033 2.526 1.986 1.00 0.00 H new ATOM 0 HB VAL A 95 9.820 2.720 -0.480 1.00 0.00 H new ATOM 0 HG11 VAL A 95 8.694 0.660 -1.283 1.00 0.00 H new ATOM 0 HG12 VAL A 95 9.626 0.375 0.205 1.00 0.00 H new ATOM 0 HG13 VAL A 95 7.854 0.519 0.279 1.00 0.00 H new ATOM 0 HG21 VAL A 95 7.671 2.877 -1.727 1.00 0.00 H new ATOM 0 HG22 VAL A 95 6.788 2.873 -0.182 1.00 0.00 H new ATOM 0 HG23 VAL A 95 7.874 4.224 -0.583 1.00 0.00 H new ATOM 824 N PRO A 96 9.822 1.114 3.175 1.00 0.00 N ATOM 825 CA PRO A 96 10.849 0.282 3.837 1.00 0.00 C ATOM 826 C PRO A 96 11.320 -0.893 2.948 1.00 0.00 C ATOM 827 O PRO A 96 10.642 -1.276 1.985 1.00 0.00 O ATOM 828 CB PRO A 96 10.113 -0.221 5.098 1.00 0.00 C ATOM 829 CG PRO A 96 8.672 -0.306 4.678 1.00 0.00 C ATOM 830 CD PRO A 96 8.461 0.864 3.745 1.00 0.00 C ATOM 0 HA PRO A 96 11.764 0.833 4.054 1.00 0.00 H new ATOM 0 HB2 PRO A 96 10.492 -1.191 5.419 1.00 0.00 H new ATOM 0 HB3 PRO A 96 10.244 0.465 5.935 1.00 0.00 H new ATOM 0 HG2 PRO A 96 8.463 -1.251 4.177 1.00 0.00 H new ATOM 0 HG3 PRO A 96 8.007 -0.248 5.539 1.00 0.00 H new ATOM 0 HD2 PRO A 96 7.737 0.628 2.965 1.00 0.00 H new ATOM 0 HD3 PRO A 96 8.083 1.737 4.277 1.00 0.00 H new ATOM 838 N ASP A 97 12.485 -1.460 3.310 1.00 0.00 N ATOM 839 CA ASP A 97 13.072 -2.649 2.640 1.00 0.00 C ATOM 840 C ASP A 97 12.189 -3.892 2.840 1.00 0.00 C ATOM 841 O ASP A 97 12.261 -4.846 2.062 1.00 0.00 O ATOM 842 CB ASP A 97 14.498 -2.937 3.182 1.00 0.00 C ATOM 843 CG ASP A 97 15.498 -1.814 2.873 1.00 0.00 C ATOM 844 OD1 ASP A 97 15.523 -0.806 3.606 1.00 0.00 O ATOM 845 OD2 ASP A 97 16.255 -1.926 1.885 1.00 0.00 O ATOM 0 H ASP A 97 13.054 -1.108 4.080 1.00 0.00 H new ATOM 0 HA ASP A 97 13.130 -2.427 1.574 1.00 0.00 H new ATOM 0 HB2 ASP A 97 14.447 -3.084 4.261 1.00 0.00 H new ATOM 0 HB3 ASP A 97 14.863 -3.869 2.751 1.00 0.00 H new ATOM 850 N THR A 98 11.368 -3.849 3.903 1.00 0.00 N ATOM 851 CA THR A 98 10.429 -4.917 4.277 1.00 0.00 C ATOM 852 C THR A 98 9.278 -5.071 3.245 1.00 0.00 C ATOM 853 O THR A 98 8.636 -6.124 3.165 1.00 0.00 O ATOM 854 CB THR A 98 9.852 -4.608 5.691 1.00 0.00 C ATOM 855 OG1 THR A 98 9.218 -3.320 5.688 1.00 0.00 O ATOM 856 CG2 THR A 98 10.941 -4.621 6.782 1.00 0.00 C ATOM 0 H THR A 98 11.339 -3.052 4.539 1.00 0.00 H new ATOM 0 HA THR A 98 10.971 -5.863 4.290 1.00 0.00 H new ATOM 0 HB THR A 98 9.131 -5.392 5.920 1.00 0.00 H new ATOM 0 HG1 THR A 98 8.304 -3.405 6.031 1.00 0.00 H new ATOM 0 HG21 THR A 98 10.490 -4.400 7.749 1.00 0.00 H new ATOM 0 HG22 THR A 98 11.410 -5.604 6.816 1.00 0.00 H new ATOM 0 HG23 THR A 98 11.695 -3.867 6.553 1.00 0.00 H new ATOM 864 N PHE A 99 9.050 -4.004 2.466 1.00 0.00 N ATOM 865 CA PHE A 99 8.067 -3.985 1.367 1.00 0.00 C ATOM 866 C PHE A 99 8.670 -4.672 0.124 1.00 0.00 C ATOM 867 O PHE A 99 9.830 -4.421 -0.227 1.00 0.00 O ATOM 868 CB PHE A 99 7.643 -2.526 1.060 1.00 0.00 C ATOM 869 CG PHE A 99 6.704 -2.370 -0.143 1.00 0.00 C ATOM 870 CD1 PHE A 99 5.325 -2.510 -0.007 1.00 0.00 C ATOM 871 CD2 PHE A 99 7.212 -2.084 -1.411 1.00 0.00 C ATOM 872 CE1 PHE A 99 4.490 -2.365 -1.098 1.00 0.00 C ATOM 873 CE2 PHE A 99 6.377 -1.943 -2.493 1.00 0.00 C ATOM 874 CZ PHE A 99 5.016 -2.082 -2.340 1.00 0.00 C ATOM 0 H PHE A 99 9.546 -3.120 2.580 1.00 0.00 H new ATOM 0 HA PHE A 99 7.174 -4.536 1.661 1.00 0.00 H new ATOM 0 HB2 PHE A 99 7.154 -2.111 1.941 1.00 0.00 H new ATOM 0 HB3 PHE A 99 8.539 -1.931 0.883 1.00 0.00 H new ATOM 0 HD1 PHE A 99 4.904 -2.734 0.962 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.278 -1.972 -1.544 1.00 0.00 H new ATOM 0 HE1 PHE A 99 3.422 -2.474 -0.977 1.00 0.00 H new ATOM 0 HE2 PHE A 99 6.790 -1.722 -3.466 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.362 -1.969 -3.192 1.00 0.00 H new ATOM 884 N LYS A 100 7.860 -5.520 -0.539 1.00 0.00 N ATOM 885 CA LYS A 100 8.298 -6.367 -1.672 1.00 0.00 C ATOM 886 C LYS A 100 7.071 -6.907 -2.457 1.00 0.00 C ATOM 887 O LYS A 100 5.947 -6.851 -1.952 1.00 0.00 O ATOM 888 CB LYS A 100 9.151 -7.560 -1.129 1.00 0.00 C ATOM 889 CG LYS A 100 8.480 -8.326 0.035 1.00 0.00 C ATOM 890 CD LYS A 100 9.294 -9.534 0.551 1.00 0.00 C ATOM 891 CE LYS A 100 8.771 -10.043 1.910 1.00 0.00 C ATOM 892 NZ LYS A 100 9.009 -9.056 3.009 1.00 0.00 N ATOM 0 H LYS A 100 6.875 -5.639 -0.303 1.00 0.00 H new ATOM 0 HA LYS A 100 8.902 -5.765 -2.351 1.00 0.00 H new ATOM 0 HB2 LYS A 100 9.347 -8.256 -1.945 1.00 0.00 H new ATOM 0 HB3 LYS A 100 10.117 -7.182 -0.794 1.00 0.00 H new ATOM 0 HG2 LYS A 100 8.313 -7.635 0.861 1.00 0.00 H new ATOM 0 HG3 LYS A 100 7.500 -8.675 -0.292 1.00 0.00 H new ATOM 0 HD2 LYS A 100 9.249 -10.341 -0.180 1.00 0.00 H new ATOM 0 HD3 LYS A 100 10.342 -9.250 0.649 1.00 0.00 H new ATOM 0 HE2 LYS A 100 7.703 -10.249 1.833 1.00 0.00 H new ATOM 0 HE3 LYS A 100 9.261 -10.985 2.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 8.768 -9.489 3.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 10.010 -8.775 3.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 8.414 -8.216 2.856 1.00 0.00 H new ATOM 906 N PRO A 101 7.254 -7.398 -3.726 1.00 0.00 N ATOM 907 CA PRO A 101 6.236 -8.232 -4.411 1.00 0.00 C ATOM 908 C PRO A 101 6.039 -9.564 -3.665 1.00 0.00 C ATOM 909 O PRO A 101 6.865 -10.479 -3.770 1.00 0.00 O ATOM 910 CB PRO A 101 6.820 -8.430 -5.840 1.00 0.00 C ATOM 911 CG PRO A 101 8.295 -8.195 -5.684 1.00 0.00 C ATOM 912 CD PRO A 101 8.416 -7.125 -4.622 1.00 0.00 C ATOM 0 HA PRO A 101 5.247 -7.776 -4.441 1.00 0.00 H new ATOM 0 HB2 PRO A 101 6.616 -9.433 -6.216 1.00 0.00 H new ATOM 0 HB3 PRO A 101 6.380 -7.728 -6.549 1.00 0.00 H new ATOM 0 HG2 PRO A 101 8.810 -9.108 -5.384 1.00 0.00 H new ATOM 0 HG3 PRO A 101 8.744 -7.870 -6.623 1.00 0.00 H new ATOM 0 HD2 PRO A 101 9.363 -7.195 -4.086 1.00 0.00 H new ATOM 0 HD3 PRO A 101 8.366 -6.124 -5.052 1.00 0.00 H new ATOM 920 N GLY A 102 4.953 -9.645 -2.887 1.00 0.00 N ATOM 921 CA GLY A 102 4.712 -10.775 -1.995 1.00 0.00 C ATOM 922 C GLY A 102 4.995 -10.404 -0.552 1.00 0.00 C ATOM 923 O GLY A 102 5.886 -10.969 0.092 1.00 0.00 O ATOM 0 H GLY A 102 4.224 -8.932 -2.861 1.00 0.00 H new ATOM 0 HA2 GLY A 102 3.678 -11.105 -2.092 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.343 -11.614 -2.288 1.00 0.00 H new ATOM 927 N VAL A 103 4.216 -9.433 -0.054 1.00 0.00 N ATOM 928 CA VAL A 103 4.326 -8.954 1.337 1.00 0.00 C ATOM 929 C VAL A 103 2.929 -8.750 1.942 1.00 0.00 C ATOM 930 O VAL A 103 2.058 -8.142 1.307 1.00 0.00 O ATOM 931 CB VAL A 103 5.214 -7.650 1.482 1.00 0.00 C ATOM 932 CG1 VAL A 103 4.588 -6.421 0.811 1.00 0.00 C ATOM 933 CG2 VAL A 103 5.548 -7.354 2.958 1.00 0.00 C ATOM 0 H VAL A 103 3.495 -8.958 -0.598 1.00 0.00 H new ATOM 0 HA VAL A 103 4.846 -9.729 1.899 1.00 0.00 H new ATOM 0 HB VAL A 103 6.143 -7.860 0.953 1.00 0.00 H new ATOM 0 HG11 VAL A 103 5.243 -5.560 0.945 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.457 -6.615 -0.254 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.619 -6.213 1.264 1.00 0.00 H new ATOM 0 HG21 VAL A 103 6.158 -6.453 3.019 1.00 0.00 H new ATOM 0 HG22 VAL A 103 4.624 -7.206 3.517 1.00 0.00 H new ATOM 0 HG23 VAL A 103 6.098 -8.194 3.382 1.00 0.00 H new ATOM 943 N GLU A 104 2.704 -9.299 3.146 1.00 0.00 N ATOM 944 CA GLU A 104 1.544 -8.929 3.970 1.00 0.00 C ATOM 945 C GLU A 104 1.767 -7.498 4.463 1.00 0.00 C ATOM 946 O GLU A 104 2.867 -7.174 4.923 1.00 0.00 O ATOM 947 CB GLU A 104 1.387 -9.881 5.186 1.00 0.00 C ATOM 948 CG GLU A 104 1.173 -11.359 4.824 1.00 0.00 C ATOM 949 CD GLU A 104 -0.058 -11.589 3.934 1.00 0.00 C ATOM 950 OE1 GLU A 104 -1.170 -11.196 4.340 1.00 0.00 O ATOM 951 OE2 GLU A 104 0.073 -12.163 2.832 1.00 0.00 O ATOM 0 H GLU A 104 3.311 -10.001 3.570 1.00 0.00 H new ATOM 0 HA GLU A 104 0.634 -9.006 3.375 1.00 0.00 H new ATOM 0 HB2 GLU A 104 2.277 -9.800 5.810 1.00 0.00 H new ATOM 0 HB3 GLU A 104 0.543 -9.543 5.788 1.00 0.00 H new ATOM 0 HG2 GLU A 104 2.059 -11.734 4.312 1.00 0.00 H new ATOM 0 HG3 GLU A 104 1.065 -11.939 5.740 1.00 0.00 H new ATOM 958 N VAL A 105 0.745 -6.642 4.341 1.00 0.00 N ATOM 959 CA VAL A 105 0.829 -5.220 4.750 1.00 0.00 C ATOM 960 C VAL A 105 -0.453 -4.770 5.448 1.00 0.00 C ATOM 961 O VAL A 105 -1.531 -5.366 5.295 1.00 0.00 O ATOM 962 CB VAL A 105 1.113 -4.231 3.549 1.00 0.00 C ATOM 963 CG1 VAL A 105 2.551 -4.375 3.010 1.00 0.00 C ATOM 964 CG2 VAL A 105 0.074 -4.411 2.420 1.00 0.00 C ATOM 0 H VAL A 105 -0.163 -6.906 3.959 1.00 0.00 H new ATOM 0 HA VAL A 105 1.676 -5.173 5.434 1.00 0.00 H new ATOM 0 HB VAL A 105 1.016 -3.218 3.938 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.702 -3.677 2.186 1.00 0.00 H new ATOM 0 HG12 VAL A 105 3.262 -4.156 3.807 1.00 0.00 H new ATOM 0 HG13 VAL A 105 2.706 -5.394 2.656 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.295 -3.718 1.608 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.117 -5.434 2.046 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -0.924 -4.208 2.808 1.00 0.00 H new ATOM 974 N ILE A 106 -0.287 -3.687 6.204 1.00 0.00 N ATOM 975 CA ILE A 106 -1.351 -2.960 6.883 1.00 0.00 C ATOM 976 C ILE A 106 -1.141 -1.475 6.547 1.00 0.00 C ATOM 977 O ILE A 106 -0.186 -0.852 7.035 1.00 0.00 O ATOM 978 CB ILE A 106 -1.297 -3.172 8.443 1.00 0.00 C ATOM 979 CG1 ILE A 106 -1.293 -4.697 8.803 1.00 0.00 C ATOM 980 CG2 ILE A 106 -2.468 -2.432 9.130 1.00 0.00 C ATOM 981 CD1 ILE A 106 -1.107 -5.022 10.278 1.00 0.00 C ATOM 0 H ILE A 106 0.633 -3.277 6.365 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.326 -3.319 6.553 1.00 0.00 H new ATOM 0 HB ILE A 106 -0.365 -2.747 8.816 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -2.234 -5.134 8.469 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.497 -5.184 8.239 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -2.416 -2.589 10.207 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -2.401 -1.366 8.915 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -3.414 -2.819 8.753 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.120 -6.103 10.417 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.152 -4.623 10.621 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -1.916 -4.573 10.854 1.00 0.00 H new ATOM 993 N ILE A 107 -1.997 -0.930 5.679 1.00 0.00 N ATOM 994 CA ILE A 107 -1.910 0.473 5.229 1.00 0.00 C ATOM 995 C ILE A 107 -2.934 1.334 5.984 1.00 0.00 C ATOM 996 O ILE A 107 -3.897 0.813 6.571 1.00 0.00 O ATOM 997 CB ILE A 107 -2.146 0.596 3.676 1.00 0.00 C ATOM 998 CG1 ILE A 107 -3.582 0.112 3.286 1.00 0.00 C ATOM 999 CG2 ILE A 107 -1.068 -0.186 2.888 1.00 0.00 C ATOM 1000 CD1 ILE A 107 -3.925 0.210 1.815 1.00 0.00 C ATOM 0 H ILE A 107 -2.774 -1.445 5.264 1.00 0.00 H new ATOM 0 HA ILE A 107 -0.904 0.832 5.447 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.062 1.649 3.408 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -3.694 -0.926 3.599 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -4.309 0.696 3.851 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -1.254 -0.085 1.819 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -0.082 0.215 3.124 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -1.107 -1.239 3.165 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -4.941 -0.150 1.654 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -3.853 1.249 1.493 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -3.228 -0.398 1.238 1.00 0.00 H new ATOM 1012 N GLU A 108 -2.710 2.651 5.972 1.00 0.00 N ATOM 1013 CA GLU A 108 -3.617 3.628 6.568 1.00 0.00 C ATOM 1014 C GLU A 108 -3.479 4.951 5.823 1.00 0.00 C ATOM 1015 O GLU A 108 -2.372 5.340 5.452 1.00 0.00 O ATOM 1016 CB GLU A 108 -3.291 3.820 8.065 1.00 0.00 C ATOM 1017 CG GLU A 108 -4.261 4.751 8.806 1.00 0.00 C ATOM 1018 CD GLU A 108 -3.921 4.909 10.295 1.00 0.00 C ATOM 1019 OE1 GLU A 108 -4.335 4.054 11.096 1.00 0.00 O ATOM 1020 OE2 GLU A 108 -3.242 5.886 10.671 1.00 0.00 O ATOM 0 H GLU A 108 -1.885 3.070 5.543 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.643 3.269 6.487 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -3.295 2.846 8.554 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.281 4.219 8.157 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -4.250 5.732 8.330 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -5.275 4.362 8.710 1.00 0.00 H new ATOM 1027 N GLY A 109 -4.608 5.626 5.605 1.00 0.00 N ATOM 1028 CA GLY A 109 -4.630 6.934 4.972 1.00 0.00 C ATOM 1029 C GLY A 109 -6.051 7.389 4.757 1.00 0.00 C ATOM 1030 O GLY A 109 -6.744 7.706 5.729 1.00 0.00 O ATOM 0 H GLY A 109 -5.530 5.276 5.864 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -4.101 7.655 5.594 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -4.106 6.892 4.017 1.00 0.00 H new ATOM 1034 N GLY A 110 -6.497 7.401 3.500 1.00 0.00 N ATOM 1035 CA GLY A 110 -7.878 7.724 3.176 1.00 0.00 C ATOM 1036 C GLY A 110 -8.226 7.352 1.748 1.00 0.00 C ATOM 1037 O GLY A 110 -7.356 6.949 0.968 1.00 0.00 O ATOM 0 H GLY A 110 -5.915 7.189 2.690 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -8.544 7.198 3.861 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -8.046 8.791 3.324 1.00 0.00 H new ATOM 1041 N LEU A 111 -9.516 7.446 1.426 1.00 0.00 N ATOM 1042 CA LEU A 111 -10.032 7.258 0.066 1.00 0.00 C ATOM 1043 C LEU A 111 -10.914 8.458 -0.287 1.00 0.00 C ATOM 1044 O LEU A 111 -11.824 8.810 0.475 1.00 0.00 O ATOM 1045 CB LEU A 111 -10.819 5.916 -0.021 1.00 0.00 C ATOM 1046 CG LEU A 111 -11.398 5.534 -1.424 1.00 0.00 C ATOM 1047 CD1 LEU A 111 -10.289 5.457 -2.497 1.00 0.00 C ATOM 1048 CD2 LEU A 111 -12.202 4.210 -1.354 1.00 0.00 C ATOM 0 H LEU A 111 -10.243 7.657 2.110 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.214 7.201 -0.652 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -10.159 5.112 0.306 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -11.645 5.959 0.689 1.00 0.00 H new ATOM 0 HG LEU A 111 -12.083 6.328 -1.721 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -10.730 5.189 -3.457 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -9.796 6.426 -2.581 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -9.557 4.702 -2.210 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -12.593 3.969 -2.343 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -11.549 3.405 -1.016 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -13.030 4.324 -0.655 1.00 0.00 H new ATOM 1060 N ALA A 112 -10.630 9.089 -1.439 1.00 0.00 N ATOM 1061 CA ALA A 112 -11.339 10.291 -1.894 1.00 0.00 C ATOM 1062 C ALA A 112 -12.654 9.892 -2.593 1.00 0.00 C ATOM 1063 O ALA A 112 -12.670 8.907 -3.336 1.00 0.00 O ATOM 1064 CB ALA A 112 -10.434 11.102 -2.840 1.00 0.00 C ATOM 0 H ALA A 112 -9.901 8.777 -2.080 1.00 0.00 H new ATOM 0 HA ALA A 112 -11.586 10.915 -1.035 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -10.964 11.993 -3.175 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -9.527 11.396 -2.312 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -10.169 10.491 -3.703 1.00 0.00 H new ATOM 1070 N PRO A 113 -13.791 10.636 -2.354 1.00 0.00 N ATOM 1071 CA PRO A 113 -15.101 10.318 -2.988 1.00 0.00 C ATOM 1072 C PRO A 113 -15.070 10.515 -4.530 1.00 0.00 C ATOM 1073 O PRO A 113 -14.938 11.645 -5.024 1.00 0.00 O ATOM 1074 CB PRO A 113 -16.082 11.297 -2.286 1.00 0.00 C ATOM 1075 CG PRO A 113 -15.221 12.431 -1.808 1.00 0.00 C ATOM 1076 CD PRO A 113 -13.897 11.811 -1.433 1.00 0.00 C ATOM 0 HA PRO A 113 -15.389 9.274 -2.865 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -16.850 11.648 -2.975 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -16.595 10.813 -1.455 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -15.094 13.182 -2.588 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -15.674 12.933 -0.953 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -13.072 12.509 -1.575 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -13.879 11.505 -0.387 1.00 0.00 H new ATOM 1084 N GLY A 114 -15.173 9.397 -5.271 1.00 0.00 N ATOM 1085 CA GLY A 114 -15.076 9.398 -6.741 1.00 0.00 C ATOM 1086 C GLY A 114 -13.818 8.689 -7.221 1.00 0.00 C ATOM 1087 O GLY A 114 -13.748 8.240 -8.368 1.00 0.00 O ATOM 0 H GLY A 114 -15.325 8.472 -4.870 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -15.954 8.909 -7.164 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -15.077 10.425 -7.105 1.00 0.00 H new ATOM 1091 N GLU A 115 -12.824 8.591 -6.323 1.00 0.00 N ATOM 1092 CA GLU A 115 -11.513 7.990 -6.616 1.00 0.00 C ATOM 1093 C GLU A 115 -11.522 6.479 -6.319 1.00 0.00 C ATOM 1094 O GLU A 115 -12.163 6.036 -5.356 1.00 0.00 O ATOM 1095 CB GLU A 115 -10.412 8.695 -5.777 1.00 0.00 C ATOM 1096 CG GLU A 115 -8.969 8.293 -6.116 1.00 0.00 C ATOM 1097 CD GLU A 115 -8.612 8.516 -7.597 1.00 0.00 C ATOM 1098 OE1 GLU A 115 -8.314 9.667 -7.973 1.00 0.00 O ATOM 1099 OE2 GLU A 115 -8.642 7.546 -8.387 1.00 0.00 O ATOM 0 H GLU A 115 -12.909 8.930 -5.365 1.00 0.00 H new ATOM 0 HA GLU A 115 -11.299 8.125 -7.676 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -10.512 9.772 -5.909 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -10.592 8.485 -4.723 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -8.283 8.866 -5.493 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -8.823 7.242 -5.868 1.00 0.00 H new ATOM 1106 N ASP A 116 -10.801 5.701 -7.141 1.00 0.00 N ATOM 1107 CA ASP A 116 -10.641 4.252 -6.932 1.00 0.00 C ATOM 1108 C ASP A 116 -9.375 3.950 -6.113 1.00 0.00 C ATOM 1109 O ASP A 116 -9.371 3.000 -5.318 1.00 0.00 O ATOM 1110 CB ASP A 116 -10.616 3.484 -8.287 1.00 0.00 C ATOM 1111 CG ASP A 116 -9.453 3.885 -9.212 1.00 0.00 C ATOM 1112 OD1 ASP A 116 -9.557 4.937 -9.867 1.00 0.00 O ATOM 1113 OD2 ASP A 116 -8.432 3.162 -9.275 1.00 0.00 O ATOM 0 H ASP A 116 -10.315 6.055 -7.965 1.00 0.00 H new ATOM 0 HA ASP A 116 -11.505 3.904 -6.366 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -10.555 2.415 -8.086 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -11.558 3.657 -8.808 1.00 0.00 H new ATOM 1118 N THR A 117 -8.299 4.750 -6.307 1.00 0.00 N ATOM 1119 CA THR A 117 -6.997 4.468 -5.665 1.00 0.00 C ATOM 1120 C THR A 117 -6.974 5.000 -4.214 1.00 0.00 C ATOM 1121 O THR A 117 -7.295 6.165 -3.956 1.00 0.00 O ATOM 1122 CB THR A 117 -5.763 4.999 -6.492 1.00 0.00 C ATOM 1123 OG1 THR A 117 -4.530 4.596 -5.862 1.00 0.00 O ATOM 1124 CG2 THR A 117 -5.753 6.524 -6.680 1.00 0.00 C ATOM 0 H THR A 117 -8.308 5.584 -6.895 1.00 0.00 H new ATOM 0 HA THR A 117 -6.893 3.383 -5.641 1.00 0.00 H new ATOM 0 HB THR A 117 -5.857 4.554 -7.483 1.00 0.00 H new ATOM 0 HG1 THR A 117 -4.686 3.794 -5.321 1.00 0.00 H new ATOM 0 HG21 THR A 117 -4.875 6.814 -7.258 1.00 0.00 H new ATOM 0 HG22 THR A 117 -6.654 6.831 -7.211 1.00 0.00 H new ATOM 0 HG23 THR A 117 -5.722 7.011 -5.705 1.00 0.00 H new ATOM 1132 N PHE A 118 -6.637 4.103 -3.272 1.00 0.00 N ATOM 1133 CA PHE A 118 -6.501 4.426 -1.848 1.00 0.00 C ATOM 1134 C PHE A 118 -5.159 5.136 -1.631 1.00 0.00 C ATOM 1135 O PHE A 118 -4.113 4.587 -1.958 1.00 0.00 O ATOM 1136 CB PHE A 118 -6.574 3.129 -0.995 1.00 0.00 C ATOM 1137 CG PHE A 118 -6.565 3.366 0.514 1.00 0.00 C ATOM 1138 CD1 PHE A 118 -5.369 3.440 1.237 1.00 0.00 C ATOM 1139 CD2 PHE A 118 -7.760 3.518 1.212 1.00 0.00 C ATOM 1140 CE1 PHE A 118 -5.373 3.660 2.599 1.00 0.00 C ATOM 1141 CE2 PHE A 118 -7.759 3.736 2.572 1.00 0.00 C ATOM 1142 CZ PHE A 118 -6.568 3.807 3.264 1.00 0.00 C ATOM 0 H PHE A 118 -6.450 3.123 -3.484 1.00 0.00 H new ATOM 0 HA PHE A 118 -7.315 5.081 -1.537 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -7.481 2.585 -1.260 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -5.731 2.489 -1.255 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -4.428 3.323 0.720 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -8.699 3.464 0.681 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -4.441 3.717 3.141 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -8.695 3.852 3.099 1.00 0.00 H new ATOM 0 HZ PHE A 118 -6.574 3.978 4.330 1.00 0.00 H new ATOM 1152 N LYS A 119 -5.192 6.344 -1.082 1.00 0.00 N ATOM 1153 CA LYS A 119 -3.975 7.117 -0.798 1.00 0.00 C ATOM 1154 C LYS A 119 -3.502 6.816 0.637 1.00 0.00 C ATOM 1155 O LYS A 119 -4.105 7.264 1.620 1.00 0.00 O ATOM 1156 CB LYS A 119 -4.231 8.629 -1.052 1.00 0.00 C ATOM 1157 CG LYS A 119 -5.473 9.221 -0.339 1.00 0.00 C ATOM 1158 CD LYS A 119 -5.838 10.636 -0.839 1.00 0.00 C ATOM 1159 CE LYS A 119 -4.706 11.661 -0.644 1.00 0.00 C ATOM 1160 NZ LYS A 119 -5.039 12.966 -1.267 1.00 0.00 N ATOM 0 H LYS A 119 -6.056 6.819 -0.820 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.171 6.822 -1.472 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -3.350 9.188 -0.735 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.339 8.787 -2.125 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -6.324 8.557 -0.492 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -5.286 9.258 0.734 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -6.094 10.585 -1.897 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -6.727 10.982 -0.312 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -4.521 11.802 0.421 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -3.785 11.274 -1.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -4.255 13.633 -1.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -5.191 12.835 -2.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -5.905 13.347 -0.834 1.00 0.00 H new ATOM 1174 N ALA A 120 -2.442 5.996 0.751 1.00 0.00 N ATOM 1175 CA ALA A 120 -1.886 5.588 2.048 1.00 0.00 C ATOM 1176 C ALA A 120 -0.902 6.650 2.566 1.00 0.00 C ATOM 1177 O ALA A 120 0.095 6.969 1.908 1.00 0.00 O ATOM 1178 CB ALA A 120 -1.204 4.211 1.946 1.00 0.00 C ATOM 0 H ALA A 120 -1.951 5.601 -0.051 1.00 0.00 H new ATOM 0 HA ALA A 120 -2.706 5.502 2.761 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -0.801 3.932 2.919 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -1.934 3.466 1.628 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -0.394 4.259 1.218 1.00 0.00 H new ATOM 1184 N ARG A 121 -1.229 7.200 3.733 1.00 0.00 N ATOM 1185 CA ARG A 121 -0.335 8.050 4.524 1.00 0.00 C ATOM 1186 C ARG A 121 0.832 7.206 5.081 1.00 0.00 C ATOM 1187 O ARG A 121 1.993 7.627 5.039 1.00 0.00 O ATOM 1188 CB ARG A 121 -1.150 8.724 5.684 1.00 0.00 C ATOM 1189 CG ARG A 121 -0.339 9.323 6.878 1.00 0.00 C ATOM 1190 CD ARG A 121 0.450 10.624 6.576 1.00 0.00 C ATOM 1191 NE ARG A 121 1.520 10.452 5.571 1.00 0.00 N ATOM 1192 CZ ARG A 121 2.431 11.369 5.231 1.00 0.00 C ATOM 1193 NH1 ARG A 121 2.483 12.552 5.843 1.00 0.00 N ATOM 1194 NH2 ARG A 121 3.289 11.094 4.275 1.00 0.00 N ATOM 0 H ARG A 121 -2.142 7.066 4.167 1.00 0.00 H new ATOM 0 HA ARG A 121 0.085 8.834 3.894 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -1.753 9.523 5.252 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -1.842 7.983 6.085 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -1.030 9.522 7.698 1.00 0.00 H new ATOM 0 HG3 ARG A 121 0.364 8.568 7.230 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -0.245 11.387 6.226 1.00 0.00 H new ATOM 0 HD3 ARG A 121 0.890 10.994 7.502 1.00 0.00 H new ATOM 0 HE ARG A 121 1.568 9.552 5.094 1.00 0.00 H new ATOM 0 HH11 ARG A 121 1.820 12.771 6.586 1.00 0.00 H new ATOM 0 HH12 ARG A 121 3.186 13.238 5.568 1.00 0.00 H new ATOM 0 HH21 ARG A 121 3.254 10.190 3.803 1.00 0.00 H new ATOM 0 HH22 ARG A 121 3.990 11.784 4.005 1.00 0.00 H new ATOM 1208 N THR A 122 0.503 5.997 5.567 1.00 0.00 N ATOM 1209 CA THR A 122 1.441 5.150 6.316 1.00 0.00 C ATOM 1210 C THR A 122 1.360 3.701 5.797 1.00 0.00 C ATOM 1211 O THR A 122 0.276 3.208 5.457 1.00 0.00 O ATOM 1212 CB THR A 122 1.129 5.191 7.857 1.00 0.00 C ATOM 1213 OG1 THR A 122 0.681 6.505 8.223 1.00 0.00 O ATOM 1214 CG2 THR A 122 2.369 4.856 8.707 1.00 0.00 C ATOM 0 H THR A 122 -0.421 5.581 5.451 1.00 0.00 H new ATOM 0 HA THR A 122 2.450 5.533 6.165 1.00 0.00 H new ATOM 0 HB THR A 122 0.359 4.443 8.050 1.00 0.00 H new ATOM 0 HG1 THR A 122 0.485 6.528 9.183 1.00 0.00 H new ATOM 0 HG21 THR A 122 2.107 4.896 9.764 1.00 0.00 H new ATOM 0 HG22 THR A 122 2.721 3.855 8.458 1.00 0.00 H new ATOM 0 HG23 THR A 122 3.158 5.580 8.501 1.00 0.00 H new ATOM 1222 N LEU A 123 2.523 3.049 5.730 1.00 0.00 N ATOM 1223 CA LEU A 123 2.676 1.652 5.296 1.00 0.00 C ATOM 1224 C LEU A 123 3.427 0.883 6.385 1.00 0.00 C ATOM 1225 O LEU A 123 4.612 1.150 6.630 1.00 0.00 O ATOM 1226 CB LEU A 123 3.472 1.588 3.964 1.00 0.00 C ATOM 1227 CG LEU A 123 3.797 0.172 3.383 1.00 0.00 C ATOM 1228 CD1 LEU A 123 2.529 -0.546 2.887 1.00 0.00 C ATOM 1229 CD2 LEU A 123 4.864 0.266 2.267 1.00 0.00 C ATOM 0 H LEU A 123 3.409 3.486 5.982 1.00 0.00 H new ATOM 0 HA LEU A 123 1.694 1.209 5.133 1.00 0.00 H new ATOM 0 HB2 LEU A 123 2.911 2.140 3.210 1.00 0.00 H new ATOM 0 HB3 LEU A 123 4.414 2.116 4.110 1.00 0.00 H new ATOM 0 HG LEU A 123 4.209 -0.430 4.193 1.00 0.00 H new ATOM 0 HD11 LEU A 123 2.797 -1.526 2.491 1.00 0.00 H new ATOM 0 HD12 LEU A 123 1.832 -0.668 3.716 1.00 0.00 H new ATOM 0 HD13 LEU A 123 2.059 0.046 2.102 1.00 0.00 H new ATOM 0 HD21 LEU A 123 5.073 -0.731 1.879 1.00 0.00 H new ATOM 0 HD22 LEU A 123 4.493 0.899 1.461 1.00 0.00 H new ATOM 0 HD23 LEU A 123 5.779 0.696 2.674 1.00 0.00 H new ATOM 1241 N MET A 124 2.733 -0.050 7.040 1.00 0.00 N ATOM 1242 CA MET A 124 3.333 -0.930 8.046 1.00 0.00 C ATOM 1243 C MET A 124 3.191 -2.370 7.552 1.00 0.00 C ATOM 1244 O MET A 124 2.095 -2.935 7.575 1.00 0.00 O ATOM 1245 CB MET A 124 2.662 -0.751 9.434 1.00 0.00 C ATOM 1246 CG MET A 124 3.326 -1.564 10.562 1.00 0.00 C ATOM 1247 SD MET A 124 2.490 -1.405 12.159 1.00 0.00 S ATOM 1248 CE MET A 124 0.924 -2.213 11.834 1.00 0.00 C ATOM 0 H MET A 124 1.738 -0.217 6.888 1.00 0.00 H new ATOM 0 HA MET A 124 4.385 -0.676 8.176 1.00 0.00 H new ATOM 0 HB2 MET A 124 2.682 0.305 9.702 1.00 0.00 H new ATOM 0 HB3 MET A 124 1.614 -1.042 9.359 1.00 0.00 H new ATOM 0 HG2 MET A 124 3.348 -2.616 10.276 1.00 0.00 H new ATOM 0 HG3 MET A 124 4.362 -1.241 10.670 1.00 0.00 H new ATOM 0 HE1 MET A 124 0.301 -2.173 12.728 1.00 0.00 H new ATOM 0 HE2 MET A 124 0.416 -1.705 11.014 1.00 0.00 H new ATOM 0 HE3 MET A 124 1.101 -3.254 11.562 1.00 0.00 H new ATOM 1258 N THR A 125 4.304 -2.954 7.099 1.00 0.00 N ATOM 1259 CA THR A 125 4.325 -4.311 6.563 1.00 0.00 C ATOM 1260 C THR A 125 4.127 -5.316 7.710 1.00 0.00 C ATOM 1261 O THR A 125 4.824 -5.247 8.730 1.00 0.00 O ATOM 1262 CB THR A 125 5.673 -4.590 5.814 1.00 0.00 C ATOM 1263 OG1 THR A 125 6.784 -4.444 6.714 1.00 0.00 O ATOM 1264 CG2 THR A 125 5.873 -3.632 4.613 1.00 0.00 C ATOM 0 H THR A 125 5.215 -2.496 7.095 1.00 0.00 H new ATOM 0 HA THR A 125 3.513 -4.422 5.844 1.00 0.00 H new ATOM 0 HB THR A 125 5.625 -5.613 5.439 1.00 0.00 H new ATOM 0 HG1 THR A 125 6.512 -4.715 7.616 1.00 0.00 H new ATOM 0 HG21 THR A 125 6.819 -3.858 4.121 1.00 0.00 H new ATOM 0 HG22 THR A 125 5.055 -3.761 3.904 1.00 0.00 H new ATOM 0 HG23 THR A 125 5.886 -2.601 4.968 1.00 0.00 H new ATOM 1272 N LYS A 126 3.163 -6.222 7.539 1.00 0.00 N ATOM 1273 CA LYS A 126 2.797 -7.220 8.543 1.00 0.00 C ATOM 1274 C LYS A 126 3.812 -8.378 8.500 1.00 0.00 C ATOM 1275 O LYS A 126 4.123 -8.984 9.527 1.00 0.00 O ATOM 1276 CB LYS A 126 1.356 -7.718 8.256 1.00 0.00 C ATOM 1277 CG LYS A 126 0.886 -8.896 9.134 1.00 0.00 C ATOM 1278 CD LYS A 126 -0.507 -9.430 8.726 1.00 0.00 C ATOM 1279 CE LYS A 126 -0.898 -10.698 9.500 1.00 0.00 C ATOM 1280 NZ LYS A 126 -0.986 -10.465 10.964 1.00 0.00 N ATOM 0 H LYS A 126 2.607 -6.283 6.686 1.00 0.00 H new ATOM 0 HA LYS A 126 2.819 -6.786 9.543 1.00 0.00 H new ATOM 0 HB2 LYS A 126 0.666 -6.885 8.392 1.00 0.00 H new ATOM 0 HB3 LYS A 126 1.293 -8.017 7.210 1.00 0.00 H new ATOM 0 HG2 LYS A 126 1.614 -9.705 9.068 1.00 0.00 H new ATOM 0 HG3 LYS A 126 0.857 -8.577 10.176 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -1.255 -8.656 8.900 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -0.512 -9.644 7.657 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -1.859 -11.061 9.135 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -0.165 -11.481 9.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -1.269 -11.346 11.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -0.059 -10.160 11.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -1.692 -9.726 11.156 1.00 0.00 H new ATOM 1294 N CYS A 127 4.331 -8.652 7.293 1.00 0.00 N ATOM 1295 CA CYS A 127 5.387 -9.653 7.062 1.00 0.00 C ATOM 1296 C CYS A 127 6.696 -8.908 6.706 1.00 0.00 C ATOM 1297 O CYS A 127 6.946 -8.634 5.524 1.00 0.00 O ATOM 1298 CB CYS A 127 4.951 -10.619 5.937 1.00 0.00 C ATOM 1299 SG CYS A 127 6.062 -12.012 5.656 1.00 0.00 S ATOM 0 H CYS A 127 4.027 -8.181 6.441 1.00 0.00 H new ATOM 0 HA CYS A 127 5.558 -10.251 7.957 1.00 0.00 H new ATOM 0 HB2 CYS A 127 3.960 -11.006 6.175 1.00 0.00 H new ATOM 0 HB3 CYS A 127 4.859 -10.054 5.009 1.00 0.00 H new ATOM 0 HG CYS A 127 6.875 -12.128 6.663 1.00 0.00 H new ATOM 1305 N PRO A 128 7.526 -8.512 7.733 1.00 0.00 N ATOM 1306 CA PRO A 128 8.706 -7.642 7.528 1.00 0.00 C ATOM 1307 C PRO A 128 9.849 -8.313 6.725 1.00 0.00 C ATOM 1308 O PRO A 128 9.958 -8.121 5.507 1.00 0.00 O ATOM 1309 CB PRO A 128 9.134 -7.230 8.977 1.00 0.00 C ATOM 1310 CG PRO A 128 7.988 -7.656 9.852 1.00 0.00 C ATOM 1311 CD PRO A 128 7.382 -8.855 9.168 1.00 0.00 C ATOM 0 HA PRO A 128 8.463 -6.780 6.907 1.00 0.00 H new ATOM 0 HB2 PRO A 128 10.061 -7.723 9.271 1.00 0.00 H new ATOM 0 HB3 PRO A 128 9.308 -6.156 9.048 1.00 0.00 H new ATOM 0 HG2 PRO A 128 8.333 -7.909 10.855 1.00 0.00 H new ATOM 0 HG3 PRO A 128 7.257 -6.854 9.959 1.00 0.00 H new ATOM 0 HD2 PRO A 128 7.909 -9.775 9.420 1.00 0.00 H new ATOM 0 HD3 PRO A 128 6.338 -8.998 9.448 1.00 0.00 H new ATOM 1319 N LEU A 129 10.672 -9.104 7.412 1.00 0.00 N ATOM 1320 CA LEU A 129 11.866 -9.770 6.836 1.00 0.00 C ATOM 1321 C LEU A 129 11.948 -11.207 7.367 1.00 0.00 C ATOM 1322 O LEU A 129 12.228 -11.408 8.555 1.00 0.00 O ATOM 1323 CB LEU A 129 13.172 -8.989 7.193 1.00 0.00 C ATOM 1324 CG LEU A 129 13.324 -7.555 6.580 1.00 0.00 C ATOM 1325 CD1 LEU A 129 14.577 -6.834 7.128 1.00 0.00 C ATOM 1326 CD2 LEU A 129 13.343 -7.598 5.029 1.00 0.00 C ATOM 0 H LEU A 129 10.536 -9.311 8.401 1.00 0.00 H new ATOM 0 HA LEU A 129 11.771 -9.783 5.750 1.00 0.00 H new ATOM 0 HB2 LEU A 129 13.231 -8.903 8.278 1.00 0.00 H new ATOM 0 HB3 LEU A 129 14.025 -9.588 6.873 1.00 0.00 H new ATOM 0 HG LEU A 129 12.449 -6.981 6.886 1.00 0.00 H new ATOM 0 HD11 LEU A 129 14.651 -5.842 6.681 1.00 0.00 H new ATOM 0 HD12 LEU A 129 14.498 -6.739 8.211 1.00 0.00 H new ATOM 0 HD13 LEU A 129 15.467 -7.411 6.879 1.00 0.00 H new ATOM 0 HD21 LEU A 129 13.450 -6.586 4.638 1.00 0.00 H new ATOM 0 HD22 LEU A 129 14.182 -8.207 4.692 1.00 0.00 H new ATOM 0 HD23 LEU A 129 12.411 -8.031 4.666 1.00 0.00 H new ATOM 1338 N GLU A 130 11.655 -12.196 6.501 1.00 0.00 N ATOM 1339 CA GLU A 130 11.753 -13.628 6.858 1.00 0.00 C ATOM 1340 C GLU A 130 13.228 -14.012 7.122 1.00 0.00 C ATOM 1341 O GLU A 130 13.596 -14.247 8.294 1.00 0.00 O ATOM 1342 CB GLU A 130 11.132 -14.523 5.747 1.00 0.00 C ATOM 1343 CG GLU A 130 9.638 -14.263 5.473 1.00 0.00 C ATOM 1344 CD GLU A 130 8.750 -14.404 6.727 1.00 0.00 C ATOM 1345 OE1 GLU A 130 8.394 -15.547 7.093 1.00 0.00 O ATOM 1346 OE2 GLU A 130 8.398 -13.374 7.353 1.00 0.00 O ATOM 0 H GLU A 130 11.347 -12.030 5.543 1.00 0.00 H new ATOM 0 HA GLU A 130 11.184 -13.797 7.772 1.00 0.00 H new ATOM 0 HB2 GLU A 130 11.689 -14.371 4.823 1.00 0.00 H new ATOM 0 HB3 GLU A 130 11.260 -15.569 6.028 1.00 0.00 H new ATOM 0 HG2 GLU A 130 9.521 -13.259 5.065 1.00 0.00 H new ATOM 0 HG3 GLU A 130 9.290 -14.960 4.710 1.00 0.00 H new TER 1353 GLU A 130