USER MOD reduce.3.24.130724 H: found=0, std=0, add=892, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 888 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 15 MET CE :methyl 180:sc= -0.141 (180deg=0) USER MOD Set 1.2: A 87 MET CE :methyl -166:sc= -4.29! (180deg=-4.81!) USER MOD Set 2.1: A 44 SER OG : rot 161:sc= 0.682! USER MOD Set 2.2: A 49 TYR OH : rot 91:sc= 0.794 USER MOD Set 3.1: A 34 MET CE :methyl -136:sc= -3.73! (180deg=-6.15!) USER MOD Set 3.2: A 58 ASN :FLIP amide:sc= -4.87! F(o=-12,f=-8.6!) USER MOD Set 4.1: A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 13 GLN :FLIP amide:sc= -2.98 F(o=-4.6!,f=-3) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.2 X(o=-0.2,f=-0.68) USER MOD Single : A 16 GLN : amide:sc= -0.197 K(o=-0.2,f=-3.5!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.506 X(o=-0.51,f=-0.016) USER MOD Single : A 28 LYS NZ :NH3+ 142:sc= -4.42! (180deg=-5.85!) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= -1.1 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 170:sc= 0 USER MOD Single : A 43 MET CE :methyl -141:sc= -5.57! (180deg=-9.49!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot -68:sc= 1.15 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -0.127 K(o=-0.13,f=-0.86) USER MOD Single : A 102 SER OG : rot -151:sc= -2.78! USER MOD Single : A 107 MET CE :methyl -128:sc= -7.02! (180deg=-9.96!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.460 -8.476 -5.461 1.00 0.00 N ATOM 2 CA MET A 1 -8.973 -8.519 -4.104 1.00 0.00 C ATOM 3 C MET A 1 -10.143 -9.499 -3.988 1.00 0.00 C ATOM 4 O MET A 1 -11.241 -9.114 -3.591 1.00 0.00 O ATOM 5 CB MET A 1 -9.435 -7.121 -3.687 1.00 0.00 C ATOM 6 CG MET A 1 -9.666 -7.048 -2.176 1.00 0.00 C ATOM 7 SD MET A 1 -9.625 -5.347 -1.636 1.00 0.00 S ATOM 8 CE MET A 1 -11.374 -5.033 -1.465 1.00 0.00 C ATOM 0 H1 MET A 1 -7.668 -7.804 -5.512 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.129 -9.423 -5.737 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.215 -8.170 -6.108 1.00 0.00 H new ATOM 0 HA MET A 1 -8.173 -8.859 -3.446 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.687 -6.384 -3.980 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.356 -6.867 -4.212 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.628 -7.495 -1.924 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.901 -7.623 -1.654 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.529 -4.007 -1.132 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.866 -5.180 -2.426 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.797 -5.720 -0.732 1.00 0.00 H new ATOM 18 N ALA A 2 -9.864 -10.745 -4.343 1.00 0.00 N ATOM 19 CA ALA A 2 -10.881 -11.783 -4.285 1.00 0.00 C ATOM 20 C ALA A 2 -10.370 -13.031 -5.007 1.00 0.00 C ATOM 21 O ALA A 2 -10.772 -13.309 -6.136 1.00 0.00 O ATOM 22 CB ALA A 2 -12.185 -11.255 -4.886 1.00 0.00 C ATOM 0 H ALA A 2 -8.951 -11.059 -4.671 1.00 0.00 H new ATOM 0 HA ALA A 2 -11.088 -12.061 -3.251 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -12.947 -12.033 -4.842 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.521 -10.386 -4.320 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -12.017 -10.969 -5.924 1.00 0.00 H new ATOM 28 N LYS A 3 -9.489 -13.750 -4.326 1.00 0.00 N ATOM 29 CA LYS A 3 -8.919 -14.964 -4.888 1.00 0.00 C ATOM 30 C LYS A 3 -8.636 -15.958 -3.762 1.00 0.00 C ATOM 31 O LYS A 3 -7.631 -15.843 -3.064 1.00 0.00 O ATOM 32 CB LYS A 3 -7.691 -14.633 -5.739 1.00 0.00 C ATOM 33 CG LYS A 3 -7.647 -15.499 -6.999 1.00 0.00 C ATOM 34 CD LYS A 3 -8.742 -15.087 -7.986 1.00 0.00 C ATOM 35 CE LYS A 3 -9.324 -16.309 -8.700 1.00 0.00 C ATOM 36 NZ LYS A 3 -10.061 -15.896 -9.915 1.00 0.00 N ATOM 0 H LYS A 3 -9.156 -13.516 -3.391 1.00 0.00 H new ATOM 0 HA LYS A 3 -9.629 -15.442 -5.564 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -7.711 -13.580 -6.018 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -6.785 -14.791 -5.153 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -6.670 -15.407 -7.474 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -7.772 -16.548 -6.729 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -9.535 -14.559 -7.456 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -8.333 -14.393 -8.720 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -8.522 -16.996 -8.970 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -9.992 -16.847 -8.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -10.450 -16.737 -10.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -10.838 -15.258 -9.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -9.414 -15.403 -10.563 1.00 0.00 H new ATOM 49 N GLU A 4 -9.543 -16.914 -3.619 1.00 0.00 N ATOM 50 CA GLU A 4 -9.405 -17.930 -2.590 1.00 0.00 C ATOM 51 C GLU A 4 -9.098 -19.289 -3.222 1.00 0.00 C ATOM 52 O GLU A 4 -10.004 -20.084 -3.466 1.00 0.00 O ATOM 53 CB GLU A 4 -10.661 -18.002 -1.718 1.00 0.00 C ATOM 54 CG GLU A 4 -11.911 -18.203 -2.575 1.00 0.00 C ATOM 55 CD GLU A 4 -12.842 -16.993 -2.478 1.00 0.00 C ATOM 56 OE1 GLU A 4 -12.808 -16.262 -1.476 1.00 0.00 O ATOM 57 OE2 GLU A 4 -13.622 -16.822 -3.491 1.00 0.00 O ATOM 0 H GLU A 4 -10.377 -17.006 -4.199 1.00 0.00 H new ATOM 0 HA GLU A 4 -8.570 -17.654 -1.946 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -10.568 -18.822 -1.006 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -10.758 -17.085 -1.137 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -11.622 -18.362 -3.614 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -12.439 -19.100 -2.250 1.00 0.00 H new ATOM 65 N PHE A 5 -7.815 -19.514 -3.468 1.00 0.00 N ATOM 66 CA PHE A 5 -7.377 -20.763 -4.069 1.00 0.00 C ATOM 67 C PHE A 5 -6.031 -21.206 -3.489 1.00 0.00 C ATOM 68 O PHE A 5 -5.518 -20.589 -2.557 1.00 0.00 O ATOM 69 CB PHE A 5 -7.214 -20.508 -5.567 1.00 0.00 C ATOM 70 CG PHE A 5 -7.429 -21.749 -6.436 1.00 0.00 C ATOM 71 CD1 PHE A 5 -8.513 -22.542 -6.233 1.00 0.00 C ATOM 72 CD2 PHE A 5 -6.533 -22.057 -7.414 1.00 0.00 C ATOM 73 CE1 PHE A 5 -8.711 -23.695 -7.039 1.00 0.00 C ATOM 74 CE2 PHE A 5 -6.732 -23.207 -8.221 1.00 0.00 C ATOM 75 CZ PHE A 5 -7.816 -24.003 -8.016 1.00 0.00 C ATOM 0 H PHE A 5 -7.066 -18.853 -3.262 1.00 0.00 H new ATOM 0 HA PHE A 5 -8.106 -21.548 -3.869 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -7.920 -19.736 -5.873 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -6.214 -20.116 -5.752 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -9.225 -22.296 -5.459 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.671 -21.426 -7.575 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -9.572 -24.327 -6.876 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -6.023 -23.450 -8.998 1.00 0.00 H new ATOM 0 HZ PHE A 5 -7.966 -24.879 -8.629 1.00 0.00 H new ATOM 85 N GLY A 6 -5.499 -22.273 -4.065 1.00 0.00 N ATOM 86 CA GLY A 6 -4.222 -22.807 -3.619 1.00 0.00 C ATOM 87 C GLY A 6 -3.065 -22.201 -4.417 1.00 0.00 C ATOM 88 O GLY A 6 -1.904 -22.530 -4.181 1.00 0.00 O ATOM 0 H GLY A 6 -5.928 -22.783 -4.837 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.086 -22.596 -2.558 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.218 -23.891 -3.732 1.00 0.00 H new ATOM 92 N ARG A 7 -3.424 -21.326 -5.347 1.00 0.00 N ATOM 93 CA ARG A 7 -2.429 -20.671 -6.180 1.00 0.00 C ATOM 94 C ARG A 7 -1.727 -19.562 -5.397 1.00 0.00 C ATOM 95 O ARG A 7 -2.056 -19.310 -4.239 1.00 0.00 O ATOM 96 CB ARG A 7 -3.071 -20.074 -7.435 1.00 0.00 C ATOM 97 CG ARG A 7 -2.558 -20.768 -8.697 1.00 0.00 C ATOM 98 CD ARG A 7 -2.485 -19.789 -9.871 1.00 0.00 C ATOM 99 NE ARG A 7 -1.173 -19.907 -10.547 1.00 0.00 N ATOM 100 CZ ARG A 7 -0.745 -21.020 -11.180 1.00 0.00 C ATOM 101 NH1 ARG A 7 -1.522 -22.122 -11.228 1.00 0.00 N ATOM 102 NH2 ARG A 7 0.446 -21.013 -11.750 1.00 0.00 N ATOM 0 H ARG A 7 -4.388 -21.056 -5.541 1.00 0.00 H new ATOM 0 HA ARG A 7 -1.700 -21.423 -6.480 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -4.155 -20.174 -7.376 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.852 -19.008 -7.488 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -1.571 -21.189 -8.509 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.216 -21.599 -8.952 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -3.288 -19.996 -10.578 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -2.629 -18.769 -9.514 1.00 0.00 H new ATOM 0 HE ARG A 7 -0.554 -19.097 -10.534 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -2.440 -22.118 -10.784 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -1.191 -22.959 -11.708 1.00 0.00 H new ATOM 0 HH21 ARG A 7 1.027 -20.176 -11.708 1.00 0.00 H new ATOM 0 HH22 ARG A 7 0.785 -21.845 -12.233 1.00 0.00 H new ATOM 115 N PRO A 8 -0.747 -18.908 -6.078 1.00 0.00 N ATOM 116 CA PRO A 8 0.005 -17.830 -5.458 1.00 0.00 C ATOM 117 C PRO A 8 -0.834 -16.554 -5.373 1.00 0.00 C ATOM 118 O PRO A 8 -0.356 -15.521 -4.907 1.00 0.00 O ATOM 119 CB PRO A 8 1.246 -17.670 -6.321 1.00 0.00 C ATOM 120 CG PRO A 8 0.921 -18.338 -7.647 1.00 0.00 C ATOM 121 CD PRO A 8 -0.331 -19.178 -7.451 1.00 0.00 C ATOM 0 HA PRO A 8 0.279 -18.047 -4.426 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.489 -16.617 -6.463 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.112 -18.136 -5.851 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.761 -17.589 -8.423 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.752 -18.962 -7.974 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.109 -18.901 -8.162 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.124 -20.238 -7.601 1.00 0.00 H new ATOM 129 N GLN A 9 -2.074 -16.667 -5.831 1.00 0.00 N ATOM 130 CA GLN A 9 -2.983 -15.535 -5.813 1.00 0.00 C ATOM 131 C GLN A 9 -3.620 -15.387 -4.431 1.00 0.00 C ATOM 132 O GLN A 9 -3.781 -14.275 -3.932 1.00 0.00 O ATOM 133 CB GLN A 9 -4.053 -15.674 -6.898 1.00 0.00 C ATOM 134 CG GLN A 9 -4.122 -14.416 -7.766 1.00 0.00 C ATOM 135 CD GLN A 9 -2.817 -14.214 -8.541 1.00 0.00 C ATOM 136 OE1 GLN A 9 -2.175 -15.152 -8.982 1.00 0.00 O ATOM 137 NE2 GLN A 9 -2.464 -12.939 -8.683 1.00 0.00 N ATOM 0 H GLN A 9 -2.469 -17.525 -6.216 1.00 0.00 H new ATOM 0 HA GLN A 9 -2.411 -14.632 -6.026 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -3.832 -16.539 -7.523 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -5.023 -15.854 -6.436 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -4.955 -14.496 -8.464 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -4.315 -13.546 -7.138 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -3.048 -12.201 -8.289 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -1.610 -12.699 -9.186 1.00 0.00 H new ATOM 146 N ARG A 10 -3.968 -16.528 -3.850 1.00 0.00 N ATOM 147 CA ARG A 10 -4.583 -16.540 -2.534 1.00 0.00 C ATOM 148 C ARG A 10 -3.690 -15.819 -1.523 1.00 0.00 C ATOM 149 O ARG A 10 -4.097 -14.820 -0.931 1.00 0.00 O ATOM 150 CB ARG A 10 -4.832 -17.972 -2.057 1.00 0.00 C ATOM 151 CG ARG A 10 -5.800 -17.994 -0.871 1.00 0.00 C ATOM 152 CD ARG A 10 -5.920 -19.403 -0.288 1.00 0.00 C ATOM 153 NE ARG A 10 -6.179 -19.328 1.168 1.00 0.00 N ATOM 154 CZ ARG A 10 -7.370 -18.995 1.709 1.00 0.00 C ATOM 155 NH1 ARG A 10 -8.423 -18.702 0.919 1.00 0.00 N ATOM 156 NH2 ARG A 10 -7.487 -18.959 3.024 1.00 0.00 N ATOM 0 H ARG A 10 -3.835 -17.449 -4.267 1.00 0.00 H new ATOM 0 HA ARG A 10 -5.540 -16.023 -2.610 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.240 -18.566 -2.875 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.887 -18.433 -1.769 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -5.452 -17.306 -0.100 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.781 -17.644 -1.191 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -6.728 -19.942 -0.782 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -5.003 -19.962 -0.474 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.409 -19.541 1.802 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -8.323 -18.731 -0.096 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -9.319 -18.451 1.336 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.685 -19.181 3.614 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -8.380 -18.709 3.450 1.00 0.00 H new ATOM 169 N VAL A 11 -2.491 -16.354 -1.354 1.00 0.00 N ATOM 170 CA VAL A 11 -1.536 -15.775 -0.425 1.00 0.00 C ATOM 171 C VAL A 11 -1.421 -14.272 -0.688 1.00 0.00 C ATOM 172 O VAL A 11 -1.364 -13.478 0.247 1.00 0.00 O ATOM 173 CB VAL A 11 -0.195 -16.505 -0.529 1.00 0.00 C ATOM 174 CG1 VAL A 11 0.767 -15.754 -1.451 1.00 0.00 C ATOM 175 CG2 VAL A 11 0.423 -16.715 0.855 1.00 0.00 C ATOM 0 H VAL A 11 -2.158 -17.184 -1.845 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.879 -15.900 0.602 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.380 -17.486 -0.966 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.712 -16.294 -1.508 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.332 -15.679 -2.447 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.943 -14.754 -1.056 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.375 -17.236 0.753 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.587 -15.748 1.331 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.253 -17.311 1.469 1.00 0.00 H new ATOM 185 N ALA A 12 -1.391 -13.930 -1.967 1.00 0.00 N ATOM 186 CA ALA A 12 -1.284 -12.536 -2.367 1.00 0.00 C ATOM 187 C ALA A 12 -2.477 -11.758 -1.807 1.00 0.00 C ATOM 188 O ALA A 12 -2.340 -10.593 -1.435 1.00 0.00 O ATOM 189 CB ALA A 12 -1.193 -12.448 -3.891 1.00 0.00 C ATOM 0 H ALA A 12 -1.439 -14.593 -2.740 1.00 0.00 H new ATOM 0 HA ALA A 12 -0.377 -12.087 -1.961 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.113 -11.403 -4.191 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -0.314 -12.993 -4.235 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.087 -12.885 -4.335 1.00 0.00 H new ATOM 195 N GLN A 13 -3.616 -12.431 -1.767 1.00 0.00 N ATOM 196 CA GLN A 13 -4.831 -11.816 -1.259 1.00 0.00 C ATOM 197 C GLN A 13 -4.698 -11.538 0.240 1.00 0.00 C ATOM 198 O GLN A 13 -4.638 -10.383 0.656 1.00 0.00 O ATOM 199 CB GLN A 13 -6.050 -12.692 -1.548 1.00 0.00 C ATOM 200 CG GLN A 13 -6.240 -12.891 -3.054 1.00 0.00 C ATOM 201 CD GLN A 13 -5.707 -11.688 -3.836 1.00 0.00 C ATOM 202 OE1 GLN A 13 -4.406 -11.748 -4.102 1.00 0.00 O flip ATOM 203 NE2 GLN A 13 -6.431 -10.766 -4.176 1.00 0.00 N flip ATOM 0 H GLN A 13 -3.724 -13.396 -2.078 1.00 0.00 H new ATOM 0 HA GLN A 13 -4.977 -10.866 -1.773 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.929 -13.660 -1.062 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.942 -12.231 -1.123 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -5.722 -13.796 -3.373 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.298 -13.034 -3.275 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -7.423 -10.782 -3.939 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.044 -9.979 -4.697 1.00 0.00 H new ATOM 212 N GLU A 14 -4.659 -12.616 1.007 1.00 0.00 N ATOM 213 CA GLU A 14 -4.535 -12.503 2.451 1.00 0.00 C ATOM 214 C GLU A 14 -3.533 -11.405 2.813 1.00 0.00 C ATOM 215 O GLU A 14 -3.750 -10.646 3.757 1.00 0.00 O ATOM 216 CB GLU A 14 -4.130 -13.840 3.074 1.00 0.00 C ATOM 217 CG GLU A 14 -5.313 -14.811 3.102 1.00 0.00 C ATOM 218 CD GLU A 14 -5.781 -15.062 4.537 1.00 0.00 C ATOM 219 OE1 GLU A 14 -6.979 -14.933 4.829 1.00 0.00 O ATOM 220 OE2 GLU A 14 -4.850 -15.402 5.364 1.00 0.00 O ATOM 0 H GLU A 14 -4.711 -13.573 0.657 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.508 -12.230 2.859 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.309 -14.277 2.505 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.764 -13.677 4.088 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.135 -14.405 2.513 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.025 -15.755 2.639 1.00 0.00 H new ATOM 228 N MET A 15 -2.456 -11.354 2.043 1.00 0.00 N ATOM 229 CA MET A 15 -1.419 -10.361 2.270 1.00 0.00 C ATOM 230 C MET A 15 -1.869 -8.978 1.790 1.00 0.00 C ATOM 231 O MET A 15 -1.571 -7.969 2.426 1.00 0.00 O ATOM 232 CB MET A 15 -0.147 -10.770 1.527 1.00 0.00 C ATOM 233 CG MET A 15 1.018 -10.966 2.499 1.00 0.00 C ATOM 234 SD MET A 15 2.071 -9.526 2.489 1.00 0.00 S ATOM 235 CE MET A 15 3.537 -10.208 3.246 1.00 0.00 C ATOM 0 H MET A 15 -2.279 -11.984 1.261 1.00 0.00 H new ATOM 0 HA MET A 15 -1.223 -10.308 3.341 1.00 0.00 H new ATOM 0 HB2 MET A 15 -0.325 -11.694 0.976 1.00 0.00 H new ATOM 0 HB3 MET A 15 0.111 -10.006 0.794 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.637 -11.141 3.505 1.00 0.00 H new ATOM 0 HG3 MET A 15 1.592 -11.849 2.218 1.00 0.00 H new ATOM 0 HE1 MET A 15 4.303 -9.435 3.317 1.00 0.00 H new ATOM 0 HE2 MET A 15 3.295 -10.573 4.244 1.00 0.00 H new ATOM 0 HE3 MET A 15 3.910 -11.033 2.639 1.00 0.00 H new ATOM 245 N GLN A 16 -2.578 -8.978 0.670 1.00 0.00 N ATOM 246 CA GLN A 16 -3.071 -7.737 0.098 1.00 0.00 C ATOM 247 C GLN A 16 -4.084 -7.084 1.040 1.00 0.00 C ATOM 248 O GLN A 16 -4.138 -5.859 1.146 1.00 0.00 O ATOM 249 CB GLN A 16 -3.683 -7.977 -1.284 1.00 0.00 C ATOM 250 CG GLN A 16 -3.994 -6.652 -1.982 1.00 0.00 C ATOM 251 CD GLN A 16 -5.498 -6.492 -2.208 1.00 0.00 C ATOM 252 OE1 GLN A 16 -6.321 -7.117 -1.559 1.00 0.00 O ATOM 253 NE2 GLN A 16 -5.812 -5.621 -3.164 1.00 0.00 N ATOM 0 H GLN A 16 -2.822 -9.817 0.144 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.229 -7.056 -0.026 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -2.994 -8.561 -1.894 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.597 -8.563 -1.185 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.623 -5.823 -1.379 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.472 -6.609 -2.938 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.074 -5.131 -3.670 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -6.790 -5.444 -3.391 1.00 0.00 H new ATOM 262 N LYS A 17 -4.860 -7.930 1.700 1.00 0.00 N ATOM 263 CA LYS A 17 -5.868 -7.449 2.631 1.00 0.00 C ATOM 264 C LYS A 17 -5.188 -6.993 3.924 1.00 0.00 C ATOM 265 O LYS A 17 -5.594 -6.001 4.527 1.00 0.00 O ATOM 266 CB LYS A 17 -6.949 -8.511 2.846 1.00 0.00 C ATOM 267 CG LYS A 17 -6.457 -9.610 3.789 1.00 0.00 C ATOM 268 CD LYS A 17 -7.634 -10.368 4.406 1.00 0.00 C ATOM 269 CE LYS A 17 -7.790 -10.022 5.890 1.00 0.00 C ATOM 270 NZ LYS A 17 -8.739 -10.952 6.541 1.00 0.00 N ATOM 0 H LYS A 17 -4.812 -8.945 1.609 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.383 -6.581 2.219 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.844 -8.046 3.259 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.230 -8.948 1.888 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.818 -10.304 3.243 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.848 -9.171 4.579 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -8.551 -10.120 3.872 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.480 -11.441 4.293 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.821 -10.076 6.386 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.146 -8.997 5.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.834 -10.704 7.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.668 -10.881 6.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.384 -11.926 6.457 1.00 0.00 H new ATOM 283 N GLU A 18 -4.165 -7.741 4.310 1.00 0.00 N ATOM 284 CA GLU A 18 -3.424 -7.427 5.520 1.00 0.00 C ATOM 285 C GLU A 18 -2.622 -6.138 5.333 1.00 0.00 C ATOM 286 O GLU A 18 -2.565 -5.301 6.231 1.00 0.00 O ATOM 287 CB GLU A 18 -2.512 -8.586 5.923 1.00 0.00 C ATOM 288 CG GLU A 18 -1.909 -8.357 7.309 1.00 0.00 C ATOM 289 CD GLU A 18 -2.595 -9.234 8.358 1.00 0.00 C ATOM 290 OE1 GLU A 18 -3.186 -8.710 9.314 1.00 0.00 O ATOM 291 OE2 GLU A 18 -2.499 -10.505 8.155 1.00 0.00 O ATOM 0 H GLU A 18 -3.832 -8.563 3.807 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.139 -7.273 6.329 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.079 -9.517 5.919 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.713 -8.696 5.189 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.842 -8.579 7.286 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.011 -7.307 7.585 1.00 0.00 H new ATOM 299 N ILE A 19 -2.020 -6.020 4.158 1.00 0.00 N ATOM 300 CA ILE A 19 -1.223 -4.847 3.840 1.00 0.00 C ATOM 301 C ILE A 19 -2.153 -3.672 3.530 1.00 0.00 C ATOM 302 O ILE A 19 -1.879 -2.539 3.920 1.00 0.00 O ATOM 303 CB ILE A 19 -0.233 -5.161 2.715 1.00 0.00 C ATOM 304 CG1 ILE A 19 -0.924 -5.122 1.350 1.00 0.00 C ATOM 305 CG2 ILE A 19 0.472 -6.495 2.964 1.00 0.00 C ATOM 306 CD1 ILE A 19 0.000 -5.658 0.255 1.00 0.00 C ATOM 0 H ILE A 19 -2.068 -6.717 3.415 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.615 -4.556 4.697 1.00 0.00 H new ATOM 0 HB ILE A 19 0.535 -4.387 2.708 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.838 -5.716 1.383 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.217 -4.099 1.115 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.170 -6.695 2.151 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.017 -6.448 3.907 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.268 -7.294 3.012 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.514 -5.620 -0.706 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.902 -5.047 0.209 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.272 -6.689 0.481 1.00 0.00 H new ATOM 318 N ALA A 20 -3.235 -3.983 2.830 1.00 0.00 N ATOM 319 CA ALA A 20 -4.206 -2.967 2.463 1.00 0.00 C ATOM 320 C ALA A 20 -4.788 -2.342 3.732 1.00 0.00 C ATOM 321 O ALA A 20 -5.075 -1.146 3.765 1.00 0.00 O ATOM 322 CB ALA A 20 -5.283 -3.589 1.573 1.00 0.00 C ATOM 0 H ALA A 20 -3.460 -4.924 2.508 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.730 -2.170 1.891 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.012 -2.827 1.297 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.822 -3.993 0.672 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.784 -4.391 2.115 1.00 0.00 H new ATOM 328 N LEU A 21 -4.946 -3.180 4.747 1.00 0.00 N ATOM 329 CA LEU A 21 -5.488 -2.724 6.016 1.00 0.00 C ATOM 330 C LEU A 21 -4.445 -1.863 6.731 1.00 0.00 C ATOM 331 O LEU A 21 -4.701 -0.699 7.038 1.00 0.00 O ATOM 332 CB LEU A 21 -5.979 -3.912 6.845 1.00 0.00 C ATOM 333 CG LEU A 21 -6.303 -3.617 8.311 1.00 0.00 C ATOM 334 CD1 LEU A 21 -7.776 -3.895 8.615 1.00 0.00 C ATOM 335 CD2 LEU A 21 -5.370 -4.391 9.245 1.00 0.00 C ATOM 0 H LEU A 21 -4.708 -4.171 4.716 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.363 -2.095 5.854 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.873 -4.317 6.370 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.219 -4.692 6.811 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.132 -2.556 8.491 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.979 -3.677 9.664 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.403 -3.264 7.985 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.998 -4.943 8.413 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.621 -4.163 10.281 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.485 -5.461 9.070 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.338 -4.101 9.050 1.00 0.00 H new ATOM 347 N ILE A 22 -3.293 -2.469 6.977 1.00 0.00 N ATOM 348 CA ILE A 22 -2.211 -1.772 7.652 1.00 0.00 C ATOM 349 C ILE A 22 -1.823 -0.534 6.840 1.00 0.00 C ATOM 350 O ILE A 22 -1.221 0.397 7.371 1.00 0.00 O ATOM 351 CB ILE A 22 -1.043 -2.725 7.917 1.00 0.00 C ATOM 352 CG1 ILE A 22 -1.503 -3.947 8.713 1.00 0.00 C ATOM 353 CG2 ILE A 22 0.114 -1.996 8.604 1.00 0.00 C ATOM 354 CD1 ILE A 22 -0.610 -5.155 8.426 1.00 0.00 C ATOM 0 H ILE A 22 -3.085 -3.434 6.721 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.535 -1.422 8.632 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.672 -3.086 6.958 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.483 -3.720 9.779 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.536 -4.185 8.457 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.931 -2.696 8.781 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.463 -1.184 7.965 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.227 -1.588 9.556 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.958 -6.011 9.004 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.652 -5.394 7.363 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.418 -4.922 8.705 1.00 0.00 H new ATOM 366 N LEU A 23 -2.182 -0.565 5.565 1.00 0.00 N ATOM 367 CA LEU A 23 -1.880 0.543 4.675 1.00 0.00 C ATOM 368 C LEU A 23 -2.994 1.585 4.768 1.00 0.00 C ATOM 369 O LEU A 23 -2.806 2.737 4.377 1.00 0.00 O ATOM 370 CB LEU A 23 -1.631 0.034 3.253 1.00 0.00 C ATOM 371 CG LEU A 23 -1.210 1.089 2.227 1.00 0.00 C ATOM 372 CD1 LEU A 23 -0.113 0.553 1.307 1.00 0.00 C ATOM 373 CD2 LEU A 23 -2.419 1.599 1.440 1.00 0.00 C ATOM 0 H LEU A 23 -2.679 -1.340 5.127 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.957 1.036 4.980 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.858 -0.734 3.293 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.541 -0.448 2.896 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.791 1.940 2.764 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.167 1.323 0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.758 0.277 1.902 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.481 -0.324 0.775 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.093 2.348 0.718 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.888 0.767 0.914 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.138 2.046 2.127 1.00 0.00 H new ATOM 385 N GLN A 24 -4.130 1.147 5.288 1.00 0.00 N ATOM 386 CA GLN A 24 -5.275 2.029 5.438 1.00 0.00 C ATOM 387 C GLN A 24 -5.536 2.313 6.918 1.00 0.00 C ATOM 388 O GLN A 24 -6.373 3.149 7.255 1.00 0.00 O ATOM 389 CB GLN A 24 -6.516 1.436 4.766 1.00 0.00 C ATOM 390 CG GLN A 24 -6.793 2.117 3.426 1.00 0.00 C ATOM 391 CD GLN A 24 -7.805 1.318 2.602 1.00 0.00 C ATOM 392 OE1 GLN A 24 -8.885 0.982 3.056 1.00 0.00 O ATOM 393 NE2 GLN A 24 -7.394 1.034 1.370 1.00 0.00 N ATOM 0 H GLN A 24 -4.283 0.192 5.611 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.049 2.973 4.941 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.374 0.366 4.612 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.379 1.552 5.422 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.173 3.124 3.598 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -5.863 2.218 2.867 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -6.476 1.347 1.054 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.997 0.503 0.741 1.00 0.00 H new ATOM 402 N ARG A 25 -4.803 1.602 7.763 1.00 0.00 N ATOM 403 CA ARG A 25 -4.945 1.767 9.199 1.00 0.00 C ATOM 404 C ARG A 25 -3.689 2.414 9.785 1.00 0.00 C ATOM 405 O ARG A 25 -3.754 3.502 10.355 1.00 0.00 O ATOM 406 CB ARG A 25 -5.187 0.422 9.887 1.00 0.00 C ATOM 407 CG ARG A 25 -6.656 0.268 10.291 1.00 0.00 C ATOM 408 CD ARG A 25 -6.782 -0.481 11.619 1.00 0.00 C ATOM 409 NE ARG A 25 -6.911 0.485 12.734 1.00 0.00 N ATOM 410 CZ ARG A 25 -8.064 1.098 13.075 1.00 0.00 C ATOM 411 NH1 ARG A 25 -9.201 0.850 12.390 1.00 0.00 N ATOM 412 NH2 ARG A 25 -8.064 1.943 14.090 1.00 0.00 N ATOM 0 H ARG A 25 -4.109 0.910 7.480 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.806 2.412 9.375 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.904 -0.389 9.217 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.553 0.342 10.770 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -7.118 1.251 10.378 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -7.197 -0.270 9.513 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.651 -1.139 11.594 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.908 -1.113 11.774 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.076 0.701 13.279 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -9.193 0.195 11.608 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -10.068 1.318 12.654 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.201 2.124 14.603 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -8.927 2.415 14.361 1.00 0.00 H new ATOM 425 N GLU A 26 -2.574 1.716 9.626 1.00 0.00 N ATOM 426 CA GLU A 26 -1.304 2.211 10.132 1.00 0.00 C ATOM 427 C GLU A 26 -0.889 3.478 9.382 1.00 0.00 C ATOM 428 O GLU A 26 0.007 4.197 9.820 1.00 0.00 O ATOM 429 CB GLU A 26 -0.220 1.135 10.033 1.00 0.00 C ATOM 430 CG GLU A 26 0.797 1.481 8.943 1.00 0.00 C ATOM 431 CD GLU A 26 1.844 2.469 9.464 1.00 0.00 C ATOM 432 OE1 GLU A 26 2.063 2.555 10.681 1.00 0.00 O ATOM 433 OE2 GLU A 26 2.439 3.161 8.553 1.00 0.00 O ATOM 0 H GLU A 26 -2.523 0.813 9.155 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.428 2.462 11.185 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.289 1.037 10.992 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.679 0.171 9.815 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.289 0.572 8.598 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.282 1.910 8.083 1.00 0.00 H new ATOM 441 N ILE A 27 -1.560 3.710 8.263 1.00 0.00 N ATOM 442 CA ILE A 27 -1.273 4.879 7.448 1.00 0.00 C ATOM 443 C ILE A 27 -2.127 6.053 7.928 1.00 0.00 C ATOM 444 O ILE A 27 -2.905 5.915 8.871 1.00 0.00 O ATOM 445 CB ILE A 27 -1.454 4.553 5.964 1.00 0.00 C ATOM 446 CG1 ILE A 27 -0.301 5.124 5.134 1.00 0.00 C ATOM 447 CG2 ILE A 27 -2.815 5.034 5.458 1.00 0.00 C ATOM 448 CD1 ILE A 27 -0.678 5.204 3.653 1.00 0.00 C ATOM 0 H ILE A 27 -2.301 3.109 7.902 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.231 5.176 7.562 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.432 3.469 5.847 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.041 6.117 5.501 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.583 4.498 5.254 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.917 4.790 4.401 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.607 4.542 6.022 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.892 6.113 5.590 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.158 5.613 3.086 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.914 4.206 3.283 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.548 5.850 3.533 1.00 0.00 H new ATOM 460 N LYS A 28 -1.955 7.183 7.258 1.00 0.00 N ATOM 461 CA LYS A 28 -2.701 8.381 7.604 1.00 0.00 C ATOM 462 C LYS A 28 -3.871 8.547 6.632 1.00 0.00 C ATOM 463 O LYS A 28 -3.842 9.417 5.764 1.00 0.00 O ATOM 464 CB LYS A 28 -1.770 9.594 7.660 1.00 0.00 C ATOM 465 CG LYS A 28 -1.130 9.857 6.295 1.00 0.00 C ATOM 466 CD LYS A 28 0.385 10.027 6.425 1.00 0.00 C ATOM 467 CE LYS A 28 1.115 8.738 6.044 1.00 0.00 C ATOM 468 NZ LYS A 28 2.440 8.679 6.703 1.00 0.00 N ATOM 0 H LYS A 28 -1.309 7.294 6.476 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.127 8.289 8.603 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.331 10.473 7.978 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.992 9.426 8.404 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.350 9.030 5.620 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.564 10.754 5.852 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.720 10.842 5.783 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.637 10.303 7.449 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.518 7.875 6.337 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.238 8.689 4.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.638 7.701 6.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.173 8.996 6.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.440 9.299 7.538 1.00 0.00 H new ATOM 481 N ASP A 29 -4.873 7.698 6.811 1.00 0.00 N ATOM 482 CA ASP A 29 -6.050 7.741 5.960 1.00 0.00 C ATOM 483 C ASP A 29 -7.021 8.796 6.493 1.00 0.00 C ATOM 484 O ASP A 29 -7.488 9.650 5.741 1.00 0.00 O ATOM 485 CB ASP A 29 -6.773 6.392 5.955 1.00 0.00 C ATOM 486 CG ASP A 29 -8.288 6.471 6.155 1.00 0.00 C ATOM 487 OD1 ASP A 29 -8.782 6.489 7.292 1.00 0.00 O ATOM 488 OD2 ASP A 29 -8.980 6.514 5.067 1.00 0.00 O ATOM 0 H ASP A 29 -4.894 6.977 7.532 1.00 0.00 H new ATOM 0 HA ASP A 29 -5.727 7.982 4.947 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.572 5.892 5.007 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.350 5.767 6.741 1.00 0.00 H new ATOM 494 N PRO A 30 -7.303 8.700 7.820 1.00 0.00 N ATOM 495 CA PRO A 30 -8.210 9.636 8.461 1.00 0.00 C ATOM 496 C PRO A 30 -7.540 10.997 8.667 1.00 0.00 C ATOM 497 O PRO A 30 -8.214 11.995 8.910 1.00 0.00 O ATOM 498 CB PRO A 30 -8.607 8.967 9.768 1.00 0.00 C ATOM 499 CG PRO A 30 -7.556 7.900 10.025 1.00 0.00 C ATOM 500 CD PRO A 30 -6.767 7.702 8.742 1.00 0.00 C ATOM 0 HA PRO A 30 -9.090 9.850 7.854 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -8.637 9.690 10.583 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -9.601 8.526 9.695 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.895 8.204 10.836 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.028 6.966 10.331 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -5.699 7.848 8.907 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -6.894 6.693 8.351 1.00 0.00 H new ATOM 508 N ARG A 31 -6.219 10.991 8.561 1.00 0.00 N ATOM 509 CA ARG A 31 -5.449 12.212 8.731 1.00 0.00 C ATOM 510 C ARG A 31 -5.544 13.080 7.475 1.00 0.00 C ATOM 511 O ARG A 31 -5.397 14.299 7.544 1.00 0.00 O ATOM 512 CB ARG A 31 -3.979 11.901 9.017 1.00 0.00 C ATOM 513 CG ARG A 31 -3.486 12.664 10.249 1.00 0.00 C ATOM 514 CD ARG A 31 -2.413 11.869 10.994 1.00 0.00 C ATOM 515 NE ARG A 31 -1.887 12.665 12.125 1.00 0.00 N ATOM 516 CZ ARG A 31 -0.892 12.256 12.942 1.00 0.00 C ATOM 517 NH1 ARG A 31 -0.310 11.052 12.760 1.00 0.00 N ATOM 518 NH2 ARG A 31 -0.501 13.049 13.921 1.00 0.00 N ATOM 0 H ARG A 31 -5.662 10.160 8.360 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.867 12.751 9.581 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.854 10.830 9.174 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.372 12.169 8.152 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.083 13.630 9.945 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.324 12.864 10.916 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.832 10.932 11.362 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.602 11.610 10.313 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.302 13.580 12.299 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.621 10.445 12.002 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.441 10.749 13.381 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.949 13.956 14.052 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.249 12.755 14.547 1.00 0.00 H new ATOM 531 N LEU A 32 -5.791 12.417 6.354 1.00 0.00 N ATOM 532 CA LEU A 32 -5.909 13.112 5.084 1.00 0.00 C ATOM 533 C LEU A 32 -7.355 13.564 4.886 1.00 0.00 C ATOM 534 O LEU A 32 -7.621 14.493 4.124 1.00 0.00 O ATOM 535 CB LEU A 32 -5.375 12.239 3.945 1.00 0.00 C ATOM 536 CG LEU A 32 -3.870 11.964 3.959 1.00 0.00 C ATOM 537 CD1 LEU A 32 -3.522 10.780 3.055 1.00 0.00 C ATOM 538 CD2 LEU A 32 -3.078 13.221 3.590 1.00 0.00 C ATOM 0 H LEU A 32 -5.913 11.406 6.300 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.292 14.011 5.083 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.899 11.284 3.970 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.628 12.717 2.998 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.582 11.690 4.974 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.446 10.605 3.082 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.044 9.889 3.405 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.828 11.001 2.032 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.011 12.997 3.608 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.363 13.550 2.591 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.295 14.012 4.308 1.00 0.00 H new ATOM 550 N GLY A 33 -8.254 12.888 5.585 1.00 0.00 N ATOM 551 CA GLY A 33 -9.668 13.209 5.497 1.00 0.00 C ATOM 552 C GLY A 33 -10.316 12.506 4.302 1.00 0.00 C ATOM 553 O GLY A 33 -11.386 12.907 3.847 1.00 0.00 O ATOM 0 H GLY A 33 -8.030 12.118 6.216 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.171 12.909 6.416 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.795 14.287 5.402 1.00 0.00 H new ATOM 557 N MET A 34 -9.640 11.468 3.829 1.00 0.00 N ATOM 558 CA MET A 34 -10.137 10.706 2.696 1.00 0.00 C ATOM 559 C MET A 34 -9.846 9.214 2.870 1.00 0.00 C ATOM 560 O MET A 34 -9.042 8.829 3.719 1.00 0.00 O ATOM 561 CB MET A 34 -9.475 11.210 1.411 1.00 0.00 C ATOM 562 CG MET A 34 -9.475 12.738 1.358 1.00 0.00 C ATOM 563 SD MET A 34 -8.495 13.301 -0.023 1.00 0.00 S ATOM 564 CE MET A 34 -7.023 13.831 0.835 1.00 0.00 C ATOM 0 H MET A 34 -8.753 11.138 4.210 1.00 0.00 H new ATOM 0 HA MET A 34 -11.217 10.842 2.635 1.00 0.00 H new ATOM 0 HB2 MET A 34 -8.451 10.841 1.356 1.00 0.00 H new ATOM 0 HB3 MET A 34 -10.004 10.812 0.545 1.00 0.00 H new ATOM 0 HG2 MET A 34 -10.496 13.107 1.264 1.00 0.00 H new ATOM 0 HG3 MET A 34 -9.074 13.142 2.288 1.00 0.00 H new ATOM 0 HE1 MET A 34 -6.695 14.791 0.437 1.00 0.00 H new ATOM 0 HE2 MET A 34 -7.239 13.934 1.898 1.00 0.00 H new ATOM 0 HE3 MET A 34 -6.234 13.092 0.695 1.00 0.00 H new ATOM 574 N MET A 35 -10.514 8.415 2.052 1.00 0.00 N ATOM 575 CA MET A 35 -10.337 6.972 2.105 1.00 0.00 C ATOM 576 C MET A 35 -9.470 6.484 0.942 1.00 0.00 C ATOM 577 O MET A 35 -9.811 6.692 -0.222 1.00 0.00 O ATOM 578 CB MET A 35 -11.704 6.288 2.046 1.00 0.00 C ATOM 579 CG MET A 35 -11.777 5.125 3.037 1.00 0.00 C ATOM 580 SD MET A 35 -12.445 5.691 4.593 1.00 0.00 S ATOM 581 CE MET A 35 -14.180 5.375 4.318 1.00 0.00 C ATOM 0 H MET A 35 -11.179 8.738 1.349 1.00 0.00 H new ATOM 0 HA MET A 35 -9.835 6.719 3.039 1.00 0.00 H new ATOM 0 HB2 MET A 35 -12.487 7.012 2.271 1.00 0.00 H new ATOM 0 HB3 MET A 35 -11.889 5.922 1.036 1.00 0.00 H new ATOM 0 HG2 MET A 35 -12.402 4.329 2.631 1.00 0.00 H new ATOM 0 HG3 MET A 35 -10.783 4.704 3.190 1.00 0.00 H new ATOM 0 HE1 MET A 35 -14.748 5.673 5.199 1.00 0.00 H new ATOM 0 HE2 MET A 35 -14.522 5.947 3.455 1.00 0.00 H new ATOM 0 HE3 MET A 35 -14.331 4.312 4.132 1.00 0.00 H new ATOM 591 N THR A 36 -8.365 5.844 1.297 1.00 0.00 N ATOM 592 CA THR A 36 -7.448 5.325 0.298 1.00 0.00 C ATOM 593 C THR A 36 -7.900 3.940 -0.172 1.00 0.00 C ATOM 594 O THR A 36 -8.732 3.304 0.471 1.00 0.00 O ATOM 595 CB THR A 36 -6.041 5.333 0.900 1.00 0.00 C ATOM 596 OG1 THR A 36 -6.166 4.549 2.084 1.00 0.00 O ATOM 597 CG2 THR A 36 -5.630 6.716 1.410 1.00 0.00 C ATOM 0 H THR A 36 -8.085 5.674 2.263 1.00 0.00 H new ATOM 0 HA THR A 36 -7.439 5.950 -0.595 1.00 0.00 H new ATOM 0 HB THR A 36 -5.324 4.995 0.152 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.298 4.500 2.537 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.624 6.666 1.827 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.646 7.428 0.585 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.327 7.041 2.182 1.00 0.00 H new ATOM 605 N THR A 37 -7.329 3.515 -1.290 1.00 0.00 N ATOM 606 CA THR A 37 -7.662 2.218 -1.853 1.00 0.00 C ATOM 607 C THR A 37 -6.412 1.549 -2.427 1.00 0.00 C ATOM 608 O THR A 37 -5.372 2.189 -2.573 1.00 0.00 O ATOM 609 CB THR A 37 -8.771 2.424 -2.889 1.00 0.00 C ATOM 610 OG1 THR A 37 -9.969 2.432 -2.116 1.00 0.00 O ATOM 611 CG2 THR A 37 -8.934 1.219 -3.818 1.00 0.00 C ATOM 0 H THR A 37 -6.638 4.046 -1.820 1.00 0.00 H new ATOM 0 HA THR A 37 -8.034 1.537 -1.087 1.00 0.00 H new ATOM 0 HB THR A 37 -8.555 3.313 -3.482 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.739 2.562 -2.708 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.733 1.416 -4.533 1.00 0.00 H new ATOM 0 HG22 THR A 37 -8.001 1.044 -4.354 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.184 0.337 -3.229 1.00 0.00 H new ATOM 619 N VAL A 38 -6.555 0.268 -2.738 1.00 0.00 N ATOM 620 CA VAL A 38 -5.450 -0.495 -3.291 1.00 0.00 C ATOM 621 C VAL A 38 -5.903 -1.174 -4.584 1.00 0.00 C ATOM 622 O VAL A 38 -6.394 -2.303 -4.558 1.00 0.00 O ATOM 623 CB VAL A 38 -4.922 -1.483 -2.250 1.00 0.00 C ATOM 624 CG1 VAL A 38 -3.702 -2.240 -2.779 1.00 0.00 C ATOM 625 CG2 VAL A 38 -4.597 -0.773 -0.934 1.00 0.00 C ATOM 0 H VAL A 38 -7.420 -0.260 -2.617 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.619 0.164 -3.543 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.709 -2.211 -2.053 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.347 -2.936 -2.018 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.978 -2.794 -3.676 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.910 -1.531 -3.020 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.224 -1.499 -0.212 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.837 -0.012 -1.109 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.499 -0.302 -0.542 1.00 0.00 H new ATOM 635 N SER A 39 -5.724 -0.459 -5.685 1.00 0.00 N ATOM 636 CA SER A 39 -6.111 -0.980 -6.986 1.00 0.00 C ATOM 637 C SER A 39 -4.922 -1.691 -7.637 1.00 0.00 C ATOM 638 O SER A 39 -4.802 -1.713 -8.861 1.00 0.00 O ATOM 639 CB SER A 39 -6.624 0.138 -7.897 1.00 0.00 C ATOM 640 OG SER A 39 -7.906 -0.164 -8.440 1.00 0.00 O ATOM 0 H SER A 39 -5.317 0.476 -5.703 1.00 0.00 H new ATOM 0 HA SER A 39 -6.921 -1.695 -6.842 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.679 1.069 -7.333 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.915 0.299 -8.709 1.00 0.00 H new ATOM 0 HG SER A 39 -8.270 0.632 -8.881 1.00 0.00 H new ATOM 646 N GLY A 40 -4.073 -2.255 -6.791 1.00 0.00 N ATOM 647 CA GLY A 40 -2.899 -2.965 -7.269 1.00 0.00 C ATOM 648 C GLY A 40 -2.054 -3.477 -6.101 1.00 0.00 C ATOM 649 O GLY A 40 -1.946 -2.813 -5.071 1.00 0.00 O ATOM 0 H GLY A 40 -4.175 -2.235 -5.776 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.206 -3.803 -7.895 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.299 -2.303 -7.894 1.00 0.00 H new ATOM 653 N VAL A 41 -1.478 -4.653 -6.299 1.00 0.00 N ATOM 654 CA VAL A 41 -0.647 -5.262 -5.275 1.00 0.00 C ATOM 655 C VAL A 41 0.393 -6.168 -5.939 1.00 0.00 C ATOM 656 O VAL A 41 0.078 -6.889 -6.886 1.00 0.00 O ATOM 657 CB VAL A 41 -1.523 -5.999 -4.260 1.00 0.00 C ATOM 658 CG1 VAL A 41 -2.314 -7.123 -4.933 1.00 0.00 C ATOM 659 CG2 VAL A 41 -0.682 -6.539 -3.101 1.00 0.00 C ATOM 0 H VAL A 41 -1.570 -5.201 -7.154 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.103 -4.498 -4.720 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.237 -5.284 -3.852 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.928 -7.631 -4.190 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.955 -6.703 -5.708 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.623 -7.837 -5.381 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.328 -7.058 -2.394 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.066 -7.232 -3.486 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.183 -5.711 -2.597 1.00 0.00 H new ATOM 669 N GLU A 42 1.608 -6.103 -5.417 1.00 0.00 N ATOM 670 CA GLU A 42 2.694 -6.910 -5.948 1.00 0.00 C ATOM 671 C GLU A 42 3.628 -7.352 -4.819 1.00 0.00 C ATOM 672 O GLU A 42 3.995 -6.550 -3.962 1.00 0.00 O ATOM 673 CB GLU A 42 3.464 -6.148 -7.029 1.00 0.00 C ATOM 674 CG GLU A 42 2.513 -5.331 -7.907 1.00 0.00 C ATOM 675 CD GLU A 42 3.292 -4.434 -8.871 1.00 0.00 C ATOM 676 OE1 GLU A 42 3.322 -3.208 -8.690 1.00 0.00 O ATOM 677 OE2 GLU A 42 3.882 -5.055 -9.837 1.00 0.00 O ATOM 0 H GLU A 42 1.865 -5.504 -4.632 1.00 0.00 H new ATOM 0 HA GLU A 42 2.267 -7.800 -6.410 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.193 -5.486 -6.563 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.022 -6.851 -7.647 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.866 -6.003 -8.472 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.866 -4.720 -7.278 1.00 0.00 H new ATOM 685 N MET A 43 3.984 -8.627 -4.855 1.00 0.00 N ATOM 686 CA MET A 43 4.868 -9.185 -3.845 1.00 0.00 C ATOM 687 C MET A 43 5.864 -10.165 -4.469 1.00 0.00 C ATOM 688 O MET A 43 5.486 -11.259 -4.887 1.00 0.00 O ATOM 689 CB MET A 43 4.036 -9.910 -2.784 1.00 0.00 C ATOM 690 CG MET A 43 2.561 -9.517 -2.880 1.00 0.00 C ATOM 691 SD MET A 43 1.680 -10.094 -1.440 1.00 0.00 S ATOM 692 CE MET A 43 0.722 -8.638 -1.058 1.00 0.00 C ATOM 0 H MET A 43 3.677 -9.290 -5.567 1.00 0.00 H new ATOM 0 HA MET A 43 5.428 -8.369 -3.387 1.00 0.00 H new ATOM 0 HB2 MET A 43 4.138 -10.988 -2.911 1.00 0.00 H new ATOM 0 HB3 MET A 43 4.416 -9.669 -1.791 1.00 0.00 H new ATOM 0 HG2 MET A 43 2.469 -8.434 -2.963 1.00 0.00 H new ATOM 0 HG3 MET A 43 2.120 -9.944 -3.781 1.00 0.00 H new ATOM 0 HE1 MET A 43 0.680 -8.503 0.023 1.00 0.00 H new ATOM 0 HE2 MET A 43 1.189 -7.765 -1.515 1.00 0.00 H new ATOM 0 HE3 MET A 43 -0.289 -8.755 -1.449 1.00 0.00 H new ATOM 702 N SER A 44 7.117 -9.736 -4.514 1.00 0.00 N ATOM 703 CA SER A 44 8.170 -10.562 -5.081 1.00 0.00 C ATOM 704 C SER A 44 9.115 -11.038 -3.974 1.00 0.00 C ATOM 705 O SER A 44 9.897 -10.254 -3.443 1.00 0.00 O ATOM 706 CB SER A 44 8.950 -9.799 -6.153 1.00 0.00 C ATOM 707 OG SER A 44 9.001 -10.513 -7.385 1.00 0.00 O ATOM 0 H SER A 44 7.427 -8.828 -4.167 1.00 0.00 H new ATOM 0 HA SER A 44 7.708 -11.429 -5.554 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.485 -8.827 -6.316 1.00 0.00 H new ATOM 0 HB3 SER A 44 9.964 -9.612 -5.800 1.00 0.00 H new ATOM 0 HG SER A 44 9.227 -9.896 -8.112 1.00 0.00 H new ATOM 713 N ARG A 45 9.007 -12.321 -3.660 1.00 0.00 N ATOM 714 CA ARG A 45 9.841 -12.911 -2.628 1.00 0.00 C ATOM 715 C ARG A 45 11.005 -13.677 -3.259 1.00 0.00 C ATOM 716 O ARG A 45 11.844 -14.232 -2.551 1.00 0.00 O ATOM 717 CB ARG A 45 9.033 -13.863 -1.744 1.00 0.00 C ATOM 718 CG ARG A 45 8.466 -13.130 -0.524 1.00 0.00 C ATOM 719 CD ARG A 45 6.943 -13.252 -0.471 1.00 0.00 C ATOM 720 NE ARG A 45 6.546 -14.677 -0.526 1.00 0.00 N ATOM 721 CZ ARG A 45 5.278 -15.116 -0.389 1.00 0.00 C ATOM 722 NH1 ARG A 45 4.268 -14.242 -0.188 1.00 0.00 N ATOM 723 NH2 ARG A 45 5.037 -16.413 -0.456 1.00 0.00 N ATOM 0 H ARG A 45 8.354 -12.968 -4.103 1.00 0.00 H new ATOM 0 HA ARG A 45 10.227 -12.100 -2.011 1.00 0.00 H new ATOM 0 HB2 ARG A 45 8.218 -14.299 -2.322 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.667 -14.687 -1.416 1.00 0.00 H new ATOM 0 HG2 ARG A 45 8.899 -13.543 0.387 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.749 -12.078 -0.563 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.565 -12.796 0.444 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.497 -12.710 -1.305 1.00 0.00 H new ATOM 0 HE ARG A 45 7.278 -15.371 -0.677 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.461 -13.242 -0.139 1.00 0.00 H new ATOM 0 HH12 ARG A 45 3.312 -14.582 -0.085 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.804 -17.067 -0.609 1.00 0.00 H new ATOM 0 HH22 ARG A 45 4.083 -16.760 -0.354 1.00 0.00 H new ATOM 736 N ASP A 46 11.019 -13.685 -4.583 1.00 0.00 N ATOM 737 CA ASP A 46 12.066 -14.375 -5.318 1.00 0.00 C ATOM 738 C ASP A 46 13.423 -13.772 -4.947 1.00 0.00 C ATOM 739 O ASP A 46 14.464 -14.376 -5.204 1.00 0.00 O ATOM 740 CB ASP A 46 11.874 -14.217 -6.828 1.00 0.00 C ATOM 741 CG ASP A 46 11.385 -15.472 -7.553 1.00 0.00 C ATOM 742 OD1 ASP A 46 11.989 -15.916 -8.540 1.00 0.00 O ATOM 743 OD2 ASP A 46 10.322 -16.007 -7.057 1.00 0.00 O ATOM 0 H ASP A 46 10.321 -13.224 -5.167 1.00 0.00 H new ATOM 0 HA ASP A 46 12.022 -15.433 -5.058 1.00 0.00 H new ATOM 0 HB2 ASP A 46 11.161 -13.412 -7.006 1.00 0.00 H new ATOM 0 HB3 ASP A 46 12.821 -13.907 -7.269 1.00 0.00 H new ATOM 749 N LEU A 47 13.368 -12.592 -4.350 1.00 0.00 N ATOM 750 CA LEU A 47 14.579 -11.903 -3.942 1.00 0.00 C ATOM 751 C LEU A 47 14.317 -11.148 -2.636 1.00 0.00 C ATOM 752 O LEU A 47 14.818 -11.532 -1.581 1.00 0.00 O ATOM 753 CB LEU A 47 15.096 -11.012 -5.073 1.00 0.00 C ATOM 754 CG LEU A 47 16.593 -11.113 -5.375 1.00 0.00 C ATOM 755 CD1 LEU A 47 16.917 -12.417 -6.109 1.00 0.00 C ATOM 756 CD2 LEU A 47 17.082 -9.886 -6.146 1.00 0.00 C ATOM 0 H LEU A 47 12.503 -12.095 -4.139 1.00 0.00 H new ATOM 0 HA LEU A 47 15.375 -12.620 -3.742 1.00 0.00 H new ATOM 0 HB2 LEU A 47 14.545 -11.255 -5.981 1.00 0.00 H new ATOM 0 HB3 LEU A 47 14.864 -9.976 -4.827 1.00 0.00 H new ATOM 0 HG LEU A 47 17.131 -11.133 -4.427 1.00 0.00 H new ATOM 0 HD11 LEU A 47 17.987 -12.464 -6.312 1.00 0.00 H new ATOM 0 HD12 LEU A 47 16.627 -13.265 -5.489 1.00 0.00 H new ATOM 0 HD13 LEU A 47 16.368 -12.451 -7.050 1.00 0.00 H new ATOM 0 HD21 LEU A 47 18.149 -9.984 -6.347 1.00 0.00 H new ATOM 0 HD22 LEU A 47 16.540 -9.809 -7.089 1.00 0.00 H new ATOM 0 HD23 LEU A 47 16.906 -8.989 -5.552 1.00 0.00 H new ATOM 768 N ALA A 48 13.532 -10.086 -2.752 1.00 0.00 N ATOM 769 CA ALA A 48 13.196 -9.274 -1.594 1.00 0.00 C ATOM 770 C ALA A 48 12.719 -7.898 -2.063 1.00 0.00 C ATOM 771 O ALA A 48 13.283 -6.877 -1.675 1.00 0.00 O ATOM 772 CB ALA A 48 14.409 -9.185 -0.665 1.00 0.00 C ATOM 0 H ALA A 48 13.119 -9.769 -3.629 1.00 0.00 H new ATOM 0 HA ALA A 48 12.383 -9.729 -1.028 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.158 -8.576 0.204 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.691 -10.186 -0.338 1.00 0.00 H new ATOM 0 HB3 ALA A 48 15.243 -8.729 -1.199 1.00 0.00 H new ATOM 778 N TYR A 49 11.685 -7.917 -2.890 1.00 0.00 N ATOM 779 CA TYR A 49 11.124 -6.684 -3.416 1.00 0.00 C ATOM 780 C TYR A 49 9.636 -6.849 -3.732 1.00 0.00 C ATOM 781 O TYR A 49 9.230 -7.852 -4.317 1.00 0.00 O ATOM 782 CB TYR A 49 11.881 -6.397 -4.713 1.00 0.00 C ATOM 783 CG TYR A 49 11.675 -7.454 -5.801 1.00 0.00 C ATOM 784 CD1 TYR A 49 12.506 -8.555 -5.858 1.00 0.00 C ATOM 785 CD2 TYR A 49 10.660 -7.307 -6.724 1.00 0.00 C ATOM 786 CE1 TYR A 49 12.312 -9.550 -6.882 1.00 0.00 C ATOM 787 CE2 TYR A 49 10.466 -8.302 -7.746 1.00 0.00 C ATOM 788 CZ TYR A 49 11.302 -9.375 -7.775 1.00 0.00 C ATOM 789 OH TYR A 49 11.120 -10.314 -8.741 1.00 0.00 O ATOM 0 H TYR A 49 11.220 -8.767 -3.209 1.00 0.00 H new ATOM 0 HA TYR A 49 11.220 -5.878 -2.689 1.00 0.00 H new ATOM 0 HB2 TYR A 49 11.566 -5.427 -5.099 1.00 0.00 H new ATOM 0 HB3 TYR A 49 12.946 -6.321 -4.491 1.00 0.00 H new ATOM 0 HD1 TYR A 49 13.301 -8.670 -5.136 1.00 0.00 H new ATOM 0 HD2 TYR A 49 10.011 -6.445 -6.680 1.00 0.00 H new ATOM 0 HE1 TYR A 49 12.955 -10.416 -6.939 1.00 0.00 H new ATOM 0 HE2 TYR A 49 9.674 -8.199 -8.474 1.00 0.00 H new ATOM 0 HH TYR A 49 10.491 -10.994 -8.422 1.00 0.00 H new ATOM 799 N ALA A 50 8.864 -5.849 -3.331 1.00 0.00 N ATOM 800 CA ALA A 50 7.431 -5.871 -3.566 1.00 0.00 C ATOM 801 C ALA A 50 6.956 -4.461 -3.920 1.00 0.00 C ATOM 802 O ALA A 50 7.629 -3.479 -3.614 1.00 0.00 O ATOM 803 CB ALA A 50 6.721 -6.433 -2.331 1.00 0.00 C ATOM 0 H ALA A 50 9.204 -5.019 -2.845 1.00 0.00 H new ATOM 0 HA ALA A 50 7.189 -6.521 -4.406 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.645 -6.450 -2.506 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.073 -7.446 -2.138 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.938 -5.803 -1.468 1.00 0.00 H new ATOM 809 N LYS A 51 5.797 -4.405 -4.562 1.00 0.00 N ATOM 810 CA LYS A 51 5.223 -3.132 -4.962 1.00 0.00 C ATOM 811 C LYS A 51 3.702 -3.191 -4.807 1.00 0.00 C ATOM 812 O LYS A 51 3.044 -4.029 -5.421 1.00 0.00 O ATOM 813 CB LYS A 51 5.683 -2.757 -6.372 1.00 0.00 C ATOM 814 CG LYS A 51 6.732 -3.744 -6.889 1.00 0.00 C ATOM 815 CD LYS A 51 7.263 -3.315 -8.258 1.00 0.00 C ATOM 816 CE LYS A 51 8.147 -2.072 -8.137 1.00 0.00 C ATOM 817 NZ LYS A 51 9.083 -1.989 -9.280 1.00 0.00 N ATOM 0 H LYS A 51 5.241 -5.222 -4.815 1.00 0.00 H new ATOM 0 HA LYS A 51 5.579 -2.333 -4.312 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.827 -2.745 -7.046 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.099 -1.749 -6.367 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.557 -3.808 -6.179 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.295 -4.740 -6.961 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.834 -4.130 -8.703 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.428 -3.108 -8.928 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.525 -1.178 -8.103 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.707 -2.106 -7.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.676 -1.140 -9.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.689 -2.834 -9.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.543 -1.934 -10.167 1.00 0.00 H new ATOM 830 N VAL A 52 3.189 -2.291 -3.982 1.00 0.00 N ATOM 831 CA VAL A 52 1.758 -2.229 -3.737 1.00 0.00 C ATOM 832 C VAL A 52 1.225 -0.866 -4.183 1.00 0.00 C ATOM 833 O VAL A 52 1.840 0.163 -3.911 1.00 0.00 O ATOM 834 CB VAL A 52 1.465 -2.533 -2.266 1.00 0.00 C ATOM 835 CG1 VAL A 52 1.582 -1.269 -1.411 1.00 0.00 C ATOM 836 CG2 VAL A 52 0.088 -3.180 -2.103 1.00 0.00 C ATOM 0 H VAL A 52 3.739 -1.598 -3.474 1.00 0.00 H new ATOM 0 HA VAL A 52 1.238 -2.988 -4.322 1.00 0.00 H new ATOM 0 HB VAL A 52 2.213 -3.245 -1.916 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.369 -1.513 -0.370 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.593 -0.868 -1.490 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.868 -0.524 -1.763 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.095 -3.386 -1.048 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.679 -2.503 -2.479 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.056 -4.113 -2.665 1.00 0.00 H new ATOM 846 N TYR A 53 0.089 -0.906 -4.864 1.00 0.00 N ATOM 847 CA TYR A 53 -0.532 0.314 -5.351 1.00 0.00 C ATOM 848 C TYR A 53 -1.490 0.896 -4.308 1.00 0.00 C ATOM 849 O TYR A 53 -2.126 0.154 -3.562 1.00 0.00 O ATOM 850 CB TYR A 53 -1.330 -0.087 -6.592 1.00 0.00 C ATOM 851 CG TYR A 53 -1.013 0.751 -7.833 1.00 0.00 C ATOM 852 CD1 TYR A 53 -0.575 2.052 -7.696 1.00 0.00 C ATOM 853 CD2 TYR A 53 -1.166 0.204 -9.092 1.00 0.00 C ATOM 854 CE1 TYR A 53 -0.276 2.839 -8.864 1.00 0.00 C ATOM 855 CE2 TYR A 53 -0.867 0.992 -10.260 1.00 0.00 C ATOM 856 CZ TYR A 53 -0.437 2.270 -10.089 1.00 0.00 C ATOM 857 OH TYR A 53 -0.154 3.014 -11.191 1.00 0.00 O ATOM 0 H TYR A 53 -0.417 -1.763 -5.090 1.00 0.00 H new ATOM 0 HA TYR A 53 0.223 1.070 -5.566 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.134 -1.136 -6.814 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.394 -0.002 -6.371 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.456 2.481 -6.712 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.510 -0.814 -9.201 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.068 3.858 -8.770 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -0.982 0.576 -11.250 1.00 0.00 H new ATOM 0 HH TYR A 53 -0.814 3.733 -11.278 1.00 0.00 H new ATOM 867 N VAL A 54 -1.562 2.219 -4.292 1.00 0.00 N ATOM 868 CA VAL A 54 -2.432 2.909 -3.355 1.00 0.00 C ATOM 869 C VAL A 54 -2.969 4.184 -4.006 1.00 0.00 C ATOM 870 O VAL A 54 -2.198 5.065 -4.383 1.00 0.00 O ATOM 871 CB VAL A 54 -1.684 3.175 -2.046 1.00 0.00 C ATOM 872 CG1 VAL A 54 -1.165 1.871 -1.436 1.00 0.00 C ATOM 873 CG2 VAL A 54 -0.544 4.174 -2.260 1.00 0.00 C ATOM 0 H VAL A 54 -1.032 2.831 -4.913 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.291 2.287 -3.103 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.388 3.617 -1.341 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.638 2.088 -0.507 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.004 1.206 -1.230 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.483 1.388 -2.136 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.029 4.346 -1.315 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.160 3.772 -2.989 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.950 5.116 -2.628 1.00 0.00 H new ATOM 883 N THR A 55 -4.288 4.243 -4.120 1.00 0.00 N ATOM 884 CA THR A 55 -4.937 5.396 -4.720 1.00 0.00 C ATOM 885 C THR A 55 -5.629 6.238 -3.645 1.00 0.00 C ATOM 886 O THR A 55 -6.460 5.731 -2.895 1.00 0.00 O ATOM 887 CB THR A 55 -5.891 4.891 -5.804 1.00 0.00 C ATOM 888 OG1 THR A 55 -6.973 5.816 -5.772 1.00 0.00 O ATOM 889 CG2 THR A 55 -6.535 3.551 -5.439 1.00 0.00 C ATOM 0 H THR A 55 -4.925 3.510 -3.807 1.00 0.00 H new ATOM 0 HA THR A 55 -4.210 6.059 -5.190 1.00 0.00 H new ATOM 0 HB THR A 55 -5.350 4.790 -6.745 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.639 5.564 -6.446 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.203 3.238 -6.242 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.758 2.800 -5.299 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.104 3.660 -4.516 1.00 0.00 H new ATOM 897 N PHE A 56 -5.259 7.510 -3.607 1.00 0.00 N ATOM 898 CA PHE A 56 -5.832 8.427 -2.637 1.00 0.00 C ATOM 899 C PHE A 56 -6.656 9.514 -3.331 1.00 0.00 C ATOM 900 O PHE A 56 -6.505 9.741 -4.531 1.00 0.00 O ATOM 901 CB PHE A 56 -4.666 9.083 -1.895 1.00 0.00 C ATOM 902 CG PHE A 56 -3.594 8.096 -1.427 1.00 0.00 C ATOM 903 CD1 PHE A 56 -3.953 6.864 -0.976 1.00 0.00 C ATOM 904 CD2 PHE A 56 -2.281 8.452 -1.463 1.00 0.00 C ATOM 905 CE1 PHE A 56 -2.957 5.950 -0.541 1.00 0.00 C ATOM 906 CE2 PHE A 56 -1.287 7.537 -1.028 1.00 0.00 C ATOM 907 CZ PHE A 56 -1.645 6.304 -0.577 1.00 0.00 C ATOM 0 H PHE A 56 -4.569 7.927 -4.232 1.00 0.00 H new ATOM 0 HA PHE A 56 -6.491 7.886 -1.959 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.204 9.824 -2.548 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.055 9.619 -1.029 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -4.995 6.581 -0.949 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.996 9.430 -1.822 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -3.242 4.972 -0.181 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.245 7.820 -1.055 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.888 5.608 -0.248 1.00 0.00 H new ATOM 917 N LEU A 57 -7.509 10.157 -2.546 1.00 0.00 N ATOM 918 CA LEU A 57 -8.356 11.214 -3.071 1.00 0.00 C ATOM 919 C LEU A 57 -7.694 12.569 -2.808 1.00 0.00 C ATOM 920 O LEU A 57 -8.347 13.609 -2.889 1.00 0.00 O ATOM 921 CB LEU A 57 -9.771 11.100 -2.501 1.00 0.00 C ATOM 922 CG LEU A 57 -10.896 11.634 -3.389 1.00 0.00 C ATOM 923 CD1 LEU A 57 -11.062 10.771 -4.641 1.00 0.00 C ATOM 924 CD2 LEU A 57 -12.202 11.758 -2.602 1.00 0.00 C ATOM 0 H LEU A 57 -7.631 9.966 -1.551 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.464 11.115 -4.151 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -9.971 10.050 -2.286 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.802 11.631 -1.550 1.00 0.00 H new ATOM 0 HG LEU A 57 -10.623 12.635 -3.722 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -11.868 11.172 -5.255 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.134 10.776 -5.212 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -11.303 9.749 -4.349 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.986 12.140 -3.256 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -12.492 10.779 -2.221 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -12.060 12.444 -1.767 1.00 0.00 H new ATOM 936 N ASN A 58 -6.407 12.513 -2.498 1.00 0.00 N ATOM 937 CA ASN A 58 -5.651 13.722 -2.222 1.00 0.00 C ATOM 938 C ASN A 58 -5.676 14.627 -3.455 1.00 0.00 C ATOM 939 O ASN A 58 -5.659 15.851 -3.334 1.00 0.00 O ATOM 940 CB ASN A 58 -4.189 13.398 -1.904 1.00 0.00 C ATOM 941 CG ASN A 58 -3.889 13.621 -0.420 1.00 0.00 C ATOM 942 OD1 ASN A 58 -4.330 14.782 0.052 1.00 0.00 O flip ATOM 943 ND2 ASN A 58 -3.294 12.794 0.250 1.00 0.00 N flip ATOM 0 H ASN A 58 -5.869 11.649 -2.432 1.00 0.00 H new ATOM 0 HA ASN A 58 -6.107 14.215 -1.363 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -3.976 12.363 -2.170 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.534 14.024 -2.509 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -2.982 11.921 -0.176 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.108 12.975 1.236 1.00 0.00 H new ATOM 950 N ASP A 59 -5.718 13.990 -4.617 1.00 0.00 N ATOM 951 CA ASP A 59 -5.746 14.722 -5.872 1.00 0.00 C ATOM 952 C ASP A 59 -6.670 15.934 -5.730 1.00 0.00 C ATOM 953 O ASP A 59 -6.415 16.984 -6.315 1.00 0.00 O ATOM 954 CB ASP A 59 -6.283 13.848 -7.007 1.00 0.00 C ATOM 955 CG ASP A 59 -7.494 12.987 -6.642 1.00 0.00 C ATOM 956 OD1 ASP A 59 -7.353 11.817 -6.255 1.00 0.00 O ATOM 957 OD2 ASP A 59 -8.637 13.571 -6.771 1.00 0.00 O ATOM 0 H ASP A 59 -5.733 12.975 -4.715 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.727 15.031 -6.106 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.553 14.491 -7.845 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.482 13.194 -7.352 1.00 0.00 H new ATOM 963 N LYS A 60 -7.724 15.747 -4.949 1.00 0.00 N ATOM 964 CA LYS A 60 -8.686 16.811 -4.722 1.00 0.00 C ATOM 965 C LYS A 60 -7.940 18.126 -4.491 1.00 0.00 C ATOM 966 O LYS A 60 -8.295 19.154 -5.068 1.00 0.00 O ATOM 967 CB LYS A 60 -9.641 16.437 -3.586 1.00 0.00 C ATOM 968 CG LYS A 60 -10.988 15.965 -4.136 1.00 0.00 C ATOM 969 CD LYS A 60 -11.716 15.081 -3.119 1.00 0.00 C ATOM 970 CE LYS A 60 -12.258 15.915 -1.957 1.00 0.00 C ATOM 971 NZ LYS A 60 -13.508 15.322 -1.433 1.00 0.00 N ATOM 0 H LYS A 60 -7.933 14.874 -4.465 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.314 16.951 -5.602 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.197 15.650 -2.977 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.792 17.298 -2.934 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.607 16.828 -4.382 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.833 15.410 -5.061 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.537 14.557 -3.609 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.034 14.321 -2.739 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.514 15.970 -1.163 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.445 16.936 -2.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -13.863 15.900 -0.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -14.222 15.292 -2.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -13.320 14.356 -1.096 1.00 0.00 H new ATOM 984 N ASP A 61 -6.922 18.052 -3.648 1.00 0.00 N ATOM 985 CA ASP A 61 -6.123 19.225 -3.333 1.00 0.00 C ATOM 986 C ASP A 61 -4.644 18.900 -3.546 1.00 0.00 C ATOM 987 O ASP A 61 -4.117 17.963 -2.945 1.00 0.00 O ATOM 988 CB ASP A 61 -6.311 19.644 -1.874 1.00 0.00 C ATOM 989 CG ASP A 61 -7.722 19.441 -1.319 1.00 0.00 C ATOM 990 OD1 ASP A 61 -8.016 18.421 -0.678 1.00 0.00 O ATOM 991 OD2 ASP A 61 -8.549 20.399 -1.571 1.00 0.00 O ATOM 0 H ASP A 61 -6.631 17.198 -3.172 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.444 20.038 -3.985 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.610 19.082 -1.257 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.047 20.697 -1.777 1.00 0.00 H new ATOM 997 N GLU A 62 -4.013 19.692 -4.400 1.00 0.00 N ATOM 998 CA GLU A 62 -2.605 19.501 -4.698 1.00 0.00 C ATOM 999 C GLU A 62 -1.753 19.820 -3.469 1.00 0.00 C ATOM 1000 O GLU A 62 -0.627 19.340 -3.346 1.00 0.00 O ATOM 1001 CB GLU A 62 -2.177 20.352 -5.896 1.00 0.00 C ATOM 1002 CG GLU A 62 -0.855 19.850 -6.481 1.00 0.00 C ATOM 1003 CD GLU A 62 -0.048 21.004 -7.080 1.00 0.00 C ATOM 1004 OE1 GLU A 62 -0.354 21.464 -8.190 1.00 0.00 O ATOM 1005 OE2 GLU A 62 0.928 21.423 -6.349 1.00 0.00 O ATOM 0 H GLU A 62 -4.452 20.468 -4.895 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.450 18.455 -4.962 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.952 20.324 -6.662 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.071 21.392 -5.588 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.272 19.359 -5.702 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.053 19.103 -7.249 1.00 0.00 H new ATOM 1013 N ASP A 63 -2.323 20.629 -2.587 1.00 0.00 N ATOM 1014 CA ASP A 63 -1.630 21.017 -1.370 1.00 0.00 C ATOM 1015 C ASP A 63 -1.536 19.811 -0.434 1.00 0.00 C ATOM 1016 O ASP A 63 -0.492 19.570 0.171 1.00 0.00 O ATOM 1017 CB ASP A 63 -2.386 22.126 -0.637 1.00 0.00 C ATOM 1018 CG ASP A 63 -1.581 23.404 -0.391 1.00 0.00 C ATOM 1019 OD1 ASP A 63 -1.455 24.260 -1.281 1.00 0.00 O ATOM 1020 OD2 ASP A 63 -1.066 23.506 0.788 1.00 0.00 O ATOM 0 H ASP A 63 -3.257 21.026 -2.691 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.639 21.377 -1.647 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.276 22.380 -1.213 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.727 21.739 0.323 1.00 0.00 H new ATOM 1026 N ALA A 64 -2.640 19.084 -0.345 1.00 0.00 N ATOM 1027 CA ALA A 64 -2.694 17.907 0.507 1.00 0.00 C ATOM 1028 C ALA A 64 -2.037 16.730 -0.214 1.00 0.00 C ATOM 1029 O ALA A 64 -1.656 15.744 0.416 1.00 0.00 O ATOM 1030 CB ALA A 64 -4.148 17.620 0.888 1.00 0.00 C ATOM 0 H ALA A 64 -3.504 19.287 -0.848 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.142 18.076 1.431 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.189 16.738 1.527 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.559 18.475 1.424 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.732 17.442 -0.015 1.00 0.00 H new ATOM 1036 N VAL A 65 -1.922 16.870 -1.527 1.00 0.00 N ATOM 1037 CA VAL A 65 -1.318 15.830 -2.341 1.00 0.00 C ATOM 1038 C VAL A 65 0.199 15.836 -2.125 1.00 0.00 C ATOM 1039 O VAL A 65 0.814 14.781 -1.989 1.00 0.00 O ATOM 1040 CB VAL A 65 -1.713 16.015 -3.807 1.00 0.00 C ATOM 1041 CG1 VAL A 65 -0.527 16.509 -4.637 1.00 0.00 C ATOM 1042 CG2 VAL A 65 -2.288 14.721 -4.387 1.00 0.00 C ATOM 0 H VAL A 65 -2.237 17.689 -2.047 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.686 14.849 -2.041 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.492 16.777 -3.851 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.836 16.632 -5.675 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.182 17.466 -4.245 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.283 15.782 -4.583 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.561 14.880 -5.430 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.541 13.930 -4.324 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.173 14.430 -3.821 1.00 0.00 H new ATOM 1052 N LYS A 66 0.755 17.038 -2.102 1.00 0.00 N ATOM 1053 CA LYS A 66 2.186 17.197 -1.906 1.00 0.00 C ATOM 1054 C LYS A 66 2.522 16.970 -0.432 1.00 0.00 C ATOM 1055 O LYS A 66 3.446 16.226 -0.109 1.00 0.00 O ATOM 1056 CB LYS A 66 2.653 18.551 -2.442 1.00 0.00 C ATOM 1057 CG LYS A 66 3.543 18.376 -3.676 1.00 0.00 C ATOM 1058 CD LYS A 66 3.326 19.514 -4.675 1.00 0.00 C ATOM 1059 CE LYS A 66 3.964 19.184 -6.027 1.00 0.00 C ATOM 1060 NZ LYS A 66 4.964 20.213 -6.392 1.00 0.00 N ATOM 0 H LYS A 66 0.240 17.911 -2.216 1.00 0.00 H new ATOM 0 HA LYS A 66 2.735 16.448 -2.477 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.788 19.163 -2.697 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.202 19.084 -1.666 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.590 18.348 -3.373 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.324 17.421 -4.154 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.258 19.690 -4.806 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.755 20.435 -4.281 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.441 18.205 -5.982 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.193 19.128 -6.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.388 19.975 -7.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.500 21.141 -6.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.708 20.247 -5.666 1.00 0.00 H new ATOM 1073 N ALA A 67 1.755 17.627 0.425 1.00 0.00 N ATOM 1074 CA ALA A 67 1.960 17.507 1.858 1.00 0.00 C ATOM 1075 C ALA A 67 1.650 16.074 2.296 1.00 0.00 C ATOM 1076 O ALA A 67 2.466 15.432 2.956 1.00 0.00 O ATOM 1077 CB ALA A 67 1.095 18.538 2.587 1.00 0.00 C ATOM 0 H ALA A 67 0.990 18.245 0.154 1.00 0.00 H new ATOM 0 HA ALA A 67 2.999 17.713 2.114 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.249 18.447 3.662 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.374 19.541 2.264 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.045 18.361 2.355 1.00 0.00 H new ATOM 1083 N GLY A 68 0.470 15.614 1.909 1.00 0.00 N ATOM 1084 CA GLY A 68 0.041 14.267 2.252 1.00 0.00 C ATOM 1085 C GLY A 68 1.061 13.231 1.777 1.00 0.00 C ATOM 1086 O GLY A 68 1.629 12.497 2.585 1.00 0.00 O ATOM 0 H GLY A 68 -0.203 16.149 1.361 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.089 14.186 3.331 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.929 14.063 1.798 1.00 0.00 H new ATOM 1090 N ILE A 69 1.263 13.202 0.467 1.00 0.00 N ATOM 1091 CA ILE A 69 2.203 12.268 -0.124 1.00 0.00 C ATOM 1092 C ILE A 69 3.559 12.408 0.569 1.00 0.00 C ATOM 1093 O ILE A 69 4.280 11.424 0.736 1.00 0.00 O ATOM 1094 CB ILE A 69 2.266 12.459 -1.642 1.00 0.00 C ATOM 1095 CG1 ILE A 69 2.737 11.181 -2.337 1.00 0.00 C ATOM 1096 CG2 ILE A 69 3.135 13.664 -2.006 1.00 0.00 C ATOM 1097 CD1 ILE A 69 2.107 11.046 -3.725 1.00 0.00 C ATOM 0 H ILE A 69 0.791 13.811 -0.201 1.00 0.00 H new ATOM 0 HA ILE A 69 1.869 11.242 0.032 1.00 0.00 H new ATOM 0 HB ILE A 69 1.259 12.667 -2.003 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.823 11.191 -2.426 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.475 10.315 -1.729 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.164 13.778 -3.090 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.715 14.564 -1.557 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.147 13.510 -1.631 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.459 10.129 -4.197 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.022 11.012 -3.630 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.391 11.901 -4.338 1.00 0.00 H new ATOM 1109 N LYS A 70 3.868 13.637 0.956 1.00 0.00 N ATOM 1110 CA LYS A 70 5.125 13.917 1.627 1.00 0.00 C ATOM 1111 C LYS A 70 5.154 13.188 2.971 1.00 0.00 C ATOM 1112 O LYS A 70 6.206 12.722 3.406 1.00 0.00 O ATOM 1113 CB LYS A 70 5.346 15.427 1.743 1.00 0.00 C ATOM 1114 CG LYS A 70 6.599 15.737 2.563 1.00 0.00 C ATOM 1115 CD LYS A 70 6.392 16.978 3.434 1.00 0.00 C ATOM 1116 CE LYS A 70 6.161 16.590 4.897 1.00 0.00 C ATOM 1117 NZ LYS A 70 6.362 17.760 5.780 1.00 0.00 N ATOM 0 H LYS A 70 3.269 14.450 0.817 1.00 0.00 H new ATOM 0 HA LYS A 70 5.962 13.539 1.040 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.442 15.861 0.748 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.477 15.890 2.211 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.846 14.883 3.194 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.445 15.895 1.895 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.264 17.628 3.360 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.538 17.547 3.066 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.150 16.202 5.021 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.846 15.791 5.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.202 17.480 6.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.335 18.112 5.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.691 18.511 5.520 1.00 0.00 H new ATOM 1130 N ALA A 71 3.985 13.109 3.591 1.00 0.00 N ATOM 1131 CA ALA A 71 3.863 12.443 4.878 1.00 0.00 C ATOM 1132 C ALA A 71 3.944 10.930 4.673 1.00 0.00 C ATOM 1133 O ALA A 71 4.553 10.222 5.474 1.00 0.00 O ATOM 1134 CB ALA A 71 2.560 12.872 5.553 1.00 0.00 C ATOM 0 H ALA A 71 3.114 13.495 3.226 1.00 0.00 H new ATOM 0 HA ALA A 71 4.681 12.730 5.539 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.468 12.373 6.518 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.566 13.952 5.702 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.715 12.598 4.921 1.00 0.00 H new ATOM 1140 N LEU A 72 3.319 10.476 3.595 1.00 0.00 N ATOM 1141 CA LEU A 72 3.312 9.059 3.274 1.00 0.00 C ATOM 1142 C LEU A 72 4.711 8.637 2.818 1.00 0.00 C ATOM 1143 O LEU A 72 5.056 7.459 2.874 1.00 0.00 O ATOM 1144 CB LEU A 72 2.212 8.745 2.258 1.00 0.00 C ATOM 1145 CG LEU A 72 1.371 7.499 2.545 1.00 0.00 C ATOM 1146 CD1 LEU A 72 -0.014 7.883 3.071 1.00 0.00 C ATOM 1147 CD2 LEU A 72 1.287 6.599 1.311 1.00 0.00 C ATOM 0 H LEU A 72 2.814 11.065 2.933 1.00 0.00 H new ATOM 0 HA LEU A 72 3.073 8.469 4.159 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.544 9.604 2.198 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.673 8.630 1.277 1.00 0.00 H new ATOM 0 HG LEU A 72 1.865 6.925 3.329 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.592 6.980 3.267 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.093 8.453 3.994 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.530 8.490 2.327 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.684 5.721 1.542 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.828 7.149 0.490 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.290 6.285 1.021 1.00 0.00 H new ATOM 1159 N GLN A 73 5.476 9.623 2.376 1.00 0.00 N ATOM 1160 CA GLN A 73 6.829 9.369 1.909 1.00 0.00 C ATOM 1161 C GLN A 73 7.782 9.224 3.098 1.00 0.00 C ATOM 1162 O GLN A 73 8.600 8.308 3.134 1.00 0.00 O ATOM 1163 CB GLN A 73 7.299 10.474 0.962 1.00 0.00 C ATOM 1164 CG GLN A 73 8.315 9.935 -0.048 1.00 0.00 C ATOM 1165 CD GLN A 73 9.710 10.504 0.220 1.00 0.00 C ATOM 1166 OE1 GLN A 73 10.514 9.933 0.938 1.00 0.00 O ATOM 1167 NE2 GLN A 73 9.949 11.659 -0.394 1.00 0.00 N ATOM 0 H GLN A 73 5.186 10.600 2.331 1.00 0.00 H new ATOM 0 HA GLN A 73 6.830 8.433 1.351 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.443 10.894 0.434 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.747 11.284 1.537 1.00 0.00 H new ATOM 0 HG2 GLN A 73 8.346 8.847 0.007 1.00 0.00 H new ATOM 0 HG3 GLN A 73 8.001 10.194 -1.059 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.231 12.083 -0.981 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.851 12.121 -0.278 1.00 0.00 H new ATOM 1176 N GLU A 74 7.643 10.145 4.041 1.00 0.00 N ATOM 1177 CA GLU A 74 8.482 10.130 5.228 1.00 0.00 C ATOM 1178 C GLU A 74 8.132 8.932 6.113 1.00 0.00 C ATOM 1179 O GLU A 74 8.980 8.431 6.849 1.00 0.00 O ATOM 1180 CB GLU A 74 8.351 11.441 6.006 1.00 0.00 C ATOM 1181 CG GLU A 74 7.158 11.396 6.964 1.00 0.00 C ATOM 1182 CD GLU A 74 7.583 10.890 8.344 1.00 0.00 C ATOM 1183 OE1 GLU A 74 8.536 11.421 8.932 1.00 0.00 O ATOM 1184 OE2 GLU A 74 6.880 9.910 8.804 1.00 0.00 O ATOM 0 H GLU A 74 6.963 10.905 4.007 1.00 0.00 H new ATOM 0 HA GLU A 74 9.521 10.032 4.913 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.266 11.627 6.568 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.231 12.271 5.309 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.723 12.391 7.056 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.384 10.746 6.557 1.00 0.00 H new ATOM 1192 N ALA A 75 6.881 8.507 6.009 1.00 0.00 N ATOM 1193 CA ALA A 75 6.409 7.377 6.790 1.00 0.00 C ATOM 1194 C ALA A 75 6.517 6.101 5.950 1.00 0.00 C ATOM 1195 O ALA A 75 5.886 5.093 6.264 1.00 0.00 O ATOM 1196 CB ALA A 75 4.979 7.644 7.263 1.00 0.00 C ATOM 0 H ALA A 75 6.181 8.925 5.396 1.00 0.00 H new ATOM 0 HA ALA A 75 7.026 7.241 7.678 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.625 6.796 7.849 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.961 8.543 7.879 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.330 7.784 6.399 1.00 0.00 H new ATOM 1202 N SER A 76 7.321 6.188 4.901 1.00 0.00 N ATOM 1203 CA SER A 76 7.519 5.055 4.014 1.00 0.00 C ATOM 1204 C SER A 76 8.053 3.860 4.805 1.00 0.00 C ATOM 1205 O SER A 76 7.318 2.911 5.074 1.00 0.00 O ATOM 1206 CB SER A 76 8.479 5.408 2.875 1.00 0.00 C ATOM 1207 OG SER A 76 8.954 4.247 2.199 1.00 0.00 O ATOM 0 H SER A 76 7.843 7.026 4.645 1.00 0.00 H new ATOM 0 HA SER A 76 6.557 4.792 3.574 1.00 0.00 H new ATOM 0 HB2 SER A 76 7.973 6.060 2.163 1.00 0.00 H new ATOM 0 HB3 SER A 76 9.325 5.967 3.274 1.00 0.00 H new ATOM 0 HG SER A 76 9.562 4.514 1.478 1.00 0.00 H new ATOM 1213 N GLY A 77 9.327 3.943 5.156 1.00 0.00 N ATOM 1214 CA GLY A 77 9.967 2.880 5.911 1.00 0.00 C ATOM 1215 C GLY A 77 9.118 2.477 7.119 1.00 0.00 C ATOM 1216 O GLY A 77 9.268 1.377 7.649 1.00 0.00 O ATOM 0 H GLY A 77 9.934 4.731 4.931 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.123 2.015 5.267 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.950 3.209 6.247 1.00 0.00 H new ATOM 1220 N PHE A 78 8.246 3.391 7.520 1.00 0.00 N ATOM 1221 CA PHE A 78 7.374 3.145 8.655 1.00 0.00 C ATOM 1222 C PHE A 78 6.284 2.133 8.299 1.00 0.00 C ATOM 1223 O PHE A 78 6.022 1.202 9.062 1.00 0.00 O ATOM 1224 CB PHE A 78 6.717 4.481 9.011 1.00 0.00 C ATOM 1225 CG PHE A 78 7.180 5.064 10.348 1.00 0.00 C ATOM 1226 CD1 PHE A 78 6.966 4.376 11.501 1.00 0.00 C ATOM 1227 CD2 PHE A 78 7.803 6.272 10.382 1.00 0.00 C ATOM 1228 CE1 PHE A 78 7.395 4.918 12.742 1.00 0.00 C ATOM 1229 CE2 PHE A 78 8.234 6.815 11.622 1.00 0.00 C ATOM 1230 CZ PHE A 78 8.019 6.126 12.776 1.00 0.00 C ATOM 0 H PHE A 78 8.125 4.303 7.079 1.00 0.00 H new ATOM 0 HA PHE A 78 7.950 2.740 9.487 1.00 0.00 H new ATOM 0 HB2 PHE A 78 6.928 5.200 8.220 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.636 4.347 9.040 1.00 0.00 H new ATOM 0 HD1 PHE A 78 6.470 3.417 11.473 1.00 0.00 H new ATOM 0 HD2 PHE A 78 7.970 6.819 9.466 1.00 0.00 H new ATOM 0 HE1 PHE A 78 7.226 4.371 13.658 1.00 0.00 H new ATOM 0 HE2 PHE A 78 8.732 7.773 11.649 1.00 0.00 H new ATOM 0 HZ PHE A 78 8.344 6.539 13.719 1.00 0.00 H new ATOM 1240 N ILE A 79 5.677 2.345 7.142 1.00 0.00 N ATOM 1241 CA ILE A 79 4.620 1.463 6.676 1.00 0.00 C ATOM 1242 C ILE A 79 5.215 0.093 6.349 1.00 0.00 C ATOM 1243 O ILE A 79 4.605 -0.937 6.634 1.00 0.00 O ATOM 1244 CB ILE A 79 3.864 2.101 5.509 1.00 0.00 C ATOM 1245 CG1 ILE A 79 4.829 2.536 4.405 1.00 0.00 C ATOM 1246 CG2 ILE A 79 2.986 3.258 5.991 1.00 0.00 C ATOM 1247 CD1 ILE A 79 4.099 2.686 3.067 1.00 0.00 C ATOM 0 H ILE A 79 5.897 3.116 6.512 1.00 0.00 H new ATOM 0 HA ILE A 79 3.877 1.310 7.459 1.00 0.00 H new ATOM 0 HB ILE A 79 3.200 1.350 5.080 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.296 3.483 4.677 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.629 1.803 4.307 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.460 3.694 5.142 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.261 2.887 6.716 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.611 4.018 6.459 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.807 2.996 2.299 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.654 1.731 2.786 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.315 3.438 3.162 1.00 0.00 H new ATOM 1259 N ARG A 80 6.399 0.124 5.754 1.00 0.00 N ATOM 1260 CA ARG A 80 7.084 -1.104 5.384 1.00 0.00 C ATOM 1261 C ARG A 80 7.422 -1.920 6.634 1.00 0.00 C ATOM 1262 O ARG A 80 7.219 -3.133 6.660 1.00 0.00 O ATOM 1263 CB ARG A 80 8.370 -0.806 4.612 1.00 0.00 C ATOM 1264 CG ARG A 80 9.106 -2.099 4.254 1.00 0.00 C ATOM 1265 CD ARG A 80 10.498 -1.800 3.694 1.00 0.00 C ATOM 1266 NE ARG A 80 11.526 -2.064 4.726 1.00 0.00 N ATOM 1267 CZ ARG A 80 12.855 -2.040 4.492 1.00 0.00 C ATOM 1268 NH1 ARG A 80 13.330 -1.764 3.259 1.00 0.00 N ATOM 1269 NH2 ARG A 80 13.685 -2.292 5.488 1.00 0.00 N ATOM 0 H ARG A 80 6.901 0.980 5.519 1.00 0.00 H new ATOM 0 HA ARG A 80 6.415 -1.678 4.742 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.133 -0.254 3.702 1.00 0.00 H new ATOM 0 HB3 ARG A 80 9.019 -0.168 5.212 1.00 0.00 H new ATOM 0 HG2 ARG A 80 9.194 -2.729 5.139 1.00 0.00 H new ATOM 0 HG3 ARG A 80 8.527 -2.660 3.520 1.00 0.00 H new ATOM 0 HD2 ARG A 80 10.686 -2.417 2.815 1.00 0.00 H new ATOM 0 HD3 ARG A 80 10.554 -0.760 3.371 1.00 0.00 H new ATOM 0 HE ARG A 80 11.210 -2.277 5.672 1.00 0.00 H new ATOM 0 HH11 ARG A 80 12.683 -1.571 2.495 1.00 0.00 H new ATOM 0 HH12 ARG A 80 14.336 -1.748 3.092 1.00 0.00 H new ATOM 0 HH21 ARG A 80 13.319 -2.501 6.417 1.00 0.00 H new ATOM 0 HH22 ARG A 80 14.692 -2.278 5.328 1.00 0.00 H new ATOM 1282 N SER A 81 7.934 -1.221 7.637 1.00 0.00 N ATOM 1283 CA SER A 81 8.304 -1.865 8.885 1.00 0.00 C ATOM 1284 C SER A 81 7.046 -2.285 9.650 1.00 0.00 C ATOM 1285 O SER A 81 7.027 -3.331 10.296 1.00 0.00 O ATOM 1286 CB SER A 81 9.166 -0.942 9.747 1.00 0.00 C ATOM 1287 OG SER A 81 10.552 -1.062 9.437 1.00 0.00 O ATOM 0 H SER A 81 8.101 -0.215 7.610 1.00 0.00 H new ATOM 0 HA SER A 81 8.893 -2.752 8.651 1.00 0.00 H new ATOM 0 HB2 SER A 81 8.850 0.091 9.600 1.00 0.00 H new ATOM 0 HB3 SER A 81 9.008 -1.177 10.800 1.00 0.00 H new ATOM 0 HG SER A 81 11.069 -0.455 10.008 1.00 0.00 H new ATOM 1293 N LEU A 82 6.026 -1.444 9.552 1.00 0.00 N ATOM 1294 CA LEU A 82 4.768 -1.715 10.226 1.00 0.00 C ATOM 1295 C LEU A 82 4.207 -3.052 9.736 1.00 0.00 C ATOM 1296 O LEU A 82 3.707 -3.847 10.530 1.00 0.00 O ATOM 1297 CB LEU A 82 3.802 -0.542 10.048 1.00 0.00 C ATOM 1298 CG LEU A 82 2.590 -0.524 10.982 1.00 0.00 C ATOM 1299 CD1 LEU A 82 2.299 -1.923 11.531 1.00 0.00 C ATOM 1300 CD2 LEU A 82 2.773 0.505 12.100 1.00 0.00 C ATOM 0 H LEU A 82 6.046 -0.576 9.017 1.00 0.00 H new ATOM 0 HA LEU A 82 4.925 -1.810 11.300 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.358 0.385 10.188 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.443 -0.546 9.019 1.00 0.00 H new ATOM 0 HG LEU A 82 1.718 -0.218 10.404 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.433 -1.882 12.192 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.092 -2.603 10.704 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.164 -2.282 12.089 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.897 0.497 12.749 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.659 0.255 12.683 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.893 1.497 11.665 1.00 0.00 H new ATOM 1312 N LEU A 83 4.311 -3.258 8.432 1.00 0.00 N ATOM 1313 CA LEU A 83 3.821 -4.485 7.827 1.00 0.00 C ATOM 1314 C LEU A 83 4.675 -5.661 8.306 1.00 0.00 C ATOM 1315 O LEU A 83 4.185 -6.544 9.007 1.00 0.00 O ATOM 1316 CB LEU A 83 3.764 -4.345 6.304 1.00 0.00 C ATOM 1317 CG LEU A 83 2.990 -3.140 5.769 1.00 0.00 C ATOM 1318 CD1 LEU A 83 3.705 -2.515 4.570 1.00 0.00 C ATOM 1319 CD2 LEU A 83 1.544 -3.519 5.440 1.00 0.00 C ATOM 0 H LEU A 83 4.727 -2.596 7.777 1.00 0.00 H new ATOM 0 HA LEU A 83 2.797 -4.685 8.144 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.785 -4.293 5.926 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.317 -5.250 5.892 1.00 0.00 H new ATOM 0 HG LEU A 83 2.955 -2.383 6.552 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.132 -1.660 4.210 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.699 -2.185 4.871 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.794 -3.254 3.774 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.016 -2.644 5.061 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.537 -4.303 4.683 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.049 -3.880 6.341 1.00 0.00 H new ATOM 1331 N GLY A 84 5.939 -5.633 7.907 1.00 0.00 N ATOM 1332 CA GLY A 84 6.865 -6.687 8.286 1.00 0.00 C ATOM 1333 C GLY A 84 6.651 -7.108 9.741 1.00 0.00 C ATOM 1334 O GLY A 84 6.509 -8.295 10.033 1.00 0.00 O ATOM 0 H GLY A 84 6.343 -4.898 7.326 1.00 0.00 H new ATOM 0 HA2 GLY A 84 6.730 -7.548 7.631 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.890 -6.342 8.151 1.00 0.00 H new ATOM 1338 N LYS A 85 6.634 -6.113 10.617 1.00 0.00 N ATOM 1339 CA LYS A 85 6.440 -6.366 12.034 1.00 0.00 C ATOM 1340 C LYS A 85 5.006 -6.844 12.269 1.00 0.00 C ATOM 1341 O LYS A 85 4.772 -7.741 13.078 1.00 0.00 O ATOM 1342 CB LYS A 85 6.819 -5.131 12.855 1.00 0.00 C ATOM 1343 CG LYS A 85 8.277 -5.206 13.313 1.00 0.00 C ATOM 1344 CD LYS A 85 9.166 -4.300 12.459 1.00 0.00 C ATOM 1345 CE LYS A 85 9.426 -2.966 13.159 1.00 0.00 C ATOM 1346 NZ LYS A 85 10.521 -3.101 14.146 1.00 0.00 N ATOM 0 H LYS A 85 6.752 -5.130 10.372 1.00 0.00 H new ATOM 0 HA LYS A 85 7.102 -7.162 12.374 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.667 -4.232 12.258 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.165 -5.052 13.723 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.349 -4.910 14.360 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.630 -6.235 13.247 1.00 0.00 H new ATOM 0 HD2 LYS A 85 10.114 -4.800 12.258 1.00 0.00 H new ATOM 0 HD3 LYS A 85 8.689 -4.122 11.495 1.00 0.00 H new ATOM 0 HE2 LYS A 85 9.685 -2.206 12.421 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.518 -2.628 13.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.684 -2.185 14.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 10.259 -3.811 14.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 11.390 -3.402 13.661 1.00 0.00 H new ATOM 1359 N ALA A 86 4.083 -6.224 11.548 1.00 0.00 N ATOM 1360 CA ALA A 86 2.678 -6.575 11.669 1.00 0.00 C ATOM 1361 C ALA A 86 2.493 -8.049 11.307 1.00 0.00 C ATOM 1362 O ALA A 86 1.606 -8.716 11.838 1.00 0.00 O ATOM 1363 CB ALA A 86 1.841 -5.647 10.785 1.00 0.00 C ATOM 0 H ALA A 86 4.281 -5.481 10.878 1.00 0.00 H new ATOM 0 HA ALA A 86 2.336 -6.442 12.695 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.787 -5.911 10.876 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.985 -4.614 11.102 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.153 -5.754 9.746 1.00 0.00 H new ATOM 1369 N MET A 87 3.344 -8.516 10.406 1.00 0.00 N ATOM 1370 CA MET A 87 3.285 -9.900 9.967 1.00 0.00 C ATOM 1371 C MET A 87 4.529 -10.671 10.412 1.00 0.00 C ATOM 1372 O MET A 87 4.776 -11.782 9.947 1.00 0.00 O ATOM 1373 CB MET A 87 3.175 -9.946 8.441 1.00 0.00 C ATOM 1374 CG MET A 87 2.201 -8.884 7.928 1.00 0.00 C ATOM 1375 SD MET A 87 3.034 -7.792 6.788 1.00 0.00 S ATOM 1376 CE MET A 87 2.034 -8.045 5.331 1.00 0.00 C ATOM 0 H MET A 87 4.079 -7.961 9.968 1.00 0.00 H new ATOM 0 HA MET A 87 2.410 -10.368 10.419 1.00 0.00 H new ATOM 0 HB2 MET A 87 4.158 -9.787 7.997 1.00 0.00 H new ATOM 0 HB3 MET A 87 2.839 -10.934 8.127 1.00 0.00 H new ATOM 0 HG2 MET A 87 1.355 -9.363 7.434 1.00 0.00 H new ATOM 0 HG3 MET A 87 1.800 -8.312 8.765 1.00 0.00 H new ATOM 0 HE1 MET A 87 2.550 -7.639 4.461 1.00 0.00 H new ATOM 0 HE2 MET A 87 1.864 -9.112 5.187 1.00 0.00 H new ATOM 0 HE3 MET A 87 1.077 -7.539 5.454 1.00 0.00 H new ATOM 1386 N ARG A 88 5.282 -10.048 11.309 1.00 0.00 N ATOM 1387 CA ARG A 88 6.495 -10.661 11.822 1.00 0.00 C ATOM 1388 C ARG A 88 7.013 -11.717 10.842 1.00 0.00 C ATOM 1389 O ARG A 88 6.883 -12.914 11.088 1.00 0.00 O ATOM 1390 CB ARG A 88 6.246 -11.318 13.182 1.00 0.00 C ATOM 1391 CG ARG A 88 6.328 -10.288 14.310 1.00 0.00 C ATOM 1392 CD ARG A 88 6.982 -10.889 15.556 1.00 0.00 C ATOM 1393 NE ARG A 88 7.237 -9.828 16.556 1.00 0.00 N ATOM 1394 CZ ARG A 88 7.807 -10.045 17.761 1.00 0.00 C ATOM 1395 NH1 ARG A 88 8.184 -11.289 18.127 1.00 0.00 N ATOM 1396 NH2 ARG A 88 7.988 -9.022 18.576 1.00 0.00 N ATOM 0 H ARG A 88 5.075 -9.126 11.693 1.00 0.00 H new ATOM 0 HA ARG A 88 7.240 -9.874 11.940 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.264 -11.791 13.187 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.980 -12.106 13.350 1.00 0.00 H new ATOM 0 HG2 ARG A 88 6.901 -9.423 13.976 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.327 -9.932 14.556 1.00 0.00 H new ATOM 0 HD2 ARG A 88 6.334 -11.655 15.983 1.00 0.00 H new ATOM 0 HD3 ARG A 88 7.918 -11.378 15.286 1.00 0.00 H new ATOM 0 HE ARG A 88 6.965 -8.873 16.320 1.00 0.00 H new ATOM 0 HH11 ARG A 88 8.039 -12.074 17.491 1.00 0.00 H new ATOM 0 HH12 ARG A 88 8.614 -11.444 19.039 1.00 0.00 H new ATOM 0 HH21 ARG A 88 7.699 -8.086 18.292 1.00 0.00 H new ATOM 0 HH22 ARG A 88 8.417 -9.168 19.490 1.00 0.00 H new ATOM 1409 N LEU A 89 7.589 -11.233 9.753 1.00 0.00 N ATOM 1410 CA LEU A 89 8.127 -12.118 8.734 1.00 0.00 C ATOM 1411 C LEU A 89 9.651 -11.986 8.703 1.00 0.00 C ATOM 1412 O LEU A 89 10.268 -11.638 9.709 1.00 0.00 O ATOM 1413 CB LEU A 89 7.459 -11.850 7.384 1.00 0.00 C ATOM 1414 CG LEU A 89 6.927 -13.079 6.644 1.00 0.00 C ATOM 1415 CD1 LEU A 89 5.709 -13.665 7.361 1.00 0.00 C ATOM 1416 CD2 LEU A 89 6.628 -12.750 5.179 1.00 0.00 C ATOM 0 H LEU A 89 7.695 -10.238 9.553 1.00 0.00 H new ATOM 0 HA LEU A 89 7.901 -13.157 8.974 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.631 -11.159 7.541 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.178 -11.345 6.739 1.00 0.00 H new ATOM 0 HG LEU A 89 7.703 -13.845 6.650 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.350 -14.537 6.815 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.989 -13.960 8.372 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.919 -12.916 7.407 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.251 -13.640 4.676 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.878 -11.960 5.129 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.541 -12.415 4.688 1.00 0.00 H new ATOM 1428 N ARG A 90 10.215 -12.271 7.538 1.00 0.00 N ATOM 1429 CA ARG A 90 11.654 -12.189 7.363 1.00 0.00 C ATOM 1430 C ARG A 90 11.990 -11.657 5.968 1.00 0.00 C ATOM 1431 O ARG A 90 12.835 -10.775 5.823 1.00 0.00 O ATOM 1432 CB ARG A 90 12.312 -13.557 7.553 1.00 0.00 C ATOM 1433 CG ARG A 90 11.335 -14.686 7.218 1.00 0.00 C ATOM 1434 CD ARG A 90 12.082 -15.946 6.776 1.00 0.00 C ATOM 1435 NE ARG A 90 12.866 -15.665 5.553 1.00 0.00 N ATOM 1436 CZ ARG A 90 13.594 -16.591 4.891 1.00 0.00 C ATOM 1437 NH1 ARG A 90 13.642 -17.866 5.332 1.00 0.00 N ATOM 1438 NH2 ARG A 90 14.255 -16.231 3.808 1.00 0.00 N ATOM 0 H ARG A 90 9.700 -12.559 6.706 1.00 0.00 H new ATOM 0 HA ARG A 90 12.041 -11.506 8.119 1.00 0.00 H new ATOM 0 HB2 ARG A 90 13.193 -13.633 6.916 1.00 0.00 H new ATOM 0 HB3 ARG A 90 12.654 -13.660 8.583 1.00 0.00 H new ATOM 0 HG2 ARG A 90 10.721 -14.910 8.090 1.00 0.00 H new ATOM 0 HG3 ARG A 90 10.659 -14.363 6.426 1.00 0.00 H new ATOM 0 HD2 ARG A 90 12.744 -16.285 7.573 1.00 0.00 H new ATOM 0 HD3 ARG A 90 11.373 -16.752 6.587 1.00 0.00 H new ATOM 0 HE ARG A 90 12.856 -14.713 5.187 1.00 0.00 H new ATOM 0 HH11 ARG A 90 13.127 -18.136 6.170 1.00 0.00 H new ATOM 0 HH12 ARG A 90 14.194 -18.560 4.827 1.00 0.00 H new ATOM 0 HH21 ARG A 90 14.212 -15.266 3.482 1.00 0.00 H new ATOM 0 HH22 ARG A 90 14.809 -16.918 3.297 1.00 0.00 H new ATOM 1451 N ILE A 91 11.312 -12.217 4.978 1.00 0.00 N ATOM 1452 CA ILE A 91 11.528 -11.811 3.599 1.00 0.00 C ATOM 1453 C ILE A 91 11.704 -10.293 3.541 1.00 0.00 C ATOM 1454 O ILE A 91 12.453 -9.783 2.709 1.00 0.00 O ATOM 1455 CB ILE A 91 10.401 -12.334 2.706 1.00 0.00 C ATOM 1456 CG1 ILE A 91 9.038 -12.143 3.371 1.00 0.00 C ATOM 1457 CG2 ILE A 91 10.648 -13.792 2.309 1.00 0.00 C ATOM 1458 CD1 ILE A 91 8.008 -11.614 2.371 1.00 0.00 C ATOM 0 H ILE A 91 10.612 -12.949 5.103 1.00 0.00 H new ATOM 0 HA ILE A 91 12.445 -12.253 3.210 1.00 0.00 H new ATOM 0 HB ILE A 91 10.394 -11.747 1.788 1.00 0.00 H new ATOM 0 HG12 ILE A 91 8.695 -13.092 3.784 1.00 0.00 H new ATOM 0 HG13 ILE A 91 9.131 -11.447 4.205 1.00 0.00 H new ATOM 0 HG21 ILE A 91 9.833 -14.139 1.675 1.00 0.00 H new ATOM 0 HG22 ILE A 91 11.589 -13.866 1.764 1.00 0.00 H new ATOM 0 HG23 ILE A 91 10.699 -14.410 3.206 1.00 0.00 H new ATOM 0 HD11 ILE A 91 7.048 -11.487 2.871 1.00 0.00 H new ATOM 0 HD12 ILE A 91 8.342 -10.654 1.978 1.00 0.00 H new ATOM 0 HD13 ILE A 91 7.900 -12.324 1.551 1.00 0.00 H new ATOM 1470 N VAL A 92 11.003 -9.612 4.437 1.00 0.00 N ATOM 1471 CA VAL A 92 11.073 -8.163 4.497 1.00 0.00 C ATOM 1472 C VAL A 92 11.516 -7.620 3.137 1.00 0.00 C ATOM 1473 O VAL A 92 12.563 -6.985 3.030 1.00 0.00 O ATOM 1474 CB VAL A 92 11.993 -7.731 5.641 1.00 0.00 C ATOM 1475 CG1 VAL A 92 11.963 -6.212 5.825 1.00 0.00 C ATOM 1476 CG2 VAL A 92 11.624 -8.448 6.942 1.00 0.00 C ATOM 0 H VAL A 92 10.384 -10.038 5.127 1.00 0.00 H new ATOM 0 HA VAL A 92 10.090 -7.742 4.710 1.00 0.00 H new ATOM 0 HB VAL A 92 13.011 -8.017 5.378 1.00 0.00 H new ATOM 0 HG11 VAL A 92 12.625 -5.932 6.644 1.00 0.00 H new ATOM 0 HG12 VAL A 92 12.296 -5.728 4.907 1.00 0.00 H new ATOM 0 HG13 VAL A 92 10.946 -5.893 6.055 1.00 0.00 H new ATOM 0 HG21 VAL A 92 12.293 -8.123 7.739 1.00 0.00 H new ATOM 0 HG22 VAL A 92 10.595 -8.207 7.211 1.00 0.00 H new ATOM 0 HG23 VAL A 92 11.720 -9.525 6.804 1.00 0.00 H new ATOM 1486 N PRO A 93 10.674 -7.898 2.106 1.00 0.00 N ATOM 1487 CA PRO A 93 10.969 -7.445 0.756 1.00 0.00 C ATOM 1488 C PRO A 93 10.705 -5.945 0.613 1.00 0.00 C ATOM 1489 O PRO A 93 9.942 -5.368 1.386 1.00 0.00 O ATOM 1490 CB PRO A 93 10.084 -8.292 -0.144 1.00 0.00 C ATOM 1491 CG PRO A 93 8.997 -8.859 0.753 1.00 0.00 C ATOM 1492 CD PRO A 93 9.425 -8.648 2.195 1.00 0.00 C ATOM 0 HA PRO A 93 12.019 -7.568 0.490 1.00 0.00 H new ATOM 0 HB2 PRO A 93 9.655 -7.692 -0.946 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.657 -9.090 -0.615 1.00 0.00 H new ATOM 0 HG2 PRO A 93 8.046 -8.362 0.561 1.00 0.00 H new ATOM 0 HG3 PRO A 93 8.849 -9.920 0.550 1.00 0.00 H new ATOM 0 HD2 PRO A 93 8.671 -8.095 2.755 1.00 0.00 H new ATOM 0 HD3 PRO A 93 9.570 -9.599 2.708 1.00 0.00 H new ATOM 1500 N GLU A 94 11.351 -5.356 -0.383 1.00 0.00 N ATOM 1501 CA GLU A 94 11.197 -3.935 -0.639 1.00 0.00 C ATOM 1502 C GLU A 94 9.773 -3.631 -1.108 1.00 0.00 C ATOM 1503 O GLU A 94 9.573 -3.112 -2.204 1.00 0.00 O ATOM 1504 CB GLU A 94 12.225 -3.445 -1.660 1.00 0.00 C ATOM 1505 CG GLU A 94 13.016 -2.254 -1.115 1.00 0.00 C ATOM 1506 CD GLU A 94 14.178 -1.897 -2.043 1.00 0.00 C ATOM 1507 OE1 GLU A 94 13.952 -1.442 -3.174 1.00 0.00 O ATOM 1508 OE2 GLU A 94 15.352 -2.107 -1.550 1.00 0.00 O ATOM 0 H GLU A 94 11.983 -5.838 -1.022 1.00 0.00 H new ATOM 0 HA GLU A 94 11.375 -3.398 0.293 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.909 -4.256 -1.911 1.00 0.00 H new ATOM 0 HB3 GLU A 94 11.719 -3.159 -2.582 1.00 0.00 H new ATOM 0 HG2 GLU A 94 12.356 -1.394 -1.006 1.00 0.00 H new ATOM 0 HG3 GLU A 94 13.398 -2.491 -0.122 1.00 0.00 H new ATOM 1516 N LEU A 95 8.817 -3.967 -0.253 1.00 0.00 N ATOM 1517 CA LEU A 95 7.417 -3.738 -0.566 1.00 0.00 C ATOM 1518 C LEU A 95 7.135 -2.235 -0.548 1.00 0.00 C ATOM 1519 O LEU A 95 6.784 -1.678 0.491 1.00 0.00 O ATOM 1520 CB LEU A 95 6.519 -4.545 0.374 1.00 0.00 C ATOM 1521 CG LEU A 95 5.139 -4.916 -0.173 1.00 0.00 C ATOM 1522 CD1 LEU A 95 4.911 -6.428 -0.103 1.00 0.00 C ATOM 1523 CD2 LEU A 95 4.037 -4.137 0.546 1.00 0.00 C ATOM 0 H LEU A 95 8.985 -4.396 0.657 1.00 0.00 H new ATOM 0 HA LEU A 95 7.187 -4.093 -1.571 1.00 0.00 H new ATOM 0 HB2 LEU A 95 7.040 -5.464 0.643 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.383 -3.975 1.293 1.00 0.00 H new ATOM 0 HG LEU A 95 5.100 -4.632 -1.225 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.923 -6.666 -0.498 1.00 0.00 H new ATOM 0 HD12 LEU A 95 5.671 -6.938 -0.695 1.00 0.00 H new ATOM 0 HD13 LEU A 95 4.977 -6.758 0.934 1.00 0.00 H new ATOM 0 HD21 LEU A 95 3.066 -4.419 0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 95 4.064 -4.367 1.611 1.00 0.00 H new ATOM 0 HD23 LEU A 95 4.194 -3.068 0.402 1.00 0.00 H new ATOM 1535 N THR A 96 7.299 -1.619 -1.710 1.00 0.00 N ATOM 1536 CA THR A 96 7.067 -0.191 -1.840 1.00 0.00 C ATOM 1537 C THR A 96 5.577 0.090 -2.043 1.00 0.00 C ATOM 1538 O THR A 96 4.802 -0.822 -2.326 1.00 0.00 O ATOM 1539 CB THR A 96 7.943 0.329 -2.983 1.00 0.00 C ATOM 1540 OG1 THR A 96 8.110 1.713 -2.689 1.00 0.00 O ATOM 1541 CG2 THR A 96 7.218 0.316 -4.329 1.00 0.00 C ATOM 0 H THR A 96 7.590 -2.084 -2.570 1.00 0.00 H new ATOM 0 HA THR A 96 7.346 0.339 -0.929 1.00 0.00 H new ATOM 0 HB THR A 96 8.846 -0.277 -3.053 1.00 0.00 H new ATOM 0 HG1 THR A 96 8.668 2.129 -3.379 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.884 0.694 -5.105 1.00 0.00 H new ATOM 0 HG22 THR A 96 6.920 -0.704 -4.572 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.332 0.948 -4.271 1.00 0.00 H new ATOM 1549 N PHE A 97 5.221 1.357 -1.888 1.00 0.00 N ATOM 1550 CA PHE A 97 3.837 1.770 -2.051 1.00 0.00 C ATOM 1551 C PHE A 97 3.718 2.899 -3.077 1.00 0.00 C ATOM 1552 O PHE A 97 4.154 4.021 -2.822 1.00 0.00 O ATOM 1553 CB PHE A 97 3.360 2.281 -0.689 1.00 0.00 C ATOM 1554 CG PHE A 97 4.041 3.574 -0.237 1.00 0.00 C ATOM 1555 CD1 PHE A 97 5.337 3.552 0.176 1.00 0.00 C ATOM 1556 CD2 PHE A 97 3.352 4.747 -0.248 1.00 0.00 C ATOM 1557 CE1 PHE A 97 5.970 4.751 0.595 1.00 0.00 C ATOM 1558 CE2 PHE A 97 3.984 5.946 0.172 1.00 0.00 C ATOM 1559 CZ PHE A 97 5.279 5.924 0.584 1.00 0.00 C ATOM 0 H PHE A 97 5.866 2.111 -1.651 1.00 0.00 H new ATOM 0 HA PHE A 97 3.237 0.931 -2.404 1.00 0.00 H new ATOM 0 HB2 PHE A 97 2.283 2.445 -0.731 1.00 0.00 H new ATOM 0 HB3 PHE A 97 3.536 1.509 0.060 1.00 0.00 H new ATOM 0 HD1 PHE A 97 5.885 2.621 0.185 1.00 0.00 H new ATOM 0 HD2 PHE A 97 2.323 4.766 -0.577 1.00 0.00 H new ATOM 0 HE1 PHE A 97 6.999 4.733 0.922 1.00 0.00 H new ATOM 0 HE2 PHE A 97 3.436 6.876 0.164 1.00 0.00 H new ATOM 0 HZ PHE A 97 5.760 6.837 0.903 1.00 0.00 H new ATOM 1569 N PHE A 98 3.124 2.563 -4.212 1.00 0.00 N ATOM 1570 CA PHE A 98 2.943 3.535 -5.277 1.00 0.00 C ATOM 1571 C PHE A 98 1.627 4.295 -5.108 1.00 0.00 C ATOM 1572 O PHE A 98 0.550 3.708 -5.208 1.00 0.00 O ATOM 1573 CB PHE A 98 2.902 2.754 -6.592 1.00 0.00 C ATOM 1574 CG PHE A 98 4.102 3.012 -7.507 1.00 0.00 C ATOM 1575 CD1 PHE A 98 5.360 2.733 -7.073 1.00 0.00 C ATOM 1576 CD2 PHE A 98 3.910 3.521 -8.754 1.00 0.00 C ATOM 1577 CE1 PHE A 98 6.474 2.974 -7.921 1.00 0.00 C ATOM 1578 CE2 PHE A 98 5.023 3.761 -9.602 1.00 0.00 C ATOM 1579 CZ PHE A 98 6.282 3.482 -9.168 1.00 0.00 C ATOM 0 H PHE A 98 2.762 1.632 -4.418 1.00 0.00 H new ATOM 0 HA PHE A 98 3.755 4.262 -5.260 1.00 0.00 H new ATOM 0 HB2 PHE A 98 2.851 1.688 -6.368 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.988 3.011 -7.127 1.00 0.00 H new ATOM 0 HD1 PHE A 98 5.512 2.328 -6.083 1.00 0.00 H new ATOM 0 HD2 PHE A 98 2.911 3.743 -9.099 1.00 0.00 H new ATOM 0 HE1 PHE A 98 7.473 2.754 -7.576 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.870 4.165 -10.592 1.00 0.00 H new ATOM 0 HZ PHE A 98 7.129 3.664 -9.813 1.00 0.00 H new ATOM 1589 N TYR A 99 1.755 5.587 -4.854 1.00 0.00 N ATOM 1590 CA TYR A 99 0.588 6.434 -4.670 1.00 0.00 C ATOM 1591 C TYR A 99 0.073 6.959 -6.012 1.00 0.00 C ATOM 1592 O TYR A 99 0.709 7.808 -6.635 1.00 0.00 O ATOM 1593 CB TYR A 99 1.054 7.616 -3.818 1.00 0.00 C ATOM 1594 CG TYR A 99 2.573 7.717 -3.671 1.00 0.00 C ATOM 1595 CD1 TYR A 99 3.335 8.220 -4.705 1.00 0.00 C ATOM 1596 CD2 TYR A 99 3.183 7.303 -2.503 1.00 0.00 C ATOM 1597 CE1 TYR A 99 4.766 8.315 -4.568 1.00 0.00 C ATOM 1598 CE2 TYR A 99 4.614 7.397 -2.366 1.00 0.00 C ATOM 1599 CZ TYR A 99 5.333 7.898 -3.405 1.00 0.00 C ATOM 1600 OH TYR A 99 6.685 7.988 -3.275 1.00 0.00 O ATOM 0 H TYR A 99 2.650 6.070 -4.771 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.221 5.874 -4.201 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.680 8.539 -4.261 1.00 0.00 H new ATOM 0 HB3 TYR A 99 0.608 7.534 -2.827 1.00 0.00 H new ATOM 0 HD1 TYR A 99 2.858 8.543 -5.619 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.587 6.909 -1.693 1.00 0.00 H new ATOM 0 HE1 TYR A 99 5.374 8.708 -5.370 1.00 0.00 H new ATOM 0 HE2 TYR A 99 5.104 7.077 -1.459 1.00 0.00 H new ATOM 0 HH TYR A 99 6.952 7.656 -2.393 1.00 0.00 H new ATOM 1610 N ASP A 100 -1.073 6.433 -6.416 1.00 0.00 N ATOM 1611 CA ASP A 100 -1.680 6.838 -7.673 1.00 0.00 C ATOM 1612 C ASP A 100 -2.997 7.564 -7.388 1.00 0.00 C ATOM 1613 O ASP A 100 -4.029 6.928 -7.186 1.00 0.00 O ATOM 1614 CB ASP A 100 -1.991 5.624 -8.550 1.00 0.00 C ATOM 1615 CG ASP A 100 -1.458 5.708 -9.982 1.00 0.00 C ATOM 1616 OD1 ASP A 100 -1.950 5.019 -10.888 1.00 0.00 O ATOM 1617 OD2 ASP A 100 -0.481 6.533 -10.153 1.00 0.00 O ATOM 0 H ASP A 100 -1.598 5.730 -5.896 1.00 0.00 H new ATOM 0 HA ASP A 100 -0.977 7.489 -8.193 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -1.575 4.735 -8.075 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -3.072 5.489 -8.588 1.00 0.00 H new ATOM 1623 N ASN A 101 -2.915 8.886 -7.379 1.00 0.00 N ATOM 1624 CA ASN A 101 -4.087 9.707 -7.122 1.00 0.00 C ATOM 1625 C ASN A 101 -4.628 10.244 -8.448 1.00 0.00 C ATOM 1626 O ASN A 101 -4.090 9.941 -9.512 1.00 0.00 O ATOM 1627 CB ASN A 101 -3.738 10.902 -6.234 1.00 0.00 C ATOM 1628 CG ASN A 101 -2.539 10.589 -5.336 1.00 0.00 C ATOM 1629 OD1 ASN A 101 -2.484 9.569 -4.666 1.00 0.00 O ATOM 1630 ND2 ASN A 101 -1.589 11.517 -5.359 1.00 0.00 N ATOM 0 H ASN A 101 -2.056 9.410 -7.545 1.00 0.00 H new ATOM 0 HA ASN A 101 -4.829 9.088 -6.617 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -3.514 11.768 -6.856 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -4.598 11.165 -5.619 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -0.748 11.400 -4.793 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -1.700 12.346 -5.943 1.00 0.00 H new ATOM 1637 N SER A 102 -5.687 11.034 -8.341 1.00 0.00 N ATOM 1638 CA SER A 102 -6.308 11.616 -9.519 1.00 0.00 C ATOM 1639 C SER A 102 -5.508 12.836 -9.981 1.00 0.00 C ATOM 1640 O SER A 102 -5.940 13.562 -10.877 1.00 0.00 O ATOM 1641 CB SER A 102 -7.760 12.009 -9.239 1.00 0.00 C ATOM 1642 OG SER A 102 -7.919 13.419 -9.119 1.00 0.00 O ATOM 0 H SER A 102 -6.130 11.284 -7.457 1.00 0.00 H new ATOM 0 HA SER A 102 -6.309 10.867 -10.311 1.00 0.00 H new ATOM 0 HB2 SER A 102 -8.397 11.640 -10.043 1.00 0.00 H new ATOM 0 HB3 SER A 102 -8.095 11.527 -8.320 1.00 0.00 H new ATOM 0 HG SER A 102 -8.671 13.614 -8.522 1.00 0.00 H new ATOM 1648 N LEU A 103 -4.359 13.025 -9.352 1.00 0.00 N ATOM 1649 CA LEU A 103 -3.495 14.143 -9.688 1.00 0.00 C ATOM 1650 C LEU A 103 -2.497 13.708 -10.761 1.00 0.00 C ATOM 1651 O LEU A 103 -1.633 14.486 -11.166 1.00 0.00 O ATOM 1652 CB LEU A 103 -2.836 14.710 -8.429 1.00 0.00 C ATOM 1653 CG LEU A 103 -2.063 16.018 -8.606 1.00 0.00 C ATOM 1654 CD1 LEU A 103 -2.878 17.210 -8.099 1.00 0.00 C ATOM 1655 CD2 LEU A 103 -0.688 15.938 -7.937 1.00 0.00 C ATOM 0 H LEU A 103 -4.005 12.421 -8.610 1.00 0.00 H new ATOM 0 HA LEU A 103 -4.080 14.961 -10.109 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.610 14.868 -7.678 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -2.154 13.959 -8.031 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.894 16.173 -9.672 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.305 18.127 -8.237 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -3.811 17.277 -8.659 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -3.099 17.076 -7.040 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -0.159 16.881 -8.078 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -0.813 15.748 -6.871 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.112 15.129 -8.385 1.00 0.00 H new ATOM 1667 N VAL A 104 -2.646 12.465 -11.194 1.00 0.00 N ATOM 1668 CA VAL A 104 -1.768 11.915 -12.213 1.00 0.00 C ATOM 1669 C VAL A 104 -2.598 11.110 -13.215 1.00 0.00 C ATOM 1670 O VAL A 104 -2.047 10.447 -14.092 1.00 0.00 O ATOM 1671 CB VAL A 104 -0.658 11.091 -11.558 1.00 0.00 C ATOM 1672 CG1 VAL A 104 -0.427 9.782 -12.317 1.00 0.00 C ATOM 1673 CG2 VAL A 104 0.636 11.901 -11.454 1.00 0.00 C ATOM 0 H VAL A 104 -3.363 11.822 -10.857 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.277 12.715 -12.766 1.00 0.00 H new ATOM 0 HB VAL A 104 -0.978 10.840 -10.547 1.00 0.00 H new ATOM 0 HG11 VAL A 104 0.367 9.215 -11.831 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -1.345 9.194 -12.317 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -0.138 10.003 -13.344 1.00 0.00 H new ATOM 0 HG21 VAL A 104 1.409 11.293 -10.985 1.00 0.00 H new ATOM 0 HG22 VAL A 104 0.962 12.196 -12.451 1.00 0.00 H new ATOM 0 HG23 VAL A 104 0.460 12.792 -10.851 1.00 0.00 H new ATOM 1683 N GLU A 105 -3.910 11.194 -13.053 1.00 0.00 N ATOM 1684 CA GLU A 105 -4.821 10.482 -13.931 1.00 0.00 C ATOM 1685 C GLU A 105 -6.159 11.219 -14.018 1.00 0.00 C ATOM 1686 O GLU A 105 -6.777 11.269 -15.082 1.00 0.00 O ATOM 1687 CB GLU A 105 -5.018 9.039 -13.464 1.00 0.00 C ATOM 1688 CG GLU A 105 -4.121 8.081 -14.250 1.00 0.00 C ATOM 1689 CD GLU A 105 -4.247 6.651 -13.719 1.00 0.00 C ATOM 1690 OE1 GLU A 105 -4.293 6.446 -12.496 1.00 0.00 O ATOM 1691 OE2 GLU A 105 -4.301 5.735 -14.625 1.00 0.00 O ATOM 0 H GLU A 105 -4.364 11.746 -12.325 1.00 0.00 H new ATOM 0 HA GLU A 105 -4.382 10.449 -14.928 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -4.793 8.963 -12.400 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -6.062 8.751 -13.590 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -4.393 8.106 -15.305 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -3.084 8.409 -14.180 1.00 0.00 H new ATOM 1699 N GLY A 106 -6.571 11.771 -12.885 1.00 0.00 N ATOM 1700 CA GLY A 106 -7.824 12.502 -12.820 1.00 0.00 C ATOM 1701 C GLY A 106 -8.973 11.581 -12.410 1.00 0.00 C ATOM 1702 O GLY A 106 -10.019 12.049 -11.959 1.00 0.00 O ATOM 0 H GLY A 106 -6.058 11.726 -12.005 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -7.736 13.320 -12.105 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -8.040 12.949 -13.791 1.00 0.00 H new ATOM 1706 N MET A 107 -8.745 10.287 -12.583 1.00 0.00 N ATOM 1707 CA MET A 107 -9.750 9.296 -12.237 1.00 0.00 C ATOM 1708 C MET A 107 -9.296 8.447 -11.048 1.00 0.00 C ATOM 1709 O MET A 107 -9.824 7.360 -10.819 1.00 0.00 O ATOM 1710 CB MET A 107 -10.008 8.388 -13.442 1.00 0.00 C ATOM 1711 CG MET A 107 -8.907 7.335 -13.582 1.00 0.00 C ATOM 1712 SD MET A 107 -8.475 7.128 -15.301 1.00 0.00 S ATOM 1713 CE MET A 107 -7.401 8.535 -15.524 1.00 0.00 C ATOM 0 H MET A 107 -7.878 9.902 -12.959 1.00 0.00 H new ATOM 0 HA MET A 107 -10.666 9.817 -11.960 1.00 0.00 H new ATOM 0 HB2 MET A 107 -10.974 7.896 -13.331 1.00 0.00 H new ATOM 0 HB3 MET A 107 -10.059 8.989 -14.350 1.00 0.00 H new ATOM 0 HG2 MET A 107 -8.029 7.637 -13.012 1.00 0.00 H new ATOM 0 HG3 MET A 107 -9.245 6.386 -13.167 1.00 0.00 H new ATOM 0 HE1 MET A 107 -7.731 9.111 -16.389 1.00 0.00 H new ATOM 0 HE2 MET A 107 -7.436 9.164 -14.634 1.00 0.00 H new ATOM 0 HE3 MET A 107 -6.379 8.191 -15.685 1.00 0.00 H new ATOM 1723 N ARG A 108 -8.322 8.976 -10.321 1.00 0.00 N ATOM 1724 CA ARG A 108 -7.792 8.282 -9.160 1.00 0.00 C ATOM 1725 C ARG A 108 -7.863 9.183 -7.925 1.00 0.00 C ATOM 1726 O ARG A 108 -8.451 8.807 -6.913 1.00 0.00 O ATOM 1727 CB ARG A 108 -6.341 7.854 -9.391 1.00 0.00 C ATOM 1728 CG ARG A 108 -6.268 6.640 -10.317 1.00 0.00 C ATOM 1729 CD ARG A 108 -7.338 5.607 -9.955 1.00 0.00 C ATOM 1730 NE ARG A 108 -6.890 4.253 -10.352 1.00 0.00 N ATOM 1731 CZ ARG A 108 -7.699 3.174 -10.405 1.00 0.00 C ATOM 1732 NH1 ARG A 108 -9.007 3.281 -10.085 1.00 0.00 N ATOM 1733 NH2 ARG A 108 -7.193 2.012 -10.774 1.00 0.00 N ATOM 0 H ARG A 108 -7.886 9.878 -10.514 1.00 0.00 H new ATOM 0 HA ARG A 108 -8.400 7.392 -8.998 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -5.779 8.681 -9.825 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -5.872 7.616 -8.436 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -6.401 6.959 -11.351 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -5.280 6.185 -10.248 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -7.534 5.634 -8.883 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -8.275 5.851 -10.456 1.00 0.00 H new ATOM 0 HE ARG A 108 -5.909 4.128 -10.601 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -9.390 4.182 -9.801 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -9.611 2.460 -10.128 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -6.204 1.939 -11.014 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -7.791 1.187 -10.819 1.00 0.00 H new TER 1746 ARG A 108