USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 833 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 49 TYR OH : rot 180:sc= 0.721 USER MOD Set 1.2: A 100 LYS NZ :NH3+ 157:sc= 0.551 (180deg=-1.35) USER MOD Set 2.1: A 32 CYS SG : rot 177:sc= 0.629 USER MOD Set 2.2: A 35 CYS SG : rot 70:sc= -0.525 USER MOD Set 3.1: A 8 THR OG1 : rot 146:sc= 2.15 USER MOD Set 3.2: A 11 SER OG : rot -86:sc= 2.1 USER MOD Set 4.1: A 1 SER N :NH3+ -123:sc= 0.821 (180deg=-0.0768) USER MOD Set 4.2: A 1 SER OG : rot -93:sc= 1.26 USER MOD Set 4.3: A 6 HIS : no HE2:sc= 1.8 K(o=3.9,f=-5.2!) USER MOD Set 4.4: A 57 LYS NZ :NH3+ -179:sc= -0.03 (180deg=-0.0453) USER MOD Single : A 3 LYS NZ :NH3+ 153:sc= 0.885 (180deg=0.335) USER MOD Single : A 14 THR OG1 : rot -25:sc= 0.309 USER MOD Single : A 18 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.069) USER MOD Single : A 36 LYS NZ :NH3+ 160:sc= -0.239 (180deg=-0.71) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 1.03 K(o=1,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.0647 K(o=0.065,f=-11!) USER MOD Single : A 62 GLN : amide:sc= 0.716 K(o=0.72,f=0) USER MOD Single : A 63 ASN : amide:sc= 1.14 K(o=1.1,f=-6.6!) USER MOD Single : A 66 THR OG1 : rot -67:sc= 1.28 USER MOD Single : A 69 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0329) USER MOD Single : A 70 TYR OH : rot 180:sc= -0.142 USER MOD Single : A 77 THR OG1 : rot -58:sc= 1.25 USER MOD Single : A 82 LYS NZ :NH3+ -165:sc= 1.17 (180deg=1) USER MOD Single : A 83 ASN : amide:sc= 0.618 X(o=0.62,f=0.4) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.0873 USER MOD Single : A 90 LYS NZ :NH3+ 155:sc= 0.565 (180deg=-0.0469) USER MOD Single : A 95 SER OG : rot -93:sc= 0.0601 USER MOD Single : A 96 LYS NZ :NH3+ -177:sc= 1.18 (180deg=1.16) USER MOD Single : A 98 GLN : amide:sc= -0.0793 X(o=-0.079,f=-0.032) USER MOD Single : A 106 ASN : amide:sc= 0.516 K(o=0.52,f=-4.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -10.799 -6.881 -6.416 1.00 0.00 N ATOM 2 CA SER A 1 -11.517 -6.012 -5.497 1.00 0.00 C ATOM 3 C SER A 1 -12.536 -5.154 -6.245 1.00 0.00 C ATOM 4 O SER A 1 -13.678 -5.017 -5.815 1.00 0.00 O ATOM 5 CB SER A 1 -10.519 -5.143 -4.716 1.00 0.00 C ATOM 6 OG SER A 1 -9.638 -4.436 -5.576 1.00 0.00 O ATOM 0 H1 SER A 1 -10.916 -7.871 -6.121 1.00 0.00 H new ATOM 0 H2 SER A 1 -11.178 -6.759 -7.377 1.00 0.00 H new ATOM 0 H3 SER A 1 -9.789 -6.635 -6.409 1.00 0.00 H new ATOM 0 HA SER A 1 -12.069 -6.626 -4.786 1.00 0.00 H new ATOM 0 HB2 SER A 1 -11.066 -4.433 -4.095 1.00 0.00 H new ATOM 0 HB3 SER A 1 -9.939 -5.774 -4.043 1.00 0.00 H new ATOM 0 HG SER A 1 -8.822 -4.961 -5.712 1.00 0.00 H new ATOM 12 N ASP A 2 -12.096 -4.564 -7.357 1.00 0.00 N ATOM 13 CA ASP A 2 -12.863 -3.663 -8.201 1.00 0.00 C ATOM 14 C ASP A 2 -12.091 -3.497 -9.514 1.00 0.00 C ATOM 15 O ASP A 2 -11.535 -4.473 -10.011 1.00 0.00 O ATOM 16 CB ASP A 2 -13.111 -2.338 -7.459 1.00 0.00 C ATOM 17 CG ASP A 2 -11.818 -1.584 -7.176 1.00 0.00 C ATOM 18 OD1 ASP A 2 -10.981 -2.143 -6.434 1.00 0.00 O ATOM 19 OD2 ASP A 2 -11.678 -0.483 -7.749 1.00 0.00 O ATOM 0 H ASP A 2 -11.149 -4.712 -7.706 1.00 0.00 H new ATOM 0 HA ASP A 2 -13.851 -4.060 -8.435 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -13.773 -1.709 -8.054 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -13.624 -2.541 -6.519 1.00 0.00 H new ATOM 24 N LYS A 3 -11.975 -2.279 -10.056 1.00 0.00 N ATOM 25 CA LYS A 3 -11.234 -2.004 -11.276 1.00 0.00 C ATOM 26 C LYS A 3 -9.748 -1.884 -10.930 1.00 0.00 C ATOM 27 O LYS A 3 -9.112 -0.880 -11.240 1.00 0.00 O ATOM 28 CB LYS A 3 -11.768 -0.711 -11.911 1.00 0.00 C ATOM 29 CG LYS A 3 -13.285 -0.753 -12.142 1.00 0.00 C ATOM 30 CD LYS A 3 -13.708 0.503 -12.912 1.00 0.00 C ATOM 31 CE LYS A 3 -15.225 0.601 -13.105 1.00 0.00 C ATOM 32 NZ LYS A 3 -15.938 0.693 -11.817 1.00 0.00 N ATOM 0 H LYS A 3 -12.403 -1.449 -9.647 1.00 0.00 H new ATOM 0 HA LYS A 3 -11.360 -2.812 -11.997 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -11.525 0.134 -11.266 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -11.263 -0.542 -12.862 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -13.556 -1.647 -12.703 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -13.810 -0.804 -11.188 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -13.357 1.386 -12.378 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -13.222 0.506 -13.887 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -15.458 1.476 -13.712 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -15.578 -0.272 -13.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -16.838 1.197 -11.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -16.128 -0.264 -11.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -15.352 1.211 -11.132 1.00 0.00 H new ATOM 46 N ILE A 4 -9.203 -2.911 -10.275 1.00 0.00 N ATOM 47 CA ILE A 4 -7.818 -2.959 -9.843 1.00 0.00 C ATOM 48 C ILE A 4 -7.175 -4.222 -10.403 1.00 0.00 C ATOM 49 O ILE A 4 -7.798 -5.281 -10.419 1.00 0.00 O ATOM 50 CB ILE A 4 -7.735 -2.900 -8.304 1.00 0.00 C ATOM 51 CG1 ILE A 4 -8.059 -1.469 -7.838 1.00 0.00 C ATOM 52 CG2 ILE A 4 -6.350 -3.312 -7.790 1.00 0.00 C ATOM 53 CD1 ILE A 4 -7.854 -1.241 -6.340 1.00 0.00 C ATOM 0 H ILE A 4 -9.730 -3.748 -10.028 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.272 -2.095 -10.223 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.459 -3.606 -7.896 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -7.434 -0.768 -8.391 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -9.094 -1.241 -8.091 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.335 -3.256 -6.702 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -6.134 -4.333 -8.104 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -5.596 -2.640 -8.198 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -8.103 -0.209 -6.092 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -8.499 -1.916 -5.778 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -6.813 -1.435 -6.082 1.00 0.00 H new ATOM 65 N ILE A 5 -5.918 -4.117 -10.841 1.00 0.00 N ATOM 66 CA ILE A 5 -5.177 -5.258 -11.355 1.00 0.00 C ATOM 67 C ILE A 5 -4.493 -5.960 -10.175 1.00 0.00 C ATOM 68 O ILE A 5 -3.489 -5.480 -9.647 1.00 0.00 O ATOM 69 CB ILE A 5 -4.171 -4.813 -12.433 1.00 0.00 C ATOM 70 CG1 ILE A 5 -4.771 -3.850 -13.474 1.00 0.00 C ATOM 71 CG2 ILE A 5 -3.559 -6.041 -13.123 1.00 0.00 C ATOM 72 CD1 ILE A 5 -6.004 -4.390 -14.207 1.00 0.00 C ATOM 0 H ILE A 5 -5.393 -3.242 -10.847 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.852 -5.963 -11.839 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.391 -4.252 -11.918 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.040 -2.919 -12.976 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.004 -3.608 -14.210 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.849 -5.715 -13.883 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.043 -6.654 -12.384 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.350 -6.627 -13.592 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.358 -3.646 -14.920 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.740 -5.304 -14.738 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -6.792 -4.605 -13.485 1.00 0.00 H new ATOM 84 N HIS A 6 -5.011 -7.108 -9.738 1.00 0.00 N ATOM 85 CA HIS A 6 -4.382 -7.848 -8.653 1.00 0.00 C ATOM 86 C HIS A 6 -3.198 -8.617 -9.242 1.00 0.00 C ATOM 87 O HIS A 6 -3.314 -9.795 -9.573 1.00 0.00 O ATOM 88 CB HIS A 6 -5.394 -8.735 -7.925 1.00 0.00 C ATOM 89 CG HIS A 6 -6.282 -7.932 -7.005 1.00 0.00 C ATOM 90 ND1 HIS A 6 -6.166 -7.863 -5.629 1.00 0.00 N ATOM 91 CD2 HIS A 6 -7.264 -7.062 -7.388 1.00 0.00 C ATOM 92 CE1 HIS A 6 -7.082 -6.983 -5.184 1.00 0.00 C ATOM 93 NE2 HIS A 6 -7.756 -6.482 -6.235 1.00 0.00 N ATOM 0 H HIS A 6 -5.855 -7.539 -10.116 1.00 0.00 H new ATOM 0 HA HIS A 6 -4.007 -7.173 -7.884 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -6.008 -9.261 -8.656 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -4.864 -9.494 -7.349 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -5.505 -8.385 -5.054 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -7.592 -6.866 -8.398 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -7.249 -6.721 -4.150 1.00 0.00 H new ATOM 102 N LEU A 7 -2.080 -7.912 -9.424 1.00 0.00 N ATOM 103 CA LEU A 7 -0.881 -8.436 -10.060 1.00 0.00 C ATOM 104 C LEU A 7 -0.241 -9.581 -9.284 1.00 0.00 C ATOM 105 O LEU A 7 -0.462 -9.761 -8.086 1.00 0.00 O ATOM 106 CB LEU A 7 0.170 -7.328 -10.180 1.00 0.00 C ATOM 107 CG LEU A 7 -0.180 -6.212 -11.163 1.00 0.00 C ATOM 108 CD1 LEU A 7 0.790 -5.058 -10.910 1.00 0.00 C ATOM 109 CD2 LEU A 7 -0.038 -6.675 -12.613 1.00 0.00 C ATOM 0 H LEU A 7 -1.986 -6.941 -9.125 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.197 -8.809 -11.034 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.327 -6.888 -9.195 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.116 -7.776 -10.484 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.216 -5.910 -11.012 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.569 -4.240 -11.596 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.681 -4.709 -9.883 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.812 -5.400 -11.070 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.295 -5.855 -13.284 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.991 -6.985 -12.797 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.708 -7.515 -12.794 1.00 0.00 H new ATOM 121 N THR A 8 0.628 -10.297 -9.993 1.00 0.00 N ATOM 122 CA THR A 8 1.469 -11.357 -9.488 1.00 0.00 C ATOM 123 C THR A 8 2.844 -11.169 -10.138 1.00 0.00 C ATOM 124 O THR A 8 2.978 -10.423 -11.109 1.00 0.00 O ATOM 125 CB THR A 8 0.865 -12.728 -9.818 1.00 0.00 C ATOM 126 OG1 THR A 8 0.876 -12.929 -11.218 1.00 0.00 O ATOM 127 CG2 THR A 8 -0.570 -12.875 -9.305 1.00 0.00 C ATOM 0 H THR A 8 0.765 -10.137 -10.991 1.00 0.00 H new ATOM 0 HA THR A 8 1.556 -11.316 -8.402 1.00 0.00 H new ATOM 0 HB THR A 8 1.477 -13.477 -9.316 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.030 -13.877 -11.411 1.00 0.00 H new ATOM 0 HG21 THR A 8 -0.950 -13.863 -9.565 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.583 -12.755 -8.222 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.200 -12.112 -9.763 1.00 0.00 H new ATOM 135 N ASP A 9 3.868 -11.842 -9.617 1.00 0.00 N ATOM 136 CA ASP A 9 5.228 -11.750 -10.122 1.00 0.00 C ATOM 137 C ASP A 9 5.280 -12.079 -11.617 1.00 0.00 C ATOM 138 O ASP A 9 5.880 -11.347 -12.400 1.00 0.00 O ATOM 139 CB ASP A 9 6.122 -12.688 -9.304 1.00 0.00 C ATOM 140 CG ASP A 9 7.593 -12.473 -9.644 1.00 0.00 C ATOM 141 OD1 ASP A 9 8.186 -11.558 -9.028 1.00 0.00 O ATOM 142 OD2 ASP A 9 8.096 -13.223 -10.506 1.00 0.00 O ATOM 0 H ASP A 9 3.771 -12.474 -8.822 1.00 0.00 H new ATOM 0 HA ASP A 9 5.593 -10.729 -10.013 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.961 -12.514 -8.240 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.847 -13.724 -9.502 1.00 0.00 H new ATOM 147 N ASP A 10 4.627 -13.177 -12.006 1.00 0.00 N ATOM 148 CA ASP A 10 4.583 -13.628 -13.392 1.00 0.00 C ATOM 149 C ASP A 10 3.872 -12.631 -14.311 1.00 0.00 C ATOM 150 O ASP A 10 4.303 -12.429 -15.444 1.00 0.00 O ATOM 151 CB ASP A 10 3.936 -15.016 -13.486 1.00 0.00 C ATOM 152 CG ASP A 10 2.477 -15.022 -13.047 1.00 0.00 C ATOM 153 OD1 ASP A 10 2.258 -15.126 -11.819 1.00 0.00 O ATOM 154 OD2 ASP A 10 1.607 -14.893 -13.932 1.00 0.00 O ATOM 0 H ASP A 10 4.113 -13.778 -11.362 1.00 0.00 H new ATOM 0 HA ASP A 10 5.614 -13.695 -13.740 1.00 0.00 H new ATOM 0 HB2 ASP A 10 4.002 -15.373 -14.514 1.00 0.00 H new ATOM 0 HB3 ASP A 10 4.499 -15.716 -12.868 1.00 0.00 H new ATOM 159 N SER A 11 2.791 -12.004 -13.840 1.00 0.00 N ATOM 160 CA SER A 11 2.030 -11.078 -14.670 1.00 0.00 C ATOM 161 C SER A 11 2.745 -9.728 -14.760 1.00 0.00 C ATOM 162 O SER A 11 2.666 -9.064 -15.793 1.00 0.00 O ATOM 163 CB SER A 11 0.601 -10.934 -14.138 1.00 0.00 C ATOM 164 OG SER A 11 0.585 -10.659 -12.751 1.00 0.00 O ATOM 0 H SER A 11 2.428 -12.122 -12.894 1.00 0.00 H new ATOM 0 HA SER A 11 1.964 -11.480 -15.681 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.092 -10.133 -14.674 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.046 -11.851 -14.334 1.00 0.00 H new ATOM 0 HG SER A 11 0.626 -11.500 -12.250 1.00 0.00 H new ATOM 170 N PHE A 12 3.447 -9.336 -13.693 1.00 0.00 N ATOM 171 CA PHE A 12 4.213 -8.100 -13.570 1.00 0.00 C ATOM 172 C PHE A 12 4.910 -7.684 -14.872 1.00 0.00 C ATOM 173 O PHE A 12 4.817 -6.534 -15.303 1.00 0.00 O ATOM 174 CB PHE A 12 5.249 -8.269 -12.451 1.00 0.00 C ATOM 175 CG PHE A 12 5.692 -6.963 -11.838 1.00 0.00 C ATOM 176 CD1 PHE A 12 6.740 -6.222 -12.408 1.00 0.00 C ATOM 177 CD2 PHE A 12 5.017 -6.471 -10.709 1.00 0.00 C ATOM 178 CE1 PHE A 12 7.100 -4.984 -11.852 1.00 0.00 C ATOM 179 CE2 PHE A 12 5.435 -5.279 -10.103 1.00 0.00 C ATOM 180 CZ PHE A 12 6.479 -4.534 -10.676 1.00 0.00 C ATOM 0 H PHE A 12 3.497 -9.906 -12.848 1.00 0.00 H new ATOM 0 HA PHE A 12 3.510 -7.302 -13.333 1.00 0.00 H new ATOM 0 HB2 PHE A 12 4.829 -8.903 -11.671 1.00 0.00 H new ATOM 0 HB3 PHE A 12 6.121 -8.788 -12.849 1.00 0.00 H new ATOM 0 HD1 PHE A 12 7.267 -6.603 -13.270 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.174 -7.013 -10.307 1.00 0.00 H new ATOM 0 HE1 PHE A 12 7.855 -4.377 -12.329 1.00 0.00 H new ATOM 0 HE2 PHE A 12 4.956 -4.934 -9.198 1.00 0.00 H new ATOM 0 HZ PHE A 12 6.804 -3.615 -10.212 1.00 0.00 H new ATOM 190 N ASP A 13 5.612 -8.626 -15.505 1.00 0.00 N ATOM 191 CA ASP A 13 6.312 -8.387 -16.759 1.00 0.00 C ATOM 192 C ASP A 13 5.399 -7.705 -17.780 1.00 0.00 C ATOM 193 O ASP A 13 5.634 -6.579 -18.213 1.00 0.00 O ATOM 194 CB ASP A 13 6.835 -9.721 -17.313 1.00 0.00 C ATOM 195 CG ASP A 13 7.282 -9.589 -18.767 1.00 0.00 C ATOM 196 OD1 ASP A 13 8.427 -9.131 -18.969 1.00 0.00 O ATOM 197 OD2 ASP A 13 6.461 -9.925 -19.651 1.00 0.00 O ATOM 0 H ASP A 13 5.709 -9.580 -15.156 1.00 0.00 H new ATOM 0 HA ASP A 13 7.152 -7.718 -16.569 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.671 -10.066 -16.705 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.054 -10.478 -17.239 1.00 0.00 H new ATOM 202 N THR A 14 4.363 -8.421 -18.198 1.00 0.00 N ATOM 203 CA THR A 14 3.477 -7.960 -19.242 1.00 0.00 C ATOM 204 C THR A 14 2.580 -6.825 -18.756 1.00 0.00 C ATOM 205 O THR A 14 2.386 -5.836 -19.458 1.00 0.00 O ATOM 206 CB THR A 14 2.685 -9.172 -19.750 1.00 0.00 C ATOM 207 OG1 THR A 14 3.538 -10.305 -19.782 1.00 0.00 O ATOM 208 CG2 THR A 14 2.118 -8.928 -21.150 1.00 0.00 C ATOM 0 H THR A 14 4.119 -9.336 -17.819 1.00 0.00 H new ATOM 0 HA THR A 14 4.048 -7.535 -20.068 1.00 0.00 H new ATOM 0 HB THR A 14 1.849 -9.341 -19.071 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.468 -10.012 -19.877 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.564 -9.808 -21.476 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.451 -8.066 -21.127 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.935 -8.736 -21.845 1.00 0.00 H new ATOM 216 N ASP A 15 2.006 -6.985 -17.564 1.00 0.00 N ATOM 217 CA ASP A 15 1.035 -6.050 -17.024 1.00 0.00 C ATOM 218 C ASP A 15 1.630 -4.752 -16.486 1.00 0.00 C ATOM 219 O ASP A 15 0.890 -3.780 -16.379 1.00 0.00 O ATOM 220 CB ASP A 15 0.174 -6.739 -15.963 1.00 0.00 C ATOM 221 CG ASP A 15 -0.727 -7.823 -16.548 1.00 0.00 C ATOM 222 OD1 ASP A 15 -0.181 -8.883 -16.923 1.00 0.00 O ATOM 223 OD2 ASP A 15 -1.951 -7.574 -16.604 1.00 0.00 O ATOM 0 H ASP A 15 2.206 -7.772 -16.947 1.00 0.00 H new ATOM 0 HA ASP A 15 0.415 -5.746 -17.867 1.00 0.00 H new ATOM 0 HB2 ASP A 15 0.822 -7.181 -15.206 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.442 -5.993 -15.460 1.00 0.00 H new ATOM 228 N VAL A 16 2.918 -4.715 -16.130 1.00 0.00 N ATOM 229 CA VAL A 16 3.568 -3.506 -15.630 1.00 0.00 C ATOM 230 C VAL A 16 4.738 -3.134 -16.532 1.00 0.00 C ATOM 231 O VAL A 16 4.738 -2.061 -17.133 1.00 0.00 O ATOM 232 CB VAL A 16 4.022 -3.653 -14.164 1.00 0.00 C ATOM 233 CG1 VAL A 16 4.621 -2.340 -13.641 1.00 0.00 C ATOM 234 CG2 VAL A 16 2.847 -4.036 -13.264 1.00 0.00 C ATOM 0 H VAL A 16 3.537 -5.524 -16.182 1.00 0.00 H new ATOM 0 HA VAL A 16 2.835 -2.700 -15.650 1.00 0.00 H new ATOM 0 HB VAL A 16 4.777 -4.439 -14.140 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.934 -2.470 -12.605 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.484 -2.066 -14.249 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.872 -1.550 -13.698 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.193 -4.134 -12.235 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.081 -3.263 -13.317 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.428 -4.985 -13.597 1.00 0.00 H new ATOM 244 N LEU A 17 5.750 -4.000 -16.620 1.00 0.00 N ATOM 245 CA LEU A 17 6.956 -3.663 -17.368 1.00 0.00 C ATOM 246 C LEU A 17 6.674 -3.344 -18.835 1.00 0.00 C ATOM 247 O LEU A 17 7.285 -2.427 -19.379 1.00 0.00 O ATOM 248 CB LEU A 17 8.081 -4.682 -17.143 1.00 0.00 C ATOM 249 CG LEU A 17 8.404 -4.846 -15.647 1.00 0.00 C ATOM 250 CD1 LEU A 17 9.515 -5.880 -15.455 1.00 0.00 C ATOM 251 CD2 LEU A 17 8.842 -3.523 -14.999 1.00 0.00 C ATOM 0 H LEU A 17 5.757 -4.925 -16.189 1.00 0.00 H new ATOM 0 HA LEU A 17 7.335 -2.727 -16.958 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.789 -5.646 -17.561 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.976 -4.361 -17.676 1.00 0.00 H new ATOM 0 HG LEU A 17 7.487 -5.179 -15.161 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.734 -5.986 -14.392 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.192 -6.840 -15.857 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.413 -5.551 -15.979 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.059 -3.689 -13.944 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.736 -3.151 -15.499 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.042 -2.789 -15.094 1.00 0.00 H new ATOM 263 N LYS A 18 5.734 -4.049 -19.474 1.00 0.00 N ATOM 264 CA LYS A 18 5.370 -3.760 -20.860 1.00 0.00 C ATOM 265 C LYS A 18 4.142 -2.840 -20.951 1.00 0.00 C ATOM 266 O LYS A 18 3.557 -2.714 -22.024 1.00 0.00 O ATOM 267 CB LYS A 18 5.167 -5.067 -21.635 1.00 0.00 C ATOM 268 CG LYS A 18 6.451 -5.902 -21.646 1.00 0.00 C ATOM 269 CD LYS A 18 6.256 -7.183 -22.467 1.00 0.00 C ATOM 270 CE LYS A 18 7.519 -8.054 -22.469 1.00 0.00 C ATOM 271 NZ LYS A 18 8.648 -7.388 -23.141 1.00 0.00 N ATOM 0 H LYS A 18 5.215 -4.820 -19.053 1.00 0.00 H new ATOM 0 HA LYS A 18 6.193 -3.215 -21.322 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.359 -5.641 -21.182 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.865 -4.844 -22.658 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.269 -5.316 -22.066 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.733 -6.158 -20.625 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.421 -7.753 -22.059 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.993 -6.922 -23.492 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.797 -8.291 -21.442 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.307 -8.999 -22.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.437 -8.058 -23.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.349 -7.063 -24.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.956 -6.572 -22.575 1.00 0.00 H new ATOM 285 N ALA A 19 3.736 -2.185 -19.854 1.00 0.00 N ATOM 286 CA ALA A 19 2.560 -1.327 -19.860 1.00 0.00 C ATOM 287 C ALA A 19 2.901 0.123 -20.189 1.00 0.00 C ATOM 288 O ALA A 19 3.362 0.870 -19.324 1.00 0.00 O ATOM 289 CB ALA A 19 1.838 -1.405 -18.518 1.00 0.00 C ATOM 0 H ALA A 19 4.211 -2.238 -18.953 1.00 0.00 H new ATOM 0 HA ALA A 19 1.902 -1.693 -20.648 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.961 -0.758 -18.538 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.526 -2.433 -18.332 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.510 -1.080 -17.724 1.00 0.00 H new ATOM 295 N ASP A 20 2.615 0.544 -21.425 1.00 0.00 N ATOM 296 CA ASP A 20 2.773 1.928 -21.852 1.00 0.00 C ATOM 297 C ASP A 20 1.613 2.746 -21.280 1.00 0.00 C ATOM 298 O ASP A 20 0.685 3.123 -21.990 1.00 0.00 O ATOM 299 CB ASP A 20 2.841 2.006 -23.381 1.00 0.00 C ATOM 300 CG ASP A 20 2.985 3.433 -23.918 1.00 0.00 C ATOM 301 OD1 ASP A 20 3.166 4.363 -23.101 1.00 0.00 O ATOM 302 OD2 ASP A 20 2.910 3.565 -25.158 1.00 0.00 O ATOM 0 H ASP A 20 2.266 -0.073 -22.158 1.00 0.00 H new ATOM 0 HA ASP A 20 3.708 2.343 -21.476 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.684 1.409 -23.729 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.939 1.559 -23.799 1.00 0.00 H new ATOM 307 N GLY A 21 1.658 2.982 -19.971 1.00 0.00 N ATOM 308 CA GLY A 21 0.644 3.723 -19.244 1.00 0.00 C ATOM 309 C GLY A 21 1.076 3.918 -17.794 1.00 0.00 C ATOM 310 O GLY A 21 2.155 3.462 -17.409 1.00 0.00 O ATOM 0 H GLY A 21 2.420 2.654 -19.378 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.482 4.692 -19.717 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.305 3.188 -19.280 1.00 0.00 H new ATOM 314 N ALA A 22 0.233 4.601 -17.010 1.00 0.00 N ATOM 315 CA ALA A 22 0.441 4.895 -15.600 1.00 0.00 C ATOM 316 C ALA A 22 -0.255 3.839 -14.737 1.00 0.00 C ATOM 317 O ALA A 22 -1.478 3.698 -14.814 1.00 0.00 O ATOM 318 CB ALA A 22 -0.095 6.296 -15.290 1.00 0.00 C ATOM 0 H ALA A 22 -0.647 4.977 -17.362 1.00 0.00 H new ATOM 0 HA ALA A 22 1.507 4.869 -15.372 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.059 6.519 -14.234 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.434 7.031 -15.897 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.160 6.337 -15.517 1.00 0.00 H new ATOM 324 N ILE A 23 0.514 3.104 -13.926 1.00 0.00 N ATOM 325 CA ILE A 23 0.027 2.052 -13.050 1.00 0.00 C ATOM 326 C ILE A 23 0.512 2.275 -11.612 1.00 0.00 C ATOM 327 O ILE A 23 1.708 2.185 -11.336 1.00 0.00 O ATOM 328 CB ILE A 23 0.463 0.674 -13.579 1.00 0.00 C ATOM 329 CG1 ILE A 23 0.118 0.526 -15.074 1.00 0.00 C ATOM 330 CG2 ILE A 23 -0.166 -0.428 -12.714 1.00 0.00 C ATOM 331 CD1 ILE A 23 0.067 -0.928 -15.543 1.00 0.00 C ATOM 0 H ILE A 23 1.524 3.235 -13.865 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.063 2.082 -13.039 1.00 0.00 H new ATOM 0 HB ILE A 23 1.546 0.577 -13.505 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.847 0.996 -15.265 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.858 1.065 -15.665 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.142 -1.404 -13.088 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.165 -0.314 -11.682 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.252 -0.349 -12.758 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.181 -0.960 -16.604 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.038 -1.396 -15.383 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.693 -1.467 -14.977 1.00 0.00 H new ATOM 343 N LEU A 24 -0.416 2.509 -10.681 1.00 0.00 N ATOM 344 CA LEU A 24 -0.122 2.620 -9.261 1.00 0.00 C ATOM 345 C LEU A 24 -0.078 1.198 -8.703 1.00 0.00 C ATOM 346 O LEU A 24 -1.119 0.620 -8.389 1.00 0.00 O ATOM 347 CB LEU A 24 -1.184 3.482 -8.568 1.00 0.00 C ATOM 348 CG LEU A 24 -0.897 3.701 -7.071 1.00 0.00 C ATOM 349 CD1 LEU A 24 0.309 4.630 -6.872 1.00 0.00 C ATOM 350 CD2 LEU A 24 -2.136 4.283 -6.384 1.00 0.00 C ATOM 0 H LEU A 24 -1.405 2.627 -10.901 1.00 0.00 H new ATOM 0 HA LEU A 24 0.835 3.111 -9.085 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.241 4.449 -9.067 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.159 3.008 -8.680 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.657 2.738 -6.621 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.490 4.768 -5.806 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.190 4.186 -7.335 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.104 5.596 -7.333 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.927 4.436 -5.325 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.393 5.237 -6.844 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.971 3.591 -6.493 1.00 0.00 H new ATOM 362 N VAL A 25 1.122 0.631 -8.598 1.00 0.00 N ATOM 363 CA VAL A 25 1.318 -0.724 -8.104 1.00 0.00 C ATOM 364 C VAL A 25 1.423 -0.711 -6.584 1.00 0.00 C ATOM 365 O VAL A 25 2.459 -0.333 -6.038 1.00 0.00 O ATOM 366 CB VAL A 25 2.555 -1.381 -8.734 1.00 0.00 C ATOM 367 CG1 VAL A 25 2.672 -2.828 -8.240 1.00 0.00 C ATOM 368 CG2 VAL A 25 2.471 -1.409 -10.261 1.00 0.00 C ATOM 0 H VAL A 25 1.988 1.104 -8.855 1.00 0.00 H new ATOM 0 HA VAL A 25 0.454 -1.322 -8.394 1.00 0.00 H new ATOM 0 HB VAL A 25 3.422 -0.790 -8.440 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.550 -3.295 -8.687 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.770 -2.835 -7.154 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.779 -3.384 -8.527 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.366 -1.882 -10.666 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.591 -1.975 -10.567 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.396 -0.390 -10.640 1.00 0.00 H new ATOM 378 N ASP A 26 0.373 -1.162 -5.897 1.00 0.00 N ATOM 379 CA ASP A 26 0.387 -1.267 -4.455 1.00 0.00 C ATOM 380 C ASP A 26 0.870 -2.659 -4.061 1.00 0.00 C ATOM 381 O ASP A 26 0.142 -3.624 -4.269 1.00 0.00 O ATOM 382 CB ASP A 26 -0.989 -0.984 -3.851 1.00 0.00 C ATOM 383 CG ASP A 26 -1.029 -1.298 -2.357 1.00 0.00 C ATOM 384 OD1 ASP A 26 -2.047 -1.783 -1.871 1.00 0.00 O ATOM 385 OD2 ASP A 26 0.069 -1.040 -1.590 1.00 0.00 O ATOM 0 H ASP A 26 -0.501 -1.461 -6.330 1.00 0.00 H new ATOM 0 HA ASP A 26 1.069 -0.514 -4.060 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.247 0.063 -4.009 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.742 -1.579 -4.368 1.00 0.00 H new ATOM 391 N PHE A 27 2.049 -2.761 -3.450 1.00 0.00 N ATOM 392 CA PHE A 27 2.547 -4.019 -2.911 1.00 0.00 C ATOM 393 C PHE A 27 1.932 -4.117 -1.516 1.00 0.00 C ATOM 394 O PHE A 27 2.138 -3.204 -0.713 1.00 0.00 O ATOM 395 CB PHE A 27 4.079 -4.047 -2.851 1.00 0.00 C ATOM 396 CG PHE A 27 4.791 -4.144 -4.191 1.00 0.00 C ATOM 397 CD1 PHE A 27 4.699 -3.101 -5.133 1.00 0.00 C ATOM 398 CD2 PHE A 27 5.633 -5.241 -4.458 1.00 0.00 C ATOM 399 CE1 PHE A 27 5.421 -3.168 -6.337 1.00 0.00 C ATOM 400 CE2 PHE A 27 6.387 -5.282 -5.643 1.00 0.00 C ATOM 401 CZ PHE A 27 6.275 -4.254 -6.590 1.00 0.00 C ATOM 0 H PHE A 27 2.683 -1.973 -3.316 1.00 0.00 H new ATOM 0 HA PHE A 27 2.271 -4.865 -3.541 1.00 0.00 H new ATOM 0 HB2 PHE A 27 4.421 -3.145 -2.344 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.385 -4.894 -2.236 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.071 -2.246 -4.929 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.699 -6.053 -3.750 1.00 0.00 H new ATOM 0 HE1 PHE A 27 5.319 -2.382 -7.070 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.056 -6.110 -5.825 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.842 -4.297 -7.508 1.00 0.00 H new ATOM 411 N TRP A 28 1.156 -5.172 -1.248 1.00 0.00 N ATOM 412 CA TRP A 28 0.411 -5.342 -0.004 1.00 0.00 C ATOM 413 C TRP A 28 0.463 -6.780 0.513 1.00 0.00 C ATOM 414 O TRP A 28 1.012 -7.660 -0.148 1.00 0.00 O ATOM 415 CB TRP A 28 -1.046 -4.930 -0.258 1.00 0.00 C ATOM 416 CG TRP A 28 -1.864 -5.852 -1.112 1.00 0.00 C ATOM 417 CD1 TRP A 28 -1.762 -5.976 -2.452 1.00 0.00 C ATOM 418 CD2 TRP A 28 -2.925 -6.771 -0.713 1.00 0.00 C ATOM 419 NE1 TRP A 28 -2.642 -6.939 -2.905 1.00 0.00 N ATOM 420 CE2 TRP A 28 -3.400 -7.450 -1.873 1.00 0.00 C ATOM 421 CE3 TRP A 28 -3.551 -7.084 0.513 1.00 0.00 C ATOM 422 CZ2 TRP A 28 -4.430 -8.402 -1.821 1.00 0.00 C ATOM 423 CZ3 TRP A 28 -4.588 -8.031 0.576 1.00 0.00 C ATOM 424 CH2 TRP A 28 -5.021 -8.699 -0.583 1.00 0.00 C ATOM 0 H TRP A 28 1.028 -5.943 -1.903 1.00 0.00 H new ATOM 0 HA TRP A 28 0.867 -4.715 0.762 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.544 -4.827 0.706 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -1.045 -3.945 -0.724 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -1.091 -5.406 -3.078 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -2.721 -7.234 -3.878 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -3.228 -6.588 1.417 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -4.763 -8.899 -2.720 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -5.057 -8.248 1.524 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.806 -9.438 -0.521 1.00 0.00 H new ATOM 435 N ALA A 29 -0.152 -7.018 1.674 1.00 0.00 N ATOM 436 CA ALA A 29 -0.313 -8.326 2.292 1.00 0.00 C ATOM 437 C ALA A 29 -1.592 -8.294 3.118 1.00 0.00 C ATOM 438 O ALA A 29 -1.964 -7.237 3.626 1.00 0.00 O ATOM 439 CB ALA A 29 0.867 -8.674 3.193 1.00 0.00 C ATOM 0 H ALA A 29 -0.567 -6.269 2.228 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.362 -9.086 1.513 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.709 -9.658 3.636 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.784 -8.684 2.604 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.952 -7.929 3.984 1.00 0.00 H new ATOM 445 N GLU A 30 -2.259 -9.441 3.263 1.00 0.00 N ATOM 446 CA GLU A 30 -3.514 -9.522 4.002 1.00 0.00 C ATOM 447 C GLU A 30 -3.317 -9.154 5.475 1.00 0.00 C ATOM 448 O GLU A 30 -4.048 -8.334 6.022 1.00 0.00 O ATOM 449 CB GLU A 30 -4.118 -10.924 3.822 1.00 0.00 C ATOM 450 CG GLU A 30 -5.520 -11.055 4.438 1.00 0.00 C ATOM 451 CD GLU A 30 -6.528 -10.088 3.820 1.00 0.00 C ATOM 452 OE1 GLU A 30 -6.662 -10.123 2.577 1.00 0.00 O ATOM 453 OE2 GLU A 30 -7.138 -9.324 4.598 1.00 0.00 O ATOM 0 H GLU A 30 -1.946 -10.330 2.874 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.219 -8.793 3.602 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.171 -11.158 2.759 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.456 -11.660 4.278 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.876 -12.077 4.307 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.459 -10.873 5.511 1.00 0.00 H new ATOM 460 N TRP A 31 -2.324 -9.776 6.114 1.00 0.00 N ATOM 461 CA TRP A 31 -2.016 -9.563 7.524 1.00 0.00 C ATOM 462 C TRP A 31 -1.606 -8.119 7.829 1.00 0.00 C ATOM 463 O TRP A 31 -1.778 -7.654 8.956 1.00 0.00 O ATOM 464 CB TRP A 31 -0.927 -10.551 7.961 1.00 0.00 C ATOM 465 CG TRP A 31 0.323 -10.543 7.132 1.00 0.00 C ATOM 466 CD1 TRP A 31 0.578 -11.381 6.103 1.00 0.00 C ATOM 467 CD2 TRP A 31 1.476 -9.649 7.212 1.00 0.00 C ATOM 468 NE1 TRP A 31 1.784 -11.051 5.527 1.00 0.00 N ATOM 469 CE2 TRP A 31 2.384 -9.990 6.167 1.00 0.00 C ATOM 470 CE3 TRP A 31 1.842 -8.571 8.050 1.00 0.00 C ATOM 471 CZ2 TRP A 31 3.581 -9.290 5.950 1.00 0.00 C ATOM 472 CZ3 TRP A 31 3.043 -7.867 7.847 1.00 0.00 C ATOM 473 CH2 TRP A 31 3.909 -8.220 6.797 1.00 0.00 C ATOM 0 H TRP A 31 -1.706 -10.448 5.659 1.00 0.00 H new ATOM 0 HA TRP A 31 -2.926 -9.744 8.097 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -0.658 -10.334 8.995 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -1.346 -11.557 7.945 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -0.066 -12.186 5.782 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.185 -11.534 4.723 1.00 0.00 H new ATOM 0 HE3 TRP A 31 1.188 -8.283 8.860 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 4.241 -9.571 5.142 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 3.302 -7.049 8.503 1.00 0.00 H new ATOM 0 HH2 TRP A 31 4.825 -7.669 6.643 1.00 0.00 H new ATOM 484 N CYS A 32 -1.062 -7.393 6.849 1.00 0.00 N ATOM 485 CA CYS A 32 -0.620 -6.024 7.077 1.00 0.00 C ATOM 486 C CYS A 32 -1.822 -5.081 7.056 1.00 0.00 C ATOM 487 O CYS A 32 -2.067 -4.388 6.072 1.00 0.00 O ATOM 488 CB CYS A 32 0.464 -5.624 6.074 1.00 0.00 C ATOM 489 SG CYS A 32 0.958 -3.922 6.459 1.00 0.00 S ATOM 0 H CYS A 32 -0.920 -7.732 5.897 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.164 -5.951 8.064 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.319 -6.297 6.144 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.087 -5.693 5.054 1.00 0.00 H new ATOM 0 HG CYS A 32 1.933 -3.566 5.676 1.00 0.00 H new ATOM 495 N GLY A 33 -2.567 -5.077 8.168 1.00 0.00 N ATOM 496 CA GLY A 33 -3.764 -4.281 8.439 1.00 0.00 C ATOM 497 C GLY A 33 -3.908 -3.009 7.593 1.00 0.00 C ATOM 498 O GLY A 33 -4.865 -2.914 6.826 1.00 0.00 O ATOM 0 H GLY A 33 -2.329 -5.676 8.959 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.641 -4.907 8.277 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.763 -4.000 9.492 1.00 0.00 H new ATOM 502 N PRO A 34 -2.988 -2.032 7.709 1.00 0.00 N ATOM 503 CA PRO A 34 -3.003 -0.785 6.945 1.00 0.00 C ATOM 504 C PRO A 34 -3.350 -0.952 5.461 1.00 0.00 C ATOM 505 O PRO A 34 -4.050 -0.116 4.892 1.00 0.00 O ATOM 506 CB PRO A 34 -1.615 -0.176 7.145 1.00 0.00 C ATOM 507 CG PRO A 34 -1.261 -0.634 8.558 1.00 0.00 C ATOM 508 CD PRO A 34 -1.841 -2.047 8.605 1.00 0.00 C ATOM 0 HA PRO A 34 -3.800 -0.136 7.308 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -0.900 -0.541 6.408 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -1.632 0.911 7.062 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -0.184 -0.632 8.727 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -1.704 0.012 9.316 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.104 -2.784 8.285 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -2.140 -2.314 9.619 1.00 0.00 H new ATOM 516 N CYS A 35 -2.906 -2.046 4.835 1.00 0.00 N ATOM 517 CA CYS A 35 -3.221 -2.354 3.444 1.00 0.00 C ATOM 518 C CYS A 35 -4.735 -2.333 3.235 1.00 0.00 C ATOM 519 O CYS A 35 -5.245 -1.734 2.290 1.00 0.00 O ATOM 520 CB CYS A 35 -2.689 -3.736 3.047 1.00 0.00 C ATOM 521 SG CYS A 35 -0.882 -3.787 3.124 1.00 0.00 S ATOM 0 H CYS A 35 -2.315 -2.745 5.285 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.743 -1.598 2.821 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.106 -4.494 3.711 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.020 -3.980 2.037 1.00 0.00 H new ATOM 0 HG CYS A 35 -0.499 -3.741 4.365 1.00 0.00 H new ATOM 527 N LYS A 36 -5.464 -2.973 4.150 1.00 0.00 N ATOM 528 CA LYS A 36 -6.914 -3.045 4.108 1.00 0.00 C ATOM 529 C LYS A 36 -7.539 -1.680 4.406 1.00 0.00 C ATOM 530 O LYS A 36 -8.654 -1.415 3.967 1.00 0.00 O ATOM 531 CB LYS A 36 -7.424 -4.126 5.067 1.00 0.00 C ATOM 532 CG LYS A 36 -6.698 -5.470 4.963 1.00 0.00 C ATOM 533 CD LYS A 36 -6.537 -6.051 3.555 1.00 0.00 C ATOM 534 CE LYS A 36 -7.836 -6.572 2.924 1.00 0.00 C ATOM 535 NZ LYS A 36 -8.671 -5.491 2.372 1.00 0.00 N ATOM 0 H LYS A 36 -5.054 -3.459 4.947 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.219 -3.325 3.100 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.333 -3.758 6.089 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.486 -4.287 4.880 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.706 -5.357 5.401 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.235 -6.196 5.573 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.116 -5.283 2.906 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.815 -6.867 3.594 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.592 -7.279 2.131 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.406 -7.119 3.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.339 -5.887 1.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.200 -5.034 3.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.064 -4.788 1.904 1.00 0.00 H new ATOM 549 N MET A 37 -6.824 -0.804 5.118 1.00 0.00 N ATOM 550 CA MET A 37 -7.304 0.540 5.405 1.00 0.00 C ATOM 551 C MET A 37 -7.202 1.386 4.134 1.00 0.00 C ATOM 552 O MET A 37 -8.139 2.109 3.801 1.00 0.00 O ATOM 553 CB MET A 37 -6.551 1.164 6.587 1.00 0.00 C ATOM 554 CG MET A 37 -6.595 0.280 7.841 1.00 0.00 C ATOM 555 SD MET A 37 -8.249 -0.102 8.475 1.00 0.00 S ATOM 556 CE MET A 37 -7.807 -1.172 9.861 1.00 0.00 C ATOM 0 H MET A 37 -5.904 -1.010 5.507 1.00 0.00 H new ATOM 0 HA MET A 37 -8.350 0.497 5.708 1.00 0.00 H new ATOM 0 HB2 MET A 37 -5.513 1.336 6.303 1.00 0.00 H new ATOM 0 HB3 MET A 37 -6.984 2.138 6.817 1.00 0.00 H new ATOM 0 HG2 MET A 37 -6.085 -0.658 7.620 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.028 0.773 8.631 1.00 0.00 H new ATOM 0 HE1 MET A 37 -8.713 -1.502 10.369 1.00 0.00 H new ATOM 0 HE2 MET A 37 -7.261 -2.040 9.491 1.00 0.00 H new ATOM 0 HE3 MET A 37 -7.179 -0.620 10.561 1.00 0.00 H new ATOM 566 N ILE A 38 -6.083 1.290 3.402 1.00 0.00 N ATOM 567 CA ILE A 38 -5.951 2.030 2.148 1.00 0.00 C ATOM 568 C ILE A 38 -6.773 1.390 1.023 1.00 0.00 C ATOM 569 O ILE A 38 -7.169 2.097 0.102 1.00 0.00 O ATOM 570 CB ILE A 38 -4.492 2.278 1.735 1.00 0.00 C ATOM 571 CG1 ILE A 38 -3.741 0.982 1.405 1.00 0.00 C ATOM 572 CG2 ILE A 38 -3.755 3.096 2.803 1.00 0.00 C ATOM 573 CD1 ILE A 38 -2.440 1.252 0.647 1.00 0.00 C ATOM 0 H ILE A 38 -5.275 0.720 3.652 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.370 3.018 2.336 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.517 2.859 0.813 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.519 0.447 2.328 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.381 0.334 0.807 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.724 3.259 2.489 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -4.252 4.058 2.932 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.765 2.553 3.748 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.940 0.307 0.434 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.664 1.764 -0.289 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.788 1.878 1.256 1.00 0.00 H new ATOM 585 N ALA A 39 -7.025 0.076 1.067 1.00 0.00 N ATOM 586 CA ALA A 39 -7.805 -0.649 0.062 1.00 0.00 C ATOM 587 C ALA A 39 -8.994 0.152 -0.506 1.00 0.00 C ATOM 588 O ALA A 39 -9.014 0.393 -1.715 1.00 0.00 O ATOM 589 CB ALA A 39 -8.214 -2.033 0.584 1.00 0.00 C ATOM 0 H ALA A 39 -6.684 -0.523 1.819 1.00 0.00 H new ATOM 0 HA ALA A 39 -7.148 -0.796 -0.795 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.792 -2.553 -0.179 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.321 -2.612 0.820 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.820 -1.918 1.483 1.00 0.00 H new ATOM 595 N PRO A 40 -9.978 0.591 0.301 1.00 0.00 N ATOM 596 CA PRO A 40 -11.089 1.392 -0.194 1.00 0.00 C ATOM 597 C PRO A 40 -10.608 2.669 -0.889 1.00 0.00 C ATOM 598 O PRO A 40 -11.131 3.024 -1.942 1.00 0.00 O ATOM 599 CB PRO A 40 -11.977 1.699 1.016 1.00 0.00 C ATOM 600 CG PRO A 40 -11.041 1.509 2.208 1.00 0.00 C ATOM 601 CD PRO A 40 -10.117 0.392 1.733 1.00 0.00 C ATOM 0 HA PRO A 40 -11.648 0.847 -0.954 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.373 2.714 0.975 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -12.832 1.025 1.067 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.489 2.420 2.439 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -11.585 1.229 3.110 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -9.150 0.443 2.233 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -10.539 -0.588 1.955 1.00 0.00 H new ATOM 609 N ILE A 41 -9.589 3.342 -0.345 1.00 0.00 N ATOM 610 CA ILE A 41 -9.032 4.543 -0.956 1.00 0.00 C ATOM 611 C ILE A 41 -8.541 4.187 -2.362 1.00 0.00 C ATOM 612 O ILE A 41 -8.903 4.844 -3.334 1.00 0.00 O ATOM 613 CB ILE A 41 -7.911 5.173 -0.102 1.00 0.00 C ATOM 614 CG1 ILE A 41 -8.304 5.268 1.384 1.00 0.00 C ATOM 615 CG2 ILE A 41 -7.587 6.570 -0.653 1.00 0.00 C ATOM 616 CD1 ILE A 41 -7.193 5.889 2.233 1.00 0.00 C ATOM 0 H ILE A 41 -9.133 3.068 0.525 1.00 0.00 H new ATOM 0 HA ILE A 41 -9.811 5.303 -1.019 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.032 4.531 -0.162 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -9.211 5.865 1.482 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.535 4.272 1.762 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -6.796 7.022 -0.055 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.256 6.485 -1.688 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -8.479 7.195 -0.607 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.514 5.936 3.274 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.293 5.278 2.158 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.979 6.895 1.873 1.00 0.00 H new ATOM 628 N LEU A 42 -7.740 3.124 -2.480 1.00 0.00 N ATOM 629 CA LEU A 42 -7.243 2.654 -3.768 1.00 0.00 C ATOM 630 C LEU A 42 -8.412 2.368 -4.713 1.00 0.00 C ATOM 631 O LEU A 42 -8.358 2.752 -5.879 1.00 0.00 O ATOM 632 CB LEU A 42 -6.351 1.419 -3.590 1.00 0.00 C ATOM 633 CG LEU A 42 -4.995 1.740 -2.938 1.00 0.00 C ATOM 634 CD1 LEU A 42 -4.321 0.429 -2.530 1.00 0.00 C ATOM 635 CD2 LEU A 42 -4.058 2.496 -3.888 1.00 0.00 C ATOM 0 H LEU A 42 -7.421 2.569 -1.686 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.631 3.438 -4.214 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.876 0.685 -2.979 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.179 0.959 -4.563 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.184 2.377 -2.074 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.358 0.644 -2.066 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.956 -0.101 -1.820 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.168 -0.192 -3.413 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.114 2.700 -3.382 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.871 1.889 -4.774 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.522 3.437 -4.184 1.00 0.00 H new ATOM 647 N ASP A 43 -9.469 1.715 -4.222 1.00 0.00 N ATOM 648 CA ASP A 43 -10.649 1.426 -5.035 1.00 0.00 C ATOM 649 C ASP A 43 -11.246 2.735 -5.568 1.00 0.00 C ATOM 650 O ASP A 43 -11.500 2.881 -6.764 1.00 0.00 O ATOM 651 CB ASP A 43 -11.704 0.639 -4.240 1.00 0.00 C ATOM 652 CG ASP A 43 -11.205 -0.665 -3.615 1.00 0.00 C ATOM 653 OD1 ASP A 43 -10.113 -1.129 -4.002 1.00 0.00 O ATOM 654 OD2 ASP A 43 -11.939 -1.186 -2.747 1.00 0.00 O ATOM 0 H ASP A 43 -9.530 1.376 -3.262 1.00 0.00 H new ATOM 0 HA ASP A 43 -10.339 0.803 -5.874 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -12.091 1.279 -3.447 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -12.539 0.410 -4.902 1.00 0.00 H new ATOM 659 N GLU A 44 -11.446 3.705 -4.670 1.00 0.00 N ATOM 660 CA GLU A 44 -11.987 5.011 -5.018 1.00 0.00 C ATOM 661 C GLU A 44 -11.119 5.649 -6.102 1.00 0.00 C ATOM 662 O GLU A 44 -11.633 6.049 -7.142 1.00 0.00 O ATOM 663 CB GLU A 44 -12.089 5.899 -3.772 1.00 0.00 C ATOM 664 CG GLU A 44 -13.141 5.390 -2.776 1.00 0.00 C ATOM 665 CD GLU A 44 -12.919 5.974 -1.384 1.00 0.00 C ATOM 666 OE1 GLU A 44 -12.770 7.214 -1.308 1.00 0.00 O ATOM 667 OE2 GLU A 44 -12.894 5.177 -0.421 1.00 0.00 O ATOM 0 H GLU A 44 -11.234 3.600 -3.678 1.00 0.00 H new ATOM 0 HA GLU A 44 -12.996 4.896 -5.414 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.118 5.943 -3.280 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.340 6.916 -4.073 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -14.137 5.656 -3.129 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -13.101 4.302 -2.726 1.00 0.00 H new ATOM 674 N ILE A 45 -9.803 5.717 -5.879 1.00 0.00 N ATOM 675 CA ILE A 45 -8.858 6.258 -6.850 1.00 0.00 C ATOM 676 C ILE A 45 -9.025 5.541 -8.195 1.00 0.00 C ATOM 677 O ILE A 45 -9.145 6.197 -9.230 1.00 0.00 O ATOM 678 CB ILE A 45 -7.419 6.149 -6.308 1.00 0.00 C ATOM 679 CG1 ILE A 45 -7.159 7.062 -5.090 1.00 0.00 C ATOM 680 CG2 ILE A 45 -6.367 6.405 -7.396 1.00 0.00 C ATOM 681 CD1 ILE A 45 -7.328 8.564 -5.338 1.00 0.00 C ATOM 0 H ILE A 45 -9.365 5.396 -5.015 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.064 7.316 -7.013 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.320 5.118 -5.970 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -7.834 6.767 -4.287 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.144 6.883 -4.735 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.369 6.317 -6.965 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.484 5.672 -8.194 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.500 7.408 -7.802 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.122 9.110 -4.418 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.633 8.885 -6.114 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.350 8.767 -5.659 1.00 0.00 H new ATOM 693 N ALA A 46 -9.032 4.205 -8.184 1.00 0.00 N ATOM 694 CA ALA A 46 -9.182 3.398 -9.387 1.00 0.00 C ATOM 695 C ALA A 46 -10.413 3.836 -10.178 1.00 0.00 C ATOM 696 O ALA A 46 -10.336 4.021 -11.390 1.00 0.00 O ATOM 697 CB ALA A 46 -9.252 1.912 -9.026 1.00 0.00 C ATOM 0 H ALA A 46 -8.933 3.654 -7.331 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.309 3.549 -10.021 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.364 1.322 -9.935 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.336 1.619 -8.513 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.106 1.736 -8.372 1.00 0.00 H new ATOM 703 N ASP A 47 -11.545 4.020 -9.492 1.00 0.00 N ATOM 704 CA ASP A 47 -12.766 4.477 -10.141 1.00 0.00 C ATOM 705 C ASP A 47 -12.591 5.911 -10.657 1.00 0.00 C ATOM 706 O ASP A 47 -12.769 6.171 -11.847 1.00 0.00 O ATOM 707 CB ASP A 47 -13.959 4.371 -9.177 1.00 0.00 C ATOM 708 CG ASP A 47 -14.306 2.928 -8.823 1.00 0.00 C ATOM 709 OD1 ASP A 47 -14.442 2.123 -9.773 1.00 0.00 O ATOM 710 OD2 ASP A 47 -14.461 2.658 -7.614 1.00 0.00 O ATOM 0 H ASP A 47 -11.636 3.858 -8.489 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.971 3.835 -10.997 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -13.732 4.920 -8.263 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -14.829 4.849 -9.628 1.00 0.00 H new ATOM 715 N GLU A 48 -12.244 6.843 -9.765 1.00 0.00 N ATOM 716 CA GLU A 48 -12.063 8.259 -10.070 1.00 0.00 C ATOM 717 C GLU A 48 -11.208 8.480 -11.321 1.00 0.00 C ATOM 718 O GLU A 48 -11.585 9.248 -12.201 1.00 0.00 O ATOM 719 CB GLU A 48 -11.417 8.970 -8.875 1.00 0.00 C ATOM 720 CG GLU A 48 -12.379 9.146 -7.696 1.00 0.00 C ATOM 721 CD GLU A 48 -11.630 9.639 -6.463 1.00 0.00 C ATOM 722 OE1 GLU A 48 -11.273 10.836 -6.451 1.00 0.00 O ATOM 723 OE2 GLU A 48 -11.411 8.807 -5.556 1.00 0.00 O ATOM 0 H GLU A 48 -12.077 6.623 -8.783 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.050 8.677 -10.268 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.548 8.401 -8.546 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.056 9.948 -9.192 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -13.162 9.857 -7.961 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -12.870 8.198 -7.475 1.00 0.00 H new ATOM 730 N TYR A 49 -10.048 7.825 -11.385 1.00 0.00 N ATOM 731 CA TYR A 49 -9.117 7.962 -12.495 1.00 0.00 C ATOM 732 C TYR A 49 -9.241 6.800 -13.485 1.00 0.00 C ATOM 733 O TYR A 49 -8.274 6.494 -14.182 1.00 0.00 O ATOM 734 CB TYR A 49 -7.687 8.063 -11.946 1.00 0.00 C ATOM 735 CG TYR A 49 -7.371 9.292 -11.118 1.00 0.00 C ATOM 736 CD1 TYR A 49 -7.679 9.309 -9.747 1.00 0.00 C ATOM 737 CD2 TYR A 49 -6.622 10.348 -11.674 1.00 0.00 C ATOM 738 CE1 TYR A 49 -7.211 10.349 -8.932 1.00 0.00 C ATOM 739 CE2 TYR A 49 -6.141 11.382 -10.853 1.00 0.00 C ATOM 740 CZ TYR A 49 -6.411 11.368 -9.474 1.00 0.00 C ATOM 741 OH TYR A 49 -5.888 12.325 -8.656 1.00 0.00 O ATOM 0 H TYR A 49 -9.730 7.181 -10.661 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.361 8.872 -13.043 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.491 7.181 -11.337 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -6.994 8.030 -12.787 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.278 8.518 -9.320 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -6.417 10.363 -12.734 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.467 10.367 -7.883 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -5.564 12.188 -11.282 1.00 0.00 H new ATOM 0 HH TYR A 49 -5.358 12.955 -9.187 1.00 0.00 H new ATOM 751 N GLN A 50 -10.402 6.146 -13.582 1.00 0.00 N ATOM 752 CA GLN A 50 -10.584 5.027 -14.495 1.00 0.00 C ATOM 753 C GLN A 50 -10.236 5.428 -15.932 1.00 0.00 C ATOM 754 O GLN A 50 -10.950 6.223 -16.544 1.00 0.00 O ATOM 755 CB GLN A 50 -12.027 4.513 -14.383 1.00 0.00 C ATOM 756 CG GLN A 50 -12.351 3.378 -15.369 1.00 0.00 C ATOM 757 CD GLN A 50 -13.483 3.733 -16.330 1.00 0.00 C ATOM 758 OE1 GLN A 50 -14.475 3.017 -16.414 1.00 0.00 O ATOM 759 NE2 GLN A 50 -13.357 4.836 -17.061 1.00 0.00 N ATOM 0 H GLN A 50 -11.230 6.378 -13.034 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.904 4.221 -14.219 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -12.201 4.161 -13.366 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -12.714 5.341 -14.556 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -11.457 3.135 -15.943 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -12.623 2.483 -14.809 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -12.521 5.414 -16.972 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -14.096 5.104 -17.711 1.00 0.00 H new ATOM 768 N GLY A 51 -9.148 4.871 -16.474 1.00 0.00 N ATOM 769 CA GLY A 51 -8.681 5.143 -17.829 1.00 0.00 C ATOM 770 C GLY A 51 -7.572 6.199 -17.859 1.00 0.00 C ATOM 771 O GLY A 51 -6.866 6.316 -18.856 1.00 0.00 O ATOM 0 H GLY A 51 -8.560 4.207 -15.971 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.313 4.220 -18.277 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.519 5.481 -18.439 1.00 0.00 H new ATOM 775 N LYS A 52 -7.405 6.948 -16.767 1.00 0.00 N ATOM 776 CA LYS A 52 -6.392 7.982 -16.612 1.00 0.00 C ATOM 777 C LYS A 52 -5.214 7.416 -15.812 1.00 0.00 C ATOM 778 O LYS A 52 -4.060 7.700 -16.122 1.00 0.00 O ATOM 779 CB LYS A 52 -7.006 9.199 -15.905 1.00 0.00 C ATOM 780 CG LYS A 52 -8.260 9.711 -16.625 1.00 0.00 C ATOM 781 CD LYS A 52 -8.826 10.932 -15.893 1.00 0.00 C ATOM 782 CE LYS A 52 -10.120 11.400 -16.568 1.00 0.00 C ATOM 783 NZ LYS A 52 -10.706 12.553 -15.863 1.00 0.00 N ATOM 0 H LYS A 52 -7.994 6.844 -15.941 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.028 8.302 -17.588 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.261 8.932 -14.879 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.267 9.998 -15.852 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.016 9.975 -17.654 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.011 8.923 -16.668 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.021 10.682 -14.850 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.093 11.739 -15.896 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.915 11.671 -17.604 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.838 10.581 -16.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.580 12.846 -16.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.923 12.286 -14.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.029 13.342 -15.865 1.00 0.00 H new ATOM 797 N LEU A 53 -5.507 6.603 -14.792 1.00 0.00 N ATOM 798 CA LEU A 53 -4.520 5.948 -13.948 1.00 0.00 C ATOM 799 C LEU A 53 -5.028 4.541 -13.680 1.00 0.00 C ATOM 800 O LEU A 53 -6.171 4.370 -13.258 1.00 0.00 O ATOM 801 CB LEU A 53 -4.371 6.719 -12.629 1.00 0.00 C ATOM 802 CG LEU A 53 -3.458 6.056 -11.588 1.00 0.00 C ATOM 803 CD1 LEU A 53 -1.990 6.053 -12.018 1.00 0.00 C ATOM 804 CD2 LEU A 53 -3.603 6.794 -10.256 1.00 0.00 C ATOM 0 H LEU A 53 -6.467 6.380 -14.529 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.544 5.919 -14.433 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.983 7.714 -12.849 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.360 6.852 -12.190 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.766 5.015 -11.487 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.386 5.573 -11.248 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.886 5.505 -12.954 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.650 7.079 -12.159 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.958 6.329 -9.510 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.316 7.837 -10.385 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.639 6.742 -9.922 1.00 0.00 H new ATOM 816 N THR A 54 -4.178 3.537 -13.877 1.00 0.00 N ATOM 817 CA THR A 54 -4.511 2.164 -13.543 1.00 0.00 C ATOM 818 C THR A 54 -4.037 1.958 -12.107 1.00 0.00 C ATOM 819 O THR A 54 -3.018 2.521 -11.712 1.00 0.00 O ATOM 820 CB THR A 54 -3.801 1.224 -14.521 1.00 0.00 C ATOM 821 OG1 THR A 54 -4.182 1.550 -15.841 1.00 0.00 O ATOM 822 CG2 THR A 54 -4.099 -0.256 -14.268 1.00 0.00 C ATOM 0 H THR A 54 -3.245 3.656 -14.271 1.00 0.00 H new ATOM 0 HA THR A 54 -5.578 1.955 -13.620 1.00 0.00 H new ATOM 0 HB THR A 54 -2.731 1.365 -14.370 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.728 0.951 -16.470 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.564 -0.865 -14.997 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.776 -0.526 -13.263 1.00 0.00 H new ATOM 0 HG23 THR A 54 -5.170 -0.433 -14.364 1.00 0.00 H new ATOM 830 N VAL A 55 -4.746 1.152 -11.322 1.00 0.00 N ATOM 831 CA VAL A 55 -4.363 0.838 -9.956 1.00 0.00 C ATOM 832 C VAL A 55 -4.186 -0.675 -9.899 1.00 0.00 C ATOM 833 O VAL A 55 -4.937 -1.414 -10.541 1.00 0.00 O ATOM 834 CB VAL A 55 -5.422 1.365 -8.974 1.00 0.00 C ATOM 835 CG1 VAL A 55 -5.097 0.960 -7.532 1.00 0.00 C ATOM 836 CG2 VAL A 55 -5.517 2.896 -9.029 1.00 0.00 C ATOM 0 H VAL A 55 -5.608 0.697 -11.622 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.431 1.321 -9.662 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.372 0.923 -9.275 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.865 1.348 -6.863 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.067 -0.127 -7.457 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.128 1.370 -7.248 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.274 3.239 -8.324 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.552 3.330 -8.766 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.792 3.208 -10.037 1.00 0.00 H new ATOM 846 N ALA A 56 -3.178 -1.142 -9.163 1.00 0.00 N ATOM 847 CA ALA A 56 -2.879 -2.553 -9.035 1.00 0.00 C ATOM 848 C ALA A 56 -2.610 -2.896 -7.573 1.00 0.00 C ATOM 849 O ALA A 56 -2.121 -2.053 -6.824 1.00 0.00 O ATOM 850 CB ALA A 56 -1.710 -2.907 -9.950 1.00 0.00 C ATOM 0 H ALA A 56 -2.545 -0.539 -8.637 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.733 -3.154 -9.349 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.483 -3.969 -9.856 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.976 -2.683 -10.983 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.835 -2.322 -9.666 1.00 0.00 H new ATOM 856 N LYS A 57 -2.944 -4.124 -7.170 1.00 0.00 N ATOM 857 CA LYS A 57 -2.792 -4.626 -5.809 1.00 0.00 C ATOM 858 C LYS A 57 -2.015 -5.939 -5.850 1.00 0.00 C ATOM 859 O LYS A 57 -2.599 -7.009 -6.016 1.00 0.00 O ATOM 860 CB LYS A 57 -4.178 -4.819 -5.176 1.00 0.00 C ATOM 861 CG LYS A 57 -4.696 -3.512 -4.562 1.00 0.00 C ATOM 862 CD LYS A 57 -6.060 -3.737 -3.896 1.00 0.00 C ATOM 863 CE LYS A 57 -6.531 -2.461 -3.193 1.00 0.00 C ATOM 864 NZ LYS A 57 -7.951 -2.557 -2.816 1.00 0.00 N ATOM 0 H LYS A 57 -3.340 -4.816 -7.805 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.238 -3.912 -5.199 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.880 -5.172 -5.932 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.125 -5.589 -4.406 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.982 -3.140 -3.827 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.783 -2.749 -5.336 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.792 -4.038 -4.646 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.989 -4.551 -3.175 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.926 -2.288 -2.303 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.383 -1.604 -3.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.249 -1.673 -2.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.526 -2.716 -3.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.082 -3.351 -2.157 1.00 0.00 H new ATOM 878 N LEU A 58 -0.708 -5.880 -5.626 1.00 0.00 N ATOM 879 CA LEU A 58 0.163 -7.038 -5.704 1.00 0.00 C ATOM 880 C LEU A 58 0.372 -7.608 -4.305 1.00 0.00 C ATOM 881 O LEU A 58 1.024 -6.999 -3.457 1.00 0.00 O ATOM 882 CB LEU A 58 1.478 -6.589 -6.339 1.00 0.00 C ATOM 883 CG LEU A 58 2.383 -7.785 -6.681 1.00 0.00 C ATOM 884 CD1 LEU A 58 3.214 -7.397 -7.896 1.00 0.00 C ATOM 885 CD2 LEU A 58 3.325 -8.183 -5.537 1.00 0.00 C ATOM 0 H LEU A 58 -0.222 -5.017 -5.383 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.274 -7.828 -6.315 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.269 -6.020 -7.245 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.002 -5.920 -5.656 1.00 0.00 H new ATOM 0 HG LEU A 58 1.745 -8.648 -6.871 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.870 -8.224 -8.168 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.552 -7.169 -8.732 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.816 -6.519 -7.660 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.934 -9.032 -5.846 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.973 -7.342 -5.290 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.738 -8.457 -4.661 1.00 0.00 H new ATOM 897 N ASN A 59 -0.216 -8.781 -4.058 1.00 0.00 N ATOM 898 CA ASN A 59 -0.123 -9.429 -2.761 1.00 0.00 C ATOM 899 C ASN A 59 1.215 -10.157 -2.637 1.00 0.00 C ATOM 900 O ASN A 59 1.421 -11.196 -3.275 1.00 0.00 O ATOM 901 CB ASN A 59 -1.302 -10.380 -2.528 1.00 0.00 C ATOM 902 CG ASN A 59 -1.342 -10.819 -1.065 1.00 0.00 C ATOM 903 OD1 ASN A 59 -0.334 -10.769 -0.367 1.00 0.00 O ATOM 904 ND2 ASN A 59 -2.501 -11.239 -0.573 1.00 0.00 N ATOM 0 H ASN A 59 -0.762 -9.298 -4.747 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.173 -8.664 -1.986 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.236 -9.885 -2.793 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.209 -11.252 -3.175 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.566 -11.528 0.403 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -3.327 -11.273 -1.171 1.00 0.00 H new ATOM 911 N ILE A 60 2.120 -9.631 -1.807 1.00 0.00 N ATOM 912 CA ILE A 60 3.424 -10.240 -1.596 1.00 0.00 C ATOM 913 C ILE A 60 3.304 -11.619 -0.943 1.00 0.00 C ATOM 914 O ILE A 60 4.174 -12.458 -1.156 1.00 0.00 O ATOM 915 CB ILE A 60 4.399 -9.314 -0.846 1.00 0.00 C ATOM 916 CG1 ILE A 60 4.024 -9.095 0.632 1.00 0.00 C ATOM 917 CG2 ILE A 60 4.538 -7.977 -1.589 1.00 0.00 C ATOM 918 CD1 ILE A 60 5.220 -8.607 1.453 1.00 0.00 C ATOM 0 H ILE A 60 1.966 -8.778 -1.269 1.00 0.00 H new ATOM 0 HA ILE A 60 3.862 -10.393 -2.582 1.00 0.00 H new ATOM 0 HB ILE A 60 5.365 -9.819 -0.832 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.216 -8.367 0.698 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.649 -10.027 1.054 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.230 -7.331 -1.049 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.919 -8.157 -2.594 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.564 -7.493 -1.652 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.916 -8.464 2.490 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.019 -9.347 1.408 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.579 -7.661 1.047 1.00 0.00 H new ATOM 930 N ASP A 61 2.222 -11.890 -0.199 1.00 0.00 N ATOM 931 CA ASP A 61 1.993 -13.188 0.444 1.00 0.00 C ATOM 932 C ASP A 61 2.079 -14.344 -0.554 1.00 0.00 C ATOM 933 O ASP A 61 2.354 -15.476 -0.162 1.00 0.00 O ATOM 934 CB ASP A 61 0.633 -13.241 1.162 1.00 0.00 C ATOM 935 CG ASP A 61 0.491 -12.217 2.285 1.00 0.00 C ATOM 936 OD1 ASP A 61 1.510 -11.993 2.974 1.00 0.00 O ATOM 937 OD2 ASP A 61 -0.636 -11.695 2.456 1.00 0.00 O ATOM 0 H ASP A 61 1.480 -11.212 -0.027 1.00 0.00 H new ATOM 0 HA ASP A 61 2.787 -13.300 1.182 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.160 -13.078 0.432 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.488 -14.240 1.573 1.00 0.00 H new ATOM 942 N GLN A 62 1.815 -14.080 -1.835 1.00 0.00 N ATOM 943 CA GLN A 62 1.885 -15.071 -2.904 1.00 0.00 C ATOM 944 C GLN A 62 2.926 -14.670 -3.953 1.00 0.00 C ATOM 945 O GLN A 62 3.079 -15.354 -4.960 1.00 0.00 O ATOM 946 CB GLN A 62 0.498 -15.180 -3.542 1.00 0.00 C ATOM 947 CG GLN A 62 -0.604 -15.590 -2.550 1.00 0.00 C ATOM 948 CD GLN A 62 -0.482 -17.037 -2.075 1.00 0.00 C ATOM 949 OE1 GLN A 62 -1.214 -17.903 -2.539 1.00 0.00 O ATOM 950 NE2 GLN A 62 0.427 -17.328 -1.147 1.00 0.00 N ATOM 0 H GLN A 62 1.542 -13.153 -2.162 1.00 0.00 H new ATOM 0 HA GLN A 62 2.189 -16.034 -2.495 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.236 -14.221 -3.988 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.536 -15.908 -4.352 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.570 -14.927 -1.685 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -1.577 -15.450 -3.021 1.00 0.00 H new ATOM 0 HE21 GLN A 62 1.027 -16.593 -0.773 1.00 0.00 H new ATOM 0 HE22 GLN A 62 0.523 -18.286 -0.810 1.00 0.00 H new ATOM 959 N ASN A 63 3.639 -13.561 -3.730 1.00 0.00 N ATOM 960 CA ASN A 63 4.635 -13.017 -4.648 1.00 0.00 C ATOM 961 C ASN A 63 5.751 -12.343 -3.850 1.00 0.00 C ATOM 962 O ASN A 63 5.944 -11.133 -3.972 1.00 0.00 O ATOM 963 CB ASN A 63 3.961 -12.000 -5.580 1.00 0.00 C ATOM 964 CG ASN A 63 2.806 -12.608 -6.360 1.00 0.00 C ATOM 965 OD1 ASN A 63 3.010 -13.250 -7.382 1.00 0.00 O ATOM 966 ND2 ASN A 63 1.581 -12.400 -5.891 1.00 0.00 N ATOM 0 H ASN A 63 3.533 -13.005 -2.882 1.00 0.00 H new ATOM 0 HA ASN A 63 5.065 -13.820 -5.246 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.596 -11.158 -4.992 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.699 -11.605 -6.278 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.774 -12.780 -6.386 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.447 -11.860 -5.036 1.00 0.00 H new ATOM 973 N PRO A 64 6.496 -13.090 -3.022 1.00 0.00 N ATOM 974 CA PRO A 64 7.544 -12.510 -2.205 1.00 0.00 C ATOM 975 C PRO A 64 8.634 -11.878 -3.068 1.00 0.00 C ATOM 976 O PRO A 64 8.978 -10.721 -2.858 1.00 0.00 O ATOM 977 CB PRO A 64 8.066 -13.648 -1.321 1.00 0.00 C ATOM 978 CG PRO A 64 7.668 -14.921 -2.072 1.00 0.00 C ATOM 979 CD PRO A 64 6.375 -14.518 -2.781 1.00 0.00 C ATOM 0 HA PRO A 64 7.172 -11.693 -1.586 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.146 -13.585 -1.188 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.620 -13.616 -0.327 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.437 -15.228 -2.781 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.510 -15.758 -1.391 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.253 -15.065 -3.716 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.504 -14.740 -2.165 1.00 0.00 H new ATOM 987 N GLY A 65 9.172 -12.634 -4.032 1.00 0.00 N ATOM 988 CA GLY A 65 10.253 -12.226 -4.928 1.00 0.00 C ATOM 989 C GLY A 65 10.155 -10.788 -5.444 1.00 0.00 C ATOM 990 O GLY A 65 11.157 -10.075 -5.490 1.00 0.00 O ATOM 0 H GLY A 65 8.851 -13.585 -4.214 1.00 0.00 H new ATOM 0 HA2 GLY A 65 11.202 -12.345 -4.406 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.272 -12.903 -5.782 1.00 0.00 H new ATOM 994 N THR A 66 8.959 -10.349 -5.840 1.00 0.00 N ATOM 995 CA THR A 66 8.750 -9.013 -6.369 1.00 0.00 C ATOM 996 C THR A 66 9.177 -7.927 -5.364 1.00 0.00 C ATOM 997 O THR A 66 9.634 -6.860 -5.767 1.00 0.00 O ATOM 998 CB THR A 66 7.292 -8.887 -6.850 1.00 0.00 C ATOM 999 OG1 THR A 66 6.783 -10.176 -7.141 1.00 0.00 O ATOM 1000 CG2 THR A 66 7.178 -8.040 -8.122 1.00 0.00 C ATOM 0 H THR A 66 8.112 -10.915 -5.800 1.00 0.00 H new ATOM 0 HA THR A 66 9.394 -8.850 -7.233 1.00 0.00 H new ATOM 0 HB THR A 66 6.727 -8.403 -6.053 1.00 0.00 H new ATOM 0 HG1 THR A 66 7.249 -10.543 -7.921 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.133 -7.978 -8.425 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.560 -7.038 -7.927 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.760 -8.501 -8.920 1.00 0.00 H new ATOM 1008 N ALA A 67 9.060 -8.187 -4.057 1.00 0.00 N ATOM 1009 CA ALA A 67 9.440 -7.227 -3.028 1.00 0.00 C ATOM 1010 C ALA A 67 10.910 -6.787 -3.143 1.00 0.00 C ATOM 1011 O ALA A 67 11.147 -5.620 -3.461 1.00 0.00 O ATOM 1012 CB ALA A 67 9.031 -7.720 -1.633 1.00 0.00 C ATOM 0 H ALA A 67 8.700 -9.067 -3.689 1.00 0.00 H new ATOM 0 HA ALA A 67 8.874 -6.311 -3.197 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.327 -6.984 -0.886 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.950 -7.858 -1.598 1.00 0.00 H new ATOM 0 HB3 ALA A 67 9.525 -8.669 -1.423 1.00 0.00 H new ATOM 1018 N PRO A 68 11.914 -7.653 -2.911 1.00 0.00 N ATOM 1019 CA PRO A 68 13.307 -7.264 -3.054 1.00 0.00 C ATOM 1020 C PRO A 68 13.601 -6.807 -4.482 1.00 0.00 C ATOM 1021 O PRO A 68 14.336 -5.836 -4.655 1.00 0.00 O ATOM 1022 CB PRO A 68 14.142 -8.480 -2.643 1.00 0.00 C ATOM 1023 CG PRO A 68 13.194 -9.656 -2.861 1.00 0.00 C ATOM 1024 CD PRO A 68 11.833 -9.049 -2.519 1.00 0.00 C ATOM 0 HA PRO A 68 13.554 -6.412 -2.420 1.00 0.00 H new ATOM 0 HB2 PRO A 68 15.042 -8.572 -3.251 1.00 0.00 H new ATOM 0 HB3 PRO A 68 14.465 -8.412 -1.604 1.00 0.00 H new ATOM 0 HG2 PRO A 68 13.229 -10.021 -3.887 1.00 0.00 H new ATOM 0 HG3 PRO A 68 13.437 -10.499 -2.214 1.00 0.00 H new ATOM 0 HD2 PRO A 68 11.032 -9.559 -3.053 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.618 -9.145 -1.455 1.00 0.00 H new ATOM 1032 N LYS A 69 13.022 -7.458 -5.503 1.00 0.00 N ATOM 1033 CA LYS A 69 13.239 -7.055 -6.893 1.00 0.00 C ATOM 1034 C LYS A 69 12.957 -5.564 -7.095 1.00 0.00 C ATOM 1035 O LYS A 69 13.683 -4.909 -7.841 1.00 0.00 O ATOM 1036 CB LYS A 69 12.381 -7.885 -7.853 1.00 0.00 C ATOM 1037 CG LYS A 69 12.920 -9.308 -8.039 1.00 0.00 C ATOM 1038 CD LYS A 69 11.952 -10.109 -8.921 1.00 0.00 C ATOM 1039 CE LYS A 69 12.397 -11.565 -9.099 1.00 0.00 C ATOM 1040 NZ LYS A 69 13.682 -11.664 -9.815 1.00 0.00 N ATOM 0 H LYS A 69 12.404 -8.261 -5.389 1.00 0.00 H new ATOM 0 HA LYS A 69 14.289 -7.240 -7.118 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.360 -7.933 -7.474 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.339 -7.386 -8.821 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.908 -9.277 -8.499 1.00 0.00 H new ATOM 0 HG3 LYS A 69 13.034 -9.795 -7.070 1.00 0.00 H new ATOM 0 HD2 LYS A 69 10.957 -10.087 -8.477 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.876 -9.633 -9.898 1.00 0.00 H new ATOM 0 HE2 LYS A 69 12.489 -12.039 -8.122 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.632 -12.114 -9.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 13.898 -12.664 -10.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 13.619 -11.147 -10.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 14.437 -11.252 -9.231 1.00 0.00 H new ATOM 1054 N TYR A 70 11.924 -5.027 -6.437 1.00 0.00 N ATOM 1055 CA TYR A 70 11.575 -3.614 -6.538 1.00 0.00 C ATOM 1056 C TYR A 70 11.941 -2.841 -5.269 1.00 0.00 C ATOM 1057 O TYR A 70 11.441 -1.741 -5.045 1.00 0.00 O ATOM 1058 CB TYR A 70 10.107 -3.491 -6.955 1.00 0.00 C ATOM 1059 CG TYR A 70 9.921 -3.859 -8.413 1.00 0.00 C ATOM 1060 CD1 TYR A 70 10.284 -2.931 -9.405 1.00 0.00 C ATOM 1061 CD2 TYR A 70 9.706 -5.202 -8.763 1.00 0.00 C ATOM 1062 CE1 TYR A 70 10.475 -3.354 -10.731 1.00 0.00 C ATOM 1063 CE2 TYR A 70 9.923 -5.634 -10.079 1.00 0.00 C ATOM 1064 CZ TYR A 70 10.363 -4.720 -11.050 1.00 0.00 C ATOM 1065 OH TYR A 70 10.689 -5.163 -12.293 1.00 0.00 O ATOM 0 H TYR A 70 11.310 -5.562 -5.822 1.00 0.00 H new ATOM 0 HA TYR A 70 12.172 -3.138 -7.316 1.00 0.00 H new ATOM 0 HB2 TYR A 70 9.493 -4.141 -6.332 1.00 0.00 H new ATOM 0 HB3 TYR A 70 9.763 -2.471 -6.788 1.00 0.00 H new ATOM 0 HD1 TYR A 70 10.416 -1.891 -9.147 1.00 0.00 H new ATOM 0 HD2 TYR A 70 9.372 -5.905 -8.015 1.00 0.00 H new ATOM 0 HE1 TYR A 70 10.707 -2.634 -11.502 1.00 0.00 H new ATOM 0 HE2 TYR A 70 9.752 -6.667 -10.345 1.00 0.00 H new ATOM 0 HH TYR A 70 10.554 -6.132 -12.341 1.00 0.00 H new ATOM 1075 N GLY A 71 12.846 -3.391 -4.456 1.00 0.00 N ATOM 1076 CA GLY A 71 13.353 -2.755 -3.252 1.00 0.00 C ATOM 1077 C GLY A 71 12.255 -2.296 -2.297 1.00 0.00 C ATOM 1078 O GLY A 71 12.389 -1.251 -1.665 1.00 0.00 O ATOM 0 H GLY A 71 13.252 -4.311 -4.626 1.00 0.00 H new ATOM 0 HA2 GLY A 71 14.009 -3.453 -2.731 1.00 0.00 H new ATOM 0 HA3 GLY A 71 13.961 -1.895 -3.533 1.00 0.00 H new ATOM 1082 N ILE A 72 11.177 -3.074 -2.156 1.00 0.00 N ATOM 1083 CA ILE A 72 10.121 -2.732 -1.206 1.00 0.00 C ATOM 1084 C ILE A 72 10.742 -2.642 0.191 1.00 0.00 C ATOM 1085 O ILE A 72 11.474 -3.538 0.610 1.00 0.00 O ATOM 1086 CB ILE A 72 8.965 -3.750 -1.287 1.00 0.00 C ATOM 1087 CG1 ILE A 72 7.942 -3.367 -2.370 1.00 0.00 C ATOM 1088 CG2 ILE A 72 8.194 -3.888 0.036 1.00 0.00 C ATOM 1089 CD1 ILE A 72 8.552 -3.144 -3.753 1.00 0.00 C ATOM 0 H ILE A 72 11.016 -3.933 -2.681 1.00 0.00 H new ATOM 0 HA ILE A 72 9.682 -1.764 -1.449 1.00 0.00 H new ATOM 0 HB ILE A 72 9.447 -4.697 -1.529 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.190 -4.153 -2.439 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.425 -2.458 -2.062 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.393 -4.618 -0.084 1.00 0.00 H new ATOM 0 HG22 ILE A 72 8.874 -4.221 0.820 1.00 0.00 H new ATOM 0 HG23 ILE A 72 7.767 -2.923 0.311 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.765 -2.878 -4.459 1.00 0.00 H new ATOM 0 HD12 ILE A 72 9.283 -2.337 -3.703 1.00 0.00 H new ATOM 0 HD13 ILE A 72 9.044 -4.058 -4.086 1.00 0.00 H new ATOM 1101 N ARG A 73 10.470 -1.530 0.880 1.00 0.00 N ATOM 1102 CA ARG A 73 10.988 -1.237 2.207 1.00 0.00 C ATOM 1103 C ARG A 73 10.038 -1.778 3.272 1.00 0.00 C ATOM 1104 O ARG A 73 10.461 -2.459 4.203 1.00 0.00 O ATOM 1105 CB ARG A 73 11.193 0.277 2.346 1.00 0.00 C ATOM 1106 CG ARG A 73 12.142 0.919 1.318 1.00 0.00 C ATOM 1107 CD ARG A 73 13.585 0.396 1.380 1.00 0.00 C ATOM 1108 NE ARG A 73 13.681 -0.945 0.796 1.00 0.00 N ATOM 1109 CZ ARG A 73 14.500 -1.922 1.203 1.00 0.00 C ATOM 1110 NH1 ARG A 73 15.599 -1.634 1.909 1.00 0.00 N ATOM 1111 NH2 ARG A 73 14.196 -3.190 0.909 1.00 0.00 N ATOM 0 H ARG A 73 9.867 -0.793 0.515 1.00 0.00 H new ATOM 0 HA ARG A 73 11.951 -1.728 2.348 1.00 0.00 H new ATOM 0 HB2 ARG A 73 10.221 0.765 2.271 1.00 0.00 H new ATOM 0 HB3 ARG A 73 11.576 0.483 3.345 1.00 0.00 H new ATOM 0 HG2 ARG A 73 11.747 0.745 0.317 1.00 0.00 H new ATOM 0 HG3 ARG A 73 12.152 1.998 1.473 1.00 0.00 H new ATOM 0 HD2 ARG A 73 14.246 1.078 0.846 1.00 0.00 H new ATOM 0 HD3 ARG A 73 13.923 0.371 2.416 1.00 0.00 H new ATOM 0 HE ARG A 73 13.068 -1.152 0.008 1.00 0.00 H new ATOM 0 HH11 ARG A 73 15.817 -0.665 2.140 1.00 0.00 H new ATOM 0 HH12 ARG A 73 16.219 -2.384 2.216 1.00 0.00 H new ATOM 0 HH21 ARG A 73 13.349 -3.402 0.381 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.811 -3.945 1.212 1.00 0.00 H new ATOM 1125 N GLY A 74 8.746 -1.483 3.133 1.00 0.00 N ATOM 1126 CA GLY A 74 7.709 -1.934 4.042 1.00 0.00 C ATOM 1127 C GLY A 74 6.377 -1.782 3.320 1.00 0.00 C ATOM 1128 O GLY A 74 6.228 -0.867 2.508 1.00 0.00 O ATOM 0 H GLY A 74 8.390 -0.911 2.367 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.874 -2.972 4.329 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.719 -1.345 4.959 1.00 0.00 H new ATOM 1132 N ILE A 75 5.431 -2.681 3.590 1.00 0.00 N ATOM 1133 CA ILE A 75 4.116 -2.675 2.965 1.00 0.00 C ATOM 1134 C ILE A 75 3.091 -2.012 3.900 1.00 0.00 C ATOM 1135 O ILE A 75 3.241 -2.123 5.116 1.00 0.00 O ATOM 1136 CB ILE A 75 3.702 -4.103 2.578 1.00 0.00 C ATOM 1137 CG1 ILE A 75 3.881 -5.092 3.742 1.00 0.00 C ATOM 1138 CG2 ILE A 75 4.506 -4.575 1.358 1.00 0.00 C ATOM 1139 CD1 ILE A 75 2.977 -6.300 3.541 1.00 0.00 C ATOM 0 H ILE A 75 5.561 -3.441 4.257 1.00 0.00 H new ATOM 0 HA ILE A 75 4.154 -2.088 2.047 1.00 0.00 H new ATOM 0 HB ILE A 75 2.641 -4.078 2.328 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.921 -5.412 3.802 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.643 -4.602 4.686 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.204 -5.588 1.093 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.316 -3.908 0.517 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.569 -4.564 1.597 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.110 -6.996 4.370 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.937 -5.974 3.504 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.236 -6.796 2.606 1.00 0.00 H new ATOM 1151 N PRO A 76 2.046 -1.345 3.382 1.00 0.00 N ATOM 1152 CA PRO A 76 1.752 -1.154 1.970 1.00 0.00 C ATOM 1153 C PRO A 76 2.772 -0.222 1.317 1.00 0.00 C ATOM 1154 O PRO A 76 3.173 0.774 1.914 1.00 0.00 O ATOM 1155 CB PRO A 76 0.356 -0.527 1.913 1.00 0.00 C ATOM 1156 CG PRO A 76 0.223 0.181 3.260 1.00 0.00 C ATOM 1157 CD PRO A 76 1.028 -0.713 4.203 1.00 0.00 C ATOM 0 HA PRO A 76 1.797 -2.100 1.431 1.00 0.00 H new ATOM 0 HB2 PRO A 76 0.265 0.172 1.082 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -0.418 -1.283 1.780 1.00 0.00 H new ATOM 0 HG2 PRO A 76 0.624 1.194 3.224 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -0.818 0.262 3.572 1.00 0.00 H new ATOM 0 HD2 PRO A 76 1.480 -0.128 5.004 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.388 -1.459 4.675 1.00 0.00 H new ATOM 1165 N THR A 77 3.186 -0.552 0.095 1.00 0.00 N ATOM 1166 CA THR A 77 4.103 0.262 -0.691 1.00 0.00 C ATOM 1167 C THR A 77 3.335 0.626 -1.953 1.00 0.00 C ATOM 1168 O THR A 77 2.633 -0.244 -2.469 1.00 0.00 O ATOM 1169 CB THR A 77 5.373 -0.526 -1.054 1.00 0.00 C ATOM 1170 OG1 THR A 77 5.674 -1.497 -0.077 1.00 0.00 O ATOM 1171 CG2 THR A 77 6.574 0.414 -1.173 1.00 0.00 C ATOM 0 H THR A 77 2.888 -1.404 -0.381 1.00 0.00 H new ATOM 0 HA THR A 77 4.429 1.141 -0.135 1.00 0.00 H new ATOM 0 HB THR A 77 5.179 -1.017 -2.008 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.795 -1.060 0.792 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.463 -0.162 -1.430 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.382 1.153 -1.951 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.734 0.922 -0.222 1.00 0.00 H new ATOM 1179 N LEU A 78 3.444 1.861 -2.449 1.00 0.00 N ATOM 1180 CA LEU A 78 2.784 2.296 -3.673 1.00 0.00 C ATOM 1181 C LEU A 78 3.878 2.700 -4.657 1.00 0.00 C ATOM 1182 O LEU A 78 4.482 3.754 -4.481 1.00 0.00 O ATOM 1183 CB LEU A 78 1.809 3.470 -3.449 1.00 0.00 C ATOM 1184 CG LEU A 78 1.066 3.537 -2.107 1.00 0.00 C ATOM 1185 CD1 LEU A 78 0.204 4.803 -2.080 1.00 0.00 C ATOM 1186 CD2 LEU A 78 0.160 2.332 -1.869 1.00 0.00 C ATOM 0 H LEU A 78 4.000 2.591 -2.004 1.00 0.00 H new ATOM 0 HA LEU A 78 2.177 1.476 -4.057 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.369 4.398 -3.569 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.063 3.443 -4.244 1.00 0.00 H new ATOM 0 HG LEU A 78 1.821 3.545 -1.321 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.328 4.860 -1.131 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.842 5.680 -2.192 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.516 4.771 -2.898 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.338 2.436 -0.905 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.588 2.277 -2.660 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.758 1.421 -1.872 1.00 0.00 H new ATOM 1198 N LEU A 79 4.144 1.890 -5.681 1.00 0.00 N ATOM 1199 CA LEU A 79 5.113 2.198 -6.723 1.00 0.00 C ATOM 1200 C LEU A 79 4.307 2.699 -7.910 1.00 0.00 C ATOM 1201 O LEU A 79 3.553 1.935 -8.508 1.00 0.00 O ATOM 1202 CB LEU A 79 5.928 0.957 -7.120 1.00 0.00 C ATOM 1203 CG LEU A 79 7.116 0.685 -6.186 1.00 0.00 C ATOM 1204 CD1 LEU A 79 6.693 0.152 -4.815 1.00 0.00 C ATOM 1205 CD2 LEU A 79 8.072 -0.319 -6.836 1.00 0.00 C ATOM 0 H LEU A 79 3.684 0.989 -5.809 1.00 0.00 H new ATOM 0 HA LEU A 79 5.830 2.941 -6.374 1.00 0.00 H new ATOM 0 HB2 LEU A 79 5.272 0.087 -7.125 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.297 1.084 -8.138 1.00 0.00 H new ATOM 0 HG LEU A 79 7.610 1.644 -6.027 1.00 0.00 H new ATOM 0 HD11 LEU A 79 7.578 -0.020 -4.203 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.048 0.881 -4.324 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.151 -0.785 -4.940 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.912 -0.507 -6.167 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.544 -1.253 -7.027 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.441 0.087 -7.778 1.00 0.00 H new ATOM 1217 N LEU A 80 4.455 3.975 -8.257 1.00 0.00 N ATOM 1218 CA LEU A 80 3.735 4.553 -9.372 1.00 0.00 C ATOM 1219 C LEU A 80 4.588 4.377 -10.620 1.00 0.00 C ATOM 1220 O LEU A 80 5.543 5.120 -10.832 1.00 0.00 O ATOM 1221 CB LEU A 80 3.398 6.007 -9.053 1.00 0.00 C ATOM 1222 CG LEU A 80 2.621 6.731 -10.166 1.00 0.00 C ATOM 1223 CD1 LEU A 80 1.620 5.863 -10.940 1.00 0.00 C ATOM 1224 CD2 LEU A 80 1.815 7.836 -9.491 1.00 0.00 C ATOM 0 H LEU A 80 5.073 4.627 -7.774 1.00 0.00 H new ATOM 0 HA LEU A 80 2.783 4.055 -9.553 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.811 6.040 -8.135 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.324 6.549 -8.859 1.00 0.00 H new ATOM 0 HG LEU A 80 3.361 7.072 -10.890 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.126 6.468 -11.701 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.148 5.038 -11.419 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.874 5.466 -10.251 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.244 8.381 -10.243 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.132 7.396 -8.765 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.493 8.522 -8.983 1.00 0.00 H new ATOM 1236 N PHE A 81 4.231 3.389 -11.436 1.00 0.00 N ATOM 1237 CA PHE A 81 4.897 3.072 -12.684 1.00 0.00 C ATOM 1238 C PHE A 81 4.302 3.922 -13.798 1.00 0.00 C ATOM 1239 O PHE A 81 3.093 4.136 -13.810 1.00 0.00 O ATOM 1240 CB PHE A 81 4.705 1.583 -12.996 1.00 0.00 C ATOM 1241 CG PHE A 81 5.684 0.676 -12.282 1.00 0.00 C ATOM 1242 CD1 PHE A 81 5.437 0.248 -10.967 1.00 0.00 C ATOM 1243 CD2 PHE A 81 6.841 0.243 -12.953 1.00 0.00 C ATOM 1244 CE1 PHE A 81 6.322 -0.648 -10.343 1.00 0.00 C ATOM 1245 CE2 PHE A 81 7.727 -0.653 -12.333 1.00 0.00 C ATOM 1246 CZ PHE A 81 7.474 -1.084 -11.020 1.00 0.00 C ATOM 0 H PHE A 81 3.445 2.771 -11.235 1.00 0.00 H new ATOM 0 HA PHE A 81 5.963 3.284 -12.603 1.00 0.00 H new ATOM 0 HB2 PHE A 81 3.690 1.293 -12.723 1.00 0.00 H new ATOM 0 HB3 PHE A 81 4.802 1.432 -14.071 1.00 0.00 H new ATOM 0 HD1 PHE A 81 4.568 0.607 -10.436 1.00 0.00 H new ATOM 0 HD2 PHE A 81 7.050 0.601 -13.950 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.117 -1.001 -9.343 1.00 0.00 H new ATOM 0 HE2 PHE A 81 8.598 -1.009 -12.863 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.166 -1.752 -10.530 1.00 0.00 H new ATOM 1256 N LYS A 82 5.128 4.369 -14.744 1.00 0.00 N ATOM 1257 CA LYS A 82 4.717 5.102 -15.929 1.00 0.00 C ATOM 1258 C LYS A 82 5.585 4.587 -17.070 1.00 0.00 C ATOM 1259 O LYS A 82 6.791 4.817 -17.073 1.00 0.00 O ATOM 1260 CB LYS A 82 4.859 6.620 -15.758 1.00 0.00 C ATOM 1261 CG LYS A 82 3.823 7.188 -14.782 1.00 0.00 C ATOM 1262 CD LYS A 82 3.880 8.724 -14.714 1.00 0.00 C ATOM 1263 CE LYS A 82 3.194 9.383 -15.919 1.00 0.00 C ATOM 1264 NZ LYS A 82 3.350 10.849 -15.894 1.00 0.00 N ATOM 0 H LYS A 82 6.136 4.222 -14.699 1.00 0.00 H new ATOM 0 HA LYS A 82 3.658 4.938 -16.129 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.861 6.852 -15.398 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.748 7.106 -16.727 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.825 6.875 -15.089 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.995 6.774 -13.788 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.402 9.063 -13.795 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.920 9.046 -14.669 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.617 8.987 -16.842 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.134 9.129 -15.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.678 11.281 -16.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.162 11.202 -14.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.321 11.100 -16.171 1.00 0.00 H new ATOM 1278 N ASN A 83 4.982 3.855 -18.010 1.00 0.00 N ATOM 1279 CA ASN A 83 5.696 3.260 -19.135 1.00 0.00 C ATOM 1280 C ASN A 83 6.840 2.378 -18.632 1.00 0.00 C ATOM 1281 O ASN A 83 8.017 2.686 -18.817 1.00 0.00 O ATOM 1282 CB ASN A 83 6.150 4.326 -20.146 1.00 0.00 C ATOM 1283 CG ASN A 83 6.644 3.704 -21.455 1.00 0.00 C ATOM 1284 OD1 ASN A 83 5.955 3.739 -22.467 1.00 0.00 O ATOM 1285 ND2 ASN A 83 7.832 3.111 -21.459 1.00 0.00 N ATOM 0 H ASN A 83 3.981 3.659 -18.009 1.00 0.00 H new ATOM 0 HA ASN A 83 5.011 2.612 -19.682 1.00 0.00 H new ATOM 0 HB2 ASN A 83 5.321 5.002 -20.356 1.00 0.00 H new ATOM 0 HB3 ASN A 83 6.947 4.926 -19.707 1.00 0.00 H new ATOM 0 HD21 ASN A 83 8.182 2.677 -22.313 1.00 0.00 H new ATOM 0 HD22 ASN A 83 8.394 3.090 -20.608 1.00 0.00 H new ATOM 1292 N GLY A 84 6.493 1.264 -17.986 1.00 0.00 N ATOM 1293 CA GLY A 84 7.453 0.277 -17.505 1.00 0.00 C ATOM 1294 C GLY A 84 8.370 0.701 -16.352 1.00 0.00 C ATOM 1295 O GLY A 84 8.750 -0.153 -15.553 1.00 0.00 O ATOM 0 H GLY A 84 5.524 1.021 -17.781 1.00 0.00 H new ATOM 0 HA2 GLY A 84 6.900 -0.608 -17.190 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.081 -0.022 -18.344 1.00 0.00 H new ATOM 1299 N GLU A 85 8.747 1.978 -16.247 1.00 0.00 N ATOM 1300 CA GLU A 85 9.653 2.475 -15.221 1.00 0.00 C ATOM 1301 C GLU A 85 8.884 3.094 -14.058 1.00 0.00 C ATOM 1302 O GLU A 85 7.764 3.568 -14.224 1.00 0.00 O ATOM 1303 CB GLU A 85 10.602 3.512 -15.839 1.00 0.00 C ATOM 1304 CG GLU A 85 11.355 2.965 -17.061 1.00 0.00 C ATOM 1305 CD GLU A 85 12.130 1.689 -16.745 1.00 0.00 C ATOM 1306 OE1 GLU A 85 12.950 1.743 -15.801 1.00 0.00 O ATOM 1307 OE2 GLU A 85 11.887 0.682 -17.445 1.00 0.00 O ATOM 0 H GLU A 85 8.423 2.704 -16.886 1.00 0.00 H new ATOM 0 HA GLU A 85 10.229 1.636 -14.830 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.031 4.393 -16.132 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.322 3.835 -15.087 1.00 0.00 H new ATOM 0 HG2 GLU A 85 10.644 2.766 -17.863 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.045 3.724 -17.429 1.00 0.00 H new ATOM 1314 N VAL A 86 9.512 3.108 -12.883 1.00 0.00 N ATOM 1315 CA VAL A 86 8.962 3.709 -11.675 1.00 0.00 C ATOM 1316 C VAL A 86 9.097 5.231 -11.784 1.00 0.00 C ATOM 1317 O VAL A 86 10.212 5.743 -11.852 1.00 0.00 O ATOM 1318 CB VAL A 86 9.690 3.165 -10.430 1.00 0.00 C ATOM 1319 CG1 VAL A 86 9.183 3.838 -9.148 1.00 0.00 C ATOM 1320 CG2 VAL A 86 9.471 1.654 -10.285 1.00 0.00 C ATOM 0 H VAL A 86 10.434 2.694 -12.744 1.00 0.00 H new ATOM 0 HA VAL A 86 7.908 3.453 -11.571 1.00 0.00 H new ATOM 0 HB VAL A 86 10.749 3.382 -10.567 1.00 0.00 H new ATOM 0 HG11 VAL A 86 9.716 3.432 -8.289 1.00 0.00 H new ATOM 0 HG12 VAL A 86 9.356 4.912 -9.208 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.116 3.648 -9.035 1.00 0.00 H new ATOM 0 HG21 VAL A 86 9.995 1.294 -9.399 1.00 0.00 H new ATOM 0 HG22 VAL A 86 8.405 1.449 -10.185 1.00 0.00 H new ATOM 0 HG23 VAL A 86 9.857 1.144 -11.167 1.00 0.00 H new ATOM 1330 N ALA A 87 7.974 5.953 -11.776 1.00 0.00 N ATOM 1331 CA ALA A 87 7.950 7.409 -11.809 1.00 0.00 C ATOM 1332 C ALA A 87 8.225 7.947 -10.407 1.00 0.00 C ATOM 1333 O ALA A 87 9.043 8.846 -10.227 1.00 0.00 O ATOM 1334 CB ALA A 87 6.590 7.902 -12.310 1.00 0.00 C ATOM 0 H ALA A 87 7.045 5.532 -11.746 1.00 0.00 H new ATOM 0 HA ALA A 87 8.719 7.771 -12.491 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.583 8.992 -12.331 1.00 0.00 H new ATOM 0 HB2 ALA A 87 6.412 7.519 -13.315 1.00 0.00 H new ATOM 0 HB3 ALA A 87 5.806 7.547 -11.642 1.00 0.00 H new ATOM 1340 N ALA A 88 7.538 7.385 -9.408 1.00 0.00 N ATOM 1341 CA ALA A 88 7.685 7.759 -8.010 1.00 0.00 C ATOM 1342 C ALA A 88 7.232 6.593 -7.143 1.00 0.00 C ATOM 1343 O ALA A 88 6.701 5.599 -7.647 1.00 0.00 O ATOM 1344 CB ALA A 88 6.870 9.019 -7.707 1.00 0.00 C ATOM 0 H ALA A 88 6.853 6.644 -9.558 1.00 0.00 H new ATOM 0 HA ALA A 88 8.729 7.984 -7.793 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.990 9.286 -6.657 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.222 9.839 -8.333 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.817 8.830 -7.915 1.00 0.00 H new ATOM 1350 N THR A 89 7.450 6.689 -5.832 1.00 0.00 N ATOM 1351 CA THR A 89 7.090 5.634 -4.901 1.00 0.00 C ATOM 1352 C THR A 89 6.749 6.231 -3.537 1.00 0.00 C ATOM 1353 O THR A 89 7.308 7.258 -3.156 1.00 0.00 O ATOM 1354 CB THR A 89 8.241 4.617 -4.823 1.00 0.00 C ATOM 1355 OG1 THR A 89 8.438 4.027 -6.090 1.00 0.00 O ATOM 1356 CG2 THR A 89 7.990 3.494 -3.812 1.00 0.00 C ATOM 0 H THR A 89 7.881 7.502 -5.391 1.00 0.00 H new ATOM 0 HA THR A 89 6.200 5.109 -5.249 1.00 0.00 H new ATOM 0 HB THR A 89 9.119 5.174 -4.495 1.00 0.00 H new ATOM 0 HG1 THR A 89 9.173 3.380 -6.039 1.00 0.00 H new ATOM 0 HG21 THR A 89 8.840 2.812 -3.807 1.00 0.00 H new ATOM 0 HG22 THR A 89 7.862 3.922 -2.818 1.00 0.00 H new ATOM 0 HG23 THR A 89 7.089 2.948 -4.091 1.00 0.00 H new ATOM 1364 N LYS A 90 5.837 5.571 -2.819 1.00 0.00 N ATOM 1365 CA LYS A 90 5.391 5.906 -1.476 1.00 0.00 C ATOM 1366 C LYS A 90 5.456 4.632 -0.636 1.00 0.00 C ATOM 1367 O LYS A 90 5.324 3.531 -1.173 1.00 0.00 O ATOM 1368 CB LYS A 90 3.963 6.467 -1.528 1.00 0.00 C ATOM 1369 CG LYS A 90 3.942 7.943 -1.944 1.00 0.00 C ATOM 1370 CD LYS A 90 4.343 8.853 -0.771 1.00 0.00 C ATOM 1371 CE LYS A 90 4.290 10.336 -1.153 1.00 0.00 C ATOM 1372 NZ LYS A 90 2.917 10.780 -1.448 1.00 0.00 N ATOM 0 H LYS A 90 5.367 4.743 -3.185 1.00 0.00 H new ATOM 0 HA LYS A 90 6.027 6.671 -1.030 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.369 5.883 -2.231 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.495 6.359 -0.550 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.625 8.099 -2.779 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.945 8.212 -2.293 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.677 8.672 0.073 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.351 8.599 -0.443 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.698 10.935 -0.339 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.922 10.509 -2.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.841 11.805 -1.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.689 10.568 -2.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.250 10.281 -0.826 1.00 0.00 H new ATOM 1386 N VAL A 91 5.673 4.787 0.671 1.00 0.00 N ATOM 1387 CA VAL A 91 5.795 3.701 1.631 1.00 0.00 C ATOM 1388 C VAL A 91 4.860 4.023 2.795 1.00 0.00 C ATOM 1389 O VAL A 91 4.877 5.151 3.287 1.00 0.00 O ATOM 1390 CB VAL A 91 7.259 3.599 2.110 1.00 0.00 C ATOM 1391 CG1 VAL A 91 7.469 2.334 2.953 1.00 0.00 C ATOM 1392 CG2 VAL A 91 8.256 3.579 0.941 1.00 0.00 C ATOM 0 H VAL A 91 5.771 5.707 1.100 1.00 0.00 H new ATOM 0 HA VAL A 91 5.524 2.743 1.188 1.00 0.00 H new ATOM 0 HB VAL A 91 7.447 4.488 2.712 1.00 0.00 H new ATOM 0 HG11 VAL A 91 8.508 2.283 3.280 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.815 2.365 3.825 1.00 0.00 H new ATOM 0 HG13 VAL A 91 7.233 1.454 2.354 1.00 0.00 H new ATOM 0 HG21 VAL A 91 9.272 3.506 1.330 1.00 0.00 H new ATOM 0 HG22 VAL A 91 8.050 2.720 0.302 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.155 4.496 0.361 1.00 0.00 H new ATOM 1402 N GLY A 92 4.042 3.060 3.222 1.00 0.00 N ATOM 1403 CA GLY A 92 3.094 3.243 4.308 1.00 0.00 C ATOM 1404 C GLY A 92 1.752 3.762 3.796 1.00 0.00 C ATOM 1405 O GLY A 92 1.551 3.940 2.594 1.00 0.00 O ATOM 0 H GLY A 92 4.023 2.124 2.816 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.945 2.296 4.827 1.00 0.00 H new ATOM 0 HA3 GLY A 92 3.503 3.944 5.036 1.00 0.00 H new ATOM 1409 N ALA A 93 0.818 3.992 4.723 1.00 0.00 N ATOM 1410 CA ALA A 93 -0.511 4.484 4.398 1.00 0.00 C ATOM 1411 C ALA A 93 -0.463 5.961 3.993 1.00 0.00 C ATOM 1412 O ALA A 93 0.526 6.649 4.236 1.00 0.00 O ATOM 1413 CB ALA A 93 -1.447 4.266 5.591 1.00 0.00 C ATOM 0 H ALA A 93 0.969 3.840 5.720 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.897 3.926 3.545 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.442 4.636 5.345 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.502 3.202 5.821 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.064 4.805 6.457 1.00 0.00 H new ATOM 1419 N LEU A 94 -1.552 6.449 3.394 1.00 0.00 N ATOM 1420 CA LEU A 94 -1.703 7.824 2.945 1.00 0.00 C ATOM 1421 C LEU A 94 -3.154 8.240 3.140 1.00 0.00 C ATOM 1422 O LEU A 94 -4.054 7.408 3.035 1.00 0.00 O ATOM 1423 CB LEU A 94 -1.383 7.919 1.445 1.00 0.00 C ATOM 1424 CG LEU A 94 0.030 8.431 1.154 1.00 0.00 C ATOM 1425 CD1 LEU A 94 0.414 8.060 -0.275 1.00 0.00 C ATOM 1426 CD2 LEU A 94 0.036 9.956 1.238 1.00 0.00 C ATOM 0 H LEU A 94 -2.375 5.876 3.205 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.029 8.466 3.512 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.505 6.935 0.992 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.106 8.581 0.968 1.00 0.00 H new ATOM 0 HG LEU A 94 0.723 7.994 1.873 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.420 8.423 -0.487 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.387 6.976 -0.389 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.290 8.516 -0.971 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.040 10.328 1.032 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.660 10.364 0.505 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.268 10.267 2.238 1.00 0.00 H new ATOM 1438 N SER A 95 -3.380 9.537 3.356 1.00 0.00 N ATOM 1439 CA SER A 95 -4.705 10.112 3.410 1.00 0.00 C ATOM 1440 C SER A 95 -5.111 10.407 1.964 1.00 0.00 C ATOM 1441 O SER A 95 -4.256 10.677 1.113 1.00 0.00 O ATOM 1442 CB SER A 95 -4.656 11.371 4.279 1.00 0.00 C ATOM 1443 OG SER A 95 -3.519 12.142 3.939 1.00 0.00 O ATOM 0 H SER A 95 -2.633 10.217 3.499 1.00 0.00 H new ATOM 0 HA SER A 95 -5.443 9.446 3.857 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.562 11.959 4.135 1.00 0.00 H new ATOM 0 HB3 SER A 95 -4.619 11.096 5.333 1.00 0.00 H new ATOM 0 HG SER A 95 -2.772 11.900 4.525 1.00 0.00 H new ATOM 1449 N LYS A 96 -6.414 10.338 1.670 1.00 0.00 N ATOM 1450 CA LYS A 96 -6.911 10.542 0.317 1.00 0.00 C ATOM 1451 C LYS A 96 -6.383 11.845 -0.288 1.00 0.00 C ATOM 1452 O LYS A 96 -5.948 11.845 -1.431 1.00 0.00 O ATOM 1453 CB LYS A 96 -8.442 10.450 0.282 1.00 0.00 C ATOM 1454 CG LYS A 96 -8.930 10.345 -1.170 1.00 0.00 C ATOM 1455 CD LYS A 96 -10.437 10.080 -1.235 1.00 0.00 C ATOM 1456 CE LYS A 96 -10.853 9.889 -2.697 1.00 0.00 C ATOM 1457 NZ LYS A 96 -12.297 9.622 -2.819 1.00 0.00 N ATOM 0 H LYS A 96 -7.141 10.141 2.358 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.527 9.740 -0.313 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -8.775 9.581 0.850 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -8.878 11.328 0.758 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.698 11.268 -1.701 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -8.396 9.542 -1.678 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -10.687 9.192 -0.654 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -10.984 10.914 -0.795 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -10.598 10.782 -3.268 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -10.291 9.062 -3.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -12.535 9.448 -3.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -12.544 8.786 -2.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -12.832 10.444 -2.474 1.00 0.00 H new ATOM 1471 N GLY A 97 -6.404 12.948 0.465 1.00 0.00 N ATOM 1472 CA GLY A 97 -5.914 14.233 -0.021 1.00 0.00 C ATOM 1473 C GLY A 97 -4.464 14.144 -0.504 1.00 0.00 C ATOM 1474 O GLY A 97 -4.156 14.480 -1.646 1.00 0.00 O ATOM 0 H GLY A 97 -6.759 12.972 1.421 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -6.548 14.578 -0.837 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -5.987 14.974 0.775 1.00 0.00 H new ATOM 1478 N GLN A 98 -3.563 13.671 0.364 1.00 0.00 N ATOM 1479 CA GLN A 98 -2.155 13.524 0.029 1.00 0.00 C ATOM 1480 C GLN A 98 -1.999 12.633 -1.204 1.00 0.00 C ATOM 1481 O GLN A 98 -1.275 12.977 -2.138 1.00 0.00 O ATOM 1482 CB GLN A 98 -1.412 12.934 1.229 1.00 0.00 C ATOM 1483 CG GLN A 98 -1.366 13.856 2.451 1.00 0.00 C ATOM 1484 CD GLN A 98 -0.483 15.079 2.221 1.00 0.00 C ATOM 1485 OE1 GLN A 98 0.715 15.041 2.477 1.00 0.00 O ATOM 1486 NE2 GLN A 98 -1.060 16.173 1.735 1.00 0.00 N ATOM 0 H GLN A 98 -3.795 13.382 1.314 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.728 14.499 -0.205 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -1.889 11.996 1.513 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.392 12.695 0.929 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -2.377 14.182 2.696 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -0.994 13.298 3.310 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -2.059 16.175 1.531 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -0.503 17.011 1.565 1.00 0.00 H new ATOM 1495 N LEU A 99 -2.686 11.488 -1.208 1.00 0.00 N ATOM 1496 CA LEU A 99 -2.647 10.568 -2.330 1.00 0.00 C ATOM 1497 C LEU A 99 -3.079 11.276 -3.620 1.00 0.00 C ATOM 1498 O LEU A 99 -2.347 11.241 -4.603 1.00 0.00 O ATOM 1499 CB LEU A 99 -3.499 9.337 -1.993 1.00 0.00 C ATOM 1500 CG LEU A 99 -3.509 8.236 -3.063 1.00 0.00 C ATOM 1501 CD1 LEU A 99 -2.109 7.711 -3.397 1.00 0.00 C ATOM 1502 CD2 LEU A 99 -4.337 7.073 -2.513 1.00 0.00 C ATOM 0 H LEU A 99 -3.278 11.181 -0.437 1.00 0.00 H new ATOM 0 HA LEU A 99 -1.629 10.222 -2.509 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.137 8.909 -1.058 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.525 9.662 -1.819 1.00 0.00 H new ATOM 0 HG LEU A 99 -3.923 8.657 -3.979 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.184 6.935 -4.159 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.493 8.529 -3.771 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.653 7.294 -2.499 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.367 6.268 -3.248 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -3.883 6.707 -1.592 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -5.351 7.414 -2.307 1.00 0.00 H new ATOM 1514 N LYS A 100 -4.232 11.954 -3.619 1.00 0.00 N ATOM 1515 CA LYS A 100 -4.719 12.707 -4.770 1.00 0.00 C ATOM 1516 C LYS A 100 -3.637 13.664 -5.276 1.00 0.00 C ATOM 1517 O LYS A 100 -3.343 13.682 -6.471 1.00 0.00 O ATOM 1518 CB LYS A 100 -5.993 13.491 -4.409 1.00 0.00 C ATOM 1519 CG LYS A 100 -7.253 12.621 -4.261 1.00 0.00 C ATOM 1520 CD LYS A 100 -7.822 12.047 -5.566 1.00 0.00 C ATOM 1521 CE LYS A 100 -8.632 13.027 -6.430 1.00 0.00 C ATOM 1522 NZ LYS A 100 -7.784 13.948 -7.206 1.00 0.00 N ATOM 0 H LYS A 100 -4.854 11.993 -2.812 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.962 11.999 -5.563 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -5.824 14.026 -3.474 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.173 14.242 -5.178 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.024 11.793 -3.591 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.029 13.216 -3.779 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.995 11.663 -6.163 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.459 11.197 -5.320 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -9.265 12.462 -7.114 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -9.295 13.607 -5.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -8.315 14.300 -8.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -7.503 14.750 -6.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -6.934 13.445 -7.533 1.00 0.00 H new ATOM 1536 N GLU A 101 -3.035 14.446 -4.373 1.00 0.00 N ATOM 1537 CA GLU A 101 -1.983 15.382 -4.751 1.00 0.00 C ATOM 1538 C GLU A 101 -0.812 14.640 -5.406 1.00 0.00 C ATOM 1539 O GLU A 101 -0.368 15.018 -6.489 1.00 0.00 O ATOM 1540 CB GLU A 101 -1.525 16.204 -3.540 1.00 0.00 C ATOM 1541 CG GLU A 101 -2.615 17.153 -3.023 1.00 0.00 C ATOM 1542 CD GLU A 101 -2.968 18.235 -4.040 1.00 0.00 C ATOM 1543 OE1 GLU A 101 -2.129 19.144 -4.212 1.00 0.00 O ATOM 1544 OE2 GLU A 101 -4.066 18.126 -4.629 1.00 0.00 O ATOM 0 H GLU A 101 -3.261 14.446 -3.378 1.00 0.00 H new ATOM 0 HA GLU A 101 -2.386 16.079 -5.486 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.227 15.528 -2.738 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.643 16.784 -3.812 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.509 16.579 -2.781 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.277 17.622 -2.099 1.00 0.00 H new ATOM 1551 N PHE A 102 -0.321 13.581 -4.761 1.00 0.00 N ATOM 1552 CA PHE A 102 0.775 12.764 -5.270 1.00 0.00 C ATOM 1553 C PHE A 102 0.472 12.266 -6.687 1.00 0.00 C ATOM 1554 O PHE A 102 1.267 12.449 -7.612 1.00 0.00 O ATOM 1555 CB PHE A 102 1.016 11.594 -4.306 1.00 0.00 C ATOM 1556 CG PHE A 102 2.031 10.566 -4.772 1.00 0.00 C ATOM 1557 CD1 PHE A 102 3.406 10.861 -4.748 1.00 0.00 C ATOM 1558 CD2 PHE A 102 1.599 9.293 -5.192 1.00 0.00 C ATOM 1559 CE1 PHE A 102 4.346 9.874 -5.098 1.00 0.00 C ATOM 1560 CE2 PHE A 102 2.537 8.314 -5.563 1.00 0.00 C ATOM 1561 CZ PHE A 102 3.912 8.600 -5.506 1.00 0.00 C ATOM 0 H PHE A 102 -0.679 13.265 -3.860 1.00 0.00 H new ATOM 0 HA PHE A 102 1.681 13.367 -5.330 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.345 11.996 -3.348 1.00 0.00 H new ATOM 0 HB3 PHE A 102 0.066 11.089 -4.130 1.00 0.00 H new ATOM 0 HD1 PHE A 102 3.741 11.847 -4.460 1.00 0.00 H new ATOM 0 HD2 PHE A 102 0.543 9.068 -5.229 1.00 0.00 H new ATOM 0 HE1 PHE A 102 5.402 10.095 -5.053 1.00 0.00 H new ATOM 0 HE2 PHE A 102 2.201 7.342 -5.892 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.634 7.843 -5.775 1.00 0.00 H new ATOM 1571 N LEU A 103 -0.689 11.635 -6.861 1.00 0.00 N ATOM 1572 CA LEU A 103 -1.106 11.098 -8.144 1.00 0.00 C ATOM 1573 C LEU A 103 -1.194 12.210 -9.181 1.00 0.00 C ATOM 1574 O LEU A 103 -0.624 12.080 -10.260 1.00 0.00 O ATOM 1575 CB LEU A 103 -2.437 10.354 -8.002 1.00 0.00 C ATOM 1576 CG LEU A 103 -2.332 9.134 -7.076 1.00 0.00 C ATOM 1577 CD1 LEU A 103 -3.716 8.506 -6.925 1.00 0.00 C ATOM 1578 CD2 LEU A 103 -1.321 8.101 -7.571 1.00 0.00 C ATOM 0 H LEU A 103 -1.364 11.485 -6.111 1.00 0.00 H new ATOM 0 HA LEU A 103 -0.360 10.382 -8.489 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.192 11.037 -7.613 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -2.776 10.031 -8.986 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.966 9.476 -6.108 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -3.652 7.638 -6.269 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -4.402 9.236 -6.495 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.083 8.195 -7.903 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.289 7.261 -6.877 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.618 7.745 -8.558 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.334 8.559 -7.632 1.00 0.00 H new ATOM 1590 N ASP A 104 -1.878 13.310 -8.859 1.00 0.00 N ATOM 1591 CA ASP A 104 -1.999 14.443 -9.764 1.00 0.00 C ATOM 1592 C ASP A 104 -0.614 14.927 -10.199 1.00 0.00 C ATOM 1593 O ASP A 104 -0.353 15.066 -11.391 1.00 0.00 O ATOM 1594 CB ASP A 104 -2.795 15.567 -9.096 1.00 0.00 C ATOM 1595 CG ASP A 104 -2.943 16.755 -10.039 1.00 0.00 C ATOM 1596 OD1 ASP A 104 -3.873 16.697 -10.874 1.00 0.00 O ATOM 1597 OD2 ASP A 104 -2.121 17.687 -9.917 1.00 0.00 O ATOM 0 H ASP A 104 -2.359 13.435 -7.968 1.00 0.00 H new ATOM 0 HA ASP A 104 -2.539 14.129 -10.657 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -3.780 15.200 -8.808 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -2.292 15.882 -8.182 1.00 0.00 H new ATOM 1602 N ALA A 105 0.276 15.157 -9.231 1.00 0.00 N ATOM 1603 CA ALA A 105 1.639 15.605 -9.480 1.00 0.00 C ATOM 1604 C ALA A 105 2.390 14.645 -10.407 1.00 0.00 C ATOM 1605 O ALA A 105 3.169 15.085 -11.247 1.00 0.00 O ATOM 1606 CB ALA A 105 2.380 15.772 -8.150 1.00 0.00 C ATOM 0 H ALA A 105 0.063 15.034 -8.241 1.00 0.00 H new ATOM 0 HA ALA A 105 1.594 16.569 -9.987 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.399 16.107 -8.341 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.864 16.510 -7.536 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.405 14.817 -7.625 1.00 0.00 H new ATOM 1612 N ASN A 106 2.151 13.336 -10.273 1.00 0.00 N ATOM 1613 CA ASN A 106 2.840 12.344 -11.093 1.00 0.00 C ATOM 1614 C ASN A 106 2.229 12.293 -12.490 1.00 0.00 C ATOM 1615 O ASN A 106 2.961 12.226 -13.473 1.00 0.00 O ATOM 1616 CB ASN A 106 2.745 10.953 -10.458 1.00 0.00 C ATOM 1617 CG ASN A 106 3.862 10.704 -9.456 1.00 0.00 C ATOM 1618 OD1 ASN A 106 4.875 10.107 -9.799 1.00 0.00 O ATOM 1619 ND2 ASN A 106 3.684 11.137 -8.213 1.00 0.00 N ATOM 0 H ASN A 106 1.487 12.944 -9.606 1.00 0.00 H new ATOM 0 HA ASN A 106 3.888 12.638 -11.161 1.00 0.00 H new ATOM 0 HB2 ASN A 106 1.781 10.848 -9.960 1.00 0.00 H new ATOM 0 HB3 ASN A 106 2.784 10.195 -11.240 1.00 0.00 H new ATOM 0 HD21 ASN A 106 4.404 10.976 -7.509 1.00 0.00 H new ATOM 0 HD22 ASN A 106 2.827 11.631 -7.963 1.00 0.00 H new ATOM 1626 N LEU A 107 0.900 12.323 -12.596 1.00 0.00 N ATOM 1627 CA LEU A 107 0.219 12.307 -13.880 1.00 0.00 C ATOM 1628 C LEU A 107 0.622 13.552 -14.672 1.00 0.00 C ATOM 1629 O LEU A 107 0.991 13.457 -15.841 1.00 0.00 O ATOM 1630 CB LEU A 107 -1.296 12.236 -13.653 1.00 0.00 C ATOM 1631 CG LEU A 107 -1.750 10.860 -13.130 1.00 0.00 C ATOM 1632 CD1 LEU A 107 -3.149 10.984 -12.520 1.00 0.00 C ATOM 1633 CD2 LEU A 107 -1.777 9.811 -14.250 1.00 0.00 C ATOM 0 H LEU A 107 0.272 12.359 -11.793 1.00 0.00 H new ATOM 0 HA LEU A 107 0.507 11.430 -14.459 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -1.590 13.007 -12.941 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -1.811 12.453 -14.589 1.00 0.00 H new ATOM 0 HG LEU A 107 -1.034 10.533 -12.376 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -3.472 10.011 -12.149 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -3.125 11.697 -11.696 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -3.848 11.333 -13.280 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -2.102 8.853 -13.844 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -2.470 10.128 -15.029 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -0.778 9.705 -14.674 1.00 0.00 H new ATOM 1645 N ALA A 108 0.583 14.720 -14.026 1.00 0.00 N ATOM 1646 CA ALA A 108 0.987 15.978 -14.631 1.00 0.00 C ATOM 1647 C ALA A 108 2.463 15.908 -15.026 1.00 0.00 C ATOM 1648 O ALA A 108 2.960 16.786 -15.729 1.00 0.00 O ATOM 1649 CB ALA A 108 0.732 17.123 -13.648 1.00 0.00 C ATOM 0 H ALA A 108 0.267 14.813 -13.061 1.00 0.00 H new ATOM 0 HA ALA A 108 0.401 16.162 -15.532 1.00 0.00 H new ATOM 0 HB1 ALA A 108 1.035 18.067 -14.102 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -0.329 17.163 -13.403 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.308 16.956 -12.738 1.00 0.00 H new TER 1655 ALA A 108