USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 777 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 CYS SG : rot -9:sc= 1.16 USER MOD Set 1.2: A 82 GLN : amide:sc= 1.25 K(o=2.4,f=-5!) USER MOD Set 2.1: A 25 SER OG : rot 180:sc= -0.102 USER MOD Set 2.2: A 47 GLN : amide:sc= -0.265 K(o=-0.37,f=-0.94) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -166:sc= 0 (180deg=-0.135) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0411 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.0186 K(o=-0.019,f=-1.4) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.0626 X(o=-0.063,f=0) USER MOD Single : A 21 CYS SG : rot 180:sc= -1.07 USER MOD Single : A 26 GLN : amide:sc= -0.161 K(o=-0.16,f=-0.93) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.111 USER MOD Single : A 31 SER OG : rot 180:sc= -0.305 USER MOD Single : A 37 HIS : no HD1:sc= -0.231 X(o=-0.23,f=-0.12) USER MOD Single : A 40 GLN : amide:sc= -0.236 X(o=-0.24,f=-0.0029) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0158 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -170:sc= -1.22 USER MOD Single : A 56 ASN : amide:sc= 0.4 K(o=0.4,f=-0.28) USER MOD Single : A 62 HIS : no HD1:sc= -0.661 K(o=-0.66,f=-0.045) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.5) USER MOD Single : A 68 GLN : amide:sc= -0.842 K(o=-0.84,f=-2.1!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 HIS : no HD1:sc= -0.19 X(o=-0.19,f=-0.29) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.174 -7.681 -17.875 1.00 0.00 N ATOM 2 CA MET A 1 -5.198 -6.559 -16.901 1.00 0.00 C ATOM 3 C MET A 1 -4.619 -5.287 -17.511 1.00 0.00 C ATOM 4 O MET A 1 -3.403 -5.145 -17.637 1.00 0.00 O ATOM 5 CB MET A 1 -4.391 -6.968 -15.667 1.00 0.00 C ATOM 6 CG MET A 1 -5.090 -8.000 -14.798 1.00 0.00 C ATOM 7 SD MET A 1 -4.033 -8.626 -13.478 1.00 0.00 S ATOM 8 CE MET A 1 -4.807 -10.206 -13.145 1.00 0.00 C ATOM 0 H1 MET A 1 -5.778 -8.454 -17.529 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.529 -7.350 -18.795 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.199 -8.026 -17.984 1.00 0.00 H new ATOM 0 HA MET A 1 -6.231 -6.349 -16.622 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.429 -7.367 -15.988 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.184 -6.081 -15.068 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.985 -7.556 -14.362 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.418 -8.832 -15.421 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.265 -10.716 -12.348 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.841 -10.047 -12.837 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.787 -10.818 -14.047 1.00 0.00 H new ATOM 17 N LYS A 2 -5.498 -4.364 -17.888 1.00 0.00 N ATOM 18 CA LYS A 2 -5.073 -3.103 -18.485 1.00 0.00 C ATOM 19 C LYS A 2 -4.827 -2.049 -17.411 1.00 0.00 C ATOM 20 O LYS A 2 -5.051 -2.292 -16.225 1.00 0.00 O ATOM 21 CB LYS A 2 -6.126 -2.603 -19.476 1.00 0.00 C ATOM 22 CG LYS A 2 -5.543 -1.796 -20.626 1.00 0.00 C ATOM 23 CD LYS A 2 -5.971 -2.354 -21.975 1.00 0.00 C ATOM 24 CE LYS A 2 -6.221 -1.244 -22.983 1.00 0.00 C ATOM 25 NZ LYS A 2 -7.531 -0.573 -22.757 1.00 0.00 N ATOM 0 H LYS A 2 -6.508 -4.466 -17.791 1.00 0.00 H new ATOM 0 HA LYS A 2 -4.138 -3.278 -19.017 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -6.667 -3.458 -19.881 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -6.852 -1.989 -18.943 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -5.864 -0.758 -20.542 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -4.455 -1.799 -20.559 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -5.199 -3.024 -22.354 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -6.877 -2.947 -21.854 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -5.420 -0.508 -22.918 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -6.194 -1.657 -23.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -7.663 0.177 -23.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -8.298 -1.270 -22.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -7.548 -0.157 -21.804 1.00 0.00 H new ATOM 39 N THR A 3 -4.365 -0.877 -17.835 1.00 0.00 N ATOM 40 CA THR A 3 -4.088 0.215 -16.909 1.00 0.00 C ATOM 41 C THR A 3 -5.351 0.628 -16.160 1.00 0.00 C ATOM 42 O THR A 3 -5.296 1.005 -14.990 1.00 0.00 O ATOM 43 CB THR A 3 -3.512 1.416 -17.661 1.00 0.00 C ATOM 44 OG1 THR A 3 -4.083 1.519 -18.953 1.00 0.00 O ATOM 45 CG2 THR A 3 -2.009 1.353 -17.827 1.00 0.00 C ATOM 0 H THR A 3 -4.175 -0.659 -18.813 1.00 0.00 H new ATOM 0 HA THR A 3 -3.355 -0.136 -16.183 1.00 0.00 H new ATOM 0 HB THR A 3 -3.758 2.285 -17.050 1.00 0.00 H new ATOM 0 HG1 THR A 3 -3.703 2.294 -19.418 1.00 0.00 H new ATOM 0 HG21 THR A 3 -1.665 2.234 -18.368 1.00 0.00 H new ATOM 0 HG22 THR A 3 -1.536 1.322 -16.846 1.00 0.00 H new ATOM 0 HG23 THR A 3 -1.742 0.457 -18.387 1.00 0.00 H new ATOM 53 N ALA A 4 -6.489 0.554 -16.844 1.00 0.00 N ATOM 54 CA ALA A 4 -7.766 0.920 -16.244 1.00 0.00 C ATOM 55 C ALA A 4 -8.082 0.037 -15.042 1.00 0.00 C ATOM 56 O ALA A 4 -8.518 0.523 -13.998 1.00 0.00 O ATOM 57 CB ALA A 4 -8.879 0.828 -17.276 1.00 0.00 C ATOM 0 H ALA A 4 -6.552 0.244 -17.814 1.00 0.00 H new ATOM 0 HA ALA A 4 -7.693 1.950 -15.895 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -9.827 1.104 -16.814 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -8.666 1.507 -18.102 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -8.943 -0.193 -17.653 1.00 0.00 H new ATOM 63 N LEU A 5 -7.860 -1.264 -15.196 1.00 0.00 N ATOM 64 CA LEU A 5 -8.121 -2.216 -14.122 1.00 0.00 C ATOM 65 C LEU A 5 -7.111 -2.054 -12.991 1.00 0.00 C ATOM 66 O LEU A 5 -7.430 -2.277 -11.823 1.00 0.00 O ATOM 67 CB LEU A 5 -8.075 -3.648 -14.660 1.00 0.00 C ATOM 68 CG LEU A 5 -9.360 -4.126 -15.340 1.00 0.00 C ATOM 69 CD1 LEU A 5 -9.293 -3.879 -16.839 1.00 0.00 C ATOM 70 CD2 LEU A 5 -9.599 -5.601 -15.051 1.00 0.00 C ATOM 0 H LEU A 5 -7.500 -1.683 -16.053 1.00 0.00 H new ATOM 0 HA LEU A 5 -9.116 -2.014 -13.727 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -7.254 -3.726 -15.373 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -7.846 -4.323 -13.835 1.00 0.00 H new ATOM 0 HG LEU A 5 -10.197 -3.557 -14.935 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -10.215 -4.225 -17.306 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -9.169 -2.812 -17.027 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -8.447 -4.422 -17.260 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -10.517 -5.924 -15.542 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -8.760 -6.186 -15.428 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -9.691 -5.751 -13.975 1.00 0.00 H new ATOM 82 N LEU A 6 -5.891 -1.664 -13.346 1.00 0.00 N ATOM 83 CA LEU A 6 -4.833 -1.472 -12.360 1.00 0.00 C ATOM 84 C LEU A 6 -5.167 -0.318 -11.420 1.00 0.00 C ATOM 85 O LEU A 6 -5.092 -0.457 -10.199 1.00 0.00 O ATOM 86 CB LEU A 6 -3.498 -1.206 -13.060 1.00 0.00 C ATOM 87 CG LEU A 6 -2.685 -2.457 -13.398 1.00 0.00 C ATOM 88 CD1 LEU A 6 -1.581 -2.123 -14.389 1.00 0.00 C ATOM 89 CD2 LEU A 6 -2.102 -3.069 -12.133 1.00 0.00 C ATOM 0 H LEU A 6 -5.610 -1.475 -14.308 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.751 -2.384 -11.769 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.691 -0.657 -13.981 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.894 -0.559 -12.424 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.350 -3.188 -13.859 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.013 -3.025 -14.618 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.021 -1.729 -15.305 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.917 -1.376 -13.955 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.527 -3.958 -12.391 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.451 -2.344 -11.645 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.911 -3.344 -11.456 1.00 0.00 H new ATOM 101 N LEU A 7 -5.533 0.822 -11.998 1.00 0.00 N ATOM 102 CA LEU A 7 -5.878 2.001 -11.212 1.00 0.00 C ATOM 103 C LEU A 7 -7.133 1.757 -10.382 1.00 0.00 C ATOM 104 O LEU A 7 -7.191 2.115 -9.205 1.00 0.00 O ATOM 105 CB LEU A 7 -6.088 3.207 -12.131 1.00 0.00 C ATOM 106 CG LEU A 7 -5.914 4.572 -11.459 1.00 0.00 C ATOM 107 CD1 LEU A 7 -4.601 5.213 -11.881 1.00 0.00 C ATOM 108 CD2 LEU A 7 -7.085 5.485 -11.791 1.00 0.00 C ATOM 0 H LEU A 7 -5.598 0.954 -13.007 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.051 2.207 -10.533 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.387 3.137 -12.963 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.091 3.152 -12.553 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.891 4.422 -10.380 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.496 6.182 -11.393 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.771 4.568 -11.590 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.593 5.349 -12.962 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.943 6.450 -11.304 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.141 5.627 -12.870 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.011 5.033 -11.436 1.00 0.00 H new ATOM 120 N GLU A 8 -8.137 1.146 -11.002 1.00 0.00 N ATOM 121 CA GLU A 8 -9.394 0.855 -10.322 1.00 0.00 C ATOM 122 C GLU A 8 -9.178 -0.124 -9.171 1.00 0.00 C ATOM 123 O GLU A 8 -9.753 0.033 -8.093 1.00 0.00 O ATOM 124 CB GLU A 8 -10.413 0.285 -11.312 1.00 0.00 C ATOM 125 CG GLU A 8 -11.692 1.102 -11.406 1.00 0.00 C ATOM 126 CD GLU A 8 -12.925 0.301 -11.035 1.00 0.00 C ATOM 127 OE1 GLU A 8 -12.838 -0.527 -10.104 1.00 0.00 O ATOM 128 OE2 GLU A 8 -13.978 0.502 -11.677 1.00 0.00 O ATOM 0 H GLU A 8 -8.105 0.842 -11.975 1.00 0.00 H new ATOM 0 HA GLU A 8 -9.781 1.787 -9.911 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.955 0.227 -12.299 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.663 -0.734 -11.017 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.615 1.968 -10.749 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.802 1.482 -12.422 1.00 0.00 H new ATOM 135 N LYS A 9 -8.349 -1.135 -9.407 1.00 0.00 N ATOM 136 CA LYS A 9 -8.059 -2.140 -8.391 1.00 0.00 C ATOM 137 C LYS A 9 -7.178 -1.563 -7.287 1.00 0.00 C ATOM 138 O LYS A 9 -7.455 -1.742 -6.101 1.00 0.00 O ATOM 139 CB LYS A 9 -7.374 -3.352 -9.025 1.00 0.00 C ATOM 140 CG LYS A 9 -7.204 -4.524 -8.072 1.00 0.00 C ATOM 141 CD LYS A 9 -7.084 -5.842 -8.822 1.00 0.00 C ATOM 142 CE LYS A 9 -5.830 -6.603 -8.422 1.00 0.00 C ATOM 143 NZ LYS A 9 -6.073 -7.503 -7.261 1.00 0.00 N ATOM 0 H LYS A 9 -7.866 -1.280 -10.293 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.004 -2.455 -7.948 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.956 -3.677 -9.887 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.394 -3.052 -9.396 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -6.315 -4.370 -7.460 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.055 -4.568 -7.392 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.962 -6.456 -8.622 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.067 -5.650 -9.895 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.476 -7.191 -9.269 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.040 -5.895 -8.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.194 -8.003 -7.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.386 -6.940 -6.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.809 -8.195 -7.507 1.00 0.00 H new ATOM 157 N LEU A 10 -6.115 -0.872 -7.685 1.00 0.00 N ATOM 158 CA LEU A 10 -5.192 -0.271 -6.729 1.00 0.00 C ATOM 159 C LEU A 10 -5.900 0.770 -5.868 1.00 0.00 C ATOM 160 O LEU A 10 -5.842 0.716 -4.639 1.00 0.00 O ATOM 161 CB LEU A 10 -4.014 0.372 -7.463 1.00 0.00 C ATOM 162 CG LEU A 10 -2.809 -0.544 -7.680 1.00 0.00 C ATOM 163 CD1 LEU A 10 -2.022 -0.110 -8.907 1.00 0.00 C ATOM 164 CD2 LEU A 10 -1.917 -0.551 -6.448 1.00 0.00 C ATOM 0 H LEU A 10 -5.871 -0.714 -8.663 1.00 0.00 H new ATOM 0 HA LEU A 10 -4.818 -1.060 -6.077 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.361 0.727 -8.433 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.689 1.247 -6.901 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.173 -1.558 -7.847 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.168 -0.774 -9.045 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.664 -0.157 -9.786 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.669 0.912 -8.770 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.064 -1.208 -6.620 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.562 0.460 -6.250 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.485 -0.910 -5.590 1.00 0.00 H new ATOM 176 N GLU A 11 -6.565 1.718 -6.519 1.00 0.00 N ATOM 177 CA GLU A 11 -7.282 2.773 -5.812 1.00 0.00 C ATOM 178 C GLU A 11 -8.518 2.221 -5.109 1.00 0.00 C ATOM 179 O GLU A 11 -8.910 2.708 -4.049 1.00 0.00 O ATOM 180 CB GLU A 11 -7.688 3.881 -6.785 1.00 0.00 C ATOM 181 CG GLU A 11 -6.512 4.682 -7.320 1.00 0.00 C ATOM 182 CD GLU A 11 -6.859 6.138 -7.563 1.00 0.00 C ATOM 183 OE1 GLU A 11 -7.535 6.738 -6.701 1.00 0.00 O ATOM 184 OE2 GLU A 11 -6.456 6.677 -8.615 1.00 0.00 O ATOM 0 H GLU A 11 -6.623 1.778 -7.536 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.613 3.186 -5.057 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.226 3.438 -7.623 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.380 4.558 -6.284 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.685 4.623 -6.612 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.167 4.234 -8.252 1.00 0.00 H new ATOM 191 N GLY A 12 -9.129 1.203 -5.707 1.00 0.00 N ATOM 192 CA GLY A 12 -10.315 0.606 -5.123 1.00 0.00 C ATOM 193 C GLY A 12 -10.018 -0.151 -3.843 1.00 0.00 C ATOM 194 O GLY A 12 -10.776 -0.070 -2.876 1.00 0.00 O ATOM 0 H GLY A 12 -8.824 0.782 -6.584 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -11.047 1.387 -4.917 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -10.769 -0.073 -5.845 1.00 0.00 H new ATOM 198 N GLN A 13 -8.913 -0.890 -3.837 1.00 0.00 N ATOM 199 CA GLN A 13 -8.519 -1.666 -2.667 1.00 0.00 C ATOM 200 C GLN A 13 -7.924 -0.767 -1.588 1.00 0.00 C ATOM 201 O GLN A 13 -8.327 -0.824 -0.427 1.00 0.00 O ATOM 202 CB GLN A 13 -7.509 -2.744 -3.062 1.00 0.00 C ATOM 203 CG GLN A 13 -8.152 -4.039 -3.528 1.00 0.00 C ATOM 204 CD GLN A 13 -8.722 -4.851 -2.382 1.00 0.00 C ATOM 205 OE1 GLN A 13 -8.708 -4.416 -1.231 1.00 0.00 O ATOM 206 NE2 GLN A 13 -9.229 -6.039 -2.693 1.00 0.00 N ATOM 0 H GLN A 13 -8.275 -0.968 -4.629 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.412 -2.143 -2.263 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -6.871 -2.358 -3.857 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.863 -2.955 -2.209 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -8.947 -3.811 -4.238 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.412 -4.637 -4.060 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.220 -6.360 -3.661 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -9.628 -6.630 -1.964 1.00 0.00 H new ATOM 215 N LEU A 14 -6.961 0.061 -1.979 1.00 0.00 N ATOM 216 CA LEU A 14 -6.308 0.971 -1.045 1.00 0.00 C ATOM 217 C LEU A 14 -7.323 1.897 -0.380 1.00 0.00 C ATOM 218 O LEU A 14 -7.167 2.271 0.782 1.00 0.00 O ATOM 219 CB LEU A 14 -5.244 1.800 -1.770 1.00 0.00 C ATOM 220 CG LEU A 14 -3.983 2.092 -0.955 1.00 0.00 C ATOM 221 CD1 LEU A 14 -2.819 2.430 -1.874 1.00 0.00 C ATOM 222 CD2 LEU A 14 -4.234 3.227 0.028 1.00 0.00 C ATOM 0 H LEU A 14 -6.615 0.121 -2.937 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.830 0.372 -0.270 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.956 1.276 -2.681 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.689 2.747 -2.074 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.725 1.197 -0.389 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.931 2.635 -1.276 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.623 1.588 -2.538 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.068 3.310 -2.467 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.326 3.421 0.599 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.518 4.126 -0.519 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.038 2.948 0.709 1.00 0.00 H new ATOM 234 N ALA A 15 -8.359 2.267 -1.125 1.00 0.00 N ATOM 235 CA ALA A 15 -9.394 3.154 -0.608 1.00 0.00 C ATOM 236 C ALA A 15 -10.305 2.434 0.382 1.00 0.00 C ATOM 237 O ALA A 15 -10.520 2.908 1.497 1.00 0.00 O ATOM 238 CB ALA A 15 -10.212 3.730 -1.754 1.00 0.00 C ATOM 0 H ALA A 15 -8.504 1.966 -2.089 1.00 0.00 H new ATOM 0 HA ALA A 15 -8.901 3.968 -0.076 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.982 4.391 -1.355 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -9.559 4.294 -2.420 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -10.682 2.918 -2.309 1.00 0.00 H new ATOM 244 N THR A 16 -10.843 1.292 -0.034 1.00 0.00 N ATOM 245 CA THR A 16 -11.737 0.514 0.817 1.00 0.00 C ATOM 246 C THR A 16 -11.011 -0.003 2.056 1.00 0.00 C ATOM 247 O THR A 16 -11.512 0.115 3.174 1.00 0.00 O ATOM 248 CB THR A 16 -12.330 -0.658 0.034 1.00 0.00 C ATOM 249 OG1 THR A 16 -13.283 -1.354 0.818 1.00 0.00 O ATOM 250 CG2 THR A 16 -11.292 -1.660 -0.423 1.00 0.00 C ATOM 0 H THR A 16 -10.676 0.885 -0.954 1.00 0.00 H new ATOM 0 HA THR A 16 -12.543 1.172 1.143 1.00 0.00 H new ATOM 0 HB THR A 16 -12.792 -0.212 -0.846 1.00 0.00 H new ATOM 0 HG1 THR A 16 -13.652 -2.099 0.299 1.00 0.00 H new ATOM 0 HG21 THR A 16 -11.780 -2.465 -0.972 1.00 0.00 H new ATOM 0 HG22 THR A 16 -10.569 -1.165 -1.072 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.778 -2.073 0.445 1.00 0.00 H new ATOM 258 N LEU A 17 -9.832 -0.579 1.849 1.00 0.00 N ATOM 259 CA LEU A 17 -9.042 -1.119 2.950 1.00 0.00 C ATOM 260 C LEU A 17 -8.663 -0.025 3.944 1.00 0.00 C ATOM 261 O LEU A 17 -8.796 -0.201 5.154 1.00 0.00 O ATOM 262 CB LEU A 17 -7.779 -1.796 2.415 1.00 0.00 C ATOM 263 CG LEU A 17 -7.333 -3.038 3.189 1.00 0.00 C ATOM 264 CD1 LEU A 17 -8.272 -4.202 2.914 1.00 0.00 C ATOM 265 CD2 LEU A 17 -5.903 -3.406 2.826 1.00 0.00 C ATOM 0 H LEU A 17 -9.402 -0.684 0.930 1.00 0.00 H new ATOM 0 HA LEU A 17 -9.652 -1.858 3.469 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.948 -2.076 1.375 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.965 -1.071 2.422 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.369 -2.813 4.255 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.940 -5.077 3.472 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.282 -3.936 3.224 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.268 -4.429 1.848 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.602 -4.292 3.386 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.841 -3.613 1.758 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.240 -2.577 3.074 1.00 0.00 H new ATOM 277 N ARG A 18 -8.187 1.102 3.426 1.00 0.00 N ATOM 278 CA ARG A 18 -7.784 2.221 4.270 1.00 0.00 C ATOM 279 C ARG A 18 -8.981 2.823 5.002 1.00 0.00 C ATOM 280 O ARG A 18 -8.832 3.411 6.072 1.00 0.00 O ATOM 281 CB ARG A 18 -7.092 3.296 3.430 1.00 0.00 C ATOM 282 CG ARG A 18 -6.368 4.346 4.258 1.00 0.00 C ATOM 283 CD ARG A 18 -5.349 5.108 3.426 1.00 0.00 C ATOM 284 NE ARG A 18 -5.664 6.532 3.344 1.00 0.00 N ATOM 285 CZ ARG A 18 -5.189 7.344 2.402 1.00 0.00 C ATOM 286 NH1 ARG A 18 -4.376 6.879 1.462 1.00 0.00 N ATOM 287 NH2 ARG A 18 -5.527 8.626 2.402 1.00 0.00 N ATOM 0 H ARG A 18 -8.071 1.265 2.426 1.00 0.00 H new ATOM 0 HA ARG A 18 -7.085 1.842 5.015 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.377 2.817 2.761 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.835 3.789 2.803 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -7.093 5.044 4.676 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.867 3.866 5.098 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.358 4.981 3.861 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.313 4.686 2.422 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.285 6.928 4.050 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.111 5.894 1.458 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.016 7.507 0.743 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.150 8.989 3.123 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.164 9.249 1.681 1.00 0.00 H new ATOM 301 N GLN A 19 -10.166 2.678 4.418 1.00 0.00 N ATOM 302 CA GLN A 19 -11.383 3.215 5.018 1.00 0.00 C ATOM 303 C GLN A 19 -11.761 2.447 6.282 1.00 0.00 C ATOM 304 O GLN A 19 -11.847 3.023 7.367 1.00 0.00 O ATOM 305 CB GLN A 19 -12.537 3.166 4.015 1.00 0.00 C ATOM 306 CG GLN A 19 -13.422 4.401 4.045 1.00 0.00 C ATOM 307 CD GLN A 19 -14.023 4.720 2.690 1.00 0.00 C ATOM 308 OE1 GLN A 19 -15.242 4.693 2.516 1.00 0.00 O ATOM 309 NE2 GLN A 19 -13.168 5.026 1.721 1.00 0.00 N ATOM 0 H GLN A 19 -10.310 2.194 3.532 1.00 0.00 H new ATOM 0 HA GLN A 19 -11.190 4.252 5.292 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -12.130 3.045 3.011 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.148 2.287 4.219 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -14.224 4.251 4.768 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -12.837 5.254 4.389 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.166 5.036 1.910 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -13.514 5.251 0.788 1.00 0.00 H new ATOM 318 N ARG A 20 -11.993 1.147 6.134 1.00 0.00 N ATOM 319 CA ARG A 20 -12.369 0.302 7.263 1.00 0.00 C ATOM 320 C ARG A 20 -11.172 0.023 8.168 1.00 0.00 C ATOM 321 O ARG A 20 -11.318 -0.100 9.384 1.00 0.00 O ATOM 322 CB ARG A 20 -12.966 -1.016 6.762 1.00 0.00 C ATOM 323 CG ARG A 20 -14.455 -1.152 7.034 1.00 0.00 C ATOM 324 CD ARG A 20 -14.953 -2.552 6.716 1.00 0.00 C ATOM 325 NE ARG A 20 -14.226 -3.576 7.464 1.00 0.00 N ATOM 326 CZ ARG A 20 -14.199 -4.863 7.125 1.00 0.00 C ATOM 327 NH1 ARG A 20 -14.856 -5.288 6.053 1.00 0.00 N ATOM 328 NH2 ARG A 20 -13.512 -5.727 7.860 1.00 0.00 N ATOM 0 H ARG A 20 -11.927 0.655 5.243 1.00 0.00 H new ATOM 0 HA ARG A 20 -13.119 0.836 7.847 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -12.792 -1.099 5.689 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.441 -1.846 7.235 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -14.658 -0.921 8.080 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -15.003 -0.425 6.435 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -16.016 -2.620 6.948 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -14.847 -2.740 5.648 1.00 0.00 H new ATOM 0 HE ARG A 20 -13.709 -3.287 8.295 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -15.385 -4.627 5.484 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -14.832 -6.275 5.798 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -13.005 -5.405 8.684 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.491 -6.713 7.601 1.00 0.00 H new ATOM 342 N CYS A 21 -9.991 -0.081 7.569 1.00 0.00 N ATOM 343 CA CYS A 21 -8.773 -0.352 8.324 1.00 0.00 C ATOM 344 C CYS A 21 -8.073 0.940 8.743 1.00 0.00 C ATOM 345 O CYS A 21 -6.915 0.919 9.159 1.00 0.00 O ATOM 346 CB CYS A 21 -7.818 -1.215 7.498 1.00 0.00 C ATOM 347 SG CYS A 21 -6.761 -2.299 8.486 1.00 0.00 S ATOM 0 H CYS A 21 -9.851 0.018 6.564 1.00 0.00 H new ATOM 0 HA CYS A 21 -9.058 -0.891 9.228 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -8.401 -1.825 6.808 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -7.187 -0.563 6.893 1.00 0.00 H new ATOM 0 HG CYS A 21 -5.991 -2.990 7.699 1.00 0.00 H new ATOM 353 N ALA A 22 -8.776 2.065 8.632 1.00 0.00 N ATOM 354 CA ALA A 22 -8.207 3.354 9.003 1.00 0.00 C ATOM 355 C ALA A 22 -7.943 3.428 10.506 1.00 0.00 C ATOM 356 O ALA A 22 -6.800 3.585 10.935 1.00 0.00 O ATOM 357 CB ALA A 22 -9.129 4.484 8.567 1.00 0.00 C ATOM 0 H ALA A 22 -9.736 2.108 8.290 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.252 3.463 8.489 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.691 5.441 8.851 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -9.259 4.451 7.485 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.098 4.370 9.052 1.00 0.00 H new ATOM 363 N PRO A 23 -9.001 3.317 11.330 1.00 0.00 N ATOM 364 CA PRO A 23 -8.874 3.374 12.788 1.00 0.00 C ATOM 365 C PRO A 23 -8.373 2.062 13.383 1.00 0.00 C ATOM 366 O PRO A 23 -9.049 1.443 14.205 1.00 0.00 O ATOM 367 CB PRO A 23 -10.304 3.656 13.242 1.00 0.00 C ATOM 368 CG PRO A 23 -11.158 3.011 12.206 1.00 0.00 C ATOM 369 CD PRO A 23 -10.404 3.131 10.906 1.00 0.00 C ATOM 0 HA PRO A 23 -8.148 4.120 13.110 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -10.496 3.239 14.231 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.497 4.727 13.305 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.346 1.966 12.452 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -12.129 3.503 12.140 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -10.521 2.239 10.291 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -10.759 3.975 10.314 1.00 0.00 H new ATOM 377 N VAL A 24 -7.182 1.642 12.966 1.00 0.00 N ATOM 378 CA VAL A 24 -6.593 0.403 13.463 1.00 0.00 C ATOM 379 C VAL A 24 -5.228 0.650 14.102 1.00 0.00 C ATOM 380 O VAL A 24 -4.436 -0.276 14.267 1.00 0.00 O ATOM 381 CB VAL A 24 -6.439 -0.638 12.337 1.00 0.00 C ATOM 382 CG1 VAL A 24 -7.796 -1.003 11.757 1.00 0.00 C ATOM 383 CG2 VAL A 24 -5.509 -0.119 11.250 1.00 0.00 C ATOM 0 H VAL A 24 -6.607 2.140 12.287 1.00 0.00 H new ATOM 0 HA VAL A 24 -7.276 0.015 14.219 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.996 -1.539 12.761 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -7.666 -1.739 10.964 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -8.426 -1.422 12.541 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -8.270 -0.110 11.350 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.413 -0.869 10.464 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.919 0.799 10.828 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.528 0.085 11.678 1.00 0.00 H new ATOM 393 N SER A 25 -4.959 1.903 14.460 1.00 0.00 N ATOM 394 CA SER A 25 -3.688 2.264 15.079 1.00 0.00 C ATOM 395 C SER A 25 -3.527 1.588 16.439 1.00 0.00 C ATOM 396 O SER A 25 -2.409 1.361 16.900 1.00 0.00 O ATOM 397 CB SER A 25 -3.589 3.782 15.238 1.00 0.00 C ATOM 398 OG SER A 25 -3.386 4.414 13.987 1.00 0.00 O ATOM 0 H SER A 25 -5.603 2.683 14.332 1.00 0.00 H new ATOM 0 HA SER A 25 -2.886 1.918 14.427 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.501 4.163 15.697 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.767 4.027 15.910 1.00 0.00 H new ATOM 0 HG SER A 25 -3.328 5.384 14.116 1.00 0.00 H new ATOM 404 N GLN A 26 -4.649 1.273 17.078 1.00 0.00 N ATOM 405 CA GLN A 26 -4.628 0.628 18.386 1.00 0.00 C ATOM 406 C GLN A 26 -4.331 -0.863 18.260 1.00 0.00 C ATOM 407 O GLN A 26 -3.664 -1.447 19.114 1.00 0.00 O ATOM 408 CB GLN A 26 -5.965 0.835 19.101 1.00 0.00 C ATOM 409 CG GLN A 26 -6.154 2.242 19.643 1.00 0.00 C ATOM 410 CD GLN A 26 -5.141 2.596 20.714 1.00 0.00 C ATOM 411 OE1 GLN A 26 -4.607 1.719 21.393 1.00 0.00 O ATOM 412 NE2 GLN A 26 -4.871 3.887 20.871 1.00 0.00 N ATOM 0 H GLN A 26 -5.584 1.454 16.712 1.00 0.00 H new ATOM 0 HA GLN A 26 -3.833 1.087 18.973 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -6.776 0.609 18.409 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.041 0.124 19.924 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -6.075 2.956 18.824 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.159 2.337 20.053 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -5.337 4.580 20.286 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -4.197 4.185 21.577 1.00 0.00 H new ATOM 421 N PHE A 27 -4.833 -1.475 17.192 1.00 0.00 N ATOM 422 CA PHE A 27 -4.623 -2.900 16.959 1.00 0.00 C ATOM 423 C PHE A 27 -3.811 -3.136 15.687 1.00 0.00 C ATOM 424 O PHE A 27 -3.921 -4.187 15.056 1.00 0.00 O ATOM 425 CB PHE A 27 -5.968 -3.625 16.865 1.00 0.00 C ATOM 426 CG PHE A 27 -6.106 -4.761 17.838 1.00 0.00 C ATOM 427 CD1 PHE A 27 -5.085 -5.685 17.994 1.00 0.00 C ATOM 428 CD2 PHE A 27 -7.257 -4.905 18.596 1.00 0.00 C ATOM 429 CE1 PHE A 27 -5.210 -6.731 18.888 1.00 0.00 C ATOM 430 CE2 PHE A 27 -7.387 -5.949 19.492 1.00 0.00 C ATOM 431 CZ PHE A 27 -6.362 -6.864 19.638 1.00 0.00 C ATOM 0 H PHE A 27 -5.387 -1.007 16.475 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.060 -3.300 17.802 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.771 -2.909 17.039 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.096 -4.007 15.852 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.182 -5.586 17.410 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.062 -4.193 18.485 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.407 -7.444 19.000 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.289 -6.050 20.078 1.00 0.00 H new ATOM 0 HZ PHE A 27 -6.461 -7.681 20.337 1.00 0.00 H new ATOM 441 N ALA A 28 -2.998 -2.152 15.315 1.00 0.00 N ATOM 442 CA ALA A 28 -2.171 -2.257 14.118 1.00 0.00 C ATOM 443 C ALA A 28 -0.886 -3.028 14.401 1.00 0.00 C ATOM 444 O ALA A 28 -0.117 -2.667 15.292 1.00 0.00 O ATOM 445 CB ALA A 28 -1.849 -0.872 13.578 1.00 0.00 C ATOM 0 H ALA A 28 -2.894 -1.274 15.824 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.734 -2.808 13.365 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.231 -0.964 12.685 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.775 -0.355 13.327 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.309 -0.303 14.335 1.00 0.00 H new ATOM 451 N THR A 29 -0.659 -4.091 13.636 1.00 0.00 N ATOM 452 CA THR A 29 0.534 -4.913 13.804 1.00 0.00 C ATOM 453 C THR A 29 0.965 -5.527 12.475 1.00 0.00 C ATOM 454 O THR A 29 0.138 -6.029 11.715 1.00 0.00 O ATOM 455 CB THR A 29 0.278 -6.018 14.829 1.00 0.00 C ATOM 456 OG1 THR A 29 -0.451 -5.516 15.935 1.00 0.00 O ATOM 457 CG2 THR A 29 1.548 -6.645 15.362 1.00 0.00 C ATOM 0 H THR A 29 -1.285 -4.403 12.894 1.00 0.00 H new ATOM 0 HA THR A 29 1.338 -4.271 14.165 1.00 0.00 H new ATOM 0 HB THR A 29 -0.289 -6.782 14.296 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.606 -6.238 16.579 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.295 -7.421 16.084 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.110 -7.085 14.538 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.155 -5.881 15.848 1.00 0.00 H new ATOM 465 N LEU A 30 2.265 -5.483 12.203 1.00 0.00 N ATOM 466 CA LEU A 30 2.806 -6.037 10.966 1.00 0.00 C ATOM 467 C LEU A 30 3.505 -7.367 11.226 1.00 0.00 C ATOM 468 O LEU A 30 4.057 -7.590 12.304 1.00 0.00 O ATOM 469 CB LEU A 30 3.784 -5.049 10.324 1.00 0.00 C ATOM 470 CG LEU A 30 3.171 -4.124 9.272 1.00 0.00 C ATOM 471 CD1 LEU A 30 4.150 -3.022 8.895 1.00 0.00 C ATOM 472 CD2 LEU A 30 2.760 -4.919 8.041 1.00 0.00 C ATOM 0 H LEU A 30 2.963 -5.070 12.821 1.00 0.00 H new ATOM 0 HA LEU A 30 1.976 -6.211 10.282 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.227 -4.437 11.110 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.595 -5.612 9.863 1.00 0.00 H new ATOM 0 HG LEU A 30 2.280 -3.660 9.696 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.697 -2.373 8.145 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.397 -2.436 9.780 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.059 -3.466 8.489 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.325 -4.246 7.302 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.636 -5.409 7.615 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.024 -5.672 8.323 1.00 0.00 H new ATOM 484 N SER A 31 3.478 -8.248 10.232 1.00 0.00 N ATOM 485 CA SER A 31 4.110 -9.557 10.353 1.00 0.00 C ATOM 486 C SER A 31 5.616 -9.418 10.549 1.00 0.00 C ATOM 487 O SER A 31 6.159 -8.315 10.500 1.00 0.00 O ATOM 488 CB SER A 31 3.821 -10.403 9.111 1.00 0.00 C ATOM 489 OG SER A 31 4.371 -11.703 9.240 1.00 0.00 O ATOM 0 H SER A 31 3.025 -8.080 9.334 1.00 0.00 H new ATOM 0 HA SER A 31 3.693 -10.055 11.228 1.00 0.00 H new ATOM 0 HB2 SER A 31 2.744 -10.474 8.958 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.237 -9.915 8.230 1.00 0.00 H new ATOM 0 HG SER A 31 4.171 -12.224 8.434 1.00 0.00 H new ATOM 495 N ALA A 32 6.285 -10.545 10.770 1.00 0.00 N ATOM 496 CA ALA A 32 7.730 -10.549 10.972 1.00 0.00 C ATOM 497 C ALA A 32 8.483 -10.590 9.642 1.00 0.00 C ATOM 498 O ALA A 32 9.713 -10.554 9.618 1.00 0.00 O ATOM 499 CB ALA A 32 8.134 -11.729 11.843 1.00 0.00 C ATOM 0 H ALA A 32 5.850 -11.467 10.814 1.00 0.00 H new ATOM 0 HA ALA A 32 7.999 -9.622 11.477 1.00 0.00 H new ATOM 0 HB1 ALA A 32 9.214 -11.722 11.987 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.638 -11.653 12.811 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.839 -12.658 11.356 1.00 0.00 H new ATOM 505 N ARG A 33 7.742 -10.664 8.539 1.00 0.00 N ATOM 506 CA ARG A 33 8.350 -10.709 7.214 1.00 0.00 C ATOM 507 C ARG A 33 8.404 -9.318 6.586 1.00 0.00 C ATOM 508 O ARG A 33 8.506 -9.182 5.366 1.00 0.00 O ATOM 509 CB ARG A 33 7.570 -11.662 6.306 1.00 0.00 C ATOM 510 CG ARG A 33 8.456 -12.600 5.502 1.00 0.00 C ATOM 511 CD ARG A 33 9.460 -11.831 4.659 1.00 0.00 C ATOM 512 NE ARG A 33 10.556 -12.683 4.202 1.00 0.00 N ATOM 513 CZ ARG A 33 10.454 -13.542 3.190 1.00 0.00 C ATOM 514 NH1 ARG A 33 9.310 -13.665 2.528 1.00 0.00 N ATOM 515 NH2 ARG A 33 11.499 -14.279 2.839 1.00 0.00 N ATOM 0 H ARG A 33 6.722 -10.694 8.537 1.00 0.00 H new ATOM 0 HA ARG A 33 9.371 -11.074 7.324 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.888 -12.254 6.916 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.958 -11.077 5.620 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.985 -13.271 6.178 1.00 0.00 H new ATOM 0 HG3 ARG A 33 7.837 -13.222 4.855 1.00 0.00 H new ATOM 0 HD2 ARG A 33 8.953 -11.398 3.797 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.863 -11.002 5.241 1.00 0.00 H new ATOM 0 HE ARG A 33 11.451 -12.616 4.687 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.504 -13.100 2.794 1.00 0.00 H new ATOM 0 HH12 ARG A 33 9.237 -14.325 1.753 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.380 -14.188 3.344 1.00 0.00 H new ATOM 0 HH22 ARG A 33 11.421 -14.937 2.064 1.00 0.00 H new ATOM 529 N PHE A 34 8.335 -8.287 7.423 1.00 0.00 N ATOM 530 CA PHE A 34 8.376 -6.914 6.950 1.00 0.00 C ATOM 531 C PHE A 34 9.698 -6.616 6.250 1.00 0.00 C ATOM 532 O PHE A 34 10.772 -6.839 6.808 1.00 0.00 O ATOM 533 CB PHE A 34 8.177 -5.956 8.123 1.00 0.00 C ATOM 534 CG PHE A 34 9.271 -6.027 9.151 1.00 0.00 C ATOM 535 CD1 PHE A 34 10.406 -5.243 9.028 1.00 0.00 C ATOM 536 CD2 PHE A 34 9.163 -6.879 10.239 1.00 0.00 C ATOM 537 CE1 PHE A 34 11.414 -5.306 9.972 1.00 0.00 C ATOM 538 CE2 PHE A 34 10.167 -6.947 11.185 1.00 0.00 C ATOM 539 CZ PHE A 34 11.294 -6.159 11.052 1.00 0.00 C ATOM 0 H PHE A 34 8.250 -8.381 8.435 1.00 0.00 H new ATOM 0 HA PHE A 34 7.571 -6.775 6.229 1.00 0.00 H new ATOM 0 HB2 PHE A 34 8.114 -4.937 7.742 1.00 0.00 H new ATOM 0 HB3 PHE A 34 7.224 -6.176 8.603 1.00 0.00 H new ATOM 0 HD1 PHE A 34 10.505 -4.575 8.185 1.00 0.00 H new ATOM 0 HD2 PHE A 34 8.284 -7.497 10.348 1.00 0.00 H new ATOM 0 HE1 PHE A 34 12.294 -4.689 9.865 1.00 0.00 H new ATOM 0 HE2 PHE A 34 10.071 -7.615 12.028 1.00 0.00 H new ATOM 0 HZ PHE A 34 12.080 -6.210 11.791 1.00 0.00 H new ATOM 549 N ASP A 35 9.612 -6.110 5.024 1.00 0.00 N ATOM 550 CA ASP A 35 10.800 -5.780 4.247 1.00 0.00 C ATOM 551 C ASP A 35 11.019 -4.271 4.204 1.00 0.00 C ATOM 552 O ASP A 35 10.102 -3.510 3.896 1.00 0.00 O ATOM 553 CB ASP A 35 10.676 -6.334 2.826 1.00 0.00 C ATOM 554 CG ASP A 35 11.900 -7.123 2.403 1.00 0.00 C ATOM 555 OD1 ASP A 35 13.024 -6.599 2.551 1.00 0.00 O ATOM 556 OD2 ASP A 35 11.734 -8.265 1.926 1.00 0.00 O ATOM 0 H ASP A 35 8.731 -5.920 4.547 1.00 0.00 H new ATOM 0 HA ASP A 35 11.662 -6.239 4.732 1.00 0.00 H new ATOM 0 HB2 ASP A 35 9.796 -6.974 2.764 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.520 -5.510 2.130 1.00 0.00 H new ATOM 561 N ARG A 36 12.239 -3.846 4.514 1.00 0.00 N ATOM 562 CA ARG A 36 12.577 -2.427 4.511 1.00 0.00 C ATOM 563 C ARG A 36 12.535 -1.857 3.096 1.00 0.00 C ATOM 564 O ARG A 36 12.320 -0.660 2.905 1.00 0.00 O ATOM 565 CB ARG A 36 13.964 -2.211 5.120 1.00 0.00 C ATOM 566 CG ARG A 36 13.939 -1.976 6.622 1.00 0.00 C ATOM 567 CD ARG A 36 15.089 -2.687 7.318 1.00 0.00 C ATOM 568 NE ARG A 36 16.234 -1.804 7.525 1.00 0.00 N ATOM 569 CZ ARG A 36 17.444 -2.229 7.882 1.00 0.00 C ATOM 570 NH1 ARG A 36 17.671 -3.523 8.071 1.00 0.00 N ATOM 571 NH2 ARG A 36 18.430 -1.359 8.049 1.00 0.00 N ATOM 0 H ARG A 36 13.010 -4.463 4.770 1.00 0.00 H new ATOM 0 HA ARG A 36 11.836 -1.903 5.114 1.00 0.00 H new ATOM 0 HB2 ARG A 36 14.585 -3.081 4.907 1.00 0.00 H new ATOM 0 HB3 ARG A 36 14.436 -1.357 4.635 1.00 0.00 H new ATOM 0 HG2 ARG A 36 13.995 -0.906 6.825 1.00 0.00 H new ATOM 0 HG3 ARG A 36 12.992 -2.328 7.030 1.00 0.00 H new ATOM 0 HD2 ARG A 36 14.749 -3.071 8.280 1.00 0.00 H new ATOM 0 HD3 ARG A 36 15.397 -3.547 6.723 1.00 0.00 H new ATOM 0 HE ARG A 36 16.098 -0.802 7.388 1.00 0.00 H new ATOM 0 HH11 ARG A 36 16.916 -4.197 7.943 1.00 0.00 H new ATOM 0 HH12 ARG A 36 18.600 -3.843 8.344 1.00 0.00 H new ATOM 0 HH21 ARG A 36 18.262 -0.363 7.904 1.00 0.00 H new ATOM 0 HH22 ARG A 36 19.357 -1.685 8.323 1.00 0.00 H new ATOM 585 N HIS A 37 12.744 -2.719 2.105 1.00 0.00 N ATOM 586 CA HIS A 37 12.732 -2.297 0.709 1.00 0.00 C ATOM 587 C HIS A 37 11.304 -2.137 0.197 1.00 0.00 C ATOM 588 O HIS A 37 11.013 -1.231 -0.585 1.00 0.00 O ATOM 589 CB HIS A 37 13.488 -3.307 -0.157 1.00 0.00 C ATOM 590 CG HIS A 37 14.424 -2.672 -1.137 1.00 0.00 C ATOM 591 ND1 HIS A 37 14.764 -3.254 -2.340 1.00 0.00 N ATOM 592 CD2 HIS A 37 15.093 -1.495 -1.088 1.00 0.00 C ATOM 593 CE1 HIS A 37 15.602 -2.464 -2.988 1.00 0.00 C ATOM 594 NE2 HIS A 37 15.818 -1.391 -2.250 1.00 0.00 N ATOM 0 H HIS A 37 12.924 -3.713 2.243 1.00 0.00 H new ATOM 0 HA HIS A 37 13.229 -1.329 0.645 1.00 0.00 H new ATOM 0 HB2 HIS A 37 14.053 -3.978 0.491 1.00 0.00 H new ATOM 0 HB3 HIS A 37 12.768 -3.919 -0.699 1.00 0.00 H new ATOM 0 HD2 HIS A 37 15.062 -0.773 -0.285 1.00 0.00 H new ATOM 0 HE1 HIS A 37 16.036 -2.662 -3.957 1.00 0.00 H new ATOM 0 HE2 HIS A 37 16.425 -0.611 -2.502 1.00 0.00 H new ATOM 603 N LEU A 38 10.416 -3.021 0.640 1.00 0.00 N ATOM 604 CA LEU A 38 9.019 -2.976 0.222 1.00 0.00 C ATOM 605 C LEU A 38 8.220 -2.008 1.088 1.00 0.00 C ATOM 606 O LEU A 38 7.259 -1.394 0.625 1.00 0.00 O ATOM 607 CB LEU A 38 8.399 -4.373 0.292 1.00 0.00 C ATOM 608 CG LEU A 38 9.077 -5.427 -0.584 1.00 0.00 C ATOM 609 CD1 LEU A 38 8.538 -6.813 -0.266 1.00 0.00 C ATOM 610 CD2 LEU A 38 8.879 -5.102 -2.057 1.00 0.00 C ATOM 0 H LEU A 38 10.638 -3.777 1.288 1.00 0.00 H new ATOM 0 HA LEU A 38 8.987 -2.622 -0.808 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.423 -4.713 1.327 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.350 -4.303 0.004 1.00 0.00 H new ATOM 0 HG LEU A 38 10.146 -5.417 -0.370 1.00 0.00 H new ATOM 0 HD11 LEU A 38 9.032 -7.550 -0.899 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.731 -7.047 0.781 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.464 -6.837 -0.452 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.368 -5.862 -2.666 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.813 -5.084 -2.286 1.00 0.00 H new ATOM 0 HD23 LEU A 38 9.314 -4.127 -2.276 1.00 0.00 H new ATOM 622 N PHE A 39 8.622 -1.877 2.348 1.00 0.00 N ATOM 623 CA PHE A 39 7.941 -0.984 3.279 1.00 0.00 C ATOM 624 C PHE A 39 8.854 0.164 3.698 1.00 0.00 C ATOM 625 O PHE A 39 10.076 0.015 3.740 1.00 0.00 O ATOM 626 CB PHE A 39 7.477 -1.758 4.513 1.00 0.00 C ATOM 627 CG PHE A 39 6.595 -2.930 4.190 1.00 0.00 C ATOM 628 CD1 PHE A 39 5.471 -2.770 3.396 1.00 0.00 C ATOM 629 CD2 PHE A 39 6.891 -4.192 4.681 1.00 0.00 C ATOM 630 CE1 PHE A 39 4.658 -3.847 3.097 1.00 0.00 C ATOM 631 CE2 PHE A 39 6.081 -5.272 4.386 1.00 0.00 C ATOM 632 CZ PHE A 39 4.963 -5.099 3.593 1.00 0.00 C ATOM 0 H PHE A 39 9.416 -2.378 2.748 1.00 0.00 H new ATOM 0 HA PHE A 39 7.071 -0.566 2.772 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.351 -2.111 5.060 1.00 0.00 H new ATOM 0 HB3 PHE A 39 6.939 -1.080 5.176 1.00 0.00 H new ATOM 0 HD1 PHE A 39 5.227 -1.793 3.006 1.00 0.00 H new ATOM 0 HD2 PHE A 39 7.764 -4.333 5.301 1.00 0.00 H new ATOM 0 HE1 PHE A 39 3.785 -3.709 2.476 1.00 0.00 H new ATOM 0 HE2 PHE A 39 6.322 -6.250 4.775 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.329 -5.942 3.361 1.00 0.00 H new ATOM 642 N GLN A 40 8.254 1.308 4.008 1.00 0.00 N ATOM 643 CA GLN A 40 9.013 2.481 4.425 1.00 0.00 C ATOM 644 C GLN A 40 9.529 2.315 5.851 1.00 0.00 C ATOM 645 O GLN A 40 9.126 1.397 6.565 1.00 0.00 O ATOM 646 CB GLN A 40 8.145 3.737 4.325 1.00 0.00 C ATOM 647 CG GLN A 40 8.877 4.938 3.748 1.00 0.00 C ATOM 648 CD GLN A 40 8.109 6.232 3.932 1.00 0.00 C ATOM 649 OE1 GLN A 40 8.243 6.908 4.952 1.00 0.00 O ATOM 650 NE2 GLN A 40 7.297 6.584 2.942 1.00 0.00 N ATOM 0 H GLN A 40 7.244 1.448 3.978 1.00 0.00 H new ATOM 0 HA GLN A 40 9.869 2.587 3.759 1.00 0.00 H new ATOM 0 HB2 GLN A 40 7.276 3.519 3.705 1.00 0.00 H new ATOM 0 HB3 GLN A 40 7.773 3.991 5.317 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.853 5.028 4.225 1.00 0.00 H new ATOM 0 HG3 GLN A 40 9.056 4.774 2.685 1.00 0.00 H new ATOM 0 HE21 GLN A 40 7.216 5.994 2.114 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.754 7.445 3.009 1.00 0.00 H new ATOM 659 N THR A 41 10.423 3.209 6.259 1.00 0.00 N ATOM 660 CA THR A 41 10.995 3.163 7.600 1.00 0.00 C ATOM 661 C THR A 41 9.906 3.280 8.661 1.00 0.00 C ATOM 662 O THR A 41 9.957 2.613 9.694 1.00 0.00 O ATOM 663 CB THR A 41 12.020 4.284 7.778 1.00 0.00 C ATOM 664 OG1 THR A 41 11.373 5.538 7.902 1.00 0.00 O ATOM 665 CG2 THR A 41 13.002 4.385 6.632 1.00 0.00 C ATOM 0 H THR A 41 10.768 3.975 5.680 1.00 0.00 H new ATOM 0 HA THR A 41 11.493 2.201 7.723 1.00 0.00 H new ATOM 0 HB THR A 41 12.570 4.032 8.684 1.00 0.00 H new ATOM 0 HG1 THR A 41 12.044 6.243 8.017 1.00 0.00 H new ATOM 0 HG21 THR A 41 13.701 5.200 6.822 1.00 0.00 H new ATOM 0 HG22 THR A 41 13.553 3.449 6.541 1.00 0.00 H new ATOM 0 HG23 THR A 41 12.461 4.579 5.706 1.00 0.00 H new ATOM 673 N ARG A 42 8.922 4.134 8.400 1.00 0.00 N ATOM 674 CA ARG A 42 7.820 4.340 9.333 1.00 0.00 C ATOM 675 C ARG A 42 6.843 3.166 9.299 1.00 0.00 C ATOM 676 O ARG A 42 6.084 2.954 10.245 1.00 0.00 O ATOM 677 CB ARG A 42 7.085 5.641 9.006 1.00 0.00 C ATOM 678 CG ARG A 42 7.497 6.810 9.886 1.00 0.00 C ATOM 679 CD ARG A 42 7.051 6.606 11.326 1.00 0.00 C ATOM 680 NE ARG A 42 7.696 7.549 12.237 1.00 0.00 N ATOM 681 CZ ARG A 42 7.766 7.376 13.554 1.00 0.00 C ATOM 682 NH1 ARG A 42 7.235 6.298 14.119 1.00 0.00 N ATOM 683 NH2 ARG A 42 8.370 8.283 14.311 1.00 0.00 N ATOM 0 H ARG A 42 8.865 4.695 7.550 1.00 0.00 H new ATOM 0 HA ARG A 42 8.238 4.408 10.337 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.268 5.900 7.963 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.012 5.479 9.110 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.580 6.928 9.852 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.063 7.731 9.496 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.969 6.722 11.390 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.281 5.587 11.636 1.00 0.00 H new ATOM 0 HE ARG A 42 8.117 8.389 11.840 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.770 5.597 13.543 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.292 6.171 15.129 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.781 9.113 13.883 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.424 8.150 15.321 1.00 0.00 H new ATOM 697 N ALA A 43 6.867 2.406 8.208 1.00 0.00 N ATOM 698 CA ALA A 43 5.983 1.257 8.060 1.00 0.00 C ATOM 699 C ALA A 43 6.332 0.164 9.064 1.00 0.00 C ATOM 700 O ALA A 43 7.054 -0.780 8.744 1.00 0.00 O ATOM 701 CB ALA A 43 6.056 0.715 6.640 1.00 0.00 C ATOM 0 H ALA A 43 7.488 2.566 7.415 1.00 0.00 H new ATOM 0 HA ALA A 43 4.963 1.586 8.260 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.391 -0.143 6.543 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.751 1.491 5.938 1.00 0.00 H new ATOM 0 HB3 ALA A 43 7.078 0.408 6.420 1.00 0.00 H new ATOM 707 N THR A 44 5.815 0.300 10.281 1.00 0.00 N ATOM 708 CA THR A 44 6.072 -0.674 11.335 1.00 0.00 C ATOM 709 C THR A 44 4.805 -1.448 11.686 1.00 0.00 C ATOM 710 O THR A 44 4.870 -2.585 12.150 1.00 0.00 O ATOM 711 CB THR A 44 6.619 0.024 12.580 1.00 0.00 C ATOM 712 OG1 THR A 44 5.703 0.995 13.053 1.00 0.00 O ATOM 713 CG2 THR A 44 7.943 0.718 12.344 1.00 0.00 C ATOM 0 H THR A 44 5.215 1.076 10.561 1.00 0.00 H new ATOM 0 HA THR A 44 6.815 -1.381 10.967 1.00 0.00 H new ATOM 0 HB THR A 44 6.769 -0.768 13.313 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.070 1.430 13.851 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.275 1.193 13.267 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.686 -0.014 12.025 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.824 1.475 11.569 1.00 0.00 H new ATOM 721 N THR A 45 3.652 -0.824 11.462 1.00 0.00 N ATOM 722 CA THR A 45 2.372 -1.458 11.757 1.00 0.00 C ATOM 723 C THR A 45 1.395 -1.277 10.600 1.00 0.00 C ATOM 724 O THR A 45 1.726 -0.670 9.582 1.00 0.00 O ATOM 725 CB THR A 45 1.776 -0.878 13.041 1.00 0.00 C ATOM 726 OG1 THR A 45 1.316 0.445 12.828 1.00 0.00 O ATOM 727 CG2 THR A 45 2.756 -0.845 14.194 1.00 0.00 C ATOM 0 H THR A 45 3.578 0.118 11.078 1.00 0.00 H new ATOM 0 HA THR A 45 2.547 -2.525 11.896 1.00 0.00 H new ATOM 0 HB THR A 45 0.954 -1.543 13.304 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.085 0.854 13.688 1.00 0.00 H new ATOM 0 HG21 THR A 45 2.269 -0.423 15.073 1.00 0.00 H new ATOM 0 HG22 THR A 45 3.091 -1.858 14.416 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.615 -0.230 13.924 1.00 0.00 H new ATOM 735 N LEU A 46 0.188 -1.812 10.763 1.00 0.00 N ATOM 736 CA LEU A 46 -0.839 -1.713 9.732 1.00 0.00 C ATOM 737 C LEU A 46 -1.161 -0.256 9.418 1.00 0.00 C ATOM 738 O LEU A 46 -1.181 0.149 8.255 1.00 0.00 O ATOM 739 CB LEU A 46 -2.108 -2.443 10.177 1.00 0.00 C ATOM 740 CG LEU A 46 -1.964 -3.958 10.329 1.00 0.00 C ATOM 741 CD1 LEU A 46 -3.106 -4.522 11.160 1.00 0.00 C ATOM 742 CD2 LEU A 46 -1.915 -4.626 8.963 1.00 0.00 C ATOM 0 H LEU A 46 -0.102 -2.318 11.600 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.454 -2.182 8.827 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.433 -2.027 11.131 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.898 -2.239 9.455 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.028 -4.166 10.848 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.987 -5.601 11.257 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.096 -4.065 12.150 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.055 -4.305 10.669 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.812 -5.704 9.089 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.835 -4.410 8.419 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.063 -4.243 8.401 1.00 0.00 H new ATOM 754 N GLN A 47 -1.415 0.529 10.460 1.00 0.00 N ATOM 755 CA GLN A 47 -1.737 1.942 10.294 1.00 0.00 C ATOM 756 C GLN A 47 -0.624 2.670 9.547 1.00 0.00 C ATOM 757 O GLN A 47 -0.877 3.623 8.811 1.00 0.00 O ATOM 758 CB GLN A 47 -1.969 2.597 11.657 1.00 0.00 C ATOM 759 CG GLN A 47 -0.815 2.408 12.629 1.00 0.00 C ATOM 760 CD GLN A 47 -0.536 3.650 13.452 1.00 0.00 C ATOM 761 OE1 GLN A 47 -0.597 3.621 14.681 1.00 0.00 O ATOM 762 NE2 GLN A 47 -0.227 4.750 12.776 1.00 0.00 N ATOM 0 H GLN A 47 -1.404 0.210 11.429 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.651 2.014 9.705 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.141 3.664 11.513 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.876 2.185 12.099 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.040 1.577 13.297 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.082 2.136 12.073 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.188 4.728 11.757 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.029 5.617 13.276 1.00 0.00 H new ATOM 771 N ALA A 48 0.609 2.212 9.741 1.00 0.00 N ATOM 772 CA ALA A 48 1.760 2.818 9.084 1.00 0.00 C ATOM 773 C ALA A 48 1.821 2.420 7.613 1.00 0.00 C ATOM 774 O ALA A 48 2.144 3.238 6.752 1.00 0.00 O ATOM 775 CB ALA A 48 3.044 2.417 9.794 1.00 0.00 C ATOM 0 H ALA A 48 0.836 1.424 10.347 1.00 0.00 H new ATOM 0 HA ALA A 48 1.651 3.901 9.138 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.896 2.877 9.293 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.007 2.754 10.830 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.150 1.332 9.769 1.00 0.00 H new ATOM 781 N CYS A 49 1.506 1.160 7.334 1.00 0.00 N ATOM 782 CA CYS A 49 1.522 0.654 5.967 1.00 0.00 C ATOM 783 C CYS A 49 0.489 1.377 5.109 1.00 0.00 C ATOM 784 O CYS A 49 0.779 1.791 3.987 1.00 0.00 O ATOM 785 CB CYS A 49 1.250 -0.852 5.955 1.00 0.00 C ATOM 786 SG CYS A 49 2.285 -1.780 4.798 1.00 0.00 S ATOM 0 H CYS A 49 1.237 0.471 8.036 1.00 0.00 H new ATOM 0 HA CYS A 49 2.511 0.840 5.548 1.00 0.00 H new ATOM 0 HB2 CYS A 49 1.403 -1.246 6.960 1.00 0.00 H new ATOM 0 HB3 CYS A 49 0.203 -1.019 5.704 1.00 0.00 H new ATOM 0 HG CYS A 49 2.942 -0.951 4.042 1.00 0.00 H new ATOM 792 N LEU A 50 -0.718 1.526 5.645 1.00 0.00 N ATOM 793 CA LEU A 50 -1.794 2.201 4.929 1.00 0.00 C ATOM 794 C LEU A 50 -1.454 3.670 4.701 1.00 0.00 C ATOM 795 O LEU A 50 -1.583 4.181 3.589 1.00 0.00 O ATOM 796 CB LEU A 50 -3.107 2.082 5.706 1.00 0.00 C ATOM 797 CG LEU A 50 -3.862 0.767 5.504 1.00 0.00 C ATOM 798 CD1 LEU A 50 -5.189 0.795 6.247 1.00 0.00 C ATOM 799 CD2 LEU A 50 -4.083 0.502 4.022 1.00 0.00 C ATOM 0 H LEU A 50 -0.975 1.188 6.572 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.912 1.718 3.959 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.895 2.202 6.768 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.759 2.906 5.416 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.258 -0.044 5.911 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.713 -0.148 6.092 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.007 0.938 7.312 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.800 1.615 5.870 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.621 -0.437 3.897 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.666 1.315 3.590 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.120 0.438 3.516 1.00 0.00 H new ATOM 811 N ASP A 51 -1.018 4.343 5.761 1.00 0.00 N ATOM 812 CA ASP A 51 -0.657 5.754 5.673 1.00 0.00 C ATOM 813 C ASP A 51 0.453 5.964 4.648 1.00 0.00 C ATOM 814 O ASP A 51 0.438 6.934 3.890 1.00 0.00 O ATOM 815 CB ASP A 51 -0.212 6.275 7.041 1.00 0.00 C ATOM 816 CG ASP A 51 -0.732 7.671 7.324 1.00 0.00 C ATOM 817 OD1 ASP A 51 -0.700 8.514 6.403 1.00 0.00 O ATOM 818 OD2 ASP A 51 -1.171 7.921 8.466 1.00 0.00 O ATOM 0 H ASP A 51 -0.906 3.935 6.689 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.536 6.312 5.351 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.563 5.595 7.817 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.877 6.279 7.089 1.00 0.00 H new ATOM 823 N GLU A 52 1.413 5.044 4.628 1.00 0.00 N ATOM 824 CA GLU A 52 2.529 5.125 3.693 1.00 0.00 C ATOM 825 C GLU A 52 2.030 5.058 2.253 1.00 0.00 C ATOM 826 O GLU A 52 2.495 5.802 1.389 1.00 0.00 O ATOM 827 CB GLU A 52 3.527 3.994 3.958 1.00 0.00 C ATOM 828 CG GLU A 52 4.889 4.483 4.422 1.00 0.00 C ATOM 829 CD GLU A 52 4.810 5.315 5.687 1.00 0.00 C ATOM 830 OE1 GLU A 52 4.709 4.722 6.782 1.00 0.00 O ATOM 831 OE2 GLU A 52 4.850 6.559 5.583 1.00 0.00 O ATOM 0 H GLU A 52 1.440 4.235 5.248 1.00 0.00 H new ATOM 0 HA GLU A 52 3.032 6.081 3.841 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.114 3.325 4.713 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.651 3.409 3.047 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.539 3.625 4.596 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.347 5.075 3.630 1.00 0.00 H new ATOM 838 N ALA A 53 1.079 4.163 2.003 1.00 0.00 N ATOM 839 CA ALA A 53 0.515 4.001 0.670 1.00 0.00 C ATOM 840 C ALA A 53 -0.133 5.295 0.192 1.00 0.00 C ATOM 841 O ALA A 53 0.043 5.703 -0.956 1.00 0.00 O ATOM 842 CB ALA A 53 -0.498 2.866 0.660 1.00 0.00 C ATOM 0 H ALA A 53 0.684 3.540 2.707 1.00 0.00 H new ATOM 0 HA ALA A 53 1.326 3.754 -0.015 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.912 2.756 -0.343 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.008 1.938 0.954 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.302 3.090 1.361 1.00 0.00 H new ATOM 848 N GLY A 54 -0.882 5.938 1.082 1.00 0.00 N ATOM 849 CA GLY A 54 -1.543 7.182 0.734 1.00 0.00 C ATOM 850 C GLY A 54 -0.559 8.270 0.352 1.00 0.00 C ATOM 851 O GLY A 54 -0.782 9.011 -0.605 1.00 0.00 O ATOM 0 H GLY A 54 -1.043 5.620 2.038 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.228 7.007 -0.096 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.145 7.519 1.578 1.00 0.00 H new ATOM 855 N ASP A 55 0.534 8.365 1.103 1.00 0.00 N ATOM 856 CA ASP A 55 1.558 9.369 0.837 1.00 0.00 C ATOM 857 C ASP A 55 2.305 9.052 -0.454 1.00 0.00 C ATOM 858 O ASP A 55 2.758 9.954 -1.159 1.00 0.00 O ATOM 859 CB ASP A 55 2.543 9.446 2.005 1.00 0.00 C ATOM 860 CG ASP A 55 3.009 10.863 2.275 1.00 0.00 C ATOM 861 OD1 ASP A 55 2.163 11.781 2.246 1.00 0.00 O ATOM 862 OD2 ASP A 55 4.219 11.054 2.516 1.00 0.00 O ATOM 0 H ASP A 55 0.733 7.760 1.899 1.00 0.00 H new ATOM 0 HA ASP A 55 1.065 10.335 0.724 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.071 9.044 2.902 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.407 8.817 1.790 1.00 0.00 H new ATOM 867 N ASN A 56 2.427 7.764 -0.760 1.00 0.00 N ATOM 868 CA ASN A 56 3.117 7.327 -1.968 1.00 0.00 C ATOM 869 C ASN A 56 2.287 7.640 -3.208 1.00 0.00 C ATOM 870 O ASN A 56 2.780 8.241 -4.162 1.00 0.00 O ATOM 871 CB ASN A 56 3.411 5.828 -1.899 1.00 0.00 C ATOM 872 CG ASN A 56 4.787 5.533 -1.335 1.00 0.00 C ATOM 873 OD1 ASN A 56 5.803 5.795 -1.978 1.00 0.00 O ATOM 874 ND2 ASN A 56 4.826 4.985 -0.126 1.00 0.00 N ATOM 0 H ASN A 56 2.057 7.005 -0.188 1.00 0.00 H new ATOM 0 HA ASN A 56 4.060 7.870 -2.037 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.656 5.341 -1.281 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.331 5.399 -2.898 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.724 4.764 0.305 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.958 4.785 0.371 1.00 0.00 H new ATOM 881 N LEU A 57 1.023 7.229 -3.186 1.00 0.00 N ATOM 882 CA LEU A 57 0.122 7.466 -4.308 1.00 0.00 C ATOM 883 C LEU A 57 -0.149 8.957 -4.477 1.00 0.00 C ATOM 884 O LEU A 57 -0.118 9.482 -5.590 1.00 0.00 O ATOM 885 CB LEU A 57 -1.195 6.716 -4.099 1.00 0.00 C ATOM 886 CG LEU A 57 -1.941 7.065 -2.811 1.00 0.00 C ATOM 887 CD1 LEU A 57 -2.892 8.230 -3.043 1.00 0.00 C ATOM 888 CD2 LEU A 57 -2.698 5.853 -2.289 1.00 0.00 C ATOM 0 H LEU A 57 0.600 6.730 -2.403 1.00 0.00 H new ATOM 0 HA LEU A 57 0.601 7.096 -5.214 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.850 6.919 -4.946 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.991 5.645 -4.104 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.210 7.364 -2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.414 8.464 -2.115 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.326 9.102 -3.371 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.618 7.960 -3.810 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.223 6.119 -1.372 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.419 5.524 -3.038 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.995 5.046 -2.083 1.00 0.00 H new ATOM 900 N ALA A 58 -0.413 9.635 -3.365 1.00 0.00 N ATOM 901 CA ALA A 58 -0.687 11.067 -3.389 1.00 0.00 C ATOM 902 C ALA A 58 0.512 11.842 -3.921 1.00 0.00 C ATOM 903 O ALA A 58 0.385 12.646 -4.845 1.00 0.00 O ATOM 904 CB ALA A 58 -1.061 11.557 -1.998 1.00 0.00 C ATOM 0 H ALA A 58 -0.443 9.216 -2.436 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.528 11.242 -4.060 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.263 12.628 -2.031 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.951 11.031 -1.654 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.237 11.364 -1.311 1.00 0.00 H new ATOM 910 N ALA A 59 1.678 11.594 -3.333 1.00 0.00 N ATOM 911 CA ALA A 59 2.902 12.266 -3.749 1.00 0.00 C ATOM 912 C ALA A 59 3.233 11.950 -5.204 1.00 0.00 C ATOM 913 O ALA A 59 3.852 12.756 -5.899 1.00 0.00 O ATOM 914 CB ALA A 59 4.057 11.865 -2.844 1.00 0.00 C ATOM 0 H ALA A 59 1.800 10.932 -2.567 1.00 0.00 H new ATOM 0 HA ALA A 59 2.745 13.341 -3.664 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.965 12.374 -3.166 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.828 12.146 -1.816 1.00 0.00 H new ATOM 0 HB3 ALA A 59 4.206 10.787 -2.901 1.00 0.00 H new ATOM 920 N LEU A 60 2.815 10.773 -5.659 1.00 0.00 N ATOM 921 CA LEU A 60 3.065 10.351 -7.032 1.00 0.00 C ATOM 922 C LEU A 60 2.245 11.182 -8.013 1.00 0.00 C ATOM 923 O LEU A 60 2.750 11.614 -9.050 1.00 0.00 O ATOM 924 CB LEU A 60 2.733 8.867 -7.200 1.00 0.00 C ATOM 925 CG LEU A 60 2.916 8.320 -8.618 1.00 0.00 C ATOM 926 CD1 LEU A 60 4.283 7.670 -8.765 1.00 0.00 C ATOM 927 CD2 LEU A 60 1.813 7.328 -8.954 1.00 0.00 C ATOM 0 H LEU A 60 2.301 10.095 -5.096 1.00 0.00 H new ATOM 0 HA LEU A 60 4.122 10.506 -7.247 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.361 8.290 -6.520 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.699 8.704 -6.895 1.00 0.00 H new ATOM 0 HG LEU A 60 2.854 9.152 -9.319 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.396 7.287 -9.779 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.060 8.408 -8.567 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.374 6.849 -8.054 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.960 6.950 -9.966 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.843 6.498 -8.248 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.845 7.825 -8.889 1.00 0.00 H new ATOM 939 N ARG A 61 0.977 11.401 -7.679 1.00 0.00 N ATOM 940 CA ARG A 61 0.086 12.180 -8.532 1.00 0.00 C ATOM 941 C ARG A 61 0.578 13.617 -8.663 1.00 0.00 C ATOM 942 O ARG A 61 0.605 14.177 -9.758 1.00 0.00 O ATOM 943 CB ARG A 61 -1.336 12.164 -7.968 1.00 0.00 C ATOM 944 CG ARG A 61 -2.379 12.707 -8.932 1.00 0.00 C ATOM 945 CD ARG A 61 -2.779 14.132 -8.580 1.00 0.00 C ATOM 946 NE ARG A 61 -2.180 15.109 -9.486 1.00 0.00 N ATOM 947 CZ ARG A 61 -2.579 16.375 -9.579 1.00 0.00 C ATOM 948 NH1 ARG A 61 -3.575 16.822 -8.824 1.00 0.00 N ATOM 949 NH2 ARG A 61 -1.980 17.198 -10.429 1.00 0.00 N ATOM 0 H ARG A 61 0.544 11.050 -6.825 1.00 0.00 H new ATOM 0 HA ARG A 61 0.081 11.725 -9.523 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.600 11.141 -7.699 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.361 12.752 -7.050 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.985 12.679 -9.948 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.260 12.066 -8.914 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.865 14.223 -8.615 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.474 14.352 -7.557 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.411 14.803 -10.082 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.039 16.194 -8.168 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.876 17.794 -8.900 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.214 16.861 -11.011 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.286 18.168 -10.500 1.00 0.00 H new ATOM 963 N HIS A 62 0.965 14.210 -7.538 1.00 0.00 N ATOM 964 CA HIS A 62 1.456 15.583 -7.527 1.00 0.00 C ATOM 965 C HIS A 62 2.890 15.657 -8.044 1.00 0.00 C ATOM 966 O HIS A 62 3.319 16.686 -8.568 1.00 0.00 O ATOM 967 CB HIS A 62 1.383 16.160 -6.111 1.00 0.00 C ATOM 968 CG HIS A 62 1.630 17.635 -6.053 1.00 0.00 C ATOM 969 ND1 HIS A 62 0.648 18.551 -5.738 1.00 0.00 N ATOM 970 CD2 HIS A 62 2.757 18.355 -6.269 1.00 0.00 C ATOM 971 CE1 HIS A 62 1.159 19.769 -5.765 1.00 0.00 C ATOM 972 NE2 HIS A 62 2.437 19.677 -6.084 1.00 0.00 N ATOM 0 H HIS A 62 0.948 13.761 -6.622 1.00 0.00 H new ATOM 0 HA HIS A 62 0.821 16.173 -8.188 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.400 15.948 -5.691 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.115 15.652 -5.482 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.727 17.962 -6.537 1.00 0.00 H new ATOM 0 HE1 HIS A 62 0.623 20.684 -5.561 1.00 0.00 H new ATOM 0 HE2 HIS A 62 3.082 20.461 -6.178 1.00 0.00 H new ATOM 981 N ALA A 63 3.629 14.562 -7.891 1.00 0.00 N ATOM 982 CA ALA A 63 5.016 14.503 -8.339 1.00 0.00 C ATOM 983 C ALA A 63 5.139 14.840 -9.822 1.00 0.00 C ATOM 984 O ALA A 63 6.146 15.395 -10.259 1.00 0.00 O ATOM 985 CB ALA A 63 5.600 13.126 -8.060 1.00 0.00 C ATOM 0 H ALA A 63 3.289 13.702 -7.459 1.00 0.00 H new ATOM 0 HA ALA A 63 5.580 15.250 -7.780 1.00 0.00 H new ATOM 0 HB1 ALA A 63 6.636 13.094 -8.399 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.562 12.925 -6.989 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.021 12.371 -8.592 1.00 0.00 H new ATOM 991 N VAL A 64 4.110 14.499 -10.592 1.00 0.00 N ATOM 992 CA VAL A 64 4.109 14.765 -12.027 1.00 0.00 C ATOM 993 C VAL A 64 4.325 16.247 -12.316 1.00 0.00 C ATOM 994 O VAL A 64 4.886 16.613 -13.349 1.00 0.00 O ATOM 995 CB VAL A 64 2.790 14.311 -12.683 1.00 0.00 C ATOM 996 CG1 VAL A 64 2.588 12.815 -12.497 1.00 0.00 C ATOM 997 CG2 VAL A 64 1.612 15.090 -12.117 1.00 0.00 C ATOM 0 H VAL A 64 3.268 14.039 -10.247 1.00 0.00 H new ATOM 0 HA VAL A 64 4.934 14.193 -12.453 1.00 0.00 H new ATOM 0 HB VAL A 64 2.850 14.517 -13.752 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.652 12.513 -12.967 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.416 12.276 -12.958 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.552 12.582 -11.433 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.691 14.754 -12.593 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.547 14.921 -11.042 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.753 16.154 -12.309 1.00 0.00 H new ATOM 1007 N GLU A 65 3.875 17.096 -11.398 1.00 0.00 N ATOM 1008 CA GLU A 65 4.018 18.539 -11.556 1.00 0.00 C ATOM 1009 C GLU A 65 5.478 18.965 -11.427 1.00 0.00 C ATOM 1010 O GLU A 65 5.881 19.999 -11.961 1.00 0.00 O ATOM 1011 CB GLU A 65 3.165 19.272 -10.517 1.00 0.00 C ATOM 1012 CG GLU A 65 1.805 19.703 -11.042 1.00 0.00 C ATOM 1013 CD GLU A 65 1.416 21.094 -10.581 1.00 0.00 C ATOM 1014 OE1 GLU A 65 1.895 21.519 -9.508 1.00 0.00 O ATOM 1015 OE2 GLU A 65 0.633 21.758 -11.292 1.00 0.00 O ATOM 0 H GLU A 65 3.408 16.810 -10.537 1.00 0.00 H new ATOM 0 HA GLU A 65 3.672 18.804 -12.555 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.023 18.623 -9.653 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.707 20.152 -10.170 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.815 19.675 -12.132 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.050 18.990 -10.711 1.00 0.00 H new ATOM 1022 N GLN A 66 6.268 18.165 -10.716 1.00 0.00 N ATOM 1023 CA GLN A 66 7.682 18.466 -10.521 1.00 0.00 C ATOM 1024 C GLN A 66 8.555 17.645 -11.466 1.00 0.00 C ATOM 1025 O GLN A 66 9.745 17.452 -11.214 1.00 0.00 O ATOM 1026 CB GLN A 66 8.086 18.196 -9.071 1.00 0.00 C ATOM 1027 CG GLN A 66 9.391 18.864 -8.668 1.00 0.00 C ATOM 1028 CD GLN A 66 9.184 20.264 -8.125 1.00 0.00 C ATOM 1029 OE1 GLN A 66 9.221 21.243 -8.870 1.00 0.00 O ATOM 1030 NE2 GLN A 66 8.966 20.366 -6.819 1.00 0.00 N ATOM 0 H GLN A 66 5.953 17.305 -10.266 1.00 0.00 H new ATOM 0 HA GLN A 66 7.835 19.522 -10.745 1.00 0.00 H new ATOM 0 HB2 GLN A 66 7.291 18.543 -8.411 1.00 0.00 H new ATOM 0 HB3 GLN A 66 8.177 17.120 -8.922 1.00 0.00 H new ATOM 0 HG2 GLN A 66 9.889 18.255 -7.913 1.00 0.00 H new ATOM 0 HG3 GLN A 66 10.055 18.907 -9.531 1.00 0.00 H new ATOM 0 HE21 GLN A 66 8.944 19.527 -6.239 1.00 0.00 H new ATOM 0 HE22 GLN A 66 8.821 21.283 -6.396 1.00 0.00 H new ATOM 1039 N GLN A 67 7.961 17.164 -12.555 1.00 0.00 N ATOM 1040 CA GLN A 67 8.689 16.365 -13.535 1.00 0.00 C ATOM 1041 C GLN A 67 9.372 15.172 -12.871 1.00 0.00 C ATOM 1042 O GLN A 67 10.571 14.952 -13.046 1.00 0.00 O ATOM 1043 CB GLN A 67 9.725 17.229 -14.258 1.00 0.00 C ATOM 1044 CG GLN A 67 9.117 18.187 -15.270 1.00 0.00 C ATOM 1045 CD GLN A 67 8.507 17.469 -16.458 1.00 0.00 C ATOM 1046 OE1 GLN A 67 9.206 16.802 -17.222 1.00 0.00 O ATOM 1047 NE2 GLN A 67 7.196 17.602 -16.620 1.00 0.00 N ATOM 0 H GLN A 67 6.978 17.314 -12.780 1.00 0.00 H new ATOM 0 HA GLN A 67 7.972 15.986 -14.263 1.00 0.00 H new ATOM 0 HB2 GLN A 67 10.287 17.801 -13.520 1.00 0.00 H new ATOM 0 HB3 GLN A 67 10.437 16.579 -14.767 1.00 0.00 H new ATOM 0 HG2 GLN A 67 8.351 18.788 -14.781 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.886 18.875 -15.621 1.00 0.00 H new ATOM 0 HE21 GLN A 67 6.655 18.164 -15.963 1.00 0.00 H new ATOM 0 HE22 GLN A 67 6.729 17.142 -17.402 1.00 0.00 H new ATOM 1056 N GLN A 68 8.600 14.405 -12.108 1.00 0.00 N ATOM 1057 CA GLN A 68 9.128 13.235 -11.417 1.00 0.00 C ATOM 1058 C GLN A 68 8.852 11.963 -12.215 1.00 0.00 C ATOM 1059 O GLN A 68 8.562 10.910 -11.647 1.00 0.00 O ATOM 1060 CB GLN A 68 8.515 13.125 -10.018 1.00 0.00 C ATOM 1061 CG GLN A 68 9.542 13.187 -8.900 1.00 0.00 C ATOM 1062 CD GLN A 68 9.765 14.597 -8.391 1.00 0.00 C ATOM 1063 OE1 GLN A 68 8.849 15.236 -7.873 1.00 0.00 O ATOM 1064 NE2 GLN A 68 10.990 15.091 -8.536 1.00 0.00 N ATOM 0 H GLN A 68 7.606 14.573 -11.953 1.00 0.00 H new ATOM 0 HA GLN A 68 10.208 13.352 -11.322 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.793 13.930 -9.882 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.965 12.187 -9.944 1.00 0.00 H new ATOM 0 HG2 GLN A 68 9.214 12.554 -8.075 1.00 0.00 H new ATOM 0 HG3 GLN A 68 10.488 12.780 -9.257 1.00 0.00 H new ATOM 0 HE21 GLN A 68 11.719 14.526 -8.971 1.00 0.00 H new ATOM 0 HE22 GLN A 68 11.201 16.035 -8.212 1.00 0.00 H new ATOM 1073 N LEU A 69 8.945 12.070 -13.537 1.00 0.00 N ATOM 1074 CA LEU A 69 8.706 10.933 -14.420 1.00 0.00 C ATOM 1075 C LEU A 69 9.555 9.724 -14.020 1.00 0.00 C ATOM 1076 O LEU A 69 9.028 8.627 -13.839 1.00 0.00 O ATOM 1077 CB LEU A 69 8.990 11.320 -15.873 1.00 0.00 C ATOM 1078 CG LEU A 69 8.280 12.588 -16.355 1.00 0.00 C ATOM 1079 CD1 LEU A 69 9.220 13.446 -17.188 1.00 0.00 C ATOM 1080 CD2 LEU A 69 7.033 12.231 -17.151 1.00 0.00 C ATOM 0 H LEU A 69 9.185 12.935 -14.022 1.00 0.00 H new ATOM 0 HA LEU A 69 7.657 10.652 -14.324 1.00 0.00 H new ATOM 0 HB2 LEU A 69 10.065 11.455 -15.994 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.698 10.491 -16.518 1.00 0.00 H new ATOM 0 HG LEU A 69 7.977 13.165 -15.481 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.696 14.342 -17.521 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.082 13.732 -16.585 1.00 0.00 H new ATOM 0 HD13 LEU A 69 9.557 12.879 -18.056 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.541 13.144 -17.486 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.313 11.632 -18.017 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.350 11.661 -16.521 1.00 0.00 H new ATOM 1092 N PRO A 70 10.883 9.901 -13.876 1.00 0.00 N ATOM 1093 CA PRO A 70 11.781 8.803 -13.496 1.00 0.00 C ATOM 1094 C PRO A 70 11.495 8.278 -12.092 1.00 0.00 C ATOM 1095 O PRO A 70 11.804 7.130 -11.775 1.00 0.00 O ATOM 1096 CB PRO A 70 13.176 9.435 -13.557 1.00 0.00 C ATOM 1097 CG PRO A 70 12.941 10.898 -13.415 1.00 0.00 C ATOM 1098 CD PRO A 70 11.615 11.168 -14.068 1.00 0.00 C ATOM 0 HA PRO A 70 11.664 7.941 -14.153 1.00 0.00 H new ATOM 0 HB2 PRO A 70 13.815 9.058 -12.759 1.00 0.00 H new ATOM 0 HB3 PRO A 70 13.673 9.204 -14.499 1.00 0.00 H new ATOM 0 HG2 PRO A 70 12.926 11.191 -12.365 1.00 0.00 H new ATOM 0 HG3 PRO A 70 13.736 11.470 -13.894 1.00 0.00 H new ATOM 0 HD2 PRO A 70 11.099 12.007 -13.601 1.00 0.00 H new ATOM 0 HD3 PRO A 70 11.728 11.412 -15.124 1.00 0.00 H new ATOM 1106 N GLN A 71 10.903 9.125 -11.256 1.00 0.00 N ATOM 1107 CA GLN A 71 10.575 8.743 -9.887 1.00 0.00 C ATOM 1108 C GLN A 71 9.323 7.872 -9.847 1.00 0.00 C ATOM 1109 O GLN A 71 9.148 7.062 -8.936 1.00 0.00 O ATOM 1110 CB GLN A 71 10.374 9.989 -9.022 1.00 0.00 C ATOM 1111 CG GLN A 71 11.046 9.900 -7.662 1.00 0.00 C ATOM 1112 CD GLN A 71 12.337 10.692 -7.597 1.00 0.00 C ATOM 1113 OE1 GLN A 71 12.491 11.584 -6.762 1.00 0.00 O ATOM 1114 NE2 GLN A 71 13.274 10.371 -8.482 1.00 0.00 N ATOM 0 H GLN A 71 10.641 10.079 -11.502 1.00 0.00 H new ATOM 0 HA GLN A 71 11.408 8.164 -9.489 1.00 0.00 H new ATOM 0 HB2 GLN A 71 10.763 10.857 -9.554 1.00 0.00 H new ATOM 0 HB3 GLN A 71 9.306 10.154 -8.880 1.00 0.00 H new ATOM 0 HG2 GLN A 71 10.361 10.266 -6.898 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.253 8.855 -7.431 1.00 0.00 H new ATOM 0 HE21 GLN A 71 13.104 9.625 -9.156 1.00 0.00 H new ATOM 0 HE22 GLN A 71 14.163 10.871 -8.487 1.00 0.00 H new ATOM 1123 N VAL A 72 8.453 8.043 -10.839 1.00 0.00 N ATOM 1124 CA VAL A 72 7.216 7.273 -10.915 1.00 0.00 C ATOM 1125 C VAL A 72 7.495 5.774 -10.895 1.00 0.00 C ATOM 1126 O VAL A 72 6.689 4.989 -10.395 1.00 0.00 O ATOM 1127 CB VAL A 72 6.419 7.618 -12.188 1.00 0.00 C ATOM 1128 CG1 VAL A 72 5.055 6.945 -12.165 1.00 0.00 C ATOM 1129 CG2 VAL A 72 6.276 9.125 -12.336 1.00 0.00 C ATOM 0 H VAL A 72 8.582 8.708 -11.601 1.00 0.00 H new ATOM 0 HA VAL A 72 6.625 7.539 -10.039 1.00 0.00 H new ATOM 0 HB VAL A 72 6.968 7.242 -13.051 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.508 7.201 -13.072 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.184 5.864 -12.111 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.495 7.287 -11.295 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.711 9.350 -13.240 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.750 9.527 -11.470 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.264 9.579 -12.404 1.00 0.00 H new ATOM 1139 N ALA A 73 8.641 5.382 -11.441 1.00 0.00 N ATOM 1140 CA ALA A 73 9.026 3.977 -11.485 1.00 0.00 C ATOM 1141 C ALA A 73 9.128 3.391 -10.081 1.00 0.00 C ATOM 1142 O ALA A 73 8.557 2.339 -9.793 1.00 0.00 O ATOM 1143 CB ALA A 73 10.345 3.814 -12.225 1.00 0.00 C ATOM 0 H ALA A 73 9.320 6.018 -11.859 1.00 0.00 H new ATOM 0 HA ALA A 73 8.251 3.430 -12.022 1.00 0.00 H new ATOM 0 HB1 ALA A 73 10.620 2.760 -12.250 1.00 0.00 H new ATOM 0 HB2 ALA A 73 10.239 4.186 -13.244 1.00 0.00 H new ATOM 0 HB3 ALA A 73 11.123 4.380 -11.712 1.00 0.00 H new ATOM 1149 N TRP A 74 9.861 4.078 -9.211 1.00 0.00 N ATOM 1150 CA TRP A 74 10.040 3.625 -7.836 1.00 0.00 C ATOM 1151 C TRP A 74 8.730 3.711 -7.058 1.00 0.00 C ATOM 1152 O TRP A 74 8.320 2.752 -6.406 1.00 0.00 O ATOM 1153 CB TRP A 74 11.118 4.456 -7.139 1.00 0.00 C ATOM 1154 CG TRP A 74 12.033 3.640 -6.278 1.00 0.00 C ATOM 1155 CD1 TRP A 74 12.756 2.546 -6.657 1.00 0.00 C ATOM 1156 CD2 TRP A 74 12.322 3.853 -4.891 1.00 0.00 C ATOM 1157 NE1 TRP A 74 13.477 2.065 -5.591 1.00 0.00 N ATOM 1158 CE2 TRP A 74 13.228 2.851 -4.496 1.00 0.00 C ATOM 1159 CE3 TRP A 74 11.904 4.794 -3.946 1.00 0.00 C ATOM 1160 CZ2 TRP A 74 13.722 2.764 -3.196 1.00 0.00 C ATOM 1161 CZ3 TRP A 74 12.395 4.707 -2.657 1.00 0.00 C ATOM 1162 CH2 TRP A 74 13.296 3.698 -2.293 1.00 0.00 C ATOM 0 H TRP A 74 10.341 4.950 -9.433 1.00 0.00 H new ATOM 0 HA TRP A 74 10.356 2.582 -7.862 1.00 0.00 H new ATOM 0 HB2 TRP A 74 11.709 4.977 -7.892 1.00 0.00 H new ATOM 0 HB3 TRP A 74 10.639 5.219 -6.526 1.00 0.00 H new ATOM 0 HD1 TRP A 74 12.761 2.121 -7.650 1.00 0.00 H new ATOM 0 HE1 TRP A 74 14.097 1.255 -5.611 1.00 0.00 H new ATOM 0 HE3 TRP A 74 11.210 5.575 -4.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 14.416 1.987 -2.912 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 12.079 5.429 -1.918 1.00 0.00 H new ATOM 0 HH2 TRP A 74 13.662 3.657 -1.278 1.00 0.00 H new ATOM 1173 N LEU A 75 8.080 4.868 -7.131 1.00 0.00 N ATOM 1174 CA LEU A 75 6.817 5.080 -6.432 1.00 0.00 C ATOM 1175 C LEU A 75 5.763 4.078 -6.892 1.00 0.00 C ATOM 1176 O LEU A 75 4.891 3.681 -6.120 1.00 0.00 O ATOM 1177 CB LEU A 75 6.316 6.507 -6.664 1.00 0.00 C ATOM 1178 CG LEU A 75 6.864 7.553 -5.687 1.00 0.00 C ATOM 1179 CD1 LEU A 75 7.684 8.600 -6.427 1.00 0.00 C ATOM 1180 CD2 LEU A 75 5.730 8.212 -4.915 1.00 0.00 C ATOM 0 H LEU A 75 8.406 5.673 -7.666 1.00 0.00 H new ATOM 0 HA LEU A 75 6.992 4.931 -5.366 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.578 6.807 -7.679 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.228 6.509 -6.602 1.00 0.00 H new ATOM 0 HG LEU A 75 7.515 7.046 -4.975 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.064 9.334 -5.716 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.520 8.117 -6.932 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.055 9.101 -7.164 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.140 8.951 -4.227 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.052 8.703 -5.613 1.00 0.00 H new ATOM 0 HD23 LEU A 75 5.185 7.455 -4.351 1.00 0.00 H new ATOM 1192 N ALA A 76 5.849 3.674 -8.155 1.00 0.00 N ATOM 1193 CA ALA A 76 4.903 2.719 -8.718 1.00 0.00 C ATOM 1194 C ALA A 76 5.082 1.336 -8.101 1.00 0.00 C ATOM 1195 O ALA A 76 4.128 0.741 -7.599 1.00 0.00 O ATOM 1196 CB ALA A 76 5.061 2.648 -10.230 1.00 0.00 C ATOM 0 H ALA A 76 6.565 3.993 -8.808 1.00 0.00 H new ATOM 0 HA ALA A 76 3.896 3.064 -8.484 1.00 0.00 H new ATOM 0 HB1 ALA A 76 4.348 1.931 -10.637 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.874 3.631 -10.662 1.00 0.00 H new ATOM 0 HB3 ALA A 76 6.075 2.331 -10.475 1.00 0.00 H new ATOM 1202 N GLU A 77 6.310 0.830 -8.142 1.00 0.00 N ATOM 1203 CA GLU A 77 6.615 -0.484 -7.587 1.00 0.00 C ATOM 1204 C GLU A 77 6.333 -0.522 -6.088 1.00 0.00 C ATOM 1205 O GLU A 77 5.889 -1.539 -5.556 1.00 0.00 O ATOM 1206 CB GLU A 77 8.077 -0.845 -7.852 1.00 0.00 C ATOM 1207 CG GLU A 77 9.062 0.202 -7.357 1.00 0.00 C ATOM 1208 CD GLU A 77 10.495 -0.294 -7.368 1.00 0.00 C ATOM 1209 OE1 GLU A 77 11.026 -0.550 -8.469 1.00 0.00 O ATOM 1210 OE2 GLU A 77 11.086 -0.426 -6.276 1.00 0.00 O ATOM 0 H GLU A 77 7.110 1.310 -8.554 1.00 0.00 H new ATOM 0 HA GLU A 77 5.972 -1.215 -8.077 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.300 -1.798 -7.371 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.219 -0.987 -8.923 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.985 1.092 -7.981 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.792 0.499 -6.344 1.00 0.00 H new ATOM 1217 N HIS A 78 6.595 0.592 -5.413 1.00 0.00 N ATOM 1218 CA HIS A 78 6.371 0.686 -3.975 1.00 0.00 C ATOM 1219 C HIS A 78 4.886 0.565 -3.646 1.00 0.00 C ATOM 1220 O HIS A 78 4.506 -0.108 -2.688 1.00 0.00 O ATOM 1221 CB HIS A 78 6.918 2.009 -3.438 1.00 0.00 C ATOM 1222 CG HIS A 78 7.387 1.931 -2.018 1.00 0.00 C ATOM 1223 ND1 HIS A 78 8.320 2.795 -1.484 1.00 0.00 N ATOM 1224 CD2 HIS A 78 7.045 1.084 -1.018 1.00 0.00 C ATOM 1225 CE1 HIS A 78 8.532 2.482 -0.218 1.00 0.00 C ATOM 1226 NE2 HIS A 78 7.771 1.448 0.089 1.00 0.00 N ATOM 0 H HIS A 78 6.963 1.443 -5.839 1.00 0.00 H new ATOM 0 HA HIS A 78 6.899 -0.139 -3.496 1.00 0.00 H new ATOM 0 HB2 HIS A 78 7.746 2.333 -4.068 1.00 0.00 H new ATOM 0 HB3 HIS A 78 6.142 2.771 -3.514 1.00 0.00 H new ATOM 0 HD2 HIS A 78 6.334 0.274 -1.080 1.00 0.00 H new ATOM 0 HE1 HIS A 78 9.212 2.987 0.452 1.00 0.00 H new ATOM 0 HE2 HIS A 78 7.729 0.993 1.001 1.00 0.00 H new ATOM 1235 N LEU A 79 4.053 1.223 -4.445 1.00 0.00 N ATOM 1236 CA LEU A 79 2.609 1.190 -4.237 1.00 0.00 C ATOM 1237 C LEU A 79 2.049 -0.203 -4.509 1.00 0.00 C ATOM 1238 O LEU A 79 1.261 -0.730 -3.724 1.00 0.00 O ATOM 1239 CB LEU A 79 1.920 2.215 -5.140 1.00 0.00 C ATOM 1240 CG LEU A 79 1.819 3.626 -4.559 1.00 0.00 C ATOM 1241 CD1 LEU A 79 1.357 4.610 -5.623 1.00 0.00 C ATOM 1242 CD2 LEU A 79 0.873 3.643 -3.368 1.00 0.00 C ATOM 0 H LEU A 79 4.352 1.785 -5.242 1.00 0.00 H new ATOM 0 HA LEU A 79 2.412 1.442 -3.195 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.461 2.266 -6.085 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.915 1.859 -5.367 1.00 0.00 H new ATOM 0 HG LEU A 79 2.808 3.931 -4.218 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.291 5.609 -5.191 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.071 4.617 -6.446 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.377 4.310 -5.995 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.812 4.654 -2.966 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.118 3.319 -3.686 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.246 2.968 -2.597 1.00 0.00 H new ATOM 1254 N ALA A 80 2.460 -0.792 -5.627 1.00 0.00 N ATOM 1255 CA ALA A 80 1.997 -2.123 -6.004 1.00 0.00 C ATOM 1256 C ALA A 80 2.382 -3.158 -4.953 1.00 0.00 C ATOM 1257 O ALA A 80 1.572 -4.007 -4.578 1.00 0.00 O ATOM 1258 CB ALA A 80 2.563 -2.511 -7.362 1.00 0.00 C ATOM 0 H ALA A 80 3.112 -0.369 -6.288 1.00 0.00 H new ATOM 0 HA ALA A 80 0.909 -2.098 -6.068 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.210 -3.506 -7.632 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.233 -1.793 -8.112 1.00 0.00 H new ATOM 0 HB3 ALA A 80 3.652 -2.512 -7.315 1.00 0.00 H new ATOM 1264 N ALA A 81 3.622 -3.084 -4.481 1.00 0.00 N ATOM 1265 CA ALA A 81 4.114 -4.017 -3.474 1.00 0.00 C ATOM 1266 C ALA A 81 3.336 -3.879 -2.169 1.00 0.00 C ATOM 1267 O ALA A 81 3.006 -4.874 -1.524 1.00 0.00 O ATOM 1268 CB ALA A 81 5.600 -3.795 -3.232 1.00 0.00 C ATOM 0 H ALA A 81 4.305 -2.387 -4.780 1.00 0.00 H new ATOM 0 HA ALA A 81 3.965 -5.030 -3.848 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.955 -4.498 -2.478 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.147 -3.953 -4.161 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.763 -2.775 -2.883 1.00 0.00 H new ATOM 1274 N GLN A 82 3.048 -2.640 -1.785 1.00 0.00 N ATOM 1275 CA GLN A 82 2.310 -2.372 -0.556 1.00 0.00 C ATOM 1276 C GLN A 82 0.934 -3.030 -0.590 1.00 0.00 C ATOM 1277 O GLN A 82 0.585 -3.807 0.299 1.00 0.00 O ATOM 1278 CB GLN A 82 2.162 -0.864 -0.344 1.00 0.00 C ATOM 1279 CG GLN A 82 3.393 -0.211 0.265 1.00 0.00 C ATOM 1280 CD GLN A 82 3.137 0.337 1.655 1.00 0.00 C ATOM 1281 OE1 GLN A 82 3.558 -0.248 2.653 1.00 0.00 O ATOM 1282 NE2 GLN A 82 2.444 1.468 1.727 1.00 0.00 N ATOM 0 H GLN A 82 3.314 -1.805 -2.307 1.00 0.00 H new ATOM 0 HA GLN A 82 2.874 -2.796 0.275 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.946 -0.390 -1.302 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.305 -0.679 0.304 1.00 0.00 H new ATOM 0 HG2 GLN A 82 4.202 -0.940 0.310 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.729 0.598 -0.384 1.00 0.00 H new ATOM 0 HE21 GLN A 82 2.114 1.919 0.874 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.242 1.885 2.636 1.00 0.00 H new ATOM 1291 N LEU A 83 0.156 -2.711 -1.620 1.00 0.00 N ATOM 1292 CA LEU A 83 -1.184 -3.267 -1.771 1.00 0.00 C ATOM 1293 C LEU A 83 -1.160 -4.792 -1.712 1.00 0.00 C ATOM 1294 O LEU A 83 -1.947 -5.408 -0.993 1.00 0.00 O ATOM 1295 CB LEU A 83 -1.799 -2.803 -3.095 1.00 0.00 C ATOM 1296 CG LEU A 83 -3.126 -2.053 -2.968 1.00 0.00 C ATOM 1297 CD1 LEU A 83 -4.249 -3.014 -2.608 1.00 0.00 C ATOM 1298 CD2 LEU A 83 -3.018 -0.945 -1.931 1.00 0.00 C ATOM 0 H LEU A 83 0.431 -2.069 -2.363 1.00 0.00 H new ATOM 0 HA LEU A 83 -1.795 -2.906 -0.943 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.083 -2.158 -3.604 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.952 -3.674 -3.732 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.357 -1.599 -3.931 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -5.186 -2.463 -2.522 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -4.344 -3.771 -3.386 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -4.024 -3.497 -1.657 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.972 -0.423 -1.855 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.762 -1.376 -0.963 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.242 -0.241 -2.231 1.00 0.00 H new ATOM 1310 N GLU A 84 -0.255 -5.395 -2.475 1.00 0.00 N ATOM 1311 CA GLU A 84 -0.131 -6.848 -2.511 1.00 0.00 C ATOM 1312 C GLU A 84 0.244 -7.400 -1.139 1.00 0.00 C ATOM 1313 O GLU A 84 -0.362 -8.358 -0.658 1.00 0.00 O ATOM 1314 CB GLU A 84 0.915 -7.264 -3.547 1.00 0.00 C ATOM 1315 CG GLU A 84 0.470 -8.420 -4.429 1.00 0.00 C ATOM 1316 CD GLU A 84 0.717 -8.159 -5.902 1.00 0.00 C ATOM 1317 OE1 GLU A 84 1.897 -8.136 -6.311 1.00 0.00 O ATOM 1318 OE2 GLU A 84 -0.269 -7.978 -6.647 1.00 0.00 O ATOM 0 H GLU A 84 0.404 -4.900 -3.077 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.098 -7.263 -2.794 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.151 -6.407 -4.177 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.834 -7.544 -3.032 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.000 -9.325 -4.130 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.592 -8.605 -4.270 1.00 0.00 H new ATOM 1325 N ALA A 85 1.248 -6.793 -0.514 1.00 0.00 N ATOM 1326 CA ALA A 85 1.704 -7.227 0.801 1.00 0.00 C ATOM 1327 C ALA A 85 0.571 -7.177 1.822 1.00 0.00 C ATOM 1328 O ALA A 85 0.409 -8.094 2.628 1.00 0.00 O ATOM 1329 CB ALA A 85 2.871 -6.368 1.264 1.00 0.00 C ATOM 0 H ALA A 85 1.761 -5.999 -0.897 1.00 0.00 H new ATOM 0 HA ALA A 85 2.037 -8.262 0.718 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.202 -6.703 2.247 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.693 -6.458 0.554 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.555 -5.326 1.323 1.00 0.00 H new ATOM 1335 N ILE A 86 -0.209 -6.102 1.782 1.00 0.00 N ATOM 1336 CA ILE A 86 -1.325 -5.933 2.705 1.00 0.00 C ATOM 1337 C ILE A 86 -2.458 -6.902 2.380 1.00 0.00 C ATOM 1338 O ILE A 86 -2.979 -7.581 3.265 1.00 0.00 O ATOM 1339 CB ILE A 86 -1.870 -4.492 2.669 1.00 0.00 C ATOM 1340 CG1 ILE A 86 -0.735 -3.488 2.880 1.00 0.00 C ATOM 1341 CG2 ILE A 86 -2.951 -4.304 3.723 1.00 0.00 C ATOM 1342 CD1 ILE A 86 -0.968 -2.159 2.196 1.00 0.00 C ATOM 0 H ILE A 86 -0.089 -5.335 1.120 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.945 -6.145 3.704 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.312 -4.314 1.689 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.604 -3.319 3.949 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.195 -3.920 2.510 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.324 -3.281 3.683 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.770 -4.997 3.531 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.534 -4.500 4.711 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.123 -1.498 2.389 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.069 -2.315 1.122 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.880 -1.705 2.584 1.00 0.00 H new ATOM 1354 N ALA A 87 -2.835 -6.960 1.108 1.00 0.00 N ATOM 1355 CA ALA A 87 -3.908 -7.844 0.667 1.00 0.00 C ATOM 1356 C ALA A 87 -3.596 -9.299 1.000 1.00 0.00 C ATOM 1357 O ALA A 87 -4.500 -10.099 1.240 1.00 0.00 O ATOM 1358 CB ALA A 87 -4.143 -7.682 -0.827 1.00 0.00 C ATOM 0 H ALA A 87 -2.413 -6.405 0.363 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.817 -7.565 1.201 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.946 -8.347 -1.143 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.421 -6.650 -1.042 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.230 -7.932 -1.368 1.00 0.00 H new ATOM 1364 N ARG A 88 -2.310 -9.636 1.013 1.00 0.00 N ATOM 1365 CA ARG A 88 -1.880 -10.996 1.317 1.00 0.00 C ATOM 1366 C ARG A 88 -2.035 -11.299 2.804 1.00 0.00 C ATOM 1367 O ARG A 88 -2.649 -12.296 3.184 1.00 0.00 O ATOM 1368 CB ARG A 88 -0.425 -11.200 0.887 1.00 0.00 C ATOM 1369 CG ARG A 88 -0.244 -12.302 -0.144 1.00 0.00 C ATOM 1370 CD ARG A 88 -0.818 -11.902 -1.495 1.00 0.00 C ATOM 1371 NE ARG A 88 0.072 -12.261 -2.596 1.00 0.00 N ATOM 1372 CZ ARG A 88 -0.318 -12.355 -3.865 1.00 0.00 C ATOM 1373 NH1 ARG A 88 -1.581 -12.116 -4.197 1.00 0.00 N ATOM 1374 NH2 ARG A 88 0.556 -12.687 -4.805 1.00 0.00 N ATOM 0 H ARG A 88 -1.548 -8.986 0.817 1.00 0.00 H new ATOM 0 HA ARG A 88 -2.515 -11.685 0.760 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -0.041 -10.265 0.479 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.175 -11.434 1.766 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.816 -12.530 -0.251 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -0.732 -13.212 0.205 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -1.784 -12.387 -1.637 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -0.996 -10.827 -1.509 1.00 0.00 H new ATOM 0 HE ARG A 88 1.050 -12.451 -2.380 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -2.257 -11.859 -3.478 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -1.875 -12.189 -5.171 1.00 0.00 H new ATOM 0 HH21 ARG A 88 1.528 -12.871 -4.556 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.256 -12.759 -5.777 1.00 0.00 H new ATOM 1388 N GLU A 89 -1.473 -10.433 3.641 1.00 0.00 N ATOM 1389 CA GLU A 89 -1.547 -10.608 5.087 1.00 0.00 C ATOM 1390 C GLU A 89 -2.991 -10.539 5.573 1.00 0.00 C ATOM 1391 O GLU A 89 -3.434 -11.378 6.357 1.00 0.00 O ATOM 1392 CB GLU A 89 -0.707 -9.543 5.795 1.00 0.00 C ATOM 1393 CG GLU A 89 0.753 -9.539 5.370 1.00 0.00 C ATOM 1394 CD GLU A 89 1.703 -9.690 6.542 1.00 0.00 C ATOM 1395 OE1 GLU A 89 1.601 -8.891 7.496 1.00 0.00 O ATOM 1396 OE2 GLU A 89 2.549 -10.609 6.506 1.00 0.00 O ATOM 0 H GLU A 89 -0.961 -9.603 3.343 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.150 -11.594 5.328 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -1.137 -8.561 5.597 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -0.763 -9.704 6.872 1.00 0.00 H new ATOM 0 HG2 GLU A 89 0.924 -10.350 4.662 1.00 0.00 H new ATOM 0 HG3 GLU A 89 0.973 -8.608 4.847 1.00 0.00 H new ATOM 1403 N ALA A 90 -3.721 -9.532 5.104 1.00 0.00 N ATOM 1404 CA ALA A 90 -5.115 -9.352 5.492 1.00 0.00 C ATOM 1405 C ALA A 90 -5.951 -10.575 5.128 1.00 0.00 C ATOM 1406 O ALA A 90 -6.697 -11.098 5.955 1.00 0.00 O ATOM 1407 CB ALA A 90 -5.688 -8.105 4.836 1.00 0.00 C ATOM 0 H ALA A 90 -3.370 -8.828 4.455 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.151 -9.230 6.575 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.729 -7.983 5.134 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.116 -7.233 5.151 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -5.630 -8.205 3.752 1.00 0.00 H new ATOM 1413 N SER A 91 -5.822 -11.024 3.884 1.00 0.00 N ATOM 1414 CA SER A 91 -6.567 -12.185 3.410 1.00 0.00 C ATOM 1415 C SER A 91 -6.092 -13.459 4.103 1.00 0.00 C ATOM 1416 O SER A 91 -6.865 -14.398 4.294 1.00 0.00 O ATOM 1417 CB SER A 91 -6.416 -12.330 1.894 1.00 0.00 C ATOM 1418 OG SER A 91 -7.495 -13.064 1.342 1.00 0.00 O ATOM 0 H SER A 91 -5.209 -10.602 3.186 1.00 0.00 H new ATOM 0 HA SER A 91 -7.619 -12.032 3.652 1.00 0.00 H new ATOM 0 HB2 SER A 91 -6.370 -11.343 1.434 1.00 0.00 H new ATOM 0 HB3 SER A 91 -5.476 -12.832 1.665 1.00 0.00 H new ATOM 0 HG SER A 91 -7.376 -13.141 0.372 1.00 0.00 H new ATOM 1424 N ALA A 92 -4.817 -13.485 4.477 1.00 0.00 N ATOM 1425 CA ALA A 92 -4.241 -14.644 5.147 1.00 0.00 C ATOM 1426 C ALA A 92 -4.937 -14.912 6.478 1.00 0.00 C ATOM 1427 O ALA A 92 -5.454 -16.005 6.710 1.00 0.00 O ATOM 1428 CB ALA A 92 -2.749 -14.441 5.362 1.00 0.00 C ATOM 0 H ALA A 92 -4.163 -12.716 4.327 1.00 0.00 H new ATOM 0 HA ALA A 92 -4.391 -15.514 4.507 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.332 -15.314 5.863 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -2.258 -14.306 4.398 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -2.587 -13.557 5.979 1.00 0.00 H new ATOM 1434 N TRP A 93 -4.945 -13.909 7.349 1.00 0.00 N ATOM 1435 CA TRP A 93 -5.576 -14.037 8.658 1.00 0.00 C ATOM 1436 C TRP A 93 -7.059 -14.369 8.518 1.00 0.00 C ATOM 1437 O TRP A 93 -7.636 -15.048 9.367 1.00 0.00 O ATOM 1438 CB TRP A 93 -5.406 -12.747 9.463 1.00 0.00 C ATOM 1439 CG TRP A 93 -4.032 -12.157 9.359 1.00 0.00 C ATOM 1440 CD1 TRP A 93 -3.716 -10.861 9.072 1.00 0.00 C ATOM 1441 CD2 TRP A 93 -2.789 -12.844 9.539 1.00 0.00 C ATOM 1442 NE1 TRP A 93 -2.352 -10.699 9.062 1.00 0.00 N ATOM 1443 CE2 TRP A 93 -1.761 -11.902 9.346 1.00 0.00 C ATOM 1444 CE3 TRP A 93 -2.446 -14.164 9.845 1.00 0.00 C ATOM 1445 CZ2 TRP A 93 -0.413 -12.239 9.449 1.00 0.00 C ATOM 1446 CZ3 TRP A 93 -1.108 -14.497 9.947 1.00 0.00 C ATOM 1447 CH2 TRP A 93 -0.106 -13.538 9.750 1.00 0.00 C ATOM 0 H TRP A 93 -4.522 -12.998 7.172 1.00 0.00 H new ATOM 0 HA TRP A 93 -5.086 -14.854 9.188 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -6.135 -12.014 9.118 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -5.628 -12.949 10.511 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -4.434 -10.077 8.881 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -1.860 -9.826 8.874 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -3.212 -14.910 9.999 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 0.361 -11.502 9.297 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -0.831 -15.514 10.183 1.00 0.00 H new ATOM 0 HH2 TRP A 93 0.930 -13.830 9.838 1.00 0.00 H new ATOM 1458 N SER A 94 -7.669 -13.884 7.442 1.00 0.00 N ATOM 1459 CA SER A 94 -9.085 -14.128 7.191 1.00 0.00 C ATOM 1460 C SER A 94 -9.357 -15.611 6.954 1.00 0.00 C ATOM 1461 O SER A 94 -10.491 -16.072 7.085 1.00 0.00 O ATOM 1462 CB SER A 94 -9.558 -13.313 5.986 1.00 0.00 C ATOM 1463 OG SER A 94 -10.953 -13.073 6.047 1.00 0.00 O ATOM 0 H SER A 94 -7.205 -13.320 6.730 1.00 0.00 H new ATOM 0 HA SER A 94 -9.640 -13.816 8.076 1.00 0.00 H new ATOM 0 HB2 SER A 94 -9.024 -12.363 5.953 1.00 0.00 H new ATOM 0 HB3 SER A 94 -9.318 -13.846 5.066 1.00 0.00 H new ATOM 0 HG SER A 94 -11.229 -12.549 5.266 1.00 0.00 H new ATOM 1469 N LEU A 95 -8.312 -16.354 6.604 1.00 0.00 N ATOM 1470 CA LEU A 95 -8.443 -17.784 6.349 1.00 0.00 C ATOM 1471 C LEU A 95 -8.025 -18.598 7.569 1.00 0.00 C ATOM 1472 O LEU A 95 -7.541 -19.722 7.441 1.00 0.00 O ATOM 1473 CB LEU A 95 -7.596 -18.186 5.139 1.00 0.00 C ATOM 1474 CG LEU A 95 -8.233 -17.898 3.779 1.00 0.00 C ATOM 1475 CD1 LEU A 95 -7.176 -17.469 2.773 1.00 0.00 C ATOM 1476 CD2 LEU A 95 -8.985 -19.121 3.275 1.00 0.00 C ATOM 0 H LEU A 95 -7.366 -15.990 6.491 1.00 0.00 H new ATOM 0 HA LEU A 95 -9.492 -17.994 6.138 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.641 -17.664 5.194 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.380 -19.253 5.204 1.00 0.00 H new ATOM 0 HG LEU A 95 -8.944 -17.080 3.898 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -7.649 -17.269 1.812 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.680 -16.566 3.129 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -6.440 -18.265 2.657 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -9.432 -18.899 2.306 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.293 -19.957 3.172 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -9.769 -19.384 3.985 1.00 0.00 H new ATOM 1488 N ARG A 96 -8.215 -18.023 8.753 1.00 0.00 N ATOM 1489 CA ARG A 96 -7.858 -18.697 9.997 1.00 0.00 C ATOM 1490 C ARG A 96 -8.235 -17.846 11.205 1.00 0.00 C ATOM 1491 O ARG A 96 -7.508 -17.803 12.198 1.00 0.00 O ATOM 1492 CB ARG A 96 -6.360 -19.006 10.023 1.00 0.00 C ATOM 1493 CG ARG A 96 -5.482 -17.764 10.003 1.00 0.00 C ATOM 1494 CD ARG A 96 -4.624 -17.664 11.254 1.00 0.00 C ATOM 1495 NE ARG A 96 -3.660 -18.757 11.346 1.00 0.00 N ATOM 1496 CZ ARG A 96 -3.045 -19.112 12.472 1.00 0.00 C ATOM 1497 NH1 ARG A 96 -3.292 -18.462 13.603 1.00 0.00 N ATOM 1498 NH2 ARG A 96 -2.182 -20.118 12.468 1.00 0.00 N ATOM 0 H ARG A 96 -8.614 -17.092 8.877 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.415 -19.632 10.047 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -6.133 -19.587 10.917 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -6.111 -19.631 9.165 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -4.840 -17.786 9.122 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -6.109 -16.876 9.919 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -4.093 -16.712 11.254 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -5.266 -17.672 12.135 1.00 0.00 H new ATOM 0 HE ARG A 96 -3.445 -19.280 10.497 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -3.955 -17.687 13.612 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -2.818 -18.737 14.463 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -1.989 -20.621 11.602 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -1.711 -20.389 13.331 1.00 0.00 H new ATOM 1512 N GLU A 97 -9.375 -17.170 11.114 1.00 0.00 N ATOM 1513 CA GLU A 97 -9.848 -16.320 12.201 1.00 0.00 C ATOM 1514 C GLU A 97 -8.843 -15.212 12.501 1.00 0.00 C ATOM 1515 O GLU A 97 -7.688 -15.278 12.080 1.00 0.00 O ATOM 1516 CB GLU A 97 -10.096 -17.154 13.459 1.00 0.00 C ATOM 1517 CG GLU A 97 -10.987 -16.465 14.479 1.00 0.00 C ATOM 1518 CD GLU A 97 -12.000 -17.408 15.100 1.00 0.00 C ATOM 1519 OE1 GLU A 97 -12.645 -18.166 14.346 1.00 0.00 O ATOM 1520 OE2 GLU A 97 -12.147 -17.388 16.340 1.00 0.00 O ATOM 0 H GLU A 97 -9.988 -17.194 10.299 1.00 0.00 H new ATOM 0 HA GLU A 97 -10.786 -15.861 11.888 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -10.551 -18.102 13.173 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -9.139 -17.388 13.924 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -10.367 -16.034 15.265 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -11.512 -15.639 13.999 1.00 0.00 H new ATOM 1527 N TRP A 98 -9.290 -14.196 13.231 1.00 0.00 N ATOM 1528 CA TRP A 98 -8.429 -13.075 13.588 1.00 0.00 C ATOM 1529 C TRP A 98 -9.065 -12.226 14.684 1.00 0.00 C ATOM 1530 O TRP A 98 -8.438 -12.074 15.754 1.00 0.00 O ATOM 1531 CB TRP A 98 -8.142 -12.213 12.356 1.00 0.00 C ATOM 1532 CG TRP A 98 -9.353 -11.509 11.821 1.00 0.00 C ATOM 1533 CD1 TRP A 98 -10.628 -11.994 11.768 1.00 0.00 C ATOM 1534 CD2 TRP A 98 -9.401 -10.192 11.261 1.00 0.00 C ATOM 1535 NE1 TRP A 98 -11.466 -11.059 11.210 1.00 0.00 N ATOM 1536 CE2 TRP A 98 -10.736 -9.943 10.891 1.00 0.00 C ATOM 1537 CE3 TRP A 98 -8.444 -9.197 11.038 1.00 0.00 C ATOM 1538 CZ2 TRP A 98 -11.137 -8.743 10.311 1.00 0.00 C ATOM 1539 CZ3 TRP A 98 -8.844 -8.006 10.462 1.00 0.00 C ATOM 1540 CH2 TRP A 98 -10.180 -7.787 10.105 1.00 0.00 C ATOM 1541 OXT TRP A 98 -10.185 -11.718 14.464 1.00 0.00 O ATOM 0 H TRP A 98 -10.243 -14.126 13.587 1.00 0.00 H new ATOM 0 HA TRP A 98 -7.490 -13.477 13.967 1.00 0.00 H new ATOM 0 HB2 TRP A 98 -7.384 -11.472 12.610 1.00 0.00 H new ATOM 0 HB3 TRP A 98 -7.722 -12.843 11.572 1.00 0.00 H new ATOM 0 HD1 TRP A 98 -10.933 -12.970 12.114 1.00 0.00 H new ATOM 0 HE1 TRP A 98 -12.468 -11.176 11.058 1.00 0.00 H new ATOM 0 HE3 TRP A 98 -7.411 -9.356 11.311 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -12.167 -8.573 10.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -8.113 -7.231 10.284 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -10.461 -6.845 9.658 1.00 0.00 H new TER 1552 TRP A 98