USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 830 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 12 SER OG : rot 180:sc= 1.07 USER MOD Set 1.2: A 22 THR OG1 : rot -88:sc= 1.19 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 175:sc= -0.335 (180deg=-0.468) USER MOD Single : A 2 MET CE :methyl -167:sc= -0.0298 (180deg=-0.281) USER MOD Single : A 6 LYS NZ :NH3+ -166:sc= -0.062 (180deg=-0.303) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl 170:sc= -0.921 (180deg=-1.13) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc=-0.000103 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 170:sc= 0.956 (180deg=0.795) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -161:sc= 1.25 (180deg=1.11) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 59 THR OG1 : rot 136:sc= 0.433 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0.377 X(o=0.38,f=-0.074) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HE2:sc= -1.02! C(o=-1!,f=-6.8!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.146) USER MOD Single : A 85 THR OG1 : rot -90:sc= 1.28 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0352) USER MOD Single : A 90 TYR OH : rot 180:sc= -1.17 USER MOD Single : A 92 GLN : amide:sc= -2.06! K(o=-2.1!,f=-0.81) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=-0.0023) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.00017) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HE2:sc= 1.23 K(o=1.2,f=-4.7!) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HD1:sc= -0.0413 X(o=-0.041,f=-0.086) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.820 22.043 -18.098 1.00 0.00 N ATOM 2 CA MET A 1 16.126 21.262 -19.148 1.00 0.00 C ATOM 3 C MET A 1 16.840 19.941 -19.440 1.00 0.00 C ATOM 4 O MET A 1 16.319 19.101 -20.172 1.00 0.00 O ATOM 5 CB MET A 1 15.983 22.097 -20.432 1.00 0.00 C ATOM 6 CG MET A 1 17.269 22.765 -20.906 1.00 0.00 C ATOM 7 SD MET A 1 18.486 21.606 -21.558 1.00 0.00 S ATOM 8 CE MET A 1 19.808 22.727 -21.998 1.00 0.00 C ATOM 0 H1 MET A 1 16.355 22.967 -17.988 1.00 0.00 H new ATOM 0 H2 MET A 1 16.779 21.526 -17.197 1.00 0.00 H new ATOM 0 H3 MET A 1 17.813 22.185 -18.371 1.00 0.00 H new ATOM 0 HA MET A 1 15.132 21.018 -18.774 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.610 21.453 -21.228 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.230 22.867 -20.266 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.026 23.496 -21.677 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.711 23.314 -20.075 1.00 0.00 H new ATOM 0 HE1 MET A 1 20.640 22.162 -22.418 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.447 23.444 -22.736 1.00 0.00 H new ATOM 0 HE3 MET A 1 20.144 23.260 -21.109 1.00 0.00 H new ATOM 20 N MET A 2 18.023 19.750 -18.855 1.00 0.00 N ATOM 21 CA MET A 2 18.815 18.548 -19.113 1.00 0.00 C ATOM 22 C MET A 2 18.210 17.327 -18.422 1.00 0.00 C ATOM 23 O MET A 2 18.206 16.226 -18.973 1.00 0.00 O ATOM 24 CB MET A 2 20.259 18.746 -18.644 1.00 0.00 C ATOM 25 CG MET A 2 21.141 17.525 -18.861 1.00 0.00 C ATOM 26 SD MET A 2 22.788 17.706 -18.147 1.00 0.00 S ATOM 27 CE MET A 2 23.443 19.036 -19.150 1.00 0.00 C ATOM 0 H MET A 2 18.451 20.408 -18.204 1.00 0.00 H new ATOM 0 HA MET A 2 18.809 18.373 -20.189 1.00 0.00 H new ATOM 0 HB2 MET A 2 20.691 19.595 -19.173 1.00 0.00 H new ATOM 0 HB3 MET A 2 20.257 18.999 -17.584 1.00 0.00 H new ATOM 0 HG2 MET A 2 20.656 16.652 -18.424 1.00 0.00 H new ATOM 0 HG3 MET A 2 21.234 17.337 -19.931 1.00 0.00 H new ATOM 0 HE1 MET A 2 24.519 19.113 -18.995 1.00 0.00 H new ATOM 0 HE2 MET A 2 23.242 18.832 -20.202 1.00 0.00 H new ATOM 0 HE3 MET A 2 22.968 19.975 -18.865 1.00 0.00 H new ATOM 37 N PHE A 3 17.708 17.531 -17.215 1.00 0.00 N ATOM 38 CA PHE A 3 17.117 16.452 -16.436 1.00 0.00 C ATOM 39 C PHE A 3 15.857 16.936 -15.732 1.00 0.00 C ATOM 40 O PHE A 3 15.788 18.085 -15.291 1.00 0.00 O ATOM 41 CB PHE A 3 18.129 15.901 -15.421 1.00 0.00 C ATOM 42 CG PHE A 3 18.748 16.948 -14.530 1.00 0.00 C ATOM 43 CD1 PHE A 3 19.906 17.604 -14.917 1.00 0.00 C ATOM 44 CD2 PHE A 3 18.178 17.270 -13.307 1.00 0.00 C ATOM 45 CE1 PHE A 3 20.483 18.560 -14.103 1.00 0.00 C ATOM 46 CE2 PHE A 3 18.751 18.226 -12.492 1.00 0.00 C ATOM 47 CZ PHE A 3 19.904 18.871 -12.890 1.00 0.00 C ATOM 0 H PHE A 3 17.698 18.439 -16.750 1.00 0.00 H new ATOM 0 HA PHE A 3 16.843 15.644 -17.115 1.00 0.00 H new ATOM 0 HB2 PHE A 3 17.632 15.158 -14.797 1.00 0.00 H new ATOM 0 HB3 PHE A 3 18.923 15.385 -15.961 1.00 0.00 H new ATOM 0 HD1 PHE A 3 20.363 17.365 -15.866 1.00 0.00 H new ATOM 0 HD2 PHE A 3 17.276 16.768 -12.989 1.00 0.00 H new ATOM 0 HE1 PHE A 3 21.386 19.063 -14.416 1.00 0.00 H new ATOM 0 HE2 PHE A 3 18.297 18.469 -11.543 1.00 0.00 H new ATOM 0 HZ PHE A 3 20.353 19.619 -12.253 1.00 0.00 H new ATOM 57 N LEU A 4 14.861 16.065 -15.645 1.00 0.00 N ATOM 58 CA LEU A 4 13.605 16.411 -14.999 1.00 0.00 C ATOM 59 C LEU A 4 12.862 15.159 -14.540 1.00 0.00 C ATOM 60 O LEU A 4 12.657 14.951 -13.343 1.00 0.00 O ATOM 61 CB LEU A 4 12.717 17.221 -15.952 1.00 0.00 C ATOM 62 CG LEU A 4 11.374 17.665 -15.369 1.00 0.00 C ATOM 63 CD1 LEU A 4 11.578 18.623 -14.205 1.00 0.00 C ATOM 64 CD2 LEU A 4 10.518 18.307 -16.448 1.00 0.00 C ATOM 0 H LEU A 4 14.899 15.115 -16.014 1.00 0.00 H new ATOM 0 HA LEU A 4 13.836 17.018 -14.123 1.00 0.00 H new ATOM 0 HB2 LEU A 4 13.267 18.106 -16.272 1.00 0.00 H new ATOM 0 HB3 LEU A 4 12.528 16.623 -16.844 1.00 0.00 H new ATOM 0 HG LEU A 4 10.855 16.784 -14.992 1.00 0.00 H new ATOM 0 HD11 LEU A 4 10.609 18.924 -13.808 1.00 0.00 H new ATOM 0 HD12 LEU A 4 12.153 18.128 -13.423 1.00 0.00 H new ATOM 0 HD13 LEU A 4 12.119 19.504 -14.550 1.00 0.00 H new ATOM 0 HD21 LEU A 4 9.565 18.618 -16.019 1.00 0.00 H new ATOM 0 HD22 LEU A 4 11.035 19.177 -16.853 1.00 0.00 H new ATOM 0 HD23 LEU A 4 10.339 17.587 -17.247 1.00 0.00 H new ATOM 76 N ARG A 5 12.486 14.311 -15.490 1.00 0.00 N ATOM 77 CA ARG A 5 11.635 13.162 -15.193 1.00 0.00 C ATOM 78 C ARG A 5 12.445 12.011 -14.605 1.00 0.00 C ATOM 79 O ARG A 5 12.760 11.046 -15.301 1.00 0.00 O ATOM 80 CB ARG A 5 10.896 12.700 -16.453 1.00 0.00 C ATOM 81 CG ARG A 5 10.142 13.816 -17.162 1.00 0.00 C ATOM 82 CD ARG A 5 9.317 13.289 -18.325 1.00 0.00 C ATOM 83 NE ARG A 5 8.798 14.374 -19.157 1.00 0.00 N ATOM 84 CZ ARG A 5 7.557 14.435 -19.631 1.00 0.00 C ATOM 85 NH1 ARG A 5 6.676 13.485 -19.342 1.00 0.00 N ATOM 86 NH2 ARG A 5 7.196 15.455 -20.398 1.00 0.00 N ATOM 0 H ARG A 5 12.755 14.396 -16.470 1.00 0.00 H new ATOM 0 HA ARG A 5 10.902 13.475 -14.450 1.00 0.00 H new ATOM 0 HB2 ARG A 5 11.615 12.262 -17.145 1.00 0.00 H new ATOM 0 HB3 ARG A 5 10.193 11.912 -16.183 1.00 0.00 H new ATOM 0 HG2 ARG A 5 9.488 14.321 -16.452 1.00 0.00 H new ATOM 0 HG3 ARG A 5 10.851 14.559 -17.527 1.00 0.00 H new ATOM 0 HD2 ARG A 5 9.930 12.625 -18.934 1.00 0.00 H new ATOM 0 HD3 ARG A 5 8.487 12.695 -17.942 1.00 0.00 H new ATOM 0 HE ARG A 5 9.433 15.138 -19.390 1.00 0.00 H new ATOM 0 HH11 ARG A 5 6.949 12.699 -18.751 1.00 0.00 H new ATOM 0 HH12 ARG A 5 5.726 13.541 -19.710 1.00 0.00 H new ATOM 0 HH21 ARG A 5 7.869 16.188 -20.622 1.00 0.00 H new ATOM 0 HH22 ARG A 5 6.245 15.506 -20.764 1.00 0.00 H new ATOM 100 N LYS A 6 12.786 12.146 -13.323 1.00 0.00 N ATOM 101 CA LYS A 6 13.549 11.138 -12.580 1.00 0.00 C ATOM 102 C LYS A 6 13.906 11.686 -11.205 1.00 0.00 C ATOM 103 O LYS A 6 13.985 10.948 -10.222 1.00 0.00 O ATOM 104 CB LYS A 6 14.843 10.758 -13.316 1.00 0.00 C ATOM 105 CG LYS A 6 15.619 9.637 -12.638 1.00 0.00 C ATOM 106 CD LYS A 6 16.971 9.405 -13.293 1.00 0.00 C ATOM 107 CE LYS A 6 17.734 8.279 -12.607 1.00 0.00 C ATOM 108 NZ LYS A 6 17.946 8.544 -11.160 1.00 0.00 N ATOM 0 H LYS A 6 12.539 12.964 -12.765 1.00 0.00 H new ATOM 0 HA LYS A 6 12.929 10.246 -12.488 1.00 0.00 H new ATOM 0 HB2 LYS A 6 14.597 10.455 -14.334 1.00 0.00 H new ATOM 0 HB3 LYS A 6 15.482 11.638 -13.390 1.00 0.00 H new ATOM 0 HG2 LYS A 6 15.763 9.881 -11.585 1.00 0.00 H new ATOM 0 HG3 LYS A 6 15.035 8.717 -12.676 1.00 0.00 H new ATOM 0 HD2 LYS A 6 16.830 9.162 -14.346 1.00 0.00 H new ATOM 0 HD3 LYS A 6 17.559 10.322 -13.253 1.00 0.00 H new ATOM 0 HE2 LYS A 6 17.185 7.345 -12.727 1.00 0.00 H new ATOM 0 HE3 LYS A 6 18.699 8.146 -13.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 18.660 7.886 -10.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 18.276 9.522 -11.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 17.051 8.410 -10.648 1.00 0.00 H new ATOM 122 N VAL A 7 14.112 12.993 -11.150 1.00 0.00 N ATOM 123 CA VAL A 7 14.607 13.651 -9.950 1.00 0.00 C ATOM 124 C VAL A 7 13.836 14.928 -9.674 1.00 0.00 C ATOM 125 O VAL A 7 12.833 15.200 -10.335 1.00 0.00 O ATOM 126 CB VAL A 7 16.097 14.005 -10.096 1.00 0.00 C ATOM 127 CG1 VAL A 7 16.963 12.771 -9.931 1.00 0.00 C ATOM 128 CG2 VAL A 7 16.336 14.658 -11.449 1.00 0.00 C ATOM 0 H VAL A 7 13.942 13.625 -11.932 1.00 0.00 H new ATOM 0 HA VAL A 7 14.472 12.955 -9.122 1.00 0.00 H new ATOM 0 HB VAL A 7 16.372 14.709 -9.311 1.00 0.00 H new ATOM 0 HG11 VAL A 7 18.012 13.046 -10.038 1.00 0.00 H new ATOM 0 HG12 VAL A 7 16.800 12.341 -8.943 1.00 0.00 H new ATOM 0 HG13 VAL A 7 16.700 12.038 -10.693 1.00 0.00 H new ATOM 0 HG21 VAL A 7 17.392 14.908 -11.551 1.00 0.00 H new ATOM 0 HG22 VAL A 7 16.049 13.968 -12.242 1.00 0.00 H new ATOM 0 HG23 VAL A 7 15.739 15.567 -11.525 1.00 0.00 H new ATOM 138 N GLU A 8 14.331 15.700 -8.700 1.00 0.00 N ATOM 139 CA GLU A 8 13.745 16.985 -8.316 1.00 0.00 C ATOM 140 C GLU A 8 12.375 16.790 -7.678 1.00 0.00 C ATOM 141 O GLU A 8 12.201 16.930 -6.466 1.00 0.00 O ATOM 142 CB GLU A 8 13.632 17.921 -9.527 1.00 0.00 C ATOM 143 CG GLU A 8 14.969 18.298 -10.141 1.00 0.00 C ATOM 144 CD GLU A 8 15.850 19.067 -9.181 1.00 0.00 C ATOM 145 OE1 GLU A 8 15.555 20.251 -8.920 1.00 0.00 O ATOM 146 OE2 GLU A 8 16.840 18.493 -8.690 1.00 0.00 O ATOM 0 H GLU A 8 15.155 15.447 -8.154 1.00 0.00 H new ATOM 0 HA GLU A 8 14.408 17.444 -7.583 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.016 17.442 -10.288 1.00 0.00 H new ATOM 0 HB3 GLU A 8 13.113 18.830 -9.224 1.00 0.00 H new ATOM 0 HG2 GLU A 8 15.487 17.393 -10.460 1.00 0.00 H new ATOM 0 HG3 GLU A 8 14.799 18.899 -11.034 1.00 0.00 H new ATOM 153 N GLY A 9 11.416 16.455 -8.511 1.00 0.00 N ATOM 154 CA GLY A 9 10.076 16.189 -8.062 1.00 0.00 C ATOM 155 C GLY A 9 9.298 15.448 -9.121 1.00 0.00 C ATOM 156 O GLY A 9 8.435 16.031 -9.776 1.00 0.00 O ATOM 0 H GLY A 9 11.547 16.360 -9.518 1.00 0.00 H new ATOM 0 HA2 GLY A 9 10.104 15.600 -7.145 1.00 0.00 H new ATOM 0 HA3 GLY A 9 9.574 17.127 -7.823 1.00 0.00 H new ATOM 160 N PRO A 10 9.599 14.155 -9.333 1.00 0.00 N ATOM 161 CA PRO A 10 8.934 13.357 -10.361 1.00 0.00 C ATOM 162 C PRO A 10 7.447 13.202 -10.056 1.00 0.00 C ATOM 163 O PRO A 10 7.053 12.991 -8.904 1.00 0.00 O ATOM 164 CB PRO A 10 9.676 12.016 -10.314 1.00 0.00 C ATOM 165 CG PRO A 10 10.237 11.947 -8.941 1.00 0.00 C ATOM 166 CD PRO A 10 10.585 13.363 -8.577 1.00 0.00 C ATOM 0 HA PRO A 10 8.972 13.813 -11.350 1.00 0.00 H new ATOM 0 HB2 PRO A 10 9.001 11.182 -10.509 1.00 0.00 H new ATOM 0 HB3 PRO A 10 10.463 11.972 -11.067 1.00 0.00 H new ATOM 0 HG2 PRO A 10 9.513 11.529 -8.242 1.00 0.00 H new ATOM 0 HG3 PRO A 10 11.118 11.306 -8.909 1.00 0.00 H new ATOM 0 HD2 PRO A 10 10.503 13.535 -7.504 1.00 0.00 H new ATOM 0 HD3 PRO A 10 11.607 13.613 -8.862 1.00 0.00 H new ATOM 174 N ARG A 11 6.627 13.335 -11.088 1.00 0.00 N ATOM 175 CA ARG A 11 5.180 13.382 -10.920 1.00 0.00 C ATOM 176 C ARG A 11 4.631 12.074 -10.359 1.00 0.00 C ATOM 177 O ARG A 11 3.929 12.066 -9.343 1.00 0.00 O ATOM 178 CB ARG A 11 4.504 13.696 -12.257 1.00 0.00 C ATOM 179 CG ARG A 11 3.026 14.003 -12.114 1.00 0.00 C ATOM 180 CD ARG A 11 2.364 14.251 -13.458 1.00 0.00 C ATOM 181 NE ARG A 11 0.987 14.705 -13.294 1.00 0.00 N ATOM 182 CZ ARG A 11 -0.004 14.426 -14.138 1.00 0.00 C ATOM 183 NH1 ARG A 11 0.206 13.632 -15.185 1.00 0.00 N ATOM 184 NH2 ARG A 11 -1.219 14.913 -13.917 1.00 0.00 N ATOM 0 H ARG A 11 6.940 13.413 -12.056 1.00 0.00 H new ATOM 0 HA ARG A 11 4.959 14.173 -10.203 1.00 0.00 H new ATOM 0 HB2 ARG A 11 5.003 14.547 -12.720 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.630 12.848 -12.930 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.530 13.172 -11.613 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.898 14.880 -11.479 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.932 14.998 -14.013 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.379 13.335 -14.048 1.00 0.00 H new ATOM 0 HE ARG A 11 0.769 15.275 -12.477 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.131 13.233 -15.345 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.558 13.423 -15.828 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.392 15.500 -13.101 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -1.979 14.700 -14.563 1.00 0.00 H new ATOM 198 N SER A 12 4.967 10.975 -11.008 1.00 0.00 N ATOM 199 CA SER A 12 4.393 9.682 -10.672 1.00 0.00 C ATOM 200 C SER A 12 5.455 8.729 -10.133 1.00 0.00 C ATOM 201 O SER A 12 6.641 8.880 -10.430 1.00 0.00 O ATOM 202 CB SER A 12 3.752 9.082 -11.921 1.00 0.00 C ATOM 203 OG SER A 12 2.903 10.025 -12.557 1.00 0.00 O ATOM 0 H SER A 12 5.638 10.951 -11.776 1.00 0.00 H new ATOM 0 HA SER A 12 3.643 9.826 -9.894 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.529 8.760 -12.615 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.179 8.195 -11.650 1.00 0.00 H new ATOM 0 HG SER A 12 2.504 9.620 -13.355 1.00 0.00 H new ATOM 209 N VAL A 13 5.024 7.755 -9.340 1.00 0.00 N ATOM 210 CA VAL A 13 5.918 6.706 -8.865 1.00 0.00 C ATOM 211 C VAL A 13 5.822 5.485 -9.769 1.00 0.00 C ATOM 212 O VAL A 13 4.725 5.058 -10.141 1.00 0.00 O ATOM 213 CB VAL A 13 5.619 6.284 -7.403 1.00 0.00 C ATOM 214 CG1 VAL A 13 6.032 7.369 -6.423 1.00 0.00 C ATOM 215 CG2 VAL A 13 4.147 5.946 -7.221 1.00 0.00 C ATOM 0 H VAL A 13 4.062 7.670 -9.013 1.00 0.00 H new ATOM 0 HA VAL A 13 6.927 7.118 -8.892 1.00 0.00 H new ATOM 0 HB VAL A 13 6.207 5.390 -7.195 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.810 7.045 -5.406 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.101 7.558 -6.519 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.481 8.284 -6.640 1.00 0.00 H new ATOM 0 HG21 VAL A 13 3.966 5.654 -6.187 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.541 6.819 -7.463 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.878 5.123 -7.883 1.00 0.00 H new ATOM 225 N THR A 14 6.967 4.948 -10.151 1.00 0.00 N ATOM 226 CA THR A 14 6.999 3.725 -10.930 1.00 0.00 C ATOM 227 C THR A 14 7.122 2.528 -10.000 1.00 0.00 C ATOM 228 O THR A 14 8.202 2.221 -9.496 1.00 0.00 O ATOM 229 CB THR A 14 8.160 3.717 -11.942 1.00 0.00 C ATOM 230 OG1 THR A 14 8.108 4.900 -12.754 1.00 0.00 O ATOM 231 CG2 THR A 14 8.089 2.484 -12.832 1.00 0.00 C ATOM 0 H THR A 14 7.884 5.339 -9.935 1.00 0.00 H new ATOM 0 HA THR A 14 6.068 3.667 -11.493 1.00 0.00 H new ATOM 0 HB THR A 14 9.099 3.695 -11.389 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.850 4.890 -13.394 1.00 0.00 H new ATOM 0 HG21 THR A 14 8.918 2.498 -13.540 1.00 0.00 H new ATOM 0 HG22 THR A 14 8.152 1.587 -12.216 1.00 0.00 H new ATOM 0 HG23 THR A 14 7.146 2.483 -13.378 1.00 0.00 H new ATOM 239 N LEU A 15 6.001 1.876 -9.751 1.00 0.00 N ATOM 240 CA LEU A 15 5.964 0.743 -8.842 1.00 0.00 C ATOM 241 C LEU A 15 6.475 -0.515 -9.543 1.00 0.00 C ATOM 242 O LEU A 15 6.460 -0.588 -10.774 1.00 0.00 O ATOM 243 CB LEU A 15 4.537 0.550 -8.321 1.00 0.00 C ATOM 244 CG LEU A 15 3.968 1.761 -7.573 1.00 0.00 C ATOM 245 CD1 LEU A 15 2.545 1.497 -7.118 1.00 0.00 C ATOM 246 CD2 LEU A 15 4.847 2.123 -6.385 1.00 0.00 C ATOM 0 H LEU A 15 5.100 2.112 -10.167 1.00 0.00 H new ATOM 0 HA LEU A 15 6.618 0.937 -7.992 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.884 0.318 -9.162 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.519 -0.314 -7.656 1.00 0.00 H new ATOM 0 HG LEU A 15 3.955 2.605 -8.262 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.164 2.371 -6.590 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.917 1.295 -7.986 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.530 0.635 -6.451 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.424 2.985 -5.869 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.897 1.278 -5.699 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.850 2.366 -6.735 1.00 0.00 H new ATOM 258 N PRO A 16 6.931 -1.522 -8.767 1.00 0.00 N ATOM 259 CA PRO A 16 7.541 -2.752 -9.310 1.00 0.00 C ATOM 260 C PRO A 16 6.594 -3.566 -10.193 1.00 0.00 C ATOM 261 O PRO A 16 6.992 -4.574 -10.776 1.00 0.00 O ATOM 262 CB PRO A 16 7.921 -3.556 -8.060 1.00 0.00 C ATOM 263 CG PRO A 16 7.953 -2.559 -6.953 1.00 0.00 C ATOM 264 CD PRO A 16 6.911 -1.536 -7.295 1.00 0.00 C ATOM 0 HA PRO A 16 8.383 -2.512 -9.959 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.194 -4.343 -7.861 1.00 0.00 H new ATOM 0 HB3 PRO A 16 8.890 -4.041 -8.182 1.00 0.00 H new ATOM 0 HG2 PRO A 16 7.737 -3.032 -5.995 1.00 0.00 H new ATOM 0 HG3 PRO A 16 8.938 -2.100 -6.868 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.931 -1.813 -6.907 1.00 0.00 H new ATOM 0 HD3 PRO A 16 7.153 -0.558 -6.879 1.00 0.00 H new ATOM 272 N ASP A 17 5.350 -3.125 -10.296 1.00 0.00 N ATOM 273 CA ASP A 17 4.368 -3.789 -11.144 1.00 0.00 C ATOM 274 C ASP A 17 4.408 -3.221 -12.555 1.00 0.00 C ATOM 275 O ASP A 17 3.682 -3.671 -13.441 1.00 0.00 O ATOM 276 CB ASP A 17 2.960 -3.634 -10.564 1.00 0.00 C ATOM 277 CG ASP A 17 2.727 -4.511 -9.350 1.00 0.00 C ATOM 278 OD1 ASP A 17 3.055 -4.081 -8.229 1.00 0.00 O ATOM 279 OD2 ASP A 17 2.202 -5.635 -9.516 1.00 0.00 O ATOM 0 H ASP A 17 4.994 -2.307 -9.801 1.00 0.00 H new ATOM 0 HA ASP A 17 4.619 -4.849 -11.182 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.797 -2.592 -10.291 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.226 -3.881 -11.331 1.00 0.00 H new ATOM 284 N GLY A 18 5.260 -2.223 -12.760 1.00 0.00 N ATOM 285 CA GLY A 18 5.386 -1.605 -14.065 1.00 0.00 C ATOM 286 C GLY A 18 4.300 -0.584 -14.317 1.00 0.00 C ATOM 287 O GLY A 18 3.922 -0.333 -15.460 1.00 0.00 O ATOM 0 H GLY A 18 5.868 -1.830 -12.041 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.361 -1.124 -14.146 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.346 -2.375 -14.836 1.00 0.00 H new ATOM 291 N SER A 19 3.795 0.003 -13.245 1.00 0.00 N ATOM 292 CA SER A 19 2.726 0.980 -13.343 1.00 0.00 C ATOM 293 C SER A 19 3.176 2.324 -12.785 1.00 0.00 C ATOM 294 O SER A 19 3.788 2.386 -11.715 1.00 0.00 O ATOM 295 CB SER A 19 1.501 0.490 -12.568 1.00 0.00 C ATOM 296 OG SER A 19 1.150 -0.836 -12.932 1.00 0.00 O ATOM 0 H SER A 19 4.111 -0.182 -12.293 1.00 0.00 H new ATOM 0 HA SER A 19 2.467 1.104 -14.395 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.705 0.532 -11.498 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.659 1.155 -12.758 1.00 0.00 H new ATOM 0 HG SER A 19 0.365 -1.119 -12.418 1.00 0.00 H new ATOM 302 N ILE A 20 2.881 3.394 -13.510 1.00 0.00 N ATOM 303 CA ILE A 20 3.155 4.734 -13.018 1.00 0.00 C ATOM 304 C ILE A 20 1.913 5.305 -12.351 1.00 0.00 C ATOM 305 O ILE A 20 0.955 5.709 -13.013 1.00 0.00 O ATOM 306 CB ILE A 20 3.647 5.692 -14.129 1.00 0.00 C ATOM 307 CG1 ILE A 20 2.741 5.624 -15.364 1.00 0.00 C ATOM 308 CG2 ILE A 20 5.083 5.369 -14.499 1.00 0.00 C ATOM 309 CD1 ILE A 20 3.132 6.588 -16.464 1.00 0.00 C ATOM 0 H ILE A 20 2.454 3.360 -14.436 1.00 0.00 H new ATOM 0 HA ILE A 20 3.963 4.649 -12.291 1.00 0.00 H new ATOM 0 HB ILE A 20 3.604 6.711 -13.744 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.759 4.609 -15.760 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.714 5.830 -15.061 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.419 6.049 -15.282 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.719 5.483 -13.621 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.144 4.342 -14.860 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.445 6.481 -17.303 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.086 7.609 -16.086 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.147 6.369 -16.796 1.00 0.00 H new ATOM 321 N MET A 21 1.920 5.306 -11.032 1.00 0.00 N ATOM 322 CA MET A 21 0.779 5.787 -10.277 1.00 0.00 C ATOM 323 C MET A 21 1.058 7.167 -9.709 1.00 0.00 C ATOM 324 O MET A 21 2.117 7.416 -9.130 1.00 0.00 O ATOM 325 CB MET A 21 0.409 4.803 -9.163 1.00 0.00 C ATOM 326 CG MET A 21 -0.153 3.491 -9.683 1.00 0.00 C ATOM 327 SD MET A 21 -0.644 2.365 -8.363 1.00 0.00 S ATOM 328 CE MET A 21 -1.892 3.340 -7.525 1.00 0.00 C ATOM 0 H MET A 21 2.701 4.980 -10.462 1.00 0.00 H new ATOM 0 HA MET A 21 -0.071 5.863 -10.955 1.00 0.00 H new ATOM 0 HB2 MET A 21 1.294 4.598 -8.560 1.00 0.00 H new ATOM 0 HB3 MET A 21 -0.324 5.269 -8.505 1.00 0.00 H new ATOM 0 HG2 MET A 21 -1.015 3.697 -10.317 1.00 0.00 H new ATOM 0 HG3 MET A 21 0.595 3.004 -10.309 1.00 0.00 H new ATOM 0 HE1 MET A 21 -2.414 2.717 -6.799 1.00 0.00 H new ATOM 0 HE2 MET A 21 -1.417 4.175 -7.011 1.00 0.00 H new ATOM 0 HE3 MET A 21 -2.606 3.722 -8.255 1.00 0.00 H new ATOM 338 N THR A 22 0.118 8.064 -9.910 1.00 0.00 N ATOM 339 CA THR A 22 0.221 9.411 -9.403 1.00 0.00 C ATOM 340 C THR A 22 -0.718 9.560 -8.205 1.00 0.00 C ATOM 341 O THR A 22 -1.462 8.630 -7.882 1.00 0.00 O ATOM 342 CB THR A 22 -0.146 10.418 -10.517 1.00 0.00 C ATOM 343 OG1 THR A 22 0.354 9.944 -11.775 1.00 0.00 O ATOM 344 CG2 THR A 22 0.443 11.795 -10.245 1.00 0.00 C ATOM 0 H THR A 22 -0.739 7.878 -10.430 1.00 0.00 H new ATOM 0 HA THR A 22 1.243 9.616 -9.083 1.00 0.00 H new ATOM 0 HB THR A 22 -1.232 10.504 -10.542 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.274 10.257 -11.900 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.164 12.476 -11.049 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.058 12.175 -9.298 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.529 11.722 -10.192 1.00 0.00 H new ATOM 352 N ARG A 23 -0.682 10.710 -7.545 1.00 0.00 N ATOM 353 CA ARG A 23 -1.553 10.980 -6.402 1.00 0.00 C ATOM 354 C ARG A 23 -3.035 10.864 -6.781 1.00 0.00 C ATOM 355 O ARG A 23 -3.898 10.724 -5.915 1.00 0.00 O ATOM 356 CB ARG A 23 -1.247 12.375 -5.850 1.00 0.00 C ATOM 357 CG ARG A 23 -1.929 12.684 -4.527 1.00 0.00 C ATOM 358 CD ARG A 23 -1.427 13.992 -3.937 1.00 0.00 C ATOM 359 NE ARG A 23 0.026 13.984 -3.767 1.00 0.00 N ATOM 360 CZ ARG A 23 0.638 13.843 -2.594 1.00 0.00 C ATOM 361 NH1 ARG A 23 -0.066 13.739 -1.475 1.00 0.00 N ATOM 362 NH2 ARG A 23 1.962 13.813 -2.544 1.00 0.00 N ATOM 0 H ARG A 23 -0.054 11.478 -7.782 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.357 10.232 -5.634 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.169 12.475 -5.722 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.551 13.120 -6.586 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.007 12.740 -4.676 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.747 11.872 -3.823 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.713 14.819 -4.587 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.906 14.164 -2.973 1.00 0.00 H new ATOM 0 HE ARG A 23 0.606 14.093 -4.599 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.085 13.767 -1.509 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.412 13.631 -0.580 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.507 13.898 -3.402 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.436 13.705 -1.647 1.00 0.00 H new ATOM 376 N ALA A 24 -3.322 10.908 -8.077 1.00 0.00 N ATOM 377 CA ALA A 24 -4.694 10.822 -8.561 1.00 0.00 C ATOM 378 C ALA A 24 -5.092 9.379 -8.876 1.00 0.00 C ATOM 379 O ALA A 24 -6.237 9.107 -9.234 1.00 0.00 O ATOM 380 CB ALA A 24 -4.871 11.704 -9.789 1.00 0.00 C ATOM 0 H ALA A 24 -2.621 11.003 -8.812 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.352 11.177 -7.768 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.899 11.633 -10.143 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.648 12.739 -9.529 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.193 11.373 -10.576 1.00 0.00 H new ATOM 386 N ASP A 25 -4.146 8.458 -8.734 1.00 0.00 N ATOM 387 CA ASP A 25 -4.403 7.047 -9.018 1.00 0.00 C ATOM 388 C ASP A 25 -4.682 6.287 -7.733 1.00 0.00 C ATOM 389 O ASP A 25 -4.922 5.078 -7.746 1.00 0.00 O ATOM 390 CB ASP A 25 -3.213 6.410 -9.740 1.00 0.00 C ATOM 391 CG ASP A 25 -2.966 7.012 -11.107 1.00 0.00 C ATOM 392 OD1 ASP A 25 -2.255 8.031 -11.190 1.00 0.00 O ATOM 393 OD2 ASP A 25 -3.467 6.463 -12.109 1.00 0.00 O ATOM 0 H ASP A 25 -3.195 8.660 -8.425 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.278 6.992 -9.665 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.318 6.527 -9.129 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.389 5.339 -9.846 1.00 0.00 H new ATOM 398 N LEU A 26 -4.645 7.004 -6.621 1.00 0.00 N ATOM 399 CA LEU A 26 -4.875 6.405 -5.318 1.00 0.00 C ATOM 400 C LEU A 26 -6.316 6.639 -4.875 1.00 0.00 C ATOM 401 O LEU A 26 -6.816 7.759 -4.964 1.00 0.00 O ATOM 402 CB LEU A 26 -3.917 7.007 -4.285 1.00 0.00 C ATOM 403 CG LEU A 26 -2.426 6.888 -4.615 1.00 0.00 C ATOM 404 CD1 LEU A 26 -1.604 7.686 -3.619 1.00 0.00 C ATOM 405 CD2 LEU A 26 -1.992 5.431 -4.617 1.00 0.00 C ATOM 0 H LEU A 26 -4.457 8.006 -6.596 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.695 5.333 -5.393 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.160 8.062 -4.162 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.098 6.525 -3.324 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.258 7.295 -5.612 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.546 7.594 -3.864 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.897 8.735 -3.663 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.778 7.303 -2.614 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.930 5.368 -4.854 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.171 4.997 -3.633 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.564 4.882 -5.365 1.00 0.00 H new ATOM 417 N PRO A 27 -7.015 5.584 -4.415 1.00 0.00 N ATOM 418 CA PRO A 27 -8.344 5.728 -3.818 1.00 0.00 C ATOM 419 C PRO A 27 -8.281 6.596 -2.563 1.00 0.00 C ATOM 420 O PRO A 27 -7.739 6.166 -1.549 1.00 0.00 O ATOM 421 CB PRO A 27 -8.748 4.291 -3.452 1.00 0.00 C ATOM 422 CG PRO A 27 -7.849 3.410 -4.251 1.00 0.00 C ATOM 423 CD PRO A 27 -6.570 4.181 -4.445 1.00 0.00 C ATOM 0 HA PRO A 27 -9.053 6.209 -4.492 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.628 4.109 -2.384 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.795 4.104 -3.691 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.662 2.470 -3.731 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.302 3.159 -5.210 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -5.849 3.970 -3.655 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.089 3.931 -5.391 1.00 0.00 H new ATOM 431 N PRO A 28 -8.827 7.828 -2.618 1.00 0.00 N ATOM 432 CA PRO A 28 -8.721 8.798 -1.515 1.00 0.00 C ATOM 433 C PRO A 28 -9.261 8.251 -0.200 1.00 0.00 C ATOM 434 O PRO A 28 -8.706 8.508 0.870 1.00 0.00 O ATOM 435 CB PRO A 28 -9.579 9.975 -1.990 1.00 0.00 C ATOM 436 CG PRO A 28 -9.619 9.847 -3.475 1.00 0.00 C ATOM 437 CD PRO A 28 -9.593 8.373 -3.756 1.00 0.00 C ATOM 0 HA PRO A 28 -7.683 9.060 -1.309 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -10.581 9.931 -1.563 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -9.145 10.928 -1.687 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -10.518 10.308 -3.884 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -8.767 10.348 -3.934 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.598 7.954 -3.803 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.111 8.153 -4.709 1.00 0.00 H new ATOM 445 N ALA A 29 -10.341 7.493 -0.306 1.00 0.00 N ATOM 446 CA ALA A 29 -10.992 6.879 0.841 1.00 0.00 C ATOM 447 C ALA A 29 -12.104 5.968 0.356 1.00 0.00 C ATOM 448 O ALA A 29 -12.340 4.895 0.906 1.00 0.00 O ATOM 449 CB ALA A 29 -11.551 7.938 1.784 1.00 0.00 C ATOM 0 H ALA A 29 -10.794 7.285 -1.196 1.00 0.00 H new ATOM 0 HA ALA A 29 -10.255 6.296 1.394 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -12.032 7.452 2.633 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.739 8.572 2.141 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -12.282 8.548 1.253 1.00 0.00 H new ATOM 455 N ASN A 30 -12.777 6.406 -0.699 1.00 0.00 N ATOM 456 CA ASN A 30 -13.880 5.656 -1.268 1.00 0.00 C ATOM 457 C ASN A 30 -13.784 5.627 -2.785 1.00 0.00 C ATOM 458 O ASN A 30 -14.293 6.520 -3.464 1.00 0.00 O ATOM 459 CB ASN A 30 -15.226 6.265 -0.854 1.00 0.00 C ATOM 460 CG ASN A 30 -15.530 6.101 0.623 1.00 0.00 C ATOM 461 OD1 ASN A 30 -15.140 6.928 1.446 1.00 0.00 O ATOM 462 ND2 ASN A 30 -16.252 5.044 0.968 1.00 0.00 N ATOM 0 H ASN A 30 -12.574 7.283 -1.178 1.00 0.00 H new ATOM 0 HA ASN A 30 -13.819 4.637 -0.886 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -15.229 7.326 -1.103 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -16.022 5.799 -1.435 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -16.503 4.895 1.945 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -16.557 4.380 0.256 1.00 0.00 H new ATOM 469 N THR A 31 -13.089 4.632 -3.318 1.00 0.00 N ATOM 470 CA THR A 31 -13.108 4.390 -4.755 1.00 0.00 C ATOM 471 C THR A 31 -14.489 3.866 -5.140 1.00 0.00 C ATOM 472 O THR A 31 -15.238 3.409 -4.274 1.00 0.00 O ATOM 473 CB THR A 31 -12.014 3.387 -5.201 1.00 0.00 C ATOM 474 OG1 THR A 31 -11.957 3.320 -6.631 1.00 0.00 O ATOM 475 CG2 THR A 31 -12.274 1.998 -4.646 1.00 0.00 C ATOM 0 H THR A 31 -12.510 3.984 -2.784 1.00 0.00 H new ATOM 0 HA THR A 31 -12.896 5.330 -5.264 1.00 0.00 H new ATOM 0 HB THR A 31 -11.062 3.745 -4.809 1.00 0.00 H new ATOM 0 HG1 THR A 31 -11.261 2.685 -6.901 1.00 0.00 H new ATOM 0 HG21 THR A 31 -11.488 1.320 -4.978 1.00 0.00 H new ATOM 0 HG22 THR A 31 -12.283 2.037 -3.557 1.00 0.00 H new ATOM 0 HG23 THR A 31 -13.239 1.638 -5.004 1.00 0.00 H new ATOM 483 N ARG A 32 -14.832 3.931 -6.415 1.00 0.00 N ATOM 484 CA ARG A 32 -16.158 3.521 -6.854 1.00 0.00 C ATOM 485 C ARG A 32 -16.384 2.028 -6.620 1.00 0.00 C ATOM 486 O ARG A 32 -17.480 1.616 -6.235 1.00 0.00 O ATOM 487 CB ARG A 32 -16.388 3.865 -8.326 1.00 0.00 C ATOM 488 CG ARG A 32 -16.759 5.323 -8.567 1.00 0.00 C ATOM 489 CD ARG A 32 -15.554 6.242 -8.486 1.00 0.00 C ATOM 490 NE ARG A 32 -14.695 6.117 -9.660 1.00 0.00 N ATOM 491 CZ ARG A 32 -13.813 7.044 -10.036 1.00 0.00 C ATOM 492 NH1 ARG A 32 -13.622 8.125 -9.287 1.00 0.00 N ATOM 493 NH2 ARG A 32 -13.122 6.882 -11.155 1.00 0.00 N ATOM 0 H ARG A 32 -14.218 4.260 -7.160 1.00 0.00 H new ATOM 0 HA ARG A 32 -16.880 4.076 -6.255 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -15.484 3.632 -8.889 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -17.181 3.229 -8.718 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -17.223 5.421 -9.548 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -17.501 5.634 -7.831 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -15.890 7.274 -8.390 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -14.980 6.010 -7.589 1.00 0.00 H new ATOM 0 HE ARG A 32 -14.774 5.272 -10.225 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -14.150 8.247 -8.423 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -12.947 8.833 -9.576 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -13.265 6.050 -11.727 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -12.447 7.590 -11.445 1.00 0.00 H new ATOM 507 N ARG A 33 -15.347 1.223 -6.850 1.00 0.00 N ATOM 508 CA ARG A 33 -15.435 -0.219 -6.643 1.00 0.00 C ATOM 509 C ARG A 33 -14.100 -0.760 -6.131 1.00 0.00 C ATOM 510 O ARG A 33 -13.101 -0.760 -6.855 1.00 0.00 O ATOM 511 CB ARG A 33 -15.829 -0.935 -7.945 1.00 0.00 C ATOM 512 CG ARG A 33 -17.169 -0.475 -8.512 1.00 0.00 C ATOM 513 CD ARG A 33 -17.552 -1.222 -9.780 1.00 0.00 C ATOM 514 NE ARG A 33 -17.848 -2.630 -9.523 1.00 0.00 N ATOM 515 CZ ARG A 33 -19.052 -3.182 -9.662 1.00 0.00 C ATOM 516 NH1 ARG A 33 -20.091 -2.444 -10.040 1.00 0.00 N ATOM 517 NH2 ARG A 33 -19.215 -4.476 -9.420 1.00 0.00 N ATOM 0 H ARG A 33 -14.437 1.546 -7.180 1.00 0.00 H new ATOM 0 HA ARG A 33 -16.207 -0.411 -5.898 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -15.052 -0.769 -8.691 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -15.871 -2.009 -7.761 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -17.946 -0.618 -7.761 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -17.123 0.593 -8.723 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -18.423 -0.746 -10.231 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -16.739 -1.149 -10.502 1.00 0.00 H new ATOM 0 HE ARG A 33 -17.082 -3.230 -9.217 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -19.969 -1.448 -10.226 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -21.010 -2.873 -10.145 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -18.420 -5.044 -9.129 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -20.136 -4.903 -9.525 1.00 0.00 H new ATOM 531 N TRP A 34 -14.080 -1.187 -4.875 1.00 0.00 N ATOM 532 CA TRP A 34 -12.881 -1.772 -4.284 1.00 0.00 C ATOM 533 C TRP A 34 -12.664 -3.189 -4.805 1.00 0.00 C ATOM 534 O TRP A 34 -13.148 -4.158 -4.217 1.00 0.00 O ATOM 535 CB TRP A 34 -12.980 -1.808 -2.755 1.00 0.00 C ATOM 536 CG TRP A 34 -12.853 -0.471 -2.094 1.00 0.00 C ATOM 537 CD1 TRP A 34 -13.868 0.359 -1.717 1.00 0.00 C ATOM 538 CD2 TRP A 34 -11.637 0.186 -1.718 1.00 0.00 C ATOM 539 NE1 TRP A 34 -13.359 1.495 -1.136 1.00 0.00 N ATOM 540 CE2 TRP A 34 -11.990 1.411 -1.123 1.00 0.00 C ATOM 541 CE3 TRP A 34 -10.286 -0.144 -1.829 1.00 0.00 C ATOM 542 CZ2 TRP A 34 -11.038 2.307 -0.645 1.00 0.00 C ATOM 543 CZ3 TRP A 34 -9.343 0.742 -1.349 1.00 0.00 C ATOM 544 CH2 TRP A 34 -9.722 1.955 -0.766 1.00 0.00 C ATOM 0 H TRP A 34 -14.880 -1.140 -4.245 1.00 0.00 H new ATOM 0 HA TRP A 34 -12.036 -1.145 -4.569 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -13.937 -2.248 -2.476 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -12.202 -2.466 -2.368 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -14.919 0.153 -1.855 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -13.909 2.274 -0.774 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -9.983 -1.076 -2.283 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -11.328 3.245 -0.195 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -8.295 0.494 -1.425 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -8.959 2.628 -0.404 1.00 0.00 H new ATOM 555 N VAL A 35 -11.971 -3.307 -5.926 1.00 0.00 N ATOM 556 CA VAL A 35 -11.634 -4.614 -6.480 1.00 0.00 C ATOM 557 C VAL A 35 -10.250 -5.050 -6.009 1.00 0.00 C ATOM 558 O VAL A 35 -9.529 -4.265 -5.388 1.00 0.00 O ATOM 559 CB VAL A 35 -11.678 -4.617 -8.025 1.00 0.00 C ATOM 560 CG1 VAL A 35 -13.079 -4.305 -8.524 1.00 0.00 C ATOM 561 CG2 VAL A 35 -10.671 -3.633 -8.603 1.00 0.00 C ATOM 0 H VAL A 35 -11.630 -2.516 -6.472 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.384 -5.318 -6.120 1.00 0.00 H new ATOM 0 HB VAL A 35 -11.407 -5.616 -8.366 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -13.087 -4.312 -9.614 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.774 -5.057 -8.151 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -13.382 -3.321 -8.166 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.724 -3.656 -9.691 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -10.901 -2.628 -8.250 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.667 -3.910 -8.282 1.00 0.00 H new ATOM 571 N ALA A 36 -9.888 -6.294 -6.309 1.00 0.00 N ATOM 572 CA ALA A 36 -8.598 -6.851 -5.906 1.00 0.00 C ATOM 573 C ALA A 36 -7.442 -5.977 -6.380 1.00 0.00 C ATOM 574 O ALA A 36 -6.516 -5.687 -5.618 1.00 0.00 O ATOM 575 CB ALA A 36 -8.442 -8.267 -6.441 1.00 0.00 C ATOM 0 H ALA A 36 -10.475 -6.942 -6.835 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.573 -6.879 -4.817 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.477 -8.668 -6.133 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.239 -8.896 -6.045 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -8.498 -8.253 -7.529 1.00 0.00 H new ATOM 581 N SER A 37 -7.516 -5.541 -7.632 1.00 0.00 N ATOM 582 CA SER A 37 -6.483 -4.701 -8.217 1.00 0.00 C ATOM 583 C SER A 37 -6.374 -3.369 -7.475 1.00 0.00 C ATOM 584 O SER A 37 -5.280 -2.835 -7.305 1.00 0.00 O ATOM 585 CB SER A 37 -6.782 -4.470 -9.695 1.00 0.00 C ATOM 586 OG SER A 37 -6.932 -5.708 -10.377 1.00 0.00 O ATOM 0 H SER A 37 -8.287 -5.758 -8.264 1.00 0.00 H new ATOM 0 HA SER A 37 -5.525 -5.212 -8.124 1.00 0.00 H new ATOM 0 HB2 SER A 37 -7.692 -3.879 -9.799 1.00 0.00 H new ATOM 0 HB3 SER A 37 -5.975 -3.895 -10.149 1.00 0.00 H new ATOM 0 HG SER A 37 -7.125 -5.539 -11.323 1.00 0.00 H new ATOM 592 N ARG A 38 -7.509 -2.839 -7.022 1.00 0.00 N ATOM 593 CA ARG A 38 -7.508 -1.605 -6.250 1.00 0.00 C ATOM 594 C ARG A 38 -6.824 -1.816 -4.907 1.00 0.00 C ATOM 595 O ARG A 38 -5.964 -1.034 -4.523 1.00 0.00 O ATOM 596 CB ARG A 38 -8.931 -1.078 -6.027 1.00 0.00 C ATOM 597 CG ARG A 38 -9.543 -0.371 -7.233 1.00 0.00 C ATOM 598 CD ARG A 38 -8.913 0.997 -7.490 1.00 0.00 C ATOM 599 NE ARG A 38 -7.496 0.906 -7.857 1.00 0.00 N ATOM 600 CZ ARG A 38 -6.939 1.568 -8.874 1.00 0.00 C ATOM 601 NH1 ARG A 38 -7.674 2.359 -9.642 1.00 0.00 N ATOM 602 NH2 ARG A 38 -5.643 1.428 -9.126 1.00 0.00 N ATOM 0 H ARG A 38 -8.433 -3.244 -7.176 1.00 0.00 H new ATOM 0 HA ARG A 38 -6.955 -0.862 -6.825 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.574 -1.913 -5.747 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.921 -0.387 -5.184 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.420 -0.996 -8.118 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.615 -0.250 -7.074 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -9.459 1.500 -8.288 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.014 1.613 -6.596 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.897 0.297 -7.299 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.672 2.465 -9.458 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.242 2.862 -10.417 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.073 0.815 -8.543 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -5.217 1.933 -9.903 1.00 0.00 H new ATOM 616 N LYS A 39 -7.195 -2.895 -4.219 1.00 0.00 N ATOM 617 CA LYS A 39 -6.668 -3.188 -2.885 1.00 0.00 C ATOM 618 C LYS A 39 -5.141 -3.246 -2.900 1.00 0.00 C ATOM 619 O LYS A 39 -4.481 -2.500 -2.177 1.00 0.00 O ATOM 620 CB LYS A 39 -7.245 -4.511 -2.365 1.00 0.00 C ATOM 621 CG LYS A 39 -8.768 -4.539 -2.313 1.00 0.00 C ATOM 622 CD LYS A 39 -9.295 -5.910 -1.912 1.00 0.00 C ATOM 623 CE LYS A 39 -9.222 -6.131 -0.408 1.00 0.00 C ATOM 624 NZ LYS A 39 -10.199 -5.277 0.326 1.00 0.00 N ATOM 0 H LYS A 39 -7.862 -3.585 -4.565 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.971 -2.383 -2.216 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.897 -5.324 -3.003 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.853 -4.700 -1.366 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -9.121 -3.792 -1.602 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.170 -4.266 -3.289 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -10.328 -6.013 -2.244 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.719 -6.683 -2.420 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.417 -7.180 -0.185 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.213 -5.913 -0.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.240 -5.574 1.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.899 -4.283 0.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.140 -5.378 -0.104 1.00 0.00 H new ATOM 638 N ILE A 40 -4.589 -4.114 -3.744 1.00 0.00 N ATOM 639 CA ILE A 40 -3.142 -4.276 -3.858 1.00 0.00 C ATOM 640 C ILE A 40 -2.465 -2.962 -4.258 1.00 0.00 C ATOM 641 O ILE A 40 -1.388 -2.621 -3.752 1.00 0.00 O ATOM 642 CB ILE A 40 -2.782 -5.368 -4.889 1.00 0.00 C ATOM 643 CG1 ILE A 40 -3.440 -6.698 -4.507 1.00 0.00 C ATOM 644 CG2 ILE A 40 -1.271 -5.530 -4.994 1.00 0.00 C ATOM 645 CD1 ILE A 40 -3.220 -7.801 -5.524 1.00 0.00 C ATOM 0 H ILE A 40 -5.127 -4.720 -4.363 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.778 -4.578 -2.876 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.161 -5.061 -5.864 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.050 -7.022 -3.542 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.511 -6.540 -4.381 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.038 -6.304 -5.725 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.825 -4.587 -5.309 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.867 -5.815 -4.023 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.714 -8.712 -5.186 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.635 -7.498 -6.485 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.152 -7.987 -5.633 1.00 0.00 H new ATOM 657 N ALA A 41 -3.111 -2.221 -5.154 1.00 0.00 N ATOM 658 CA ALA A 41 -2.570 -0.956 -5.634 1.00 0.00 C ATOM 659 C ALA A 41 -2.444 0.058 -4.505 1.00 0.00 C ATOM 660 O ALA A 41 -1.542 0.889 -4.512 1.00 0.00 O ATOM 661 CB ALA A 41 -3.429 -0.393 -6.754 1.00 0.00 C ATOM 0 H ALA A 41 -4.010 -2.476 -5.562 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.572 -1.153 -6.024 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.006 0.551 -7.097 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.456 -1.101 -7.583 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.442 -0.225 -6.387 1.00 0.00 H new ATOM 667 N VAL A 42 -3.344 -0.012 -3.531 1.00 0.00 N ATOM 668 CA VAL A 42 -3.303 0.911 -2.405 1.00 0.00 C ATOM 669 C VAL A 42 -2.144 0.569 -1.474 1.00 0.00 C ATOM 670 O VAL A 42 -1.436 1.468 -1.016 1.00 0.00 O ATOM 671 CB VAL A 42 -4.621 0.920 -1.600 1.00 0.00 C ATOM 672 CG1 VAL A 42 -4.593 1.998 -0.527 1.00 0.00 C ATOM 673 CG2 VAL A 42 -5.812 1.131 -2.517 1.00 0.00 C ATOM 0 H VAL A 42 -4.104 -0.692 -3.498 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.161 1.907 -2.824 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.722 -0.051 -1.115 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.532 1.985 0.027 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.766 1.809 0.157 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.461 2.974 -0.995 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.729 1.134 -1.928 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.709 2.086 -3.033 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.854 0.325 -3.250 1.00 0.00 H new ATOM 683 N VAL A 43 -1.939 -0.730 -1.218 1.00 0.00 N ATOM 684 CA VAL A 43 -0.861 -1.174 -0.325 1.00 0.00 C ATOM 685 C VAL A 43 0.465 -0.606 -0.791 1.00 0.00 C ATOM 686 O VAL A 43 1.060 0.236 -0.125 1.00 0.00 O ATOM 687 CB VAL A 43 -0.698 -2.710 -0.259 1.00 0.00 C ATOM 688 CG1 VAL A 43 -0.245 -3.144 1.125 1.00 0.00 C ATOM 689 CG2 VAL A 43 -1.970 -3.429 -0.657 1.00 0.00 C ATOM 0 H VAL A 43 -2.500 -1.485 -1.612 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.140 -0.815 0.666 1.00 0.00 H new ATOM 0 HB VAL A 43 0.072 -2.987 -0.979 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.137 -4.228 1.149 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.713 -2.678 1.357 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.986 -2.837 1.863 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.813 -4.506 -0.597 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.777 -3.142 0.018 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.237 -3.157 -1.678 1.00 0.00 H new ATOM 699 N ARG A 44 0.912 -1.047 -1.959 1.00 0.00 N ATOM 700 CA ARG A 44 2.207 -0.621 -2.462 1.00 0.00 C ATOM 701 C ARG A 44 2.138 0.771 -3.085 1.00 0.00 C ATOM 702 O ARG A 44 3.161 1.347 -3.443 1.00 0.00 O ATOM 703 CB ARG A 44 2.806 -1.652 -3.435 1.00 0.00 C ATOM 704 CG ARG A 44 1.806 -2.373 -4.335 1.00 0.00 C ATOM 705 CD ARG A 44 1.362 -1.532 -5.524 1.00 0.00 C ATOM 706 NE ARG A 44 0.746 -2.361 -6.567 1.00 0.00 N ATOM 707 CZ ARG A 44 0.200 -1.885 -7.688 1.00 0.00 C ATOM 708 NH1 ARG A 44 0.113 -0.577 -7.885 1.00 0.00 N ATOM 709 NH2 ARG A 44 -0.284 -2.717 -8.601 1.00 0.00 N ATOM 0 H ARG A 44 0.405 -1.690 -2.567 1.00 0.00 H new ATOM 0 HA ARG A 44 2.881 -0.558 -1.607 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.536 -1.146 -4.067 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.349 -2.399 -2.855 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.254 -3.298 -4.698 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.931 -2.651 -3.747 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.651 -0.776 -5.191 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.220 -1.003 -5.938 1.00 0.00 H new ATOM 0 HE ARG A 44 0.734 -3.371 -6.425 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.464 0.070 -7.179 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.305 -0.217 -8.743 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.240 -3.724 -8.448 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.701 -2.349 -9.456 1.00 0.00 H new ATOM 723 N GLY A 45 0.934 1.315 -3.182 1.00 0.00 N ATOM 724 CA GLY A 45 0.767 2.671 -3.672 1.00 0.00 C ATOM 725 C GLY A 45 1.174 3.696 -2.633 1.00 0.00 C ATOM 726 O GLY A 45 1.892 4.647 -2.934 1.00 0.00 O ATOM 0 H GLY A 45 0.066 0.842 -2.930 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.365 2.809 -4.573 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.274 2.831 -3.953 1.00 0.00 H new ATOM 730 N VAL A 46 0.724 3.499 -1.400 1.00 0.00 N ATOM 731 CA VAL A 46 1.100 4.394 -0.316 1.00 0.00 C ATOM 732 C VAL A 46 2.444 3.984 0.279 1.00 0.00 C ATOM 733 O VAL A 46 3.309 4.826 0.502 1.00 0.00 O ATOM 734 CB VAL A 46 0.024 4.453 0.802 1.00 0.00 C ATOM 735 CG1 VAL A 46 -1.263 5.056 0.270 1.00 0.00 C ATOM 736 CG2 VAL A 46 -0.247 3.077 1.394 1.00 0.00 C ATOM 0 H VAL A 46 0.105 2.735 -1.129 1.00 0.00 H new ATOM 0 HA VAL A 46 1.183 5.392 -0.747 1.00 0.00 H new ATOM 0 HB VAL A 46 0.413 5.089 1.598 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.006 5.090 1.067 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.070 6.067 -0.089 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.639 4.445 -0.551 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.005 3.159 2.173 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.602 2.407 0.611 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.672 2.678 1.823 1.00 0.00 H new ATOM 746 N ILE A 47 2.615 2.678 0.476 1.00 0.00 N ATOM 747 CA ILE A 47 3.795 2.121 1.130 1.00 0.00 C ATOM 748 C ILE A 47 5.069 2.357 0.321 1.00 0.00 C ATOM 749 O ILE A 47 6.098 2.745 0.873 1.00 0.00 O ATOM 750 CB ILE A 47 3.587 0.605 1.395 1.00 0.00 C ATOM 751 CG1 ILE A 47 2.680 0.409 2.614 1.00 0.00 C ATOM 752 CG2 ILE A 47 4.905 -0.134 1.583 1.00 0.00 C ATOM 753 CD1 ILE A 47 2.398 -1.042 2.941 1.00 0.00 C ATOM 0 H ILE A 47 1.936 1.975 0.185 1.00 0.00 H new ATOM 0 HA ILE A 47 3.923 2.639 2.080 1.00 0.00 H new ATOM 0 HB ILE A 47 3.108 0.178 0.514 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.143 0.883 3.479 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.735 0.922 2.438 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.707 -1.190 1.765 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.513 -0.029 0.684 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.440 0.287 2.434 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.750 -1.099 3.815 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.905 -1.517 2.093 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.336 -1.557 3.151 1.00 0.00 H new ATOM 765 N TYR A 48 5.001 2.134 -0.985 1.00 0.00 N ATOM 766 CA TYR A 48 6.176 2.290 -1.834 1.00 0.00 C ATOM 767 C TYR A 48 6.165 3.657 -2.502 1.00 0.00 C ATOM 768 O TYR A 48 7.145 4.066 -3.125 1.00 0.00 O ATOM 769 CB TYR A 48 6.197 1.191 -2.897 1.00 0.00 C ATOM 770 CG TYR A 48 7.583 0.763 -3.326 1.00 0.00 C ATOM 771 CD1 TYR A 48 8.311 -0.145 -2.566 1.00 0.00 C ATOM 772 CD2 TYR A 48 8.161 1.255 -4.490 1.00 0.00 C ATOM 773 CE1 TYR A 48 9.572 -0.550 -2.955 1.00 0.00 C ATOM 774 CE2 TYR A 48 9.423 0.854 -4.884 1.00 0.00 C ATOM 775 CZ TYR A 48 10.123 -0.048 -4.112 1.00 0.00 C ATOM 776 OH TYR A 48 11.379 -0.452 -4.502 1.00 0.00 O ATOM 0 H TYR A 48 4.154 1.847 -1.476 1.00 0.00 H new ATOM 0 HA TYR A 48 7.070 2.209 -1.216 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.664 0.321 -2.513 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.650 1.539 -3.773 1.00 0.00 H new ATOM 0 HD1 TYR A 48 7.883 -0.540 -1.656 1.00 0.00 H new ATOM 0 HD2 TYR A 48 7.615 1.962 -5.096 1.00 0.00 H new ATOM 0 HE1 TYR A 48 10.124 -1.258 -2.354 1.00 0.00 H new ATOM 0 HE2 TYR A 48 9.858 1.245 -5.792 1.00 0.00 H new ATOM 0 HH TYR A 48 11.621 -0.006 -5.340 1.00 0.00 H new ATOM 786 N GLY A 49 5.049 4.355 -2.366 1.00 0.00 N ATOM 787 CA GLY A 49 4.866 5.601 -3.076 1.00 0.00 C ATOM 788 C GLY A 49 5.086 6.835 -2.222 1.00 0.00 C ATOM 789 O GLY A 49 6.114 7.498 -2.334 1.00 0.00 O ATOM 0 H GLY A 49 4.265 4.079 -1.775 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.553 5.630 -3.922 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.856 5.630 -3.485 1.00 0.00 H new ATOM 793 N LEU A 50 4.123 7.142 -1.358 1.00 0.00 N ATOM 794 CA LEU A 50 4.087 8.449 -0.712 1.00 0.00 C ATOM 795 C LEU A 50 4.515 8.419 0.755 1.00 0.00 C ATOM 796 O LEU A 50 5.618 8.850 1.096 1.00 0.00 O ATOM 797 CB LEU A 50 2.685 9.058 -0.823 1.00 0.00 C ATOM 798 CG LEU A 50 2.163 9.252 -2.249 1.00 0.00 C ATOM 799 CD1 LEU A 50 0.802 9.921 -2.223 1.00 0.00 C ATOM 800 CD2 LEU A 50 3.134 10.075 -3.077 1.00 0.00 C ATOM 0 H LEU A 50 3.366 6.512 -1.092 1.00 0.00 H new ATOM 0 HA LEU A 50 4.813 9.066 -1.241 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.986 8.419 -0.283 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.687 10.025 -0.320 1.00 0.00 H new ATOM 0 HG LEU A 50 2.068 8.270 -2.712 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.442 10.053 -3.243 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.101 9.297 -1.669 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.884 10.894 -1.738 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.739 10.198 -4.085 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.265 11.054 -2.617 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.096 9.564 -3.124 1.00 0.00 H new ATOM 812 N ILE A 51 3.639 7.924 1.618 1.00 0.00 N ATOM 813 CA ILE A 51 3.810 8.095 3.056 1.00 0.00 C ATOM 814 C ILE A 51 3.869 6.767 3.807 1.00 0.00 C ATOM 815 O ILE A 51 3.811 5.696 3.208 1.00 0.00 O ATOM 816 CB ILE A 51 2.683 8.979 3.653 1.00 0.00 C ATOM 817 CG1 ILE A 51 1.322 8.695 2.990 1.00 0.00 C ATOM 818 CG2 ILE A 51 3.037 10.451 3.513 1.00 0.00 C ATOM 819 CD1 ILE A 51 0.747 7.329 3.289 1.00 0.00 C ATOM 0 H ILE A 51 2.805 7.402 1.350 1.00 0.00 H new ATOM 0 HA ILE A 51 4.771 8.593 3.187 1.00 0.00 H new ATOM 0 HB ILE A 51 2.595 8.729 4.710 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.610 9.453 3.315 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.430 8.801 1.911 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.238 11.059 3.936 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.967 10.654 4.044 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.161 10.697 2.458 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.211 7.218 2.781 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.435 6.560 2.938 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.602 7.223 4.364 1.00 0.00 H new ATOM 831 N THR A 52 3.984 6.855 5.128 1.00 0.00 N ATOM 832 CA THR A 52 4.050 5.671 5.971 1.00 0.00 C ATOM 833 C THR A 52 2.658 5.101 6.210 1.00 0.00 C ATOM 834 O THR A 52 1.653 5.715 5.844 1.00 0.00 O ATOM 835 CB THR A 52 4.693 5.984 7.336 1.00 0.00 C ATOM 836 OG1 THR A 52 3.892 6.941 8.044 1.00 0.00 O ATOM 837 CG2 THR A 52 6.106 6.521 7.166 1.00 0.00 C ATOM 0 H THR A 52 4.033 7.737 5.637 1.00 0.00 H new ATOM 0 HA THR A 52 4.665 4.941 5.445 1.00 0.00 H new ATOM 0 HB THR A 52 4.746 5.057 7.908 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.305 7.135 8.912 1.00 0.00 H new ATOM 0 HG21 THR A 52 6.535 6.733 8.145 1.00 0.00 H new ATOM 0 HG22 THR A 52 6.718 5.778 6.655 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.079 7.437 6.576 1.00 0.00 H new ATOM 845 N LEU A 53 2.595 3.944 6.859 1.00 0.00 N ATOM 846 CA LEU A 53 1.319 3.309 7.157 1.00 0.00 C ATOM 847 C LEU A 53 0.545 4.107 8.207 1.00 0.00 C ATOM 848 O LEU A 53 -0.647 3.893 8.406 1.00 0.00 O ATOM 849 CB LEU A 53 1.532 1.867 7.627 1.00 0.00 C ATOM 850 CG LEU A 53 0.249 1.062 7.851 1.00 0.00 C ATOM 851 CD1 LEU A 53 -0.596 1.035 6.585 1.00 0.00 C ATOM 852 CD2 LEU A 53 0.578 -0.351 8.304 1.00 0.00 C ATOM 0 H LEU A 53 3.411 3.428 7.188 1.00 0.00 H new ATOM 0 HA LEU A 53 0.728 3.290 6.241 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.145 1.348 6.890 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.099 1.884 8.558 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.328 1.549 8.637 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.503 0.458 6.765 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.864 2.054 6.304 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.027 0.574 5.778 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.346 -0.908 8.458 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.178 -0.847 7.541 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.139 -0.312 9.238 1.00 0.00 H new ATOM 864 N ALA A 54 1.227 5.037 8.869 1.00 0.00 N ATOM 865 CA ALA A 54 0.580 5.903 9.844 1.00 0.00 C ATOM 866 C ALA A 54 -0.384 6.852 9.140 1.00 0.00 C ATOM 867 O ALA A 54 -1.576 6.879 9.443 1.00 0.00 O ATOM 868 CB ALA A 54 1.619 6.679 10.643 1.00 0.00 C ATOM 0 H ALA A 54 2.225 5.209 8.747 1.00 0.00 H new ATOM 0 HA ALA A 54 0.012 5.286 10.541 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.117 7.321 11.367 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.270 5.980 11.168 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.215 7.292 9.967 1.00 0.00 H new ATOM 874 N GLU A 55 0.134 7.606 8.175 1.00 0.00 N ATOM 875 CA GLU A 55 -0.690 8.517 7.386 1.00 0.00 C ATOM 876 C GLU A 55 -1.699 7.711 6.578 1.00 0.00 C ATOM 877 O GLU A 55 -2.874 8.067 6.482 1.00 0.00 O ATOM 878 CB GLU A 55 0.186 9.345 6.445 1.00 0.00 C ATOM 879 CG GLU A 55 -0.210 10.812 6.354 1.00 0.00 C ATOM 880 CD GLU A 55 -1.671 11.025 6.009 1.00 0.00 C ATOM 881 OE1 GLU A 55 -2.029 10.946 4.816 1.00 0.00 O ATOM 882 OE2 GLU A 55 -2.464 11.304 6.929 1.00 0.00 O ATOM 0 H GLU A 55 1.122 7.604 7.920 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.217 9.195 8.057 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.221 9.280 6.779 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.145 8.906 5.448 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.005 11.298 7.306 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.408 11.301 5.601 1.00 0.00 H new ATOM 889 N ALA A 56 -1.225 6.606 6.012 1.00 0.00 N ATOM 890 CA ALA A 56 -2.073 5.689 5.262 1.00 0.00 C ATOM 891 C ALA A 56 -3.178 5.104 6.124 1.00 0.00 C ATOM 892 O ALA A 56 -4.156 4.610 5.597 1.00 0.00 O ATOM 893 CB ALA A 56 -1.242 4.573 4.649 1.00 0.00 C ATOM 0 H ALA A 56 -0.246 6.323 6.060 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.544 6.264 4.465 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.893 3.898 4.093 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.500 5.000 3.974 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.736 4.019 5.440 1.00 0.00 H new ATOM 899 N LYS A 57 -3.039 5.157 7.439 1.00 0.00 N ATOM 900 CA LYS A 57 -4.108 4.680 8.299 1.00 0.00 C ATOM 901 C LYS A 57 -4.984 5.847 8.753 1.00 0.00 C ATOM 902 O LYS A 57 -6.201 5.708 8.880 1.00 0.00 O ATOM 903 CB LYS A 57 -3.563 3.907 9.502 1.00 0.00 C ATOM 904 CG LYS A 57 -4.426 2.707 9.865 1.00 0.00 C ATOM 905 CD LYS A 57 -3.926 1.979 11.102 1.00 0.00 C ATOM 906 CE LYS A 57 -2.507 1.464 10.925 1.00 0.00 C ATOM 907 NZ LYS A 57 -2.096 0.584 12.052 1.00 0.00 N ATOM 0 H LYS A 57 -2.217 5.516 7.925 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.720 3.988 7.720 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.550 3.569 9.284 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.498 4.576 10.360 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -5.451 3.039 10.033 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.449 2.013 9.024 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.963 2.652 11.959 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -4.590 1.143 11.324 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.434 0.913 9.988 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.820 2.307 10.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.059 0.513 12.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.437 0.986 12.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.505 -0.363 11.920 1.00 0.00 H new ATOM 921 N GLN A 58 -4.370 7.005 8.972 1.00 0.00 N ATOM 922 CA GLN A 58 -5.119 8.202 9.347 1.00 0.00 C ATOM 923 C GLN A 58 -6.067 8.618 8.225 1.00 0.00 C ATOM 924 O GLN A 58 -7.196 9.044 8.475 1.00 0.00 O ATOM 925 CB GLN A 58 -4.168 9.352 9.691 1.00 0.00 C ATOM 926 CG GLN A 58 -3.317 9.089 10.924 1.00 0.00 C ATOM 927 CD GLN A 58 -2.424 10.259 11.282 1.00 0.00 C ATOM 928 OE1 GLN A 58 -2.003 11.023 10.416 1.00 0.00 O ATOM 929 NE2 GLN A 58 -2.135 10.418 12.562 1.00 0.00 N ATOM 0 H GLN A 58 -3.362 7.141 8.897 1.00 0.00 H new ATOM 0 HA GLN A 58 -5.710 7.967 10.232 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.513 9.538 8.840 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.751 10.260 9.849 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.969 8.864 11.768 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.701 8.207 10.753 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.503 9.764 13.253 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.545 11.195 12.859 1.00 0.00 H new ATOM 938 N THR A 59 -5.609 8.480 6.990 1.00 0.00 N ATOM 939 CA THR A 59 -6.426 8.819 5.837 1.00 0.00 C ATOM 940 C THR A 59 -7.071 7.575 5.221 1.00 0.00 C ATOM 941 O THR A 59 -8.293 7.504 5.097 1.00 0.00 O ATOM 942 CB THR A 59 -5.596 9.547 4.763 1.00 0.00 C ATOM 943 OG1 THR A 59 -4.937 10.683 5.338 1.00 0.00 O ATOM 944 CG2 THR A 59 -6.482 10.001 3.611 1.00 0.00 C ATOM 0 H THR A 59 -4.676 8.136 6.762 1.00 0.00 H new ATOM 0 HA THR A 59 -7.214 9.483 6.192 1.00 0.00 H new ATOM 0 HB THR A 59 -4.851 8.851 4.378 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.009 10.717 5.024 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.874 10.513 2.865 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.961 9.134 3.157 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.246 10.682 3.986 1.00 0.00 H new ATOM 952 N TYR A 60 -6.255 6.581 4.886 1.00 0.00 N ATOM 953 CA TYR A 60 -6.714 5.436 4.104 1.00 0.00 C ATOM 954 C TYR A 60 -6.884 4.212 4.995 1.00 0.00 C ATOM 955 O TYR A 60 -6.962 3.094 4.502 1.00 0.00 O ATOM 956 CB TYR A 60 -5.715 5.098 2.988 1.00 0.00 C ATOM 957 CG TYR A 60 -5.306 6.273 2.122 1.00 0.00 C ATOM 958 CD1 TYR A 60 -4.293 7.143 2.520 1.00 0.00 C ATOM 959 CD2 TYR A 60 -5.924 6.508 0.904 1.00 0.00 C ATOM 960 CE1 TYR A 60 -3.918 8.211 1.729 1.00 0.00 C ATOM 961 CE2 TYR A 60 -5.553 7.572 0.107 1.00 0.00 C ATOM 962 CZ TYR A 60 -4.551 8.419 0.522 1.00 0.00 C ATOM 963 OH TYR A 60 -4.186 9.483 -0.273 1.00 0.00 O ATOM 0 H TYR A 60 -5.269 6.544 5.144 1.00 0.00 H new ATOM 0 HA TYR A 60 -7.673 5.705 3.662 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.820 4.668 3.439 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.151 4.329 2.350 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -3.793 6.979 3.463 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -6.710 5.846 0.572 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -3.134 8.879 2.054 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.047 7.739 -0.839 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.730 9.484 -1.088 1.00 0.00 H new ATOM 973 N GLY A 61 -6.927 4.443 6.306 1.00 0.00 N ATOM 974 CA GLY A 61 -6.871 3.362 7.274 1.00 0.00 C ATOM 975 C GLY A 61 -7.873 2.257 7.054 1.00 0.00 C ATOM 976 O GLY A 61 -7.532 1.091 7.237 1.00 0.00 O ATOM 0 H GLY A 61 -7.001 5.373 6.718 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.869 2.932 7.259 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -7.024 3.778 8.270 1.00 0.00 H new ATOM 980 N LEU A 62 -9.090 2.623 6.638 1.00 0.00 N ATOM 981 CA LEU A 62 -10.211 1.676 6.517 1.00 0.00 C ATOM 982 C LEU A 62 -10.468 1.003 7.867 1.00 0.00 C ATOM 983 O LEU A 62 -11.344 1.406 8.632 1.00 0.00 O ATOM 984 CB LEU A 62 -9.935 0.586 5.462 1.00 0.00 C ATOM 985 CG LEU A 62 -8.971 0.963 4.332 1.00 0.00 C ATOM 986 CD1 LEU A 62 -7.786 0.011 4.309 1.00 0.00 C ATOM 987 CD2 LEU A 62 -9.671 0.953 2.987 1.00 0.00 C ATOM 0 H LEU A 62 -9.328 3.579 6.376 1.00 0.00 H new ATOM 0 HA LEU A 62 -11.085 2.246 6.200 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -9.537 -0.291 5.972 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -10.886 0.292 5.017 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.613 1.975 4.522 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.110 0.291 3.501 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.257 0.066 5.260 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.140 -1.007 4.149 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.961 1.224 2.205 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.065 -0.044 2.789 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.491 1.671 2.998 1.00 0.00 H new ATOM 999 N SER A 63 -9.680 -0.022 8.128 1.00 0.00 N ATOM 1000 CA SER A 63 -9.630 -0.708 9.398 1.00 0.00 C ATOM 1001 C SER A 63 -8.283 -1.412 9.456 1.00 0.00 C ATOM 1002 O SER A 63 -7.768 -1.820 8.412 1.00 0.00 O ATOM 1003 CB SER A 63 -10.778 -1.717 9.523 1.00 0.00 C ATOM 1004 OG SER A 63 -10.772 -2.348 10.793 1.00 0.00 O ATOM 0 H SER A 63 -9.037 -0.410 7.437 1.00 0.00 H new ATOM 0 HA SER A 63 -9.741 -0.006 10.224 1.00 0.00 H new ATOM 0 HB2 SER A 63 -11.730 -1.209 9.371 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.690 -2.470 8.740 1.00 0.00 H new ATOM 0 HG SER A 63 -11.515 -2.985 10.846 1.00 0.00 H new ATOM 1010 N ASP A 64 -7.692 -1.530 10.643 1.00 0.00 N ATOM 1011 CA ASP A 64 -6.371 -2.143 10.765 1.00 0.00 C ATOM 1012 C ASP A 64 -6.394 -3.545 10.174 1.00 0.00 C ATOM 1013 O ASP A 64 -5.489 -3.931 9.445 1.00 0.00 O ATOM 1014 CB ASP A 64 -5.916 -2.201 12.226 1.00 0.00 C ATOM 1015 CG ASP A 64 -4.447 -2.549 12.361 1.00 0.00 C ATOM 1016 OD1 ASP A 64 -4.118 -3.750 12.399 1.00 0.00 O ATOM 1017 OD2 ASP A 64 -3.613 -1.618 12.448 1.00 0.00 O ATOM 0 H ASP A 64 -8.100 -1.214 11.523 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.661 -1.526 10.214 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.103 -1.238 12.700 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.512 -2.941 12.760 1.00 0.00 H new ATOM 1022 N GLU A 65 -7.468 -4.277 10.464 1.00 0.00 N ATOM 1023 CA GLU A 65 -7.654 -5.629 9.946 1.00 0.00 C ATOM 1024 C GLU A 65 -7.734 -5.637 8.422 1.00 0.00 C ATOM 1025 O GLU A 65 -7.177 -6.521 7.770 1.00 0.00 O ATOM 1026 CB GLU A 65 -8.925 -6.243 10.531 1.00 0.00 C ATOM 1027 CG GLU A 65 -8.847 -6.497 12.024 1.00 0.00 C ATOM 1028 CD GLU A 65 -7.861 -7.592 12.371 1.00 0.00 C ATOM 1029 OE1 GLU A 65 -8.252 -8.777 12.336 1.00 0.00 O ATOM 1030 OE2 GLU A 65 -6.695 -7.275 12.682 1.00 0.00 O ATOM 0 H GLU A 65 -8.229 -3.952 11.061 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.789 -6.222 10.244 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -9.766 -5.579 10.328 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -9.131 -7.184 10.021 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.558 -5.577 12.532 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -9.835 -6.770 12.396 1.00 0.00 H new ATOM 1037 N GLU A 66 -8.422 -4.646 7.861 1.00 0.00 N ATOM 1038 CA GLU A 66 -8.598 -4.549 6.416 1.00 0.00 C ATOM 1039 C GLU A 66 -7.247 -4.444 5.718 1.00 0.00 C ATOM 1040 O GLU A 66 -6.868 -5.329 4.955 1.00 0.00 O ATOM 1041 CB GLU A 66 -9.471 -3.341 6.064 1.00 0.00 C ATOM 1042 CG GLU A 66 -9.745 -3.172 4.572 1.00 0.00 C ATOM 1043 CD GLU A 66 -10.495 -4.342 3.965 1.00 0.00 C ATOM 1044 OE1 GLU A 66 -11.582 -4.681 4.472 1.00 0.00 O ATOM 1045 OE2 GLU A 66 -10.005 -4.918 2.966 1.00 0.00 O ATOM 0 H GLU A 66 -8.868 -3.896 8.389 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.098 -5.454 6.070 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.423 -3.432 6.587 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.987 -2.438 6.436 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.321 -2.260 4.416 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.798 -3.045 4.048 1.00 0.00 H new ATOM 1052 N PHE A 67 -6.513 -3.375 6.012 1.00 0.00 N ATOM 1053 CA PHE A 67 -5.226 -3.129 5.369 1.00 0.00 C ATOM 1054 C PHE A 67 -4.244 -4.259 5.696 1.00 0.00 C ATOM 1055 O PHE A 67 -3.433 -4.659 4.861 1.00 0.00 O ATOM 1056 CB PHE A 67 -4.657 -1.784 5.830 1.00 0.00 C ATOM 1057 CG PHE A 67 -3.628 -1.204 4.896 1.00 0.00 C ATOM 1058 CD1 PHE A 67 -2.346 -1.731 4.828 1.00 0.00 C ATOM 1059 CD2 PHE A 67 -3.948 -0.129 4.084 1.00 0.00 C ATOM 1060 CE1 PHE A 67 -1.408 -1.195 3.967 1.00 0.00 C ATOM 1061 CE2 PHE A 67 -3.014 0.411 3.221 1.00 0.00 C ATOM 1062 CZ PHE A 67 -1.741 -0.123 3.162 1.00 0.00 C ATOM 0 H PHE A 67 -6.787 -2.665 6.691 1.00 0.00 H new ATOM 0 HA PHE A 67 -5.374 -3.098 4.290 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -5.476 -1.073 5.940 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.209 -1.909 6.816 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.079 -2.569 5.455 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -4.941 0.293 4.126 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -0.414 -1.614 3.923 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.278 1.249 2.593 1.00 0.00 H new ATOM 0 HZ PHE A 67 -1.008 0.297 2.488 1.00 0.00 H new ATOM 1072 N ASN A 68 -4.345 -4.776 6.919 1.00 0.00 N ATOM 1073 CA ASN A 68 -3.500 -5.879 7.382 1.00 0.00 C ATOM 1074 C ASN A 68 -3.709 -7.110 6.511 1.00 0.00 C ATOM 1075 O ASN A 68 -2.759 -7.809 6.153 1.00 0.00 O ATOM 1076 CB ASN A 68 -3.857 -6.220 8.831 1.00 0.00 C ATOM 1077 CG ASN A 68 -2.652 -6.339 9.744 1.00 0.00 C ATOM 1078 OD1 ASN A 68 -1.606 -6.861 9.359 1.00 0.00 O ATOM 1079 ND2 ASN A 68 -2.790 -5.809 10.953 1.00 0.00 N ATOM 0 H ASN A 68 -5.012 -4.445 7.616 1.00 0.00 H new ATOM 0 HA ASN A 68 -2.456 -5.572 7.318 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -4.524 -5.451 9.222 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -4.409 -7.160 8.848 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -2.009 -5.823 11.608 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -3.677 -5.387 11.227 1.00 0.00 H new ATOM 1086 N SER A 69 -4.965 -7.360 6.166 1.00 0.00 N ATOM 1087 CA SER A 69 -5.329 -8.507 5.351 1.00 0.00 C ATOM 1088 C SER A 69 -4.768 -8.372 3.936 1.00 0.00 C ATOM 1089 O SER A 69 -4.499 -9.374 3.273 1.00 0.00 O ATOM 1090 CB SER A 69 -6.852 -8.662 5.309 1.00 0.00 C ATOM 1091 OG SER A 69 -7.231 -9.925 4.781 1.00 0.00 O ATOM 0 H SER A 69 -5.755 -6.776 6.442 1.00 0.00 H new ATOM 0 HA SER A 69 -4.896 -9.400 5.802 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.258 -8.550 6.314 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.283 -7.867 4.700 1.00 0.00 H new ATOM 0 HG SER A 69 -8.208 -9.994 4.768 1.00 0.00 H new ATOM 1097 N TRP A 70 -4.573 -7.131 3.483 1.00 0.00 N ATOM 1098 CA TRP A 70 -4.004 -6.884 2.158 1.00 0.00 C ATOM 1099 C TRP A 70 -2.576 -7.412 2.110 1.00 0.00 C ATOM 1100 O TRP A 70 -2.189 -8.122 1.184 1.00 0.00 O ATOM 1101 CB TRP A 70 -4.009 -5.385 1.817 1.00 0.00 C ATOM 1102 CG TRP A 70 -5.372 -4.757 1.797 1.00 0.00 C ATOM 1103 CD1 TRP A 70 -6.564 -5.373 2.035 1.00 0.00 C ATOM 1104 CD2 TRP A 70 -5.681 -3.387 1.516 1.00 0.00 C ATOM 1105 NE1 TRP A 70 -7.590 -4.468 1.945 1.00 0.00 N ATOM 1106 CE2 TRP A 70 -7.078 -3.244 1.614 1.00 0.00 C ATOM 1107 CE3 TRP A 70 -4.915 -2.266 1.193 1.00 0.00 C ATOM 1108 CZ2 TRP A 70 -7.719 -2.024 1.403 1.00 0.00 C ATOM 1109 CZ3 TRP A 70 -5.551 -1.061 0.980 1.00 0.00 C ATOM 1110 CH2 TRP A 70 -6.942 -0.948 1.084 1.00 0.00 C ATOM 0 H TRP A 70 -4.799 -6.288 4.011 1.00 0.00 H new ATOM 0 HA TRP A 70 -4.619 -7.402 1.422 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.390 -4.858 2.543 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -3.544 -5.246 0.841 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -6.683 -6.422 2.262 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -8.577 -4.675 2.100 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -3.841 -2.341 1.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -8.792 -1.934 1.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -4.965 -0.189 0.729 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -7.410 0.009 0.908 1.00 0.00 H new ATOM 1121 N VAL A 71 -1.808 -7.077 3.138 1.00 0.00 N ATOM 1122 CA VAL A 71 -0.429 -7.531 3.248 1.00 0.00 C ATOM 1123 C VAL A 71 -0.388 -9.041 3.465 1.00 0.00 C ATOM 1124 O VAL A 71 0.479 -9.732 2.935 1.00 0.00 O ATOM 1125 CB VAL A 71 0.304 -6.826 4.406 1.00 0.00 C ATOM 1126 CG1 VAL A 71 1.789 -7.163 4.391 1.00 0.00 C ATOM 1127 CG2 VAL A 71 0.098 -5.319 4.333 1.00 0.00 C ATOM 0 H VAL A 71 -2.119 -6.489 3.911 1.00 0.00 H new ATOM 0 HA VAL A 71 0.078 -7.280 2.316 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.118 -7.186 5.344 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.286 -6.654 5.217 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.919 -8.240 4.497 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.227 -6.836 3.448 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.623 -4.840 5.159 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.489 -4.944 3.387 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.966 -5.094 4.400 1.00 0.00 H new ATOM 1137 N SER A 72 -1.346 -9.544 4.234 1.00 0.00 N ATOM 1138 CA SER A 72 -1.454 -10.973 4.493 1.00 0.00 C ATOM 1139 C SER A 72 -1.731 -11.737 3.197 1.00 0.00 C ATOM 1140 O SER A 72 -1.305 -12.880 3.036 1.00 0.00 O ATOM 1141 CB SER A 72 -2.566 -11.239 5.516 1.00 0.00 C ATOM 1142 OG SER A 72 -2.659 -12.618 5.841 1.00 0.00 O ATOM 0 H SER A 72 -2.062 -8.979 4.691 1.00 0.00 H new ATOM 0 HA SER A 72 -0.506 -11.324 4.901 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.373 -10.664 6.421 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.519 -10.894 5.116 1.00 0.00 H new ATOM 0 HG SER A 72 -3.376 -12.752 6.496 1.00 0.00 H new ATOM 1148 N ALA A 73 -2.438 -11.098 2.270 1.00 0.00 N ATOM 1149 CA ALA A 73 -2.718 -11.699 0.972 1.00 0.00 C ATOM 1150 C ALA A 73 -1.483 -11.652 0.082 1.00 0.00 C ATOM 1151 O ALA A 73 -1.279 -12.519 -0.766 1.00 0.00 O ATOM 1152 CB ALA A 73 -3.881 -10.985 0.297 1.00 0.00 C ATOM 0 H ALA A 73 -2.827 -10.163 2.394 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.992 -12.742 1.129 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -4.078 -11.445 -0.671 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.769 -11.064 0.924 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.629 -9.934 0.155 1.00 0.00 H new ATOM 1158 N LEU A 74 -0.657 -10.638 0.298 1.00 0.00 N ATOM 1159 CA LEU A 74 0.547 -10.436 -0.498 1.00 0.00 C ATOM 1160 C LEU A 74 1.735 -11.192 0.090 1.00 0.00 C ATOM 1161 O LEU A 74 2.822 -11.206 -0.487 1.00 0.00 O ATOM 1162 CB LEU A 74 0.857 -8.941 -0.594 1.00 0.00 C ATOM 1163 CG LEU A 74 -0.190 -8.123 -1.348 1.00 0.00 C ATOM 1164 CD1 LEU A 74 0.107 -6.641 -1.231 1.00 0.00 C ATOM 1165 CD2 LEU A 74 -0.242 -8.542 -2.810 1.00 0.00 C ATOM 0 H LEU A 74 -0.800 -9.936 1.024 1.00 0.00 H new ATOM 0 HA LEU A 74 0.369 -10.831 -1.498 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.957 -8.538 0.414 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.822 -8.814 -1.085 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.165 -8.315 -0.899 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.649 -6.074 -1.774 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.094 -6.349 -0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.090 -6.432 -1.654 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.993 -7.949 -3.332 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.733 -8.379 -3.270 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.503 -9.598 -2.877 1.00 0.00 H new ATOM 1177 N ALA A 75 1.523 -11.800 1.250 1.00 0.00 N ATOM 1178 CA ALA A 75 2.546 -12.621 1.888 1.00 0.00 C ATOM 1179 C ALA A 75 2.888 -13.826 1.023 1.00 0.00 C ATOM 1180 O ALA A 75 4.062 -14.093 0.756 1.00 0.00 O ATOM 1181 CB ALA A 75 2.081 -13.072 3.264 1.00 0.00 C ATOM 0 H ALA A 75 0.648 -11.740 1.771 1.00 0.00 H new ATOM 0 HA ALA A 75 3.446 -12.017 2.004 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.855 -13.684 3.727 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.887 -12.199 3.887 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.167 -13.657 3.165 1.00 0.00 H new ATOM 1187 N GLU A 76 1.850 -14.559 0.620 1.00 0.00 N ATOM 1188 CA GLU A 76 1.981 -15.694 -0.297 1.00 0.00 C ATOM 1189 C GLU A 76 2.828 -16.812 0.320 1.00 0.00 C ATOM 1190 O GLU A 76 3.329 -17.694 -0.380 1.00 0.00 O ATOM 1191 CB GLU A 76 2.587 -15.228 -1.628 1.00 0.00 C ATOM 1192 CG GLU A 76 2.246 -16.127 -2.802 1.00 0.00 C ATOM 1193 CD GLU A 76 0.752 -16.216 -3.031 1.00 0.00 C ATOM 1194 OE1 GLU A 76 0.198 -15.329 -3.712 1.00 0.00 O ATOM 1195 OE2 GLU A 76 0.125 -17.169 -2.530 1.00 0.00 O ATOM 0 H GLU A 76 0.891 -14.383 0.921 1.00 0.00 H new ATOM 0 HA GLU A 76 0.986 -16.098 -0.484 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.238 -14.218 -1.842 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.671 -15.175 -1.525 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.729 -15.747 -3.702 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.646 -17.125 -2.623 1.00 0.00 H new ATOM 1202 N HIS A 77 2.974 -16.782 1.639 1.00 0.00 N ATOM 1203 CA HIS A 77 3.781 -17.772 2.343 1.00 0.00 C ATOM 1204 C HIS A 77 2.939 -18.542 3.355 1.00 0.00 C ATOM 1205 O HIS A 77 2.681 -19.733 3.180 1.00 0.00 O ATOM 1206 CB HIS A 77 4.975 -17.108 3.046 1.00 0.00 C ATOM 1207 CG HIS A 77 6.102 -16.736 2.124 1.00 0.00 C ATOM 1208 ND1 HIS A 77 7.329 -16.299 2.568 1.00 0.00 N ATOM 1209 CD2 HIS A 77 6.184 -16.762 0.774 1.00 0.00 C ATOM 1210 CE1 HIS A 77 8.114 -16.069 1.532 1.00 0.00 C ATOM 1211 NE2 HIS A 77 7.444 -16.344 0.429 1.00 0.00 N ATOM 0 H HIS A 77 2.544 -16.082 2.244 1.00 0.00 H new ATOM 0 HA HIS A 77 4.162 -18.475 1.602 1.00 0.00 H new ATOM 0 HB2 HIS A 77 4.628 -16.211 3.558 1.00 0.00 H new ATOM 0 HB3 HIS A 77 5.355 -17.785 3.811 1.00 0.00 H new ATOM 0 HD1 HIS A 77 7.591 -16.172 3.546 1.00 0.00 H new ATOM 0 HD2 HIS A 77 5.400 -17.058 0.092 1.00 0.00 H new ATOM 0 HE1 HIS A 77 9.133 -15.715 1.579 1.00 0.00 H new ATOM 1220 N GLY A 78 2.493 -17.855 4.398 1.00 0.00 N ATOM 1221 CA GLY A 78 1.758 -18.517 5.462 1.00 0.00 C ATOM 1222 C GLY A 78 2.691 -19.007 6.549 1.00 0.00 C ATOM 1223 O GLY A 78 3.628 -19.758 6.264 1.00 0.00 O ATOM 0 H GLY A 78 2.626 -16.852 4.528 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.029 -17.827 5.888 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.199 -19.358 5.052 1.00 0.00 H new ATOM 1227 N LYS A 79 2.447 -18.563 7.785 1.00 0.00 N ATOM 1228 CA LYS A 79 3.336 -18.816 8.929 1.00 0.00 C ATOM 1229 C LYS A 79 4.666 -18.073 8.783 1.00 0.00 C ATOM 1230 O LYS A 79 5.204 -17.536 9.755 1.00 0.00 O ATOM 1231 CB LYS A 79 3.567 -20.317 9.150 1.00 0.00 C ATOM 1232 CG LYS A 79 2.340 -21.030 9.696 1.00 0.00 C ATOM 1233 CD LYS A 79 1.855 -20.361 10.974 1.00 0.00 C ATOM 1234 CE LYS A 79 0.585 -20.999 11.510 1.00 0.00 C ATOM 1235 NZ LYS A 79 0.058 -20.257 12.686 1.00 0.00 N ATOM 0 H LYS A 79 1.622 -18.014 8.025 1.00 0.00 H new ATOM 0 HA LYS A 79 2.832 -18.427 9.814 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.859 -20.777 8.206 1.00 0.00 H new ATOM 0 HB3 LYS A 79 4.398 -20.454 9.842 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.545 -21.020 8.950 1.00 0.00 H new ATOM 0 HG3 LYS A 79 2.578 -22.075 9.894 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.636 -20.419 11.732 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.675 -19.303 10.782 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -0.171 -21.023 10.725 1.00 0.00 H new ATOM 0 HE3 LYS A 79 0.786 -22.033 11.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -0.809 -20.718 13.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.771 -20.255 13.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -0.157 -19.277 12.411 1.00 0.00 H new ATOM 1249 N ASP A 80 5.178 -18.028 7.569 1.00 0.00 N ATOM 1250 CA ASP A 80 6.351 -17.248 7.260 1.00 0.00 C ATOM 1251 C ASP A 80 5.925 -15.818 6.986 1.00 0.00 C ATOM 1252 O ASP A 80 5.751 -15.401 5.842 1.00 0.00 O ATOM 1253 CB ASP A 80 7.103 -17.825 6.062 1.00 0.00 C ATOM 1254 CG ASP A 80 8.361 -17.044 5.745 1.00 0.00 C ATOM 1255 OD1 ASP A 80 8.273 -16.050 4.998 1.00 0.00 O ATOM 1256 OD2 ASP A 80 9.437 -17.424 6.240 1.00 0.00 O ATOM 0 H ASP A 80 4.790 -18.532 6.772 1.00 0.00 H new ATOM 0 HA ASP A 80 7.033 -17.275 8.110 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.364 -18.864 6.265 1.00 0.00 H new ATOM 0 HB3 ASP A 80 6.448 -17.825 5.190 1.00 0.00 H new ATOM 1261 N ALA A 81 5.660 -15.111 8.061 1.00 0.00 N ATOM 1262 CA ALA A 81 5.316 -13.698 7.997 1.00 0.00 C ATOM 1263 C ALA A 81 6.573 -12.841 8.058 1.00 0.00 C ATOM 1264 O ALA A 81 6.511 -11.635 8.293 1.00 0.00 O ATOM 1265 CB ALA A 81 4.363 -13.338 9.129 1.00 0.00 C ATOM 0 H ALA A 81 5.675 -15.494 9.006 1.00 0.00 H new ATOM 0 HA ALA A 81 4.816 -13.501 7.049 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.113 -12.279 9.071 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.453 -13.931 9.041 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.840 -13.546 10.087 1.00 0.00 H new ATOM 1271 N LEU A 82 7.713 -13.477 7.821 1.00 0.00 N ATOM 1272 CA LEU A 82 8.997 -12.801 7.886 1.00 0.00 C ATOM 1273 C LEU A 82 9.433 -12.346 6.503 1.00 0.00 C ATOM 1274 O LEU A 82 10.033 -11.284 6.350 1.00 0.00 O ATOM 1275 CB LEU A 82 10.053 -13.733 8.486 1.00 0.00 C ATOM 1276 CG LEU A 82 9.698 -14.322 9.854 1.00 0.00 C ATOM 1277 CD1 LEU A 82 10.765 -15.308 10.302 1.00 0.00 C ATOM 1278 CD2 LEU A 82 9.527 -13.217 10.886 1.00 0.00 C ATOM 0 H LEU A 82 7.772 -14.467 7.581 1.00 0.00 H new ATOM 0 HA LEU A 82 8.892 -11.923 8.524 1.00 0.00 H new ATOM 0 HB2 LEU A 82 10.229 -14.553 7.790 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.990 -13.184 8.576 1.00 0.00 H new ATOM 0 HG LEU A 82 8.752 -14.855 9.762 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.497 -15.717 11.276 1.00 0.00 H new ATOM 0 HD12 LEU A 82 10.840 -16.118 9.576 1.00 0.00 H new ATOM 0 HD13 LEU A 82 11.725 -14.797 10.375 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.275 -13.656 11.851 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.457 -12.655 10.975 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.727 -12.547 10.572 1.00 0.00 H new ATOM 1290 N LYS A 83 9.126 -13.151 5.493 1.00 0.00 N ATOM 1291 CA LYS A 83 9.535 -12.847 4.129 1.00 0.00 C ATOM 1292 C LYS A 83 8.356 -12.331 3.314 1.00 0.00 C ATOM 1293 O LYS A 83 8.335 -12.452 2.089 1.00 0.00 O ATOM 1294 CB LYS A 83 10.126 -14.090 3.466 1.00 0.00 C ATOM 1295 CG LYS A 83 11.171 -14.790 4.317 1.00 0.00 C ATOM 1296 CD LYS A 83 11.682 -16.055 3.654 1.00 0.00 C ATOM 1297 CE LYS A 83 12.472 -16.902 4.636 1.00 0.00 C ATOM 1298 NZ LYS A 83 13.583 -16.137 5.257 1.00 0.00 N ATOM 0 H LYS A 83 8.596 -14.017 5.593 1.00 0.00 H new ATOM 0 HA LYS A 83 10.296 -12.068 4.166 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.321 -14.791 3.243 1.00 0.00 H new ATOM 0 HB3 LYS A 83 10.575 -13.806 2.514 1.00 0.00 H new ATOM 0 HG2 LYS A 83 12.005 -14.112 4.499 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.743 -15.036 5.289 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.842 -16.631 3.265 1.00 0.00 H new ATOM 0 HD3 LYS A 83 12.312 -15.795 2.803 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.805 -17.271 5.415 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.875 -17.774 4.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 14.226 -16.793 5.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 14.106 -15.624 4.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 13.196 -15.458 5.943 1.00 0.00 H new ATOM 1312 N VAL A 84 7.373 -11.759 4.002 1.00 0.00 N ATOM 1313 CA VAL A 84 6.237 -11.134 3.336 1.00 0.00 C ATOM 1314 C VAL A 84 6.735 -10.041 2.403 1.00 0.00 C ATOM 1315 O VAL A 84 7.500 -9.174 2.817 1.00 0.00 O ATOM 1316 CB VAL A 84 5.244 -10.526 4.347 1.00 0.00 C ATOM 1317 CG1 VAL A 84 4.094 -9.828 3.632 1.00 0.00 C ATOM 1318 CG2 VAL A 84 4.719 -11.596 5.287 1.00 0.00 C ATOM 0 H VAL A 84 7.341 -11.716 5.021 1.00 0.00 H new ATOM 0 HA VAL A 84 5.714 -11.907 2.772 1.00 0.00 H new ATOM 0 HB VAL A 84 5.776 -9.779 4.936 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.409 -9.408 4.369 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.487 -9.028 3.005 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.562 -10.548 3.010 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.020 -11.149 5.993 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.209 -12.368 4.711 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.551 -12.041 5.833 1.00 0.00 H new ATOM 1328 N THR A 85 6.294 -10.096 1.152 1.00 0.00 N ATOM 1329 CA THR A 85 6.790 -9.208 0.107 1.00 0.00 C ATOM 1330 C THR A 85 6.805 -7.738 0.538 1.00 0.00 C ATOM 1331 O THR A 85 7.867 -7.175 0.790 1.00 0.00 O ATOM 1332 CB THR A 85 5.947 -9.359 -1.176 1.00 0.00 C ATOM 1333 OG1 THR A 85 4.556 -9.202 -0.863 1.00 0.00 O ATOM 1334 CG2 THR A 85 6.172 -10.718 -1.818 1.00 0.00 C ATOM 0 H THR A 85 5.584 -10.756 0.834 1.00 0.00 H new ATOM 0 HA THR A 85 7.820 -9.505 -0.088 1.00 0.00 H new ATOM 0 HB THR A 85 6.256 -8.587 -1.881 1.00 0.00 H new ATOM 0 HG1 THR A 85 4.171 -10.074 -0.635 1.00 0.00 H new ATOM 0 HG21 THR A 85 5.566 -10.799 -2.721 1.00 0.00 H new ATOM 0 HG22 THR A 85 7.225 -10.828 -2.077 1.00 0.00 H new ATOM 0 HG23 THR A 85 5.886 -11.503 -1.118 1.00 0.00 H new ATOM 1342 N ALA A 86 5.629 -7.134 0.644 1.00 0.00 N ATOM 1343 CA ALA A 86 5.514 -5.711 0.959 1.00 0.00 C ATOM 1344 C ALA A 86 6.097 -5.373 2.329 1.00 0.00 C ATOM 1345 O ALA A 86 6.508 -4.240 2.576 1.00 0.00 O ATOM 1346 CB ALA A 86 4.059 -5.277 0.891 1.00 0.00 C ATOM 0 H ALA A 86 4.735 -7.608 0.516 1.00 0.00 H new ATOM 0 HA ALA A 86 6.094 -5.166 0.215 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.985 -4.216 1.127 1.00 0.00 H new ATOM 0 HB2 ALA A 86 3.673 -5.453 -0.113 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.474 -5.851 1.610 1.00 0.00 H new ATOM 1352 N LEU A 87 6.167 -6.367 3.200 1.00 0.00 N ATOM 1353 CA LEU A 87 6.611 -6.149 4.568 1.00 0.00 C ATOM 1354 C LEU A 87 8.132 -6.114 4.615 1.00 0.00 C ATOM 1355 O LEU A 87 8.727 -5.185 5.164 1.00 0.00 O ATOM 1356 CB LEU A 87 6.058 -7.254 5.488 1.00 0.00 C ATOM 1357 CG LEU A 87 5.906 -6.891 6.975 1.00 0.00 C ATOM 1358 CD1 LEU A 87 7.258 -6.668 7.636 1.00 0.00 C ATOM 1359 CD2 LEU A 87 5.026 -5.656 7.129 1.00 0.00 C ATOM 0 H LEU A 87 5.922 -7.333 2.984 1.00 0.00 H new ATOM 0 HA LEU A 87 6.231 -5.191 4.922 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.082 -7.558 5.109 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.714 -8.121 5.413 1.00 0.00 H new ATOM 0 HG LEU A 87 5.428 -7.732 7.478 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.112 -6.413 8.686 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.853 -7.578 7.563 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.778 -5.853 7.134 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.926 -5.410 8.186 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.481 -4.817 6.602 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.040 -5.857 6.709 1.00 0.00 H new ATOM 1371 N LYS A 88 8.757 -7.115 4.016 1.00 0.00 N ATOM 1372 CA LYS A 88 10.207 -7.208 4.012 1.00 0.00 C ATOM 1373 C LYS A 88 10.803 -6.109 3.137 1.00 0.00 C ATOM 1374 O LYS A 88 11.902 -5.638 3.400 1.00 0.00 O ATOM 1375 CB LYS A 88 10.666 -8.598 3.546 1.00 0.00 C ATOM 1376 CG LYS A 88 12.162 -8.837 3.717 1.00 0.00 C ATOM 1377 CD LYS A 88 12.527 -10.306 3.562 1.00 0.00 C ATOM 1378 CE LYS A 88 14.025 -10.528 3.756 1.00 0.00 C ATOM 1379 NZ LYS A 88 14.382 -11.973 3.788 1.00 0.00 N ATOM 0 H LYS A 88 8.283 -7.874 3.527 1.00 0.00 H new ATOM 0 HA LYS A 88 10.567 -7.067 5.031 1.00 0.00 H new ATOM 0 HB2 LYS A 88 10.119 -9.358 4.104 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.404 -8.724 2.495 1.00 0.00 H new ATOM 0 HG2 LYS A 88 12.709 -8.248 2.981 1.00 0.00 H new ATOM 0 HG3 LYS A 88 12.475 -8.488 4.701 1.00 0.00 H new ATOM 0 HD2 LYS A 88 11.972 -10.900 4.288 1.00 0.00 H new ATOM 0 HD3 LYS A 88 12.231 -10.654 2.573 1.00 0.00 H new ATOM 0 HE2 LYS A 88 14.570 -10.039 2.949 1.00 0.00 H new ATOM 0 HE3 LYS A 88 14.343 -10.057 4.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 15.408 -12.074 3.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 13.883 -12.436 4.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 14.104 -12.419 2.891 1.00 0.00 H new ATOM 1393 N LYS A 89 10.059 -5.682 2.115 1.00 0.00 N ATOM 1394 CA LYS A 89 10.493 -4.554 1.288 1.00 0.00 C ATOM 1395 C LYS A 89 10.583 -3.295 2.132 1.00 0.00 C ATOM 1396 O LYS A 89 11.616 -2.630 2.164 1.00 0.00 O ATOM 1397 CB LYS A 89 9.528 -4.304 0.122 1.00 0.00 C ATOM 1398 CG LYS A 89 9.458 -5.427 -0.899 1.00 0.00 C ATOM 1399 CD LYS A 89 8.460 -5.095 -2.000 1.00 0.00 C ATOM 1400 CE LYS A 89 8.116 -6.314 -2.843 1.00 0.00 C ATOM 1401 NZ LYS A 89 9.317 -6.936 -3.459 1.00 0.00 N ATOM 0 H LYS A 89 9.166 -6.093 1.843 1.00 0.00 H new ATOM 0 HA LYS A 89 11.472 -4.805 0.880 1.00 0.00 H new ATOM 0 HB2 LYS A 89 8.529 -4.136 0.525 1.00 0.00 H new ATOM 0 HB3 LYS A 89 9.825 -3.387 -0.387 1.00 0.00 H new ATOM 0 HG2 LYS A 89 10.444 -5.592 -1.333 1.00 0.00 H new ATOM 0 HG3 LYS A 89 9.168 -6.355 -0.406 1.00 0.00 H new ATOM 0 HD2 LYS A 89 7.550 -4.693 -1.555 1.00 0.00 H new ATOM 0 HD3 LYS A 89 8.873 -4.316 -2.641 1.00 0.00 H new ATOM 0 HE2 LYS A 89 7.608 -7.051 -2.221 1.00 0.00 H new ATOM 0 HE3 LYS A 89 7.418 -6.024 -3.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 9.021 -7.675 -4.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 9.863 -6.210 -3.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 9.909 -7.359 -2.716 1.00 0.00 H new ATOM 1415 N TYR A 90 9.500 -2.990 2.831 1.00 0.00 N ATOM 1416 CA TYR A 90 9.426 -1.786 3.641 1.00 0.00 C ATOM 1417 C TYR A 90 10.447 -1.839 4.773 1.00 0.00 C ATOM 1418 O TYR A 90 11.137 -0.863 5.048 1.00 0.00 O ATOM 1419 CB TYR A 90 8.012 -1.637 4.207 1.00 0.00 C ATOM 1420 CG TYR A 90 7.627 -0.216 4.556 1.00 0.00 C ATOM 1421 CD1 TYR A 90 7.837 0.819 3.653 1.00 0.00 C ATOM 1422 CD2 TYR A 90 7.042 0.088 5.779 1.00 0.00 C ATOM 1423 CE1 TYR A 90 7.477 2.117 3.961 1.00 0.00 C ATOM 1424 CE2 TYR A 90 6.675 1.383 6.091 1.00 0.00 C ATOM 1425 CZ TYR A 90 6.895 2.393 5.179 1.00 0.00 C ATOM 1426 OH TYR A 90 6.526 3.684 5.479 1.00 0.00 O ATOM 0 H TYR A 90 8.657 -3.564 2.853 1.00 0.00 H new ATOM 0 HA TYR A 90 9.656 -0.923 3.016 1.00 0.00 H new ATOM 0 HB2 TYR A 90 7.299 -2.026 3.480 1.00 0.00 H new ATOM 0 HB3 TYR A 90 7.924 -2.255 5.101 1.00 0.00 H new ATOM 0 HD1 TYR A 90 8.289 0.606 2.695 1.00 0.00 H new ATOM 0 HD2 TYR A 90 6.871 -0.700 6.497 1.00 0.00 H new ATOM 0 HE1 TYR A 90 7.651 2.911 3.250 1.00 0.00 H new ATOM 0 HE2 TYR A 90 6.218 1.603 7.045 1.00 0.00 H new ATOM 0 HH TYR A 90 6.129 3.711 6.375 1.00 0.00 H new ATOM 1436 N ARG A 91 10.559 -2.999 5.402 1.00 0.00 N ATOM 1437 CA ARG A 91 11.434 -3.167 6.551 1.00 0.00 C ATOM 1438 C ARG A 91 12.907 -3.116 6.139 1.00 0.00 C ATOM 1439 O ARG A 91 13.730 -2.508 6.825 1.00 0.00 O ATOM 1440 CB ARG A 91 11.117 -4.493 7.243 1.00 0.00 C ATOM 1441 CG ARG A 91 11.578 -4.563 8.687 1.00 0.00 C ATOM 1442 CD ARG A 91 11.073 -5.831 9.359 1.00 0.00 C ATOM 1443 NE ARG A 91 11.297 -5.819 10.804 1.00 0.00 N ATOM 1444 CZ ARG A 91 10.401 -6.238 11.699 1.00 0.00 C ATOM 1445 NH1 ARG A 91 9.225 -6.717 11.296 1.00 0.00 N ATOM 1446 NH2 ARG A 91 10.690 -6.183 12.993 1.00 0.00 N ATOM 0 H ARG A 91 10.051 -3.842 5.134 1.00 0.00 H new ATOM 0 HA ARG A 91 11.259 -2.345 7.245 1.00 0.00 H new ATOM 0 HB2 ARG A 91 10.041 -4.661 7.208 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.584 -5.303 6.684 1.00 0.00 H new ATOM 0 HG2 ARG A 91 12.667 -4.535 8.727 1.00 0.00 H new ATOM 0 HG3 ARG A 91 11.217 -3.690 9.231 1.00 0.00 H new ATOM 0 HD2 ARG A 91 10.008 -5.946 9.159 1.00 0.00 H new ATOM 0 HD3 ARG A 91 11.574 -6.695 8.923 1.00 0.00 H new ATOM 0 HE ARG A 91 12.191 -5.470 11.148 1.00 0.00 H new ATOM 0 HH11 ARG A 91 9.008 -6.764 10.301 1.00 0.00 H new ATOM 0 HH12 ARG A 91 8.542 -7.037 11.983 1.00 0.00 H new ATOM 0 HH21 ARG A 91 11.593 -5.822 13.299 1.00 0.00 H new ATOM 0 HH22 ARG A 91 10.009 -6.502 13.682 1.00 0.00 H new ATOM 1460 N GLN A 92 13.228 -3.736 5.006 1.00 0.00 N ATOM 1461 CA GLN A 92 14.603 -3.780 4.518 1.00 0.00 C ATOM 1462 C GLN A 92 15.017 -2.430 3.936 1.00 0.00 C ATOM 1463 O GLN A 92 16.176 -2.035 4.031 1.00 0.00 O ATOM 1464 CB GLN A 92 14.756 -4.873 3.452 1.00 0.00 C ATOM 1465 CG GLN A 92 16.154 -4.970 2.856 1.00 0.00 C ATOM 1466 CD GLN A 92 17.190 -5.419 3.865 1.00 0.00 C ATOM 1467 OE1 GLN A 92 17.467 -6.610 4.001 1.00 0.00 O ATOM 1468 NE2 GLN A 92 17.771 -4.471 4.581 1.00 0.00 N ATOM 0 H GLN A 92 12.554 -4.215 4.409 1.00 0.00 H new ATOM 0 HA GLN A 92 15.253 -4.010 5.362 1.00 0.00 H new ATOM 0 HB2 GLN A 92 14.493 -5.835 3.893 1.00 0.00 H new ATOM 0 HB3 GLN A 92 14.043 -4.685 2.649 1.00 0.00 H new ATOM 0 HG2 GLN A 92 16.140 -5.669 2.020 1.00 0.00 H new ATOM 0 HG3 GLN A 92 16.441 -3.998 2.454 1.00 0.00 H new ATOM 0 HE21 GLN A 92 17.514 -3.494 4.439 1.00 0.00 H new ATOM 0 HE22 GLN A 92 18.476 -4.717 5.276 1.00 0.00 H new ATOM 1477 N LEU A 93 14.060 -1.726 3.339 1.00 0.00 N ATOM 1478 CA LEU A 93 14.324 -0.430 2.723 1.00 0.00 C ATOM 1479 C LEU A 93 14.738 0.612 3.768 1.00 0.00 C ATOM 1480 O LEU A 93 15.399 1.602 3.447 1.00 0.00 O ATOM 1481 CB LEU A 93 13.083 0.032 1.945 1.00 0.00 C ATOM 1482 CG LEU A 93 13.160 1.436 1.338 1.00 0.00 C ATOM 1483 CD1 LEU A 93 14.243 1.500 0.269 1.00 0.00 C ATOM 1484 CD2 LEU A 93 11.808 1.837 0.763 1.00 0.00 C ATOM 0 H LEU A 93 13.090 -2.033 3.269 1.00 0.00 H new ATOM 0 HA LEU A 93 15.158 -0.537 2.030 1.00 0.00 H new ATOM 0 HB2 LEU A 93 12.895 -0.681 1.142 1.00 0.00 H new ATOM 0 HB3 LEU A 93 12.223 -0.007 2.614 1.00 0.00 H new ATOM 0 HG LEU A 93 13.422 2.142 2.126 1.00 0.00 H new ATOM 0 HD11 LEU A 93 14.282 2.506 -0.150 1.00 0.00 H new ATOM 0 HD12 LEU A 93 15.208 1.255 0.713 1.00 0.00 H new ATOM 0 HD13 LEU A 93 14.016 0.786 -0.522 1.00 0.00 H new ATOM 0 HD21 LEU A 93 11.877 2.837 0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 93 11.518 1.129 -0.013 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.060 1.832 1.556 1.00 0.00 H new ATOM 1496 N LEU A 94 14.361 0.382 5.019 1.00 0.00 N ATOM 1497 CA LEU A 94 14.757 1.270 6.109 1.00 0.00 C ATOM 1498 C LEU A 94 16.162 0.932 6.602 1.00 0.00 C ATOM 1499 O LEU A 94 16.752 1.675 7.389 1.00 0.00 O ATOM 1500 CB LEU A 94 13.752 1.198 7.265 1.00 0.00 C ATOM 1501 CG LEU A 94 12.577 2.183 7.188 1.00 0.00 C ATOM 1502 CD1 LEU A 94 11.728 1.946 5.948 1.00 0.00 C ATOM 1503 CD2 LEU A 94 11.723 2.082 8.442 1.00 0.00 C ATOM 0 H LEU A 94 13.784 -0.408 5.306 1.00 0.00 H new ATOM 0 HA LEU A 94 14.764 2.290 5.724 1.00 0.00 H new ATOM 0 HB2 LEU A 94 13.351 0.186 7.311 1.00 0.00 H new ATOM 0 HB3 LEU A 94 14.287 1.372 8.199 1.00 0.00 H new ATOM 0 HG LEU A 94 12.990 3.189 7.118 1.00 0.00 H new ATOM 0 HD11 LEU A 94 10.906 2.662 5.928 1.00 0.00 H new ATOM 0 HD12 LEU A 94 12.342 2.073 5.057 1.00 0.00 H new ATOM 0 HD13 LEU A 94 11.326 0.933 5.970 1.00 0.00 H new ATOM 0 HD21 LEU A 94 10.893 2.786 8.375 1.00 0.00 H new ATOM 0 HD22 LEU A 94 11.333 1.069 8.536 1.00 0.00 H new ATOM 0 HD23 LEU A 94 12.330 2.319 9.316 1.00 0.00 H new ATOM 1515 N GLU A 95 16.700 -0.184 6.131 1.00 0.00 N ATOM 1516 CA GLU A 95 18.051 -0.586 6.492 1.00 0.00 C ATOM 1517 C GLU A 95 19.013 -0.280 5.358 1.00 0.00 C ATOM 1518 O GLU A 95 18.733 -0.574 4.199 1.00 0.00 O ATOM 1519 CB GLU A 95 18.121 -2.084 6.792 1.00 0.00 C ATOM 1520 CG GLU A 95 17.270 -2.541 7.959 1.00 0.00 C ATOM 1521 CD GLU A 95 17.467 -4.015 8.247 1.00 0.00 C ATOM 1522 OE1 GLU A 95 18.384 -4.354 9.029 1.00 0.00 O ATOM 1523 OE2 GLU A 95 16.723 -4.844 7.684 1.00 0.00 O ATOM 0 H GLU A 95 16.222 -0.826 5.499 1.00 0.00 H new ATOM 0 HA GLU A 95 18.329 -0.026 7.384 1.00 0.00 H new ATOM 0 HB2 GLU A 95 17.815 -2.633 5.901 1.00 0.00 H new ATOM 0 HB3 GLU A 95 19.159 -2.352 6.991 1.00 0.00 H new ATOM 0 HG2 GLU A 95 17.523 -1.959 8.845 1.00 0.00 H new ATOM 0 HG3 GLU A 95 16.219 -2.349 7.741 1.00 0.00 H new ATOM 1530 N HIS A 96 20.154 0.295 5.690 1.00 0.00 N ATOM 1531 CA HIS A 96 21.211 0.510 4.710 1.00 0.00 C ATOM 1532 C HIS A 96 22.116 -0.717 4.664 1.00 0.00 C ATOM 1533 O HIS A 96 23.337 -0.615 4.540 1.00 0.00 O ATOM 1534 CB HIS A 96 22.010 1.771 5.052 1.00 0.00 C ATOM 1535 CG HIS A 96 21.186 3.021 4.994 1.00 0.00 C ATOM 1536 ND1 HIS A 96 21.056 3.891 6.053 1.00 0.00 N ATOM 1537 CD2 HIS A 96 20.437 3.539 3.993 1.00 0.00 C ATOM 1538 CE1 HIS A 96 20.258 4.886 5.708 1.00 0.00 C ATOM 1539 NE2 HIS A 96 19.870 4.697 4.463 1.00 0.00 N ATOM 0 H HIS A 96 20.376 0.623 6.630 1.00 0.00 H new ATOM 0 HA HIS A 96 20.768 0.656 3.725 1.00 0.00 H new ATOM 0 HB2 HIS A 96 22.432 1.667 6.052 1.00 0.00 H new ATOM 0 HB3 HIS A 96 22.848 1.862 4.360 1.00 0.00 H new ATOM 0 HD2 HIS A 96 20.309 3.119 3.006 1.00 0.00 H new ATOM 0 HE1 HIS A 96 19.972 5.714 6.340 1.00 0.00 H new ATOM 0 HE2 HIS A 96 19.250 5.311 3.935 1.00 0.00 H new ATOM 1548 N HIS A 97 21.484 -1.882 4.747 1.00 0.00 N ATOM 1549 CA HIS A 97 22.178 -3.161 4.780 1.00 0.00 C ATOM 1550 C HIS A 97 22.597 -3.570 3.370 1.00 0.00 C ATOM 1551 O HIS A 97 21.893 -3.283 2.399 1.00 0.00 O ATOM 1552 CB HIS A 97 21.251 -4.217 5.397 1.00 0.00 C ATOM 1553 CG HIS A 97 21.893 -5.549 5.650 1.00 0.00 C ATOM 1554 ND1 HIS A 97 21.864 -6.585 4.743 1.00 0.00 N ATOM 1555 CD2 HIS A 97 22.571 -6.014 6.726 1.00 0.00 C ATOM 1556 CE1 HIS A 97 22.494 -7.626 5.246 1.00 0.00 C ATOM 1557 NE2 HIS A 97 22.935 -7.307 6.448 1.00 0.00 N ATOM 0 H HIS A 97 20.468 -1.965 4.794 1.00 0.00 H new ATOM 0 HA HIS A 97 23.079 -3.075 5.388 1.00 0.00 H new ATOM 0 HB2 HIS A 97 20.862 -3.832 6.340 1.00 0.00 H new ATOM 0 HB3 HIS A 97 20.397 -4.361 4.735 1.00 0.00 H new ATOM 0 HD2 HIS A 97 22.785 -5.469 7.633 1.00 0.00 H new ATOM 0 HE1 HIS A 97 22.627 -8.580 4.757 1.00 0.00 H new ATOM 0 HE2 HIS A 97 23.461 -7.922 7.069 1.00 0.00 H new ATOM 1566 N HIS A 98 23.743 -4.230 3.265 1.00 0.00 N ATOM 1567 CA HIS A 98 24.258 -4.692 1.979 1.00 0.00 C ATOM 1568 C HIS A 98 23.340 -5.749 1.372 1.00 0.00 C ATOM 1569 O HIS A 98 23.161 -6.827 1.940 1.00 0.00 O ATOM 1570 CB HIS A 98 25.672 -5.271 2.129 1.00 0.00 C ATOM 1571 CG HIS A 98 26.737 -4.247 2.387 1.00 0.00 C ATOM 1572 ND1 HIS A 98 27.825 -4.076 1.560 1.00 0.00 N ATOM 1573 CD2 HIS A 98 26.889 -3.351 3.391 1.00 0.00 C ATOM 1574 CE1 HIS A 98 28.597 -3.124 2.044 1.00 0.00 C ATOM 1575 NE2 HIS A 98 28.053 -2.667 3.154 1.00 0.00 N ATOM 0 H HIS A 98 24.339 -4.460 4.060 1.00 0.00 H new ATOM 0 HA HIS A 98 24.296 -3.829 1.314 1.00 0.00 H new ATOM 0 HB2 HIS A 98 25.672 -5.991 2.947 1.00 0.00 H new ATOM 0 HB3 HIS A 98 25.925 -5.820 1.222 1.00 0.00 H new ATOM 0 HD2 HIS A 98 26.218 -3.203 4.224 1.00 0.00 H new ATOM 0 HE1 HIS A 98 29.520 -2.777 1.605 1.00 0.00 H new ATOM 0 HE2 HIS A 98 28.436 -1.926 3.741 1.00 0.00 H new ATOM 1584 N HIS A 99 22.741 -5.424 0.232 1.00 0.00 N ATOM 1585 CA HIS A 99 21.915 -6.386 -0.490 1.00 0.00 C ATOM 1586 C HIS A 99 22.781 -7.529 -1.009 1.00 0.00 C ATOM 1587 O HIS A 99 23.866 -7.301 -1.548 1.00 0.00 O ATOM 1588 CB HIS A 99 21.152 -5.716 -1.653 1.00 0.00 C ATOM 1589 CG HIS A 99 22.017 -5.226 -2.783 1.00 0.00 C ATOM 1590 ND1 HIS A 99 22.069 -5.837 -4.019 1.00 0.00 N ATOM 1591 CD2 HIS A 99 22.856 -4.165 -2.861 1.00 0.00 C ATOM 1592 CE1 HIS A 99 22.899 -5.176 -4.802 1.00 0.00 C ATOM 1593 NE2 HIS A 99 23.388 -4.157 -4.126 1.00 0.00 N ATOM 0 H HIS A 99 22.811 -4.508 -0.211 1.00 0.00 H new ATOM 0 HA HIS A 99 21.174 -6.784 0.203 1.00 0.00 H new ATOM 0 HB2 HIS A 99 20.429 -6.428 -2.051 1.00 0.00 H new ATOM 0 HB3 HIS A 99 20.585 -4.873 -1.258 1.00 0.00 H new ATOM 0 HD1 HIS A 99 21.546 -6.671 -4.286 1.00 0.00 H new ATOM 0 HD2 HIS A 99 23.067 -3.457 -2.073 1.00 0.00 H new ATOM 0 HE1 HIS A 99 23.137 -5.428 -5.825 1.00 0.00 H new ATOM 1602 N HIS A 100 22.305 -8.754 -0.835 1.00 0.00 N ATOM 1603 CA HIS A 100 23.049 -9.923 -1.283 1.00 0.00 C ATOM 1604 C HIS A 100 22.806 -10.149 -2.771 1.00 0.00 C ATOM 1605 O HIS A 100 22.093 -11.078 -3.151 1.00 0.00 O ATOM 1606 CB HIS A 100 22.647 -11.179 -0.490 1.00 0.00 C ATOM 1607 CG HIS A 100 22.727 -11.028 1.003 1.00 0.00 C ATOM 1608 ND1 HIS A 100 23.884 -11.223 1.723 1.00 0.00 N ATOM 1609 CD2 HIS A 100 21.770 -10.722 1.911 1.00 0.00 C ATOM 1610 CE1 HIS A 100 23.634 -11.044 3.008 1.00 0.00 C ATOM 1611 NE2 HIS A 100 22.359 -10.739 3.151 1.00 0.00 N ATOM 0 H HIS A 100 21.412 -8.964 -0.389 1.00 0.00 H new ATOM 0 HA HIS A 100 24.109 -9.739 -1.109 1.00 0.00 H new ATOM 0 HB2 HIS A 100 21.627 -11.452 -0.760 1.00 0.00 H new ATOM 0 HB3 HIS A 100 23.290 -12.005 -0.793 1.00 0.00 H new ATOM 0 HD2 HIS A 100 20.734 -10.505 1.699 1.00 0.00 H new ATOM 0 HE1 HIS A 100 24.354 -11.133 3.808 1.00 0.00 H new ATOM 0 HE2 HIS A 100 21.889 -10.548 4.036 1.00 0.00 H new ATOM 1620 N HIS A 101 23.387 -9.271 -3.598 1.00 0.00 N ATOM 1621 CA HIS A 101 23.172 -9.289 -5.047 1.00 0.00 C ATOM 1622 C HIS A 101 21.684 -9.115 -5.358 1.00 0.00 C ATOM 1623 O HIS A 101 20.995 -10.130 -5.577 1.00 0.00 O ATOM 1624 CB HIS A 101 23.716 -10.585 -5.670 1.00 0.00 C ATOM 1625 CG HIS A 101 23.445 -10.724 -7.142 1.00 0.00 C ATOM 1626 ND1 HIS A 101 22.592 -11.677 -7.657 1.00 0.00 N ATOM 1627 CD2 HIS A 101 23.912 -10.030 -8.206 1.00 0.00 C ATOM 1628 CE1 HIS A 101 22.549 -11.563 -8.971 1.00 0.00 C ATOM 1629 NE2 HIS A 101 23.338 -10.572 -9.329 1.00 0.00 N ATOM 1630 OXT HIS A 101 21.214 -7.956 -5.351 1.00 0.00 O ATOM 0 H HIS A 101 24.016 -8.533 -3.282 1.00 0.00 H new ATOM 0 HA HIS A 101 23.720 -8.457 -5.489 1.00 0.00 H new ATOM 0 HB2 HIS A 101 24.792 -10.630 -5.505 1.00 0.00 H new ATOM 0 HB3 HIS A 101 23.278 -11.437 -5.150 1.00 0.00 H new ATOM 0 HD2 HIS A 101 24.607 -9.204 -8.177 1.00 0.00 H new ATOM 0 HE1 HIS A 101 21.965 -12.179 -9.639 1.00 0.00 H new ATOM 0 HE2 HIS A 101 23.497 -10.258 -10.286 1.00 0.00 H new TER 1639 HIS A 101