USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 612 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 60 GLN : amide:sc= -2.56! K(o=-3.6!,f=-1) USER MOD Set 1.2: A 68 GLN : amide:sc= -0.999 K(o=-3.6,f=-2.1) USER MOD Set 2.1: A 34 SER OG : rot 79:sc= 1.34 USER MOD Set 2.2: A 39 TYR OH : rot 49:sc= 0.319 USER MOD Single : A 6 LYS NZ :NH3+ 147:sc= -0.443 (180deg=-1.99!) USER MOD Single : A 16 THR OG1 : rot 75:sc= 0.192 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -1.28 K(o=-1.3,f=-5.2!) USER MOD Single : A 28 TYR OH : rot 30:sc= -0.272 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -1.16 X(o=-1.2,f=-0.81) USER MOD Single : A 35 GLN : amide:sc= -0.166 X(o=-0.17,f=-0.52) USER MOD Single : A 40 ASN : amide:sc= 1.12 K(o=1.1,f=-0.075) USER MOD Single : A 42 LYS NZ :NH3+ 156:sc= 0.693 (180deg=0.152) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.0794 K(o=-0.079,f=-3.9!) USER MOD Single : A 53 THR OG1 : rot 73:sc= 1.25 USER MOD Single : A 58 TYR OH : rot 100:sc= -1.57! USER MOD Single : A 61 SER OG : rot 180:sc= -0.291 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N LYS A 6 -7.722 -9.849 -1.739 1.00 0.00 N ATOM 78 CA LYS A 6 -6.498 -9.918 -1.024 1.00 0.00 C ATOM 79 C LYS A 6 -5.609 -8.806 -1.502 1.00 0.00 C ATOM 80 O LYS A 6 -5.380 -8.637 -2.708 1.00 0.00 O ATOM 81 CB LYS A 6 -5.855 -11.311 -1.139 1.00 0.00 C ATOM 82 CG LYS A 6 -6.664 -12.378 -0.390 1.00 0.00 C ATOM 83 CD LYS A 6 -6.099 -13.802 -0.497 1.00 0.00 C ATOM 84 CE LYS A 6 -6.413 -14.502 -1.828 1.00 0.00 C ATOM 85 NZ LYS A 6 -5.681 -13.953 -2.992 1.00 0.00 N ATOM 0 HA LYS A 6 -6.673 -9.780 0.043 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -5.774 -11.588 -2.190 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -4.841 -11.277 -0.740 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -6.718 -12.101 0.663 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.684 -12.377 -0.773 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.018 -13.763 -0.365 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.499 -14.402 0.320 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.177 -15.562 -1.732 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.484 -14.430 -2.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.479 -14.718 -3.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.262 -13.226 -3.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.787 -13.529 -2.671 1.00 0.00 H new ATOM 99 N LEU A 7 -5.163 -8.030 -0.578 1.00 0.00 N ATOM 100 CA LEU A 7 -4.445 -6.824 -0.864 1.00 0.00 C ATOM 101 C LEU A 7 -2.986 -7.107 -1.165 1.00 0.00 C ATOM 102 O LEU A 7 -2.203 -7.433 -0.278 1.00 0.00 O ATOM 103 CB LEU A 7 -4.596 -5.865 0.309 1.00 0.00 C ATOM 104 CG LEU A 7 -6.043 -5.572 0.736 1.00 0.00 C ATOM 105 CD1 LEU A 7 -6.068 -4.683 1.951 1.00 0.00 C ATOM 106 CD2 LEU A 7 -6.844 -4.944 -0.401 1.00 0.00 C ATOM 0 H LEU A 7 -5.286 -8.213 0.418 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.864 -6.362 -1.758 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.058 -6.275 1.164 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.113 -4.923 0.051 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.512 -6.523 0.989 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.101 -4.487 2.237 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.551 -5.177 2.774 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.570 -3.741 1.723 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.862 -4.750 -0.065 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.376 -4.006 -0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.866 -5.627 -1.251 1.00 0.00 H new ATOM 118 N VAL A 8 -2.648 -7.034 -2.419 1.00 0.00 N ATOM 119 CA VAL A 8 -1.294 -7.239 -2.865 1.00 0.00 C ATOM 120 C VAL A 8 -0.801 -5.951 -3.500 1.00 0.00 C ATOM 121 O VAL A 8 -1.473 -5.390 -4.377 1.00 0.00 O ATOM 122 CB VAL A 8 -1.209 -8.398 -3.897 1.00 0.00 C ATOM 123 CG1 VAL A 8 0.229 -8.656 -4.318 1.00 0.00 C ATOM 124 CG2 VAL A 8 -1.831 -9.666 -3.334 1.00 0.00 C ATOM 0 H VAL A 8 -3.307 -6.829 -3.170 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.674 -7.510 -2.011 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.771 -8.097 -4.781 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.256 -9.472 -5.040 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.642 -7.756 -4.772 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.821 -8.926 -3.444 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.761 -10.465 -4.073 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.300 -9.961 -2.429 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.879 -9.483 -3.096 1.00 0.00 H new ATOM 134 N LEU A 9 0.325 -5.469 -3.046 1.00 0.00 N ATOM 135 CA LEU A 9 0.897 -4.236 -3.551 1.00 0.00 C ATOM 136 C LEU A 9 2.039 -4.536 -4.500 1.00 0.00 C ATOM 137 O LEU A 9 2.835 -5.444 -4.246 1.00 0.00 O ATOM 138 CB LEU A 9 1.424 -3.373 -2.396 1.00 0.00 C ATOM 139 CG LEU A 9 0.406 -2.921 -1.343 1.00 0.00 C ATOM 140 CD1 LEU A 9 1.095 -2.087 -0.275 1.00 0.00 C ATOM 141 CD2 LEU A 9 -0.726 -2.129 -1.982 1.00 0.00 C ATOM 0 H LEU A 9 0.877 -5.916 -2.314 1.00 0.00 H new ATOM 0 HA LEU A 9 0.113 -3.694 -4.080 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.211 -3.931 -1.888 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.888 -2.483 -2.822 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.023 -3.809 -0.879 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.363 -1.771 0.468 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.869 -2.683 0.209 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.548 -1.209 -0.735 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.434 -1.821 -1.213 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.319 -1.246 -2.475 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.237 -2.752 -2.716 1.00 0.00 H new ATOM 153 N ASP A 10 2.106 -3.797 -5.590 1.00 0.00 N ATOM 154 CA ASP A 10 3.212 -3.915 -6.535 1.00 0.00 C ATOM 155 C ASP A 10 4.287 -2.948 -6.089 1.00 0.00 C ATOM 156 O ASP A 10 4.133 -1.724 -6.220 1.00 0.00 O ATOM 157 CB ASP A 10 2.781 -3.561 -7.966 1.00 0.00 C ATOM 158 CG ASP A 10 3.844 -3.908 -9.017 1.00 0.00 C ATOM 159 OD1 ASP A 10 4.923 -3.295 -9.034 1.00 0.00 O ATOM 160 OD2 ASP A 10 3.593 -4.813 -9.852 1.00 0.00 O ATOM 0 H ASP A 10 1.405 -3.103 -5.849 1.00 0.00 H new ATOM 0 HA ASP A 10 3.568 -4.945 -6.546 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.858 -4.090 -8.203 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.560 -2.495 -8.019 1.00 0.00 H new ATOM 165 N LEU A 11 5.350 -3.474 -5.562 1.00 0.00 N ATOM 166 CA LEU A 11 6.402 -2.665 -4.981 1.00 0.00 C ATOM 167 C LEU A 11 7.245 -1.983 -6.042 1.00 0.00 C ATOM 168 O LEU A 11 7.850 -0.935 -5.785 1.00 0.00 O ATOM 169 CB LEU A 11 7.271 -3.502 -4.054 1.00 0.00 C ATOM 170 CG LEU A 11 6.557 -4.145 -2.863 1.00 0.00 C ATOM 171 CD1 LEU A 11 7.518 -5.007 -2.082 1.00 0.00 C ATOM 172 CD2 LEU A 11 5.939 -3.087 -1.959 1.00 0.00 C ATOM 0 H LEU A 11 5.522 -4.478 -5.518 1.00 0.00 H new ATOM 0 HA LEU A 11 5.924 -1.879 -4.395 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.738 -4.292 -4.642 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.074 -2.871 -3.673 1.00 0.00 H new ATOM 0 HG LEU A 11 5.752 -4.772 -3.247 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.998 -5.459 -1.237 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.910 -5.792 -2.728 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.341 -4.394 -1.715 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.438 -3.572 -1.121 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.721 -2.428 -1.582 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.214 -2.502 -2.526 1.00 0.00 H new ATOM 184 N GLU A 12 7.236 -2.530 -7.239 1.00 0.00 N ATOM 185 CA GLU A 12 8.005 -1.970 -8.324 1.00 0.00 C ATOM 186 C GLU A 12 7.309 -0.739 -8.843 1.00 0.00 C ATOM 187 O GLU A 12 7.950 0.261 -9.174 1.00 0.00 O ATOM 188 CB GLU A 12 8.173 -2.959 -9.447 1.00 0.00 C ATOM 189 CG GLU A 12 8.855 -4.240 -9.050 1.00 0.00 C ATOM 190 CD GLU A 12 9.105 -5.122 -10.228 1.00 0.00 C ATOM 191 OE1 GLU A 12 8.165 -5.798 -10.699 1.00 0.00 O ATOM 192 OE2 GLU A 12 10.255 -5.167 -10.711 1.00 0.00 O ATOM 0 H GLU A 12 6.702 -3.364 -7.483 1.00 0.00 H new ATOM 0 HA GLU A 12 8.995 -1.715 -7.945 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.191 -3.196 -9.856 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.746 -2.489 -10.246 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.801 -4.011 -8.560 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.239 -4.770 -8.323 1.00 0.00 H new ATOM 199 N ARG A 13 5.993 -0.810 -8.906 1.00 0.00 N ATOM 200 CA ARG A 13 5.187 0.318 -9.315 1.00 0.00 C ATOM 201 C ARG A 13 5.273 1.381 -8.238 1.00 0.00 C ATOM 202 O ARG A 13 5.304 2.577 -8.517 1.00 0.00 O ATOM 203 CB ARG A 13 3.727 -0.091 -9.490 1.00 0.00 C ATOM 204 CG ARG A 13 2.947 0.831 -10.412 1.00 0.00 C ATOM 205 CD ARG A 13 3.429 0.656 -11.850 1.00 0.00 C ATOM 206 NE ARG A 13 3.188 -0.721 -12.310 1.00 0.00 N ATOM 207 CZ ARG A 13 4.130 -1.622 -12.636 1.00 0.00 C ATOM 208 NH1 ARG A 13 5.414 -1.289 -12.675 1.00 0.00 N ATOM 209 NH2 ARG A 13 3.777 -2.854 -12.948 1.00 0.00 N ATOM 0 H ARG A 13 5.458 -1.647 -8.676 1.00 0.00 H new ATOM 0 HA ARG A 13 5.558 0.694 -10.268 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.687 -1.106 -9.885 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.243 -0.110 -8.513 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.882 0.609 -10.347 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.076 1.867 -10.099 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.911 1.359 -12.502 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.492 0.886 -11.914 1.00 0.00 H new ATOM 0 HE ARG A 13 2.216 -1.019 -12.389 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.700 -0.335 -12.455 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.115 -1.987 -12.925 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.792 -3.120 -12.941 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.489 -3.541 -13.196 1.00 0.00 H new ATOM 223 N LEU A 14 5.348 0.919 -7.002 1.00 0.00 N ATOM 224 CA LEU A 14 5.460 1.783 -5.844 1.00 0.00 C ATOM 225 C LEU A 14 6.794 2.537 -5.873 1.00 0.00 C ATOM 226 O LEU A 14 6.898 3.655 -5.384 1.00 0.00 O ATOM 227 CB LEU A 14 5.337 0.955 -4.563 1.00 0.00 C ATOM 228 CG LEU A 14 5.307 1.733 -3.252 1.00 0.00 C ATOM 229 CD1 LEU A 14 4.089 2.642 -3.199 1.00 0.00 C ATOM 230 CD2 LEU A 14 5.311 0.779 -2.072 1.00 0.00 C ATOM 0 H LEU A 14 5.333 -0.075 -6.774 1.00 0.00 H new ATOM 0 HA LEU A 14 4.652 2.514 -5.866 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.426 0.359 -4.628 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.173 0.256 -4.526 1.00 0.00 H new ATOM 0 HG LEU A 14 6.201 2.354 -3.198 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.084 3.189 -2.256 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.126 3.348 -4.028 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.183 2.041 -3.274 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.289 1.349 -1.143 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.434 0.134 -2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.213 0.168 -2.102 1.00 0.00 H new ATOM 242 N ALA A 15 7.798 1.926 -6.479 1.00 0.00 N ATOM 243 CA ALA A 15 9.110 2.535 -6.625 1.00 0.00 C ATOM 244 C ALA A 15 9.082 3.640 -7.685 1.00 0.00 C ATOM 245 O ALA A 15 9.917 4.543 -7.680 1.00 0.00 O ATOM 246 CB ALA A 15 10.147 1.479 -6.979 1.00 0.00 C ATOM 0 H ALA A 15 7.727 0.993 -6.884 1.00 0.00 H new ATOM 0 HA ALA A 15 9.387 2.987 -5.673 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.124 1.950 -7.085 1.00 0.00 H new ATOM 0 HB2 ALA A 15 10.189 0.731 -6.188 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.872 0.999 -7.918 1.00 0.00 H new ATOM 252 N THR A 16 8.112 3.563 -8.573 1.00 0.00 N ATOM 253 CA THR A 16 7.939 4.534 -9.631 1.00 0.00 C ATOM 254 C THR A 16 7.193 5.775 -9.099 1.00 0.00 C ATOM 255 O THR A 16 7.439 6.909 -9.535 1.00 0.00 O ATOM 256 CB THR A 16 7.160 3.877 -10.786 1.00 0.00 C ATOM 257 OG1 THR A 16 7.800 2.635 -11.097 1.00 0.00 O ATOM 258 CG2 THR A 16 7.155 4.752 -12.029 1.00 0.00 C ATOM 0 H THR A 16 7.416 2.817 -8.580 1.00 0.00 H new ATOM 0 HA THR A 16 8.912 4.862 -9.996 1.00 0.00 H new ATOM 0 HB THR A 16 6.126 3.731 -10.475 1.00 0.00 H new ATOM 0 HG1 THR A 16 7.589 1.976 -10.403 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.596 4.255 -12.822 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.685 5.708 -11.799 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.180 4.921 -12.359 1.00 0.00 H new ATOM 266 N VAL A 17 6.312 5.549 -8.133 1.00 0.00 N ATOM 267 CA VAL A 17 5.562 6.617 -7.486 1.00 0.00 C ATOM 268 C VAL A 17 6.544 7.569 -6.780 1.00 0.00 C ATOM 269 O VAL A 17 7.487 7.096 -6.124 1.00 0.00 O ATOM 270 CB VAL A 17 4.557 6.031 -6.446 1.00 0.00 C ATOM 271 CG1 VAL A 17 3.749 7.126 -5.762 1.00 0.00 C ATOM 272 CG2 VAL A 17 3.628 5.033 -7.109 1.00 0.00 C ATOM 0 H VAL A 17 6.097 4.618 -7.776 1.00 0.00 H new ATOM 0 HA VAL A 17 4.997 7.162 -8.242 1.00 0.00 H new ATOM 0 HB VAL A 17 5.141 5.521 -5.680 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.061 6.677 -5.046 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.424 7.805 -5.241 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.183 7.681 -6.510 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.934 4.635 -6.369 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.068 5.529 -7.902 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.213 4.217 -7.534 1.00 0.00 H new ATOM 282 N PRO A 18 6.388 8.913 -6.983 1.00 0.00 N ATOM 283 CA PRO A 18 7.235 9.954 -6.360 1.00 0.00 C ATOM 284 C PRO A 18 7.596 9.654 -4.896 1.00 0.00 C ATOM 285 O PRO A 18 6.723 9.288 -4.079 1.00 0.00 O ATOM 286 CB PRO A 18 6.350 11.189 -6.445 1.00 0.00 C ATOM 287 CG PRO A 18 5.596 11.010 -7.716 1.00 0.00 C ATOM 288 CD PRO A 18 5.374 9.524 -7.877 1.00 0.00 C ATOM 0 HA PRO A 18 8.200 10.045 -6.859 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.678 11.257 -5.589 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.943 12.104 -6.459 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.646 11.543 -7.682 1.00 0.00 H new ATOM 0 HG3 PRO A 18 6.157 11.412 -8.560 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.363 9.238 -7.589 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.512 9.209 -8.911 1.00 0.00 H new ATOM 296 N ALA A 19 8.864 9.841 -4.574 1.00 0.00 N ATOM 297 CA ALA A 19 9.433 9.512 -3.264 1.00 0.00 C ATOM 298 C ALA A 19 8.790 10.258 -2.095 1.00 0.00 C ATOM 299 O ALA A 19 8.949 9.868 -0.953 1.00 0.00 O ATOM 300 CB ALA A 19 10.939 9.723 -3.263 1.00 0.00 C ATOM 0 H ALA A 19 9.546 10.233 -5.223 1.00 0.00 H new ATOM 0 HA ALA A 19 9.208 8.457 -3.105 1.00 0.00 H new ATOM 0 HB1 ALA A 19 11.341 9.473 -2.281 1.00 0.00 H new ATOM 0 HB2 ALA A 19 11.397 9.082 -4.016 1.00 0.00 H new ATOM 0 HB3 ALA A 19 11.160 10.766 -3.491 1.00 0.00 H new ATOM 306 N GLU A 20 8.098 11.334 -2.350 1.00 0.00 N ATOM 307 CA GLU A 20 7.444 12.022 -1.261 1.00 0.00 C ATOM 308 C GLU A 20 6.146 11.285 -0.892 1.00 0.00 C ATOM 309 O GLU A 20 5.751 11.239 0.264 1.00 0.00 O ATOM 310 CB GLU A 20 7.167 13.481 -1.618 1.00 0.00 C ATOM 311 CG GLU A 20 6.863 14.350 -0.409 1.00 0.00 C ATOM 312 CD GLU A 20 8.014 14.364 0.577 1.00 0.00 C ATOM 313 OE1 GLU A 20 9.012 15.062 0.326 1.00 0.00 O ATOM 314 OE2 GLU A 20 7.958 13.658 1.603 1.00 0.00 O ATOM 0 H GLU A 20 7.971 11.748 -3.274 1.00 0.00 H new ATOM 0 HA GLU A 20 8.107 12.022 -0.396 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.031 13.890 -2.142 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.325 13.525 -2.309 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.653 15.368 -0.737 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.964 13.982 0.086 1.00 0.00 H new ATOM 321 N LYS A 21 5.537 10.649 -1.875 1.00 0.00 N ATOM 322 CA LYS A 21 4.285 9.947 -1.653 1.00 0.00 C ATOM 323 C LYS A 21 4.551 8.538 -1.138 1.00 0.00 C ATOM 324 O LYS A 21 3.970 8.102 -0.140 1.00 0.00 O ATOM 325 CB LYS A 21 3.469 9.847 -2.953 1.00 0.00 C ATOM 326 CG LYS A 21 3.117 11.172 -3.612 1.00 0.00 C ATOM 327 CD LYS A 21 2.284 10.942 -4.867 1.00 0.00 C ATOM 328 CE LYS A 21 1.905 12.252 -5.537 1.00 0.00 C ATOM 329 NZ LYS A 21 1.022 12.053 -6.702 1.00 0.00 N ATOM 0 H LYS A 21 5.887 10.603 -2.832 1.00 0.00 H new ATOM 0 HA LYS A 21 3.719 10.514 -0.914 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.030 9.244 -3.667 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.544 9.311 -2.740 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.564 11.797 -2.911 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.029 11.711 -3.868 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.845 10.324 -5.568 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.380 10.391 -4.608 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.407 12.897 -4.813 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.810 12.770 -5.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.792 12.975 -7.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.505 11.460 -7.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.146 11.583 -6.397 1.00 0.00 H new ATOM 343 N ALA A 22 5.452 7.844 -1.816 1.00 0.00 N ATOM 344 CA ALA A 22 5.713 6.439 -1.537 1.00 0.00 C ATOM 345 C ALA A 22 6.951 6.215 -0.683 1.00 0.00 C ATOM 346 O ALA A 22 7.212 5.091 -0.266 1.00 0.00 O ATOM 347 CB ALA A 22 5.842 5.688 -2.839 1.00 0.00 C ATOM 0 H ALA A 22 6.019 8.234 -2.569 1.00 0.00 H new ATOM 0 HA ALA A 22 4.868 6.064 -0.959 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.038 4.635 -2.634 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.916 5.781 -3.406 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.666 6.104 -3.419 1.00 0.00 H new ATOM 353 N GLY A 23 7.687 7.270 -0.413 1.00 0.00 N ATOM 354 CA GLY A 23 8.928 7.163 0.363 1.00 0.00 C ATOM 355 C GLY A 23 8.736 6.521 1.729 1.00 0.00 C ATOM 356 O GLY A 23 9.329 5.469 2.006 1.00 0.00 O ATOM 0 H GLY A 23 7.458 8.217 -0.714 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.653 6.580 -0.205 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.352 8.159 0.495 1.00 0.00 H new ATOM 360 N PRO A 24 7.897 7.119 2.616 1.00 0.00 N ATOM 361 CA PRO A 24 7.608 6.548 3.941 1.00 0.00 C ATOM 362 C PRO A 24 7.031 5.126 3.855 1.00 0.00 C ATOM 363 O PRO A 24 7.240 4.293 4.752 1.00 0.00 O ATOM 364 CB PRO A 24 6.561 7.509 4.522 1.00 0.00 C ATOM 365 CG PRO A 24 6.815 8.797 3.831 1.00 0.00 C ATOM 366 CD PRO A 24 7.218 8.430 2.437 1.00 0.00 C ATOM 0 HA PRO A 24 8.510 6.455 4.546 1.00 0.00 H new ATOM 0 HB2 PRO A 24 5.548 7.152 4.336 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.670 7.610 5.602 1.00 0.00 H new ATOM 0 HG2 PRO A 24 5.923 9.424 3.830 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.602 9.362 4.331 1.00 0.00 H new ATOM 0 HD2 PRO A 24 6.355 8.350 1.776 1.00 0.00 H new ATOM 0 HD3 PRO A 24 7.886 9.174 2.001 1.00 0.00 H new ATOM 374 N LEU A 25 6.354 4.844 2.758 1.00 0.00 N ATOM 375 CA LEU A 25 5.720 3.564 2.558 1.00 0.00 C ATOM 376 C LEU A 25 6.735 2.492 2.155 1.00 0.00 C ATOM 377 O LEU A 25 6.620 1.348 2.572 1.00 0.00 O ATOM 378 CB LEU A 25 4.550 3.693 1.569 1.00 0.00 C ATOM 379 CG LEU A 25 3.809 2.402 1.165 1.00 0.00 C ATOM 380 CD1 LEU A 25 3.276 1.661 2.381 1.00 0.00 C ATOM 381 CD2 LEU A 25 2.665 2.729 0.230 1.00 0.00 C ATOM 0 H LEU A 25 6.231 5.497 1.985 1.00 0.00 H new ATOM 0 HA LEU A 25 5.298 3.230 3.506 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.820 4.378 2.000 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.929 4.161 0.660 1.00 0.00 H new ATOM 0 HG LEU A 25 4.525 1.755 0.658 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.760 0.757 2.059 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.105 1.392 3.035 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.580 2.303 2.922 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.149 1.810 -0.049 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.967 3.400 0.730 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.054 3.213 -0.666 1.00 0.00 H new ATOM 393 N GLN A 26 7.759 2.874 1.395 1.00 0.00 N ATOM 394 CA GLN A 26 8.832 1.931 1.031 1.00 0.00 C ATOM 395 C GLN A 26 9.606 1.458 2.265 1.00 0.00 C ATOM 396 O GLN A 26 10.227 0.386 2.256 1.00 0.00 O ATOM 397 CB GLN A 26 9.786 2.512 -0.024 1.00 0.00 C ATOM 398 CG GLN A 26 9.218 2.556 -1.446 1.00 0.00 C ATOM 399 CD GLN A 26 9.012 1.162 -2.066 1.00 0.00 C ATOM 400 OE1 GLN A 26 8.748 0.173 -1.378 1.00 0.00 O ATOM 401 NE2 GLN A 26 9.158 1.075 -3.364 1.00 0.00 N ATOM 0 H GLN A 26 7.875 3.815 1.020 1.00 0.00 H new ATOM 0 HA GLN A 26 8.345 1.064 0.584 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.062 3.523 0.274 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.702 1.920 -0.031 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.264 3.084 -1.432 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.892 3.132 -2.081 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.376 1.909 -3.910 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.053 0.174 -3.830 1.00 0.00 H new ATOM 410 N ARG A 27 9.563 2.258 3.323 1.00 0.00 N ATOM 411 CA ARG A 27 10.181 1.883 4.594 1.00 0.00 C ATOM 412 C ARG A 27 9.370 0.745 5.193 1.00 0.00 C ATOM 413 O ARG A 27 9.890 -0.324 5.514 1.00 0.00 O ATOM 414 CB ARG A 27 10.138 3.039 5.580 1.00 0.00 C ATOM 415 CG ARG A 27 10.680 4.351 5.069 1.00 0.00 C ATOM 416 CD ARG A 27 10.606 5.416 6.150 1.00 0.00 C ATOM 417 NE ARG A 27 9.240 5.593 6.689 1.00 0.00 N ATOM 418 CZ ARG A 27 8.811 6.676 7.360 1.00 0.00 C ATOM 419 NH1 ARG A 27 9.589 7.744 7.477 1.00 0.00 N ATOM 420 NH2 ARG A 27 7.598 6.688 7.891 1.00 0.00 N ATOM 0 H ARG A 27 9.108 3.171 3.329 1.00 0.00 H new ATOM 0 HA ARG A 27 11.218 1.600 4.411 1.00 0.00 H new ATOM 0 HB2 ARG A 27 9.104 3.190 5.891 1.00 0.00 H new ATOM 0 HB3 ARG A 27 10.700 2.756 6.470 1.00 0.00 H new ATOM 0 HG2 ARG A 27 11.713 4.223 4.747 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.111 4.671 4.196 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.281 5.149 6.963 1.00 0.00 H new ATOM 0 HD3 ARG A 27 10.957 6.365 5.743 1.00 0.00 H new ATOM 0 HE ARG A 27 8.573 4.836 6.540 1.00 0.00 H new ATOM 0 HH11 ARG A 27 10.518 7.747 7.057 1.00 0.00 H new ATOM 0 HH12 ARG A 27 9.258 8.563 7.987 1.00 0.00 H new ATOM 0 HH21 ARG A 27 6.989 5.876 7.791 1.00 0.00 H new ATOM 0 HH22 ARG A 27 7.272 7.510 8.400 1.00 0.00 H new ATOM 434 N TYR A 28 8.069 0.997 5.300 1.00 0.00 N ATOM 435 CA TYR A 28 7.100 0.048 5.835 1.00 0.00 C ATOM 436 C TYR A 28 7.139 -1.248 5.038 1.00 0.00 C ATOM 437 O TYR A 28 7.085 -2.350 5.609 1.00 0.00 O ATOM 438 CB TYR A 28 5.695 0.673 5.772 1.00 0.00 C ATOM 439 CG TYR A 28 4.569 -0.224 6.250 1.00 0.00 C ATOM 440 CD1 TYR A 28 4.191 -0.250 7.586 1.00 0.00 C ATOM 441 CD2 TYR A 28 3.876 -1.042 5.356 1.00 0.00 C ATOM 442 CE1 TYR A 28 3.165 -1.063 8.021 1.00 0.00 C ATOM 443 CE2 TYR A 28 2.849 -1.854 5.785 1.00 0.00 C ATOM 444 CZ TYR A 28 2.499 -1.860 7.118 1.00 0.00 C ATOM 445 OH TYR A 28 1.485 -2.673 7.545 1.00 0.00 O ATOM 0 H TYR A 28 7.652 1.882 5.012 1.00 0.00 H new ATOM 0 HA TYR A 28 7.348 -0.181 6.872 1.00 0.00 H new ATOM 0 HB2 TYR A 28 5.692 1.584 6.371 1.00 0.00 H new ATOM 0 HB3 TYR A 28 5.491 0.968 4.743 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.709 0.377 8.297 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.149 -1.038 4.311 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.886 -1.074 9.064 1.00 0.00 H new ATOM 0 HE2 TYR A 28 2.322 -2.481 5.082 1.00 0.00 H new ATOM 0 HH TYR A 28 1.045 -2.267 8.321 1.00 0.00 H new ATOM 455 N ALA A 29 7.234 -1.101 3.724 1.00 0.00 N ATOM 456 CA ALA A 29 7.306 -2.214 2.809 1.00 0.00 C ATOM 457 C ALA A 29 8.432 -3.154 3.189 1.00 0.00 C ATOM 458 O ALA A 29 8.190 -4.321 3.404 1.00 0.00 O ATOM 459 CB ALA A 29 7.472 -1.731 1.377 1.00 0.00 C ATOM 0 H ALA A 29 7.263 -0.191 3.265 1.00 0.00 H new ATOM 0 HA ALA A 29 6.367 -2.763 2.876 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.524 -2.589 0.707 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.621 -1.107 1.102 1.00 0.00 H new ATOM 0 HB3 ALA A 29 8.390 -1.150 1.293 1.00 0.00 H new ATOM 465 N ALA A 30 9.637 -2.612 3.366 1.00 0.00 N ATOM 466 CA ALA A 30 10.825 -3.418 3.693 1.00 0.00 C ATOM 467 C ALA A 30 10.641 -4.202 5.001 1.00 0.00 C ATOM 468 O ALA A 30 11.080 -5.369 5.127 1.00 0.00 O ATOM 469 CB ALA A 30 12.057 -2.531 3.771 1.00 0.00 C ATOM 0 H ALA A 30 9.822 -1.612 3.289 1.00 0.00 H new ATOM 0 HA ALA A 30 10.961 -4.147 2.894 1.00 0.00 H new ATOM 0 HB1 ALA A 30 12.928 -3.139 4.013 1.00 0.00 H new ATOM 0 HB2 ALA A 30 12.213 -2.040 2.811 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.914 -1.777 4.545 1.00 0.00 H new ATOM 475 N THR A 31 9.974 -3.582 5.956 1.00 0.00 N ATOM 476 CA THR A 31 9.694 -4.210 7.225 1.00 0.00 C ATOM 477 C THR A 31 8.710 -5.387 7.021 1.00 0.00 C ATOM 478 O THR A 31 8.942 -6.514 7.486 1.00 0.00 O ATOM 479 CB THR A 31 9.069 -3.172 8.171 1.00 0.00 C ATOM 480 OG1 THR A 31 9.869 -1.986 8.132 1.00 0.00 O ATOM 481 CG2 THR A 31 9.020 -3.692 9.602 1.00 0.00 C ATOM 0 H THR A 31 9.614 -2.632 5.871 1.00 0.00 H new ATOM 0 HA THR A 31 10.619 -4.592 7.657 1.00 0.00 H new ATOM 0 HB THR A 31 8.049 -2.967 7.847 1.00 0.00 H new ATOM 0 HG1 THR A 31 9.483 -1.311 8.729 1.00 0.00 H new ATOM 0 HG21 THR A 31 8.573 -2.937 10.248 1.00 0.00 H new ATOM 0 HG22 THR A 31 8.420 -4.601 9.638 1.00 0.00 H new ATOM 0 HG23 THR A 31 10.031 -3.910 9.945 1.00 0.00 H new ATOM 489 N ILE A 32 7.661 -5.127 6.275 1.00 0.00 N ATOM 490 CA ILE A 32 6.630 -6.106 6.011 1.00 0.00 C ATOM 491 C ILE A 32 7.132 -7.232 5.099 1.00 0.00 C ATOM 492 O ILE A 32 6.772 -8.400 5.299 1.00 0.00 O ATOM 493 CB ILE A 32 5.356 -5.413 5.457 1.00 0.00 C ATOM 494 CG1 ILE A 32 4.739 -4.517 6.539 1.00 0.00 C ATOM 495 CG2 ILE A 32 4.332 -6.394 4.923 1.00 0.00 C ATOM 496 CD1 ILE A 32 4.307 -5.245 7.810 1.00 0.00 C ATOM 0 H ILE A 32 7.497 -4.224 5.831 1.00 0.00 H new ATOM 0 HA ILE A 32 6.361 -6.583 6.953 1.00 0.00 H new ATOM 0 HB ILE A 32 5.664 -4.803 4.608 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.462 -3.747 6.807 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.872 -4.008 6.117 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.465 -5.848 4.550 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.772 -6.974 4.112 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.021 -7.067 5.722 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.884 -4.528 8.514 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.557 -5.996 7.562 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.171 -5.731 8.263 1.00 0.00 H new ATOM 508 N GLN A 33 7.987 -6.888 4.137 1.00 0.00 N ATOM 509 CA GLN A 33 8.616 -7.876 3.257 1.00 0.00 C ATOM 510 C GLN A 33 9.322 -8.920 4.098 1.00 0.00 C ATOM 511 O GLN A 33 9.114 -10.109 3.922 1.00 0.00 O ATOM 512 CB GLN A 33 9.644 -7.232 2.317 1.00 0.00 C ATOM 513 CG GLN A 33 9.090 -6.254 1.293 1.00 0.00 C ATOM 514 CD GLN A 33 10.178 -5.655 0.411 1.00 0.00 C ATOM 515 OE1 GLN A 33 10.079 -4.504 -0.031 1.00 0.00 O ATOM 516 NE2 GLN A 33 11.193 -6.434 0.116 1.00 0.00 N ATOM 0 H GLN A 33 8.263 -5.925 3.945 1.00 0.00 H new ATOM 0 HA GLN A 33 7.829 -8.327 2.652 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.385 -6.711 2.923 1.00 0.00 H new ATOM 0 HB3 GLN A 33 10.168 -8.026 1.785 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.359 -6.764 0.666 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.563 -5.452 1.809 1.00 0.00 H new ATOM 0 HE21 GLN A 33 11.240 -7.378 0.500 1.00 0.00 H new ATOM 0 HE22 GLN A 33 11.935 -6.095 -0.497 1.00 0.00 H new ATOM 525 N SER A 34 10.093 -8.452 5.059 1.00 0.00 N ATOM 526 CA SER A 34 10.846 -9.312 5.948 1.00 0.00 C ATOM 527 C SER A 34 9.920 -10.250 6.748 1.00 0.00 C ATOM 528 O SER A 34 10.194 -11.451 6.877 1.00 0.00 O ATOM 529 CB SER A 34 11.695 -8.450 6.888 1.00 0.00 C ATOM 530 OG SER A 34 12.592 -7.614 6.138 1.00 0.00 O ATOM 0 H SER A 34 10.215 -7.457 5.246 1.00 0.00 H new ATOM 0 HA SER A 34 11.500 -9.945 5.349 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.046 -7.831 7.508 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.264 -9.090 7.562 1.00 0.00 H new ATOM 0 HG SER A 34 12.101 -6.844 5.782 1.00 0.00 H new ATOM 536 N GLN A 35 8.805 -9.711 7.216 1.00 0.00 N ATOM 537 CA GLN A 35 7.850 -10.463 8.025 1.00 0.00 C ATOM 538 C GLN A 35 7.077 -11.509 7.212 1.00 0.00 C ATOM 539 O GLN A 35 6.666 -12.544 7.743 1.00 0.00 O ATOM 540 CB GLN A 35 6.905 -9.516 8.761 1.00 0.00 C ATOM 541 CG GLN A 35 7.616 -8.631 9.778 1.00 0.00 C ATOM 542 CD GLN A 35 6.690 -7.661 10.475 1.00 0.00 C ATOM 543 OE1 GLN A 35 5.498 -7.929 10.653 1.00 0.00 O ATOM 544 NE2 GLN A 35 7.224 -6.548 10.906 1.00 0.00 N ATOM 0 H GLN A 35 8.534 -8.742 7.048 1.00 0.00 H new ATOM 0 HA GLN A 35 8.426 -11.020 8.764 1.00 0.00 H new ATOM 0 HB2 GLN A 35 6.394 -8.885 8.034 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.139 -10.100 9.270 1.00 0.00 H new ATOM 0 HG2 GLN A 35 8.099 -9.262 10.524 1.00 0.00 H new ATOM 0 HG3 GLN A 35 8.405 -8.072 9.275 1.00 0.00 H new ATOM 0 HE21 GLN A 35 8.213 -6.359 10.741 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.652 -5.868 11.407 1.00 0.00 H new ATOM 553 N ARG A 36 6.880 -11.255 5.929 1.00 0.00 N ATOM 554 CA ARG A 36 6.207 -12.239 5.081 1.00 0.00 C ATOM 555 C ARG A 36 7.213 -13.055 4.273 1.00 0.00 C ATOM 556 O ARG A 36 6.846 -13.842 3.403 1.00 0.00 O ATOM 557 CB ARG A 36 5.077 -11.646 4.191 1.00 0.00 C ATOM 558 CG ARG A 36 3.821 -11.199 4.966 1.00 0.00 C ATOM 559 CD ARG A 36 4.021 -9.865 5.652 1.00 0.00 C ATOM 560 NE ARG A 36 3.012 -9.570 6.690 1.00 0.00 N ATOM 561 CZ ARG A 36 2.042 -8.645 6.610 1.00 0.00 C ATOM 562 NH1 ARG A 36 1.592 -8.225 5.429 1.00 0.00 N ATOM 563 NH2 ARG A 36 1.452 -8.213 7.713 1.00 0.00 N ATOM 0 H ARG A 36 7.167 -10.398 5.455 1.00 0.00 H new ATOM 0 HA ARG A 36 5.694 -12.917 5.763 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.474 -10.791 3.643 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.786 -12.391 3.451 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.977 -11.130 4.280 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.566 -11.954 5.710 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.012 -9.846 6.106 1.00 0.00 H new ATOM 0 HD3 ARG A 36 3.999 -9.074 4.902 1.00 0.00 H new ATOM 0 HE ARG A 36 3.056 -10.120 7.548 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.985 -8.607 4.569 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.855 -7.522 5.385 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.734 -8.583 8.621 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.715 -7.510 7.655 1.00 0.00 H new ATOM 577 N GLY A 37 8.482 -12.857 4.589 1.00 0.00 N ATOM 578 CA GLY A 37 9.560 -13.631 4.001 1.00 0.00 C ATOM 579 C GLY A 37 9.827 -13.314 2.545 1.00 0.00 C ATOM 580 O GLY A 37 10.331 -14.170 1.799 1.00 0.00 O ATOM 0 H GLY A 37 8.793 -12.155 5.260 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.472 -13.457 4.573 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.324 -14.691 4.093 1.00 0.00 H new ATOM 584 N ASP A 38 9.531 -12.110 2.135 1.00 0.00 N ATOM 585 CA ASP A 38 9.729 -11.737 0.755 1.00 0.00 C ATOM 586 C ASP A 38 10.885 -10.798 0.608 1.00 0.00 C ATOM 587 O ASP A 38 10.996 -9.812 1.331 1.00 0.00 O ATOM 588 CB ASP A 38 8.497 -11.089 0.136 1.00 0.00 C ATOM 589 CG ASP A 38 8.701 -10.864 -1.352 1.00 0.00 C ATOM 590 OD1 ASP A 38 8.462 -11.798 -2.123 1.00 0.00 O ATOM 591 OD2 ASP A 38 9.147 -9.780 -1.778 1.00 0.00 O ATOM 0 H ASP A 38 9.154 -11.373 2.730 1.00 0.00 H new ATOM 0 HA ASP A 38 9.932 -12.668 0.226 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.626 -11.724 0.297 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.294 -10.138 0.628 1.00 0.00 H new ATOM 596 N TYR A 39 11.761 -11.120 -0.293 1.00 0.00 N ATOM 597 CA TYR A 39 12.850 -10.255 -0.639 1.00 0.00 C ATOM 598 C TYR A 39 12.924 -10.150 -2.138 1.00 0.00 C ATOM 599 O TYR A 39 13.968 -9.899 -2.710 1.00 0.00 O ATOM 600 CB TYR A 39 14.174 -10.740 -0.022 1.00 0.00 C ATOM 601 CG TYR A 39 14.224 -10.539 1.477 1.00 0.00 C ATOM 602 CD1 TYR A 39 14.634 -9.325 2.010 1.00 0.00 C ATOM 603 CD2 TYR A 39 13.839 -11.543 2.355 1.00 0.00 C ATOM 604 CE1 TYR A 39 14.663 -9.116 3.370 1.00 0.00 C ATOM 605 CE2 TYR A 39 13.869 -11.341 3.719 1.00 0.00 C ATOM 606 CZ TYR A 39 14.279 -10.125 4.219 1.00 0.00 C ATOM 607 OH TYR A 39 14.311 -9.919 5.585 1.00 0.00 O ATOM 0 H TYR A 39 11.742 -11.997 -0.814 1.00 0.00 H new ATOM 0 HA TYR A 39 12.675 -9.262 -0.225 1.00 0.00 H new ATOM 0 HB2 TYR A 39 14.310 -11.798 -0.248 1.00 0.00 H new ATOM 0 HB3 TYR A 39 15.004 -10.206 -0.485 1.00 0.00 H new ATOM 0 HD1 TYR A 39 14.936 -8.529 1.345 1.00 0.00 H new ATOM 0 HD2 TYR A 39 13.512 -12.495 1.965 1.00 0.00 H new ATOM 0 HE1 TYR A 39 14.986 -8.165 3.767 1.00 0.00 H new ATOM 0 HE2 TYR A 39 13.573 -12.132 4.392 1.00 0.00 H new ATOM 0 HH TYR A 39 13.867 -9.072 5.799 1.00 0.00 H new ATOM 617 N ASN A 40 11.778 -10.292 -2.769 1.00 0.00 N ATOM 618 CA ASN A 40 11.705 -10.200 -4.206 1.00 0.00 C ATOM 619 C ASN A 40 11.407 -8.779 -4.586 1.00 0.00 C ATOM 620 O ASN A 40 11.953 -8.254 -5.566 1.00 0.00 O ATOM 621 CB ASN A 40 10.659 -11.141 -4.813 1.00 0.00 C ATOM 622 CG ASN A 40 10.941 -12.609 -4.561 1.00 0.00 C ATOM 623 OD1 ASN A 40 11.702 -13.237 -5.294 1.00 0.00 O ATOM 624 ND2 ASN A 40 10.295 -13.180 -3.574 1.00 0.00 N ATOM 0 H ASN A 40 10.886 -10.471 -2.307 1.00 0.00 H new ATOM 0 HA ASN A 40 12.669 -10.512 -4.609 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.679 -10.893 -4.404 1.00 0.00 H new ATOM 0 HB3 ASN A 40 10.609 -10.969 -5.888 1.00 0.00 H new ATOM 0 HD21 ASN A 40 10.416 -14.177 -3.394 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.671 -12.628 -2.986 1.00 0.00 H new ATOM 631 N GLY A 41 10.551 -8.147 -3.804 1.00 0.00 N ATOM 632 CA GLY A 41 10.242 -6.746 -4.008 1.00 0.00 C ATOM 633 C GLY A 41 9.337 -6.488 -5.200 1.00 0.00 C ATOM 634 O GLY A 41 9.336 -5.396 -5.752 1.00 0.00 O ATOM 0 H GLY A 41 10.059 -8.582 -3.023 1.00 0.00 H new ATOM 0 HA2 GLY A 41 9.766 -6.354 -3.110 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.172 -6.194 -4.143 1.00 0.00 H new ATOM 638 N LYS A 42 8.595 -7.483 -5.615 1.00 0.00 N ATOM 639 CA LYS A 42 7.670 -7.311 -6.714 1.00 0.00 C ATOM 640 C LYS A 42 6.262 -7.118 -6.227 1.00 0.00 C ATOM 641 O LYS A 42 5.685 -6.047 -6.375 1.00 0.00 O ATOM 642 CB LYS A 42 7.749 -8.460 -7.714 1.00 0.00 C ATOM 643 CG LYS A 42 8.886 -8.328 -8.696 1.00 0.00 C ATOM 644 CD LYS A 42 8.907 -9.478 -9.673 1.00 0.00 C ATOM 645 CE LYS A 42 9.767 -9.157 -10.874 1.00 0.00 C ATOM 646 NZ LYS A 42 9.156 -8.108 -11.723 1.00 0.00 N ATOM 0 H LYS A 42 8.611 -8.420 -5.212 1.00 0.00 H new ATOM 0 HA LYS A 42 7.970 -6.403 -7.237 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.857 -9.398 -7.169 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.810 -8.517 -8.264 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.791 -7.388 -9.240 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.832 -8.290 -8.156 1.00 0.00 H new ATOM 0 HD2 LYS A 42 9.287 -10.372 -9.179 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.891 -9.701 -9.999 1.00 0.00 H new ATOM 0 HE2 LYS A 42 10.750 -8.827 -10.539 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.918 -10.060 -11.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.898 -7.630 -12.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.470 -8.543 -12.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.670 -7.413 -11.121 1.00 0.00 H new ATOM 660 N VAL A 43 5.732 -8.129 -5.610 1.00 0.00 N ATOM 661 CA VAL A 43 4.396 -8.094 -5.098 1.00 0.00 C ATOM 662 C VAL A 43 4.394 -8.474 -3.626 1.00 0.00 C ATOM 663 O VAL A 43 4.941 -9.512 -3.230 1.00 0.00 O ATOM 664 CB VAL A 43 3.413 -8.989 -5.922 1.00 0.00 C ATOM 665 CG1 VAL A 43 3.209 -8.417 -7.318 1.00 0.00 C ATOM 666 CG2 VAL A 43 3.913 -10.426 -6.023 1.00 0.00 C ATOM 0 H VAL A 43 6.219 -9.010 -5.446 1.00 0.00 H new ATOM 0 HA VAL A 43 4.030 -7.072 -5.199 1.00 0.00 H new ATOM 0 HB VAL A 43 2.460 -8.995 -5.393 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.522 -9.054 -7.875 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.792 -7.413 -7.242 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.166 -8.374 -7.837 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.204 -11.018 -6.602 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.885 -10.439 -6.516 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.007 -10.850 -5.023 1.00 0.00 H new ATOM 676 N LEU A 44 3.839 -7.625 -2.820 1.00 0.00 N ATOM 677 CA LEU A 44 3.803 -7.841 -1.401 1.00 0.00 C ATOM 678 C LEU A 44 2.373 -7.993 -0.936 1.00 0.00 C ATOM 679 O LEU A 44 1.549 -7.094 -1.124 1.00 0.00 O ATOM 680 CB LEU A 44 4.485 -6.677 -0.677 1.00 0.00 C ATOM 681 CG LEU A 44 4.570 -6.768 0.851 1.00 0.00 C ATOM 682 CD1 LEU A 44 5.381 -7.987 1.279 1.00 0.00 C ATOM 683 CD2 LEU A 44 5.175 -5.493 1.416 1.00 0.00 C ATOM 0 H LEU A 44 3.396 -6.758 -3.125 1.00 0.00 H new ATOM 0 HA LEU A 44 4.342 -8.759 -1.166 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.498 -6.580 -1.068 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.955 -5.760 -0.934 1.00 0.00 H new ATOM 0 HG LEU A 44 3.561 -6.882 1.248 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.427 -8.030 2.367 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.905 -8.892 0.900 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.391 -7.912 0.876 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.231 -5.567 2.502 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.177 -5.354 1.009 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.551 -4.642 1.142 1.00 0.00 H new ATOM 695 N SER A 45 2.080 -9.126 -0.375 1.00 0.00 N ATOM 696 CA SER A 45 0.770 -9.411 0.132 1.00 0.00 C ATOM 697 C SER A 45 0.617 -8.806 1.539 1.00 0.00 C ATOM 698 O SER A 45 1.454 -9.042 2.440 1.00 0.00 O ATOM 699 CB SER A 45 0.589 -10.926 0.179 1.00 0.00 C ATOM 700 OG SER A 45 1.000 -11.520 -1.060 1.00 0.00 O ATOM 0 H SER A 45 2.749 -9.887 -0.254 1.00 0.00 H new ATOM 0 HA SER A 45 0.009 -8.973 -0.514 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.173 -11.343 1.000 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.456 -11.167 0.376 1.00 0.00 H new ATOM 0 HG SER A 45 0.879 -12.491 -1.013 1.00 0.00 H new ATOM 706 N ILE A 46 -0.401 -8.001 1.718 1.00 0.00 N ATOM 707 CA ILE A 46 -0.683 -7.402 2.990 1.00 0.00 C ATOM 708 C ILE A 46 -2.101 -7.750 3.407 1.00 0.00 C ATOM 709 O ILE A 46 -2.819 -8.440 2.682 1.00 0.00 O ATOM 710 CB ILE A 46 -0.490 -5.849 3.007 1.00 0.00 C ATOM 711 CG1 ILE A 46 -1.439 -5.153 2.016 1.00 0.00 C ATOM 712 CG2 ILE A 46 0.968 -5.481 2.727 1.00 0.00 C ATOM 713 CD1 ILE A 46 -1.419 -3.640 2.097 1.00 0.00 C ATOM 0 H ILE A 46 -1.057 -7.745 0.980 1.00 0.00 H new ATOM 0 HA ILE A 46 0.039 -7.808 3.698 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.744 -5.492 4.005 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.174 -5.455 1.003 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.456 -5.502 2.197 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.079 -4.397 2.744 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.608 -5.923 3.491 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.257 -5.860 1.747 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.115 -3.227 1.367 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.715 -3.325 3.098 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.413 -3.278 1.885 1.00 0.00 H new ATOM 725 N ARG A 47 -2.471 -7.339 4.573 1.00 0.00 N ATOM 726 CA ARG A 47 -3.784 -7.568 5.104 1.00 0.00 C ATOM 727 C ARG A 47 -4.569 -6.283 5.098 1.00 0.00 C ATOM 728 O ARG A 47 -3.998 -5.200 4.908 1.00 0.00 O ATOM 729 CB ARG A 47 -3.649 -8.026 6.522 1.00 0.00 C ATOM 730 CG ARG A 47 -2.912 -9.320 6.660 1.00 0.00 C ATOM 731 CD ARG A 47 -2.595 -9.555 8.085 1.00 0.00 C ATOM 732 NE ARG A 47 -1.696 -8.503 8.599 1.00 0.00 N ATOM 733 CZ ARG A 47 -1.160 -8.462 9.823 1.00 0.00 C ATOM 734 NH1 ARG A 47 -1.373 -9.447 10.680 1.00 0.00 N ATOM 735 NH2 ARG A 47 -0.398 -7.429 10.172 1.00 0.00 N ATOM 0 H ARG A 47 -1.858 -6.821 5.203 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.296 -8.315 4.498 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.131 -7.258 7.096 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.642 -8.134 6.957 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -3.517 -10.139 6.271 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.995 -9.293 6.072 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.515 -9.572 8.669 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.125 -10.531 8.202 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.463 -7.740 7.964 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.949 -10.244 10.408 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.961 -9.410 11.612 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.226 -6.675 9.507 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.014 -7.391 11.104 1.00 0.00 H new ATOM 749 N GLN A 48 -5.851 -6.391 5.354 1.00 0.00 N ATOM 750 CA GLN A 48 -6.729 -5.231 5.470 1.00 0.00 C ATOM 751 C GLN A 48 -6.318 -4.446 6.708 1.00 0.00 C ATOM 752 O GLN A 48 -6.406 -3.211 6.754 1.00 0.00 O ATOM 753 CB GLN A 48 -8.222 -5.650 5.566 1.00 0.00 C ATOM 754 CG GLN A 48 -8.798 -6.373 4.334 1.00 0.00 C ATOM 755 CD GLN A 48 -8.161 -7.730 4.048 1.00 0.00 C ATOM 756 OE1 GLN A 48 -7.708 -8.435 4.965 1.00 0.00 O ATOM 757 NE2 GLN A 48 -8.105 -8.096 2.798 1.00 0.00 N ATOM 0 H GLN A 48 -6.324 -7.284 5.490 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.629 -4.615 4.577 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.342 -6.299 6.433 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -8.819 -4.757 5.751 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -9.870 -6.511 4.476 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -8.672 -5.734 3.460 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -8.488 -7.491 2.072 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -7.679 -8.988 2.546 1.00 0.00 H new ATOM 766 N ASP A 49 -5.834 -5.189 7.694 1.00 0.00 N ATOM 767 CA ASP A 49 -5.292 -4.637 8.929 1.00 0.00 C ATOM 768 C ASP A 49 -4.074 -3.771 8.651 1.00 0.00 C ATOM 769 O ASP A 49 -3.928 -2.685 9.216 1.00 0.00 O ATOM 770 CB ASP A 49 -4.906 -5.762 9.890 1.00 0.00 C ATOM 771 CG ASP A 49 -4.191 -5.243 11.115 1.00 0.00 C ATOM 772 OD1 ASP A 49 -4.854 -4.758 12.050 1.00 0.00 O ATOM 773 OD2 ASP A 49 -2.953 -5.303 11.165 1.00 0.00 O ATOM 0 H ASP A 49 -5.806 -6.208 7.658 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.065 -4.019 9.385 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.803 -6.301 10.195 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.266 -6.476 9.373 1.00 0.00 H new ATOM 778 N ASP A 50 -3.222 -4.235 7.744 1.00 0.00 N ATOM 779 CA ASP A 50 -1.998 -3.512 7.401 1.00 0.00 C ATOM 780 C ASP A 50 -2.352 -2.203 6.732 1.00 0.00 C ATOM 781 O ASP A 50 -1.794 -1.162 7.054 1.00 0.00 O ATOM 782 CB ASP A 50 -1.066 -4.326 6.477 1.00 0.00 C ATOM 783 CG ASP A 50 -0.545 -5.622 7.074 1.00 0.00 C ATOM 784 OD1 ASP A 50 -0.005 -5.630 8.188 1.00 0.00 O ATOM 785 OD2 ASP A 50 -0.677 -6.672 6.435 1.00 0.00 O ATOM 0 H ASP A 50 -3.354 -5.107 7.232 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.459 -3.332 8.331 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.602 -4.557 5.557 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.216 -3.702 6.202 1.00 0.00 H new ATOM 790 N LEU A 51 -3.328 -2.258 5.834 1.00 0.00 N ATOM 791 CA LEU A 51 -3.804 -1.077 5.120 1.00 0.00 C ATOM 792 C LEU A 51 -4.396 -0.070 6.122 1.00 0.00 C ATOM 793 O LEU A 51 -4.149 1.134 6.033 1.00 0.00 O ATOM 794 CB LEU A 51 -4.825 -1.507 4.020 1.00 0.00 C ATOM 795 CG LEU A 51 -5.333 -0.432 3.018 1.00 0.00 C ATOM 796 CD1 LEU A 51 -5.938 -1.101 1.802 1.00 0.00 C ATOM 797 CD2 LEU A 51 -6.382 0.484 3.643 1.00 0.00 C ATOM 0 H LEU A 51 -3.811 -3.119 5.580 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.977 -0.578 4.615 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.370 -2.311 3.441 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.695 -1.929 4.522 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.471 0.172 2.734 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.291 -0.340 1.106 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.184 -1.718 1.313 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.775 -1.727 2.110 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.708 1.219 2.907 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.237 -0.110 3.967 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.951 0.998 4.502 1.00 0.00 H new ATOM 809 N ARG A 52 -5.137 -0.585 7.094 1.00 0.00 N ATOM 810 CA ARG A 52 -5.737 0.241 8.145 1.00 0.00 C ATOM 811 C ARG A 52 -4.638 0.927 8.972 1.00 0.00 C ATOM 812 O ARG A 52 -4.765 2.095 9.361 1.00 0.00 O ATOM 813 CB ARG A 52 -6.607 -0.628 9.059 1.00 0.00 C ATOM 814 CG ARG A 52 -7.303 0.139 10.175 1.00 0.00 C ATOM 815 CD ARG A 52 -8.035 -0.797 11.120 1.00 0.00 C ATOM 816 NE ARG A 52 -7.120 -1.787 11.719 1.00 0.00 N ATOM 817 CZ ARG A 52 -6.828 -1.877 13.021 1.00 0.00 C ATOM 818 NH1 ARG A 52 -7.346 -1.014 13.883 1.00 0.00 N ATOM 819 NH2 ARG A 52 -6.018 -2.832 13.453 1.00 0.00 N ATOM 0 H ARG A 52 -5.341 -1.581 7.180 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.359 1.005 7.679 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -7.362 -1.130 8.453 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.985 -1.406 9.502 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -6.568 0.719 10.733 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -8.009 0.849 9.745 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.513 -0.217 11.910 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.828 -1.314 10.580 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.675 -2.456 11.090 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.970 -0.277 13.554 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.121 -1.086 14.875 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.617 -3.498 12.793 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.795 -2.901 14.446 1.00 0.00 H new ATOM 833 N THR A 53 -3.566 0.198 9.208 1.00 0.00 N ATOM 834 CA THR A 53 -2.426 0.684 9.952 1.00 0.00 C ATOM 835 C THR A 53 -1.699 1.790 9.158 1.00 0.00 C ATOM 836 O THR A 53 -1.276 2.808 9.722 1.00 0.00 O ATOM 837 CB THR A 53 -1.477 -0.497 10.265 1.00 0.00 C ATOM 838 OG1 THR A 53 -2.215 -1.506 10.989 1.00 0.00 O ATOM 839 CG2 THR A 53 -0.286 -0.054 11.102 1.00 0.00 C ATOM 0 H THR A 53 -3.463 -0.763 8.882 1.00 0.00 H new ATOM 0 HA THR A 53 -2.763 1.120 10.893 1.00 0.00 H new ATOM 0 HB THR A 53 -1.098 -0.892 9.323 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.832 -1.961 10.379 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.357 -0.911 11.301 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.278 0.705 10.559 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.639 0.362 12.046 1.00 0.00 H new ATOM 847 N LEU A 54 -1.609 1.602 7.846 1.00 0.00 N ATOM 848 CA LEU A 54 -0.997 2.585 6.949 1.00 0.00 C ATOM 849 C LEU A 54 -1.740 3.902 6.993 1.00 0.00 C ATOM 850 O LEU A 54 -1.124 4.976 7.008 1.00 0.00 O ATOM 851 CB LEU A 54 -0.954 2.060 5.518 1.00 0.00 C ATOM 852 CG LEU A 54 -0.025 0.885 5.276 1.00 0.00 C ATOM 853 CD1 LEU A 54 -0.140 0.399 3.843 1.00 0.00 C ATOM 854 CD2 LEU A 54 1.394 1.294 5.580 1.00 0.00 C ATOM 0 H LEU A 54 -1.956 0.768 7.372 1.00 0.00 H new ATOM 0 HA LEU A 54 0.024 2.753 7.293 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.963 1.768 5.227 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.657 2.876 4.860 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.311 0.065 5.935 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.534 -0.444 3.689 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.165 0.085 3.647 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.128 1.207 3.162 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.061 0.450 5.406 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.681 2.122 4.932 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.467 1.606 6.622 1.00 0.00 H new ATOM 866 N ALA A 55 -3.059 3.813 7.055 1.00 0.00 N ATOM 867 CA ALA A 55 -3.915 4.979 7.131 1.00 0.00 C ATOM 868 C ALA A 55 -3.581 5.820 8.366 1.00 0.00 C ATOM 869 O ALA A 55 -3.655 7.037 8.334 1.00 0.00 O ATOM 870 CB ALA A 55 -5.374 4.557 7.146 1.00 0.00 C ATOM 0 H ALA A 55 -3.564 2.927 7.054 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.740 5.595 6.249 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -6.008 5.442 7.203 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.603 4.005 6.234 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.560 3.921 8.011 1.00 0.00 H new ATOM 876 N VAL A 56 -3.163 5.159 9.426 1.00 0.00 N ATOM 877 CA VAL A 56 -2.805 5.832 10.660 1.00 0.00 C ATOM 878 C VAL A 56 -1.508 6.623 10.467 1.00 0.00 C ATOM 879 O VAL A 56 -1.440 7.809 10.784 1.00 0.00 O ATOM 880 CB VAL A 56 -2.628 4.818 11.833 1.00 0.00 C ATOM 881 CG1 VAL A 56 -2.249 5.526 13.124 1.00 0.00 C ATOM 882 CG2 VAL A 56 -3.893 4.000 12.036 1.00 0.00 C ATOM 0 H VAL A 56 -3.062 4.145 9.458 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.617 6.512 10.916 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.815 4.144 11.563 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.133 4.792 13.921 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.309 6.060 12.984 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.032 6.234 13.394 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.746 3.300 12.859 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.723 4.666 12.270 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.118 3.446 11.125 1.00 0.00 H new ATOM 892 N ILE A 57 -0.512 5.969 9.882 1.00 0.00 N ATOM 893 CA ILE A 57 0.822 6.559 9.698 1.00 0.00 C ATOM 894 C ILE A 57 0.753 7.782 8.788 1.00 0.00 C ATOM 895 O ILE A 57 1.298 8.849 9.094 1.00 0.00 O ATOM 896 CB ILE A 57 1.814 5.559 9.032 1.00 0.00 C ATOM 897 CG1 ILE A 57 1.744 4.186 9.698 1.00 0.00 C ATOM 898 CG2 ILE A 57 3.240 6.110 9.104 1.00 0.00 C ATOM 899 CD1 ILE A 57 2.657 3.142 9.077 1.00 0.00 C ATOM 0 H ILE A 57 -0.598 5.019 9.521 1.00 0.00 H new ATOM 0 HA ILE A 57 1.172 6.827 10.695 1.00 0.00 H new ATOM 0 HB ILE A 57 1.528 5.441 7.987 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.999 4.293 10.752 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.716 3.826 9.653 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.927 5.405 8.636 1.00 0.00 H new ATOM 0 HG22 ILE A 57 3.288 7.065 8.580 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.522 6.254 10.147 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.545 2.198 9.610 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.390 3.002 8.030 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.692 3.477 9.146 1.00 0.00 H new ATOM 911 N TYR A 58 0.049 7.638 7.690 1.00 0.00 N ATOM 912 CA TYR A 58 0.042 8.673 6.672 1.00 0.00 C ATOM 913 C TYR A 58 -1.079 9.665 6.880 1.00 0.00 C ATOM 914 O TYR A 58 -1.285 10.550 6.049 1.00 0.00 O ATOM 915 CB TYR A 58 -0.006 8.052 5.269 1.00 0.00 C ATOM 916 CG TYR A 58 1.011 6.940 5.089 1.00 0.00 C ATOM 917 CD1 TYR A 58 2.311 7.065 5.571 1.00 0.00 C ATOM 918 CD2 TYR A 58 0.653 5.743 4.504 1.00 0.00 C ATOM 919 CE1 TYR A 58 3.208 6.031 5.463 1.00 0.00 C ATOM 920 CE2 TYR A 58 1.547 4.704 4.406 1.00 0.00 C ATOM 921 CZ TYR A 58 2.826 4.859 4.892 1.00 0.00 C ATOM 922 OH TYR A 58 3.721 3.826 4.824 1.00 0.00 O ATOM 0 H TYR A 58 -0.524 6.822 7.475 1.00 0.00 H new ATOM 0 HA TYR A 58 0.973 9.232 6.763 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -1.006 7.659 5.083 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.174 8.828 4.525 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.619 7.989 6.037 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.347 5.620 4.116 1.00 0.00 H new ATOM 0 HE1 TYR A 58 4.216 6.149 5.832 1.00 0.00 H new ATOM 0 HE2 TYR A 58 1.248 3.771 3.951 1.00 0.00 H new ATOM 0 HH TYR A 58 3.539 3.188 5.545 1.00 0.00 H new ATOM 932 N ASP A 59 -1.757 9.538 8.022 1.00 0.00 N ATOM 933 CA ASP A 59 -2.889 10.393 8.405 1.00 0.00 C ATOM 934 C ASP A 59 -3.932 10.419 7.305 1.00 0.00 C ATOM 935 O ASP A 59 -4.091 11.394 6.575 1.00 0.00 O ATOM 936 CB ASP A 59 -2.445 11.817 8.816 1.00 0.00 C ATOM 937 CG ASP A 59 -3.593 12.687 9.300 1.00 0.00 C ATOM 938 OD1 ASP A 59 -3.983 12.576 10.478 1.00 0.00 O ATOM 939 OD2 ASP A 59 -4.097 13.523 8.531 1.00 0.00 O ATOM 0 H ASP A 59 -1.534 8.828 8.720 1.00 0.00 H new ATOM 0 HA ASP A 59 -3.344 9.955 9.293 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.696 11.743 9.605 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.965 12.301 7.965 1.00 0.00 H new ATOM 944 N GLN A 60 -4.518 9.283 7.099 1.00 0.00 N ATOM 945 CA GLN A 60 -5.544 9.092 6.108 1.00 0.00 C ATOM 946 C GLN A 60 -6.604 8.210 6.721 1.00 0.00 C ATOM 947 O GLN A 60 -6.434 7.721 7.849 1.00 0.00 O ATOM 948 CB GLN A 60 -4.973 8.354 4.870 1.00 0.00 C ATOM 949 CG GLN A 60 -3.709 8.952 4.248 1.00 0.00 C ATOM 950 CD GLN A 60 -3.897 10.219 3.410 1.00 0.00 C ATOM 951 OE1 GLN A 60 -3.123 10.451 2.493 1.00 0.00 O ATOM 952 NE2 GLN A 60 -4.888 11.038 3.695 1.00 0.00 N ATOM 0 H GLN A 60 -4.295 8.438 7.625 1.00 0.00 H new ATOM 0 HA GLN A 60 -5.939 10.060 5.799 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.760 7.323 5.154 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.748 8.320 4.104 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.006 9.174 5.050 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.245 8.192 3.619 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -5.521 10.823 4.465 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -5.022 11.887 3.146 1.00 0.00 H new ATOM 961 N SER A 61 -7.678 8.037 6.042 1.00 0.00 N ATOM 962 CA SER A 61 -8.651 7.072 6.423 1.00 0.00 C ATOM 963 C SER A 61 -8.472 5.875 5.486 1.00 0.00 C ATOM 964 O SER A 61 -7.915 6.054 4.387 1.00 0.00 O ATOM 965 CB SER A 61 -10.044 7.684 6.317 1.00 0.00 C ATOM 966 OG SER A 61 -10.244 8.254 5.044 1.00 0.00 O ATOM 0 H SER A 61 -7.912 8.563 5.200 1.00 0.00 H new ATOM 0 HA SER A 61 -8.529 6.748 7.457 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.798 6.918 6.500 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.171 8.446 7.086 1.00 0.00 H new ATOM 0 HG SER A 61 -11.144 8.639 4.996 1.00 0.00 H new ATOM 972 N PRO A 62 -8.880 4.645 5.891 1.00 0.00 N ATOM 973 CA PRO A 62 -8.721 3.429 5.071 1.00 0.00 C ATOM 974 C PRO A 62 -9.147 3.604 3.602 1.00 0.00 C ATOM 975 O PRO A 62 -8.424 3.189 2.690 1.00 0.00 O ATOM 976 CB PRO A 62 -9.613 2.415 5.783 1.00 0.00 C ATOM 977 CG PRO A 62 -9.536 2.823 7.211 1.00 0.00 C ATOM 978 CD PRO A 62 -9.505 4.327 7.201 1.00 0.00 C ATOM 0 HA PRO A 62 -7.674 3.133 4.998 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -10.637 2.451 5.411 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -9.256 1.395 5.638 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -10.394 2.452 7.771 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -8.644 2.416 7.687 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -10.506 4.751 7.283 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.922 4.723 8.032 1.00 0.00 H new ATOM 986 N SER A 63 -10.276 4.260 3.369 1.00 0.00 N ATOM 987 CA SER A 63 -10.759 4.436 2.025 1.00 0.00 C ATOM 988 C SER A 63 -9.895 5.426 1.238 1.00 0.00 C ATOM 989 O SER A 63 -9.595 5.184 0.082 1.00 0.00 O ATOM 990 CB SER A 63 -12.239 4.844 1.990 1.00 0.00 C ATOM 991 OG SER A 63 -12.735 4.831 0.647 1.00 0.00 O ATOM 0 H SER A 63 -10.864 4.673 4.093 1.00 0.00 H new ATOM 0 HA SER A 63 -10.680 3.465 1.536 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.824 4.161 2.606 1.00 0.00 H new ATOM 0 HB3 SER A 63 -12.357 5.840 2.417 1.00 0.00 H new ATOM 0 HG SER A 63 -13.680 5.092 0.645 1.00 0.00 H new ATOM 997 N VAL A 64 -9.467 6.509 1.867 1.00 0.00 N ATOM 998 CA VAL A 64 -8.637 7.496 1.171 1.00 0.00 C ATOM 999 C VAL A 64 -7.271 6.892 0.859 1.00 0.00 C ATOM 1000 O VAL A 64 -6.707 7.103 -0.229 1.00 0.00 O ATOM 1001 CB VAL A 64 -8.488 8.813 1.987 1.00 0.00 C ATOM 1002 CG1 VAL A 64 -7.546 9.797 1.295 1.00 0.00 C ATOM 1003 CG2 VAL A 64 -9.850 9.456 2.184 1.00 0.00 C ATOM 0 H VAL A 64 -9.673 6.731 2.841 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.136 7.758 0.238 1.00 0.00 H new ATOM 0 HB VAL A 64 -8.058 8.560 2.956 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.466 10.705 1.892 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -6.560 9.344 1.189 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -7.939 10.045 0.309 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.738 10.377 2.756 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.289 9.683 1.213 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -10.501 8.770 2.725 1.00 0.00 H new ATOM 1013 N LEU A 65 -6.783 6.094 1.793 1.00 0.00 N ATOM 1014 CA LEU A 65 -5.520 5.414 1.656 1.00 0.00 C ATOM 1015 C LEU A 65 -5.588 4.430 0.472 1.00 0.00 C ATOM 1016 O LEU A 65 -4.751 4.490 -0.438 1.00 0.00 O ATOM 1017 CB LEU A 65 -5.173 4.713 3.010 1.00 0.00 C ATOM 1018 CG LEU A 65 -3.757 4.103 3.208 1.00 0.00 C ATOM 1019 CD1 LEU A 65 -3.544 2.838 2.400 1.00 0.00 C ATOM 1020 CD2 LEU A 65 -2.677 5.124 2.895 1.00 0.00 C ATOM 0 H LEU A 65 -7.262 5.902 2.673 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.719 6.119 1.435 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.331 5.441 3.806 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.898 3.914 3.161 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.685 3.824 4.259 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.538 2.457 2.578 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.275 2.087 2.700 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.666 3.059 1.340 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.696 4.672 3.041 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.775 5.452 1.860 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.784 5.982 3.559 1.00 0.00 H new ATOM 1032 N THR A 66 -6.613 3.573 0.452 1.00 0.00 N ATOM 1033 CA THR A 66 -6.743 2.586 -0.610 1.00 0.00 C ATOM 1034 C THR A 66 -6.960 3.263 -1.974 1.00 0.00 C ATOM 1035 O THR A 66 -6.430 2.796 -2.981 1.00 0.00 O ATOM 1036 CB THR A 66 -7.853 1.501 -0.319 1.00 0.00 C ATOM 1037 OG1 THR A 66 -7.775 0.433 -1.270 1.00 0.00 O ATOM 1038 CG2 THR A 66 -9.251 2.082 -0.386 1.00 0.00 C ATOM 0 H THR A 66 -7.354 3.546 1.153 1.00 0.00 H new ATOM 0 HA THR A 66 -5.797 2.046 -0.644 1.00 0.00 H new ATOM 0 HB THR A 66 -7.666 1.134 0.690 1.00 0.00 H new ATOM 0 HG1 THR A 66 -8.469 -0.231 -1.074 1.00 0.00 H new ATOM 0 HG21 THR A 66 -9.981 1.299 -0.179 1.00 0.00 H new ATOM 0 HG22 THR A 66 -9.351 2.876 0.354 1.00 0.00 H new ATOM 0 HG23 THR A 66 -9.428 2.490 -1.381 1.00 0.00 H new ATOM 1046 N GLU A 67 -7.684 4.393 -1.994 1.00 0.00 N ATOM 1047 CA GLU A 67 -7.940 5.107 -3.234 1.00 0.00 C ATOM 1048 C GLU A 67 -6.663 5.609 -3.870 1.00 0.00 C ATOM 1049 O GLU A 67 -6.509 5.535 -5.088 1.00 0.00 O ATOM 1050 CB GLU A 67 -8.962 6.236 -3.053 1.00 0.00 C ATOM 1051 CG GLU A 67 -10.396 5.744 -2.892 1.00 0.00 C ATOM 1052 CD GLU A 67 -10.918 5.073 -4.144 1.00 0.00 C ATOM 1053 OE1 GLU A 67 -10.446 3.985 -4.496 1.00 0.00 O ATOM 1054 OE2 GLU A 67 -11.791 5.654 -4.827 1.00 0.00 O ATOM 0 H GLU A 67 -8.096 4.822 -1.166 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.382 4.386 -3.922 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.689 6.825 -2.177 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.910 6.902 -3.914 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.446 5.043 -2.059 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.040 6.586 -2.638 1.00 0.00 H new ATOM 1061 N GLN A 68 -5.734 6.064 -3.051 1.00 0.00 N ATOM 1062 CA GLN A 68 -4.453 6.528 -3.533 1.00 0.00 C ATOM 1063 C GLN A 68 -3.625 5.374 -4.079 1.00 0.00 C ATOM 1064 O GLN A 68 -3.117 5.447 -5.189 1.00 0.00 O ATOM 1065 CB GLN A 68 -3.699 7.263 -2.442 1.00 0.00 C ATOM 1066 CG GLN A 68 -4.263 8.638 -2.123 1.00 0.00 C ATOM 1067 CD GLN A 68 -3.489 9.373 -1.045 1.00 0.00 C ATOM 1068 OE1 GLN A 68 -4.051 10.181 -0.310 1.00 0.00 O ATOM 1069 NE2 GLN A 68 -2.205 9.108 -0.948 1.00 0.00 N ATOM 0 H GLN A 68 -5.848 6.121 -2.039 1.00 0.00 H new ATOM 0 HA GLN A 68 -4.635 7.227 -4.349 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -3.709 6.658 -1.536 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -2.657 7.369 -2.743 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -4.267 9.240 -3.031 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -5.301 8.532 -1.806 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -1.775 8.430 -1.577 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -1.639 9.580 -0.243 1.00 0.00 H new ATOM 1078 N LEU A 69 -3.533 4.300 -3.314 1.00 0.00 N ATOM 1079 CA LEU A 69 -2.781 3.107 -3.722 1.00 0.00 C ATOM 1080 C LEU A 69 -3.300 2.523 -5.039 1.00 0.00 C ATOM 1081 O LEU A 69 -2.512 2.106 -5.900 1.00 0.00 O ATOM 1082 CB LEU A 69 -2.771 2.045 -2.609 1.00 0.00 C ATOM 1083 CG LEU A 69 -1.698 2.180 -1.500 1.00 0.00 C ATOM 1084 CD1 LEU A 69 -0.313 1.923 -2.062 1.00 0.00 C ATOM 1085 CD2 LEU A 69 -1.734 3.548 -0.831 1.00 0.00 C ATOM 0 H LEU A 69 -3.972 4.222 -2.396 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.752 3.423 -3.894 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.751 2.050 -2.131 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.649 1.068 -3.077 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.928 1.430 -0.743 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.426 2.023 -1.267 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.269 0.915 -2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.100 2.646 -2.849 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.965 3.597 -0.060 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.551 4.322 -1.576 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.712 3.705 -0.377 1.00 0.00 H new ATOM 1097 N ILE A 70 -4.607 2.519 -5.203 1.00 0.00 N ATOM 1098 CA ILE A 70 -5.221 2.045 -6.431 1.00 0.00 C ATOM 1099 C ILE A 70 -5.006 3.059 -7.561 1.00 0.00 C ATOM 1100 O ILE A 70 -4.810 2.679 -8.712 1.00 0.00 O ATOM 1101 CB ILE A 70 -6.730 1.747 -6.232 1.00 0.00 C ATOM 1102 CG1 ILE A 70 -6.902 0.618 -5.212 1.00 0.00 C ATOM 1103 CG2 ILE A 70 -7.407 1.390 -7.554 1.00 0.00 C ATOM 1104 CD1 ILE A 70 -8.337 0.303 -4.869 1.00 0.00 C ATOM 0 H ILE A 70 -5.270 2.840 -4.498 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.738 1.108 -6.710 1.00 0.00 H new ATOM 0 HB ILE A 70 -7.213 2.648 -5.853 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -6.428 -0.283 -5.602 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.373 0.887 -4.298 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.463 1.187 -7.379 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.308 2.223 -8.250 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.933 0.505 -7.978 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -8.368 -0.507 -4.141 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.813 1.188 -4.447 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -8.869 0.000 -5.771 1.00 0.00 H new ATOM 1116 N SER A 71 -5.001 4.341 -7.213 1.00 0.00 N ATOM 1117 CA SER A 71 -4.773 5.411 -8.176 1.00 0.00 C ATOM 1118 C SER A 71 -3.380 5.262 -8.798 1.00 0.00 C ATOM 1119 O SER A 71 -3.218 5.376 -10.012 1.00 0.00 O ATOM 1120 CB SER A 71 -4.926 6.791 -7.493 1.00 0.00 C ATOM 1121 OG SER A 71 -4.781 7.866 -8.409 1.00 0.00 O ATOM 0 H SER A 71 -5.154 4.667 -6.259 1.00 0.00 H new ATOM 0 HA SER A 71 -5.517 5.342 -8.969 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.905 6.852 -7.017 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.181 6.887 -6.703 1.00 0.00 H new ATOM 0 HG SER A 71 -4.887 8.717 -7.934 1.00 0.00 H new ATOM 1127 N TRP A 72 -2.394 4.939 -7.968 1.00 0.00 N ATOM 1128 CA TRP A 72 -1.013 4.778 -8.432 1.00 0.00 C ATOM 1129 C TRP A 72 -0.839 3.462 -9.204 1.00 0.00 C ATOM 1130 O TRP A 72 0.141 3.265 -9.919 1.00 0.00 O ATOM 1131 CB TRP A 72 -0.041 4.781 -7.247 1.00 0.00 C ATOM 1132 CG TRP A 72 -0.107 5.991 -6.362 1.00 0.00 C ATOM 1133 CD1 TRP A 72 -0.449 7.259 -6.718 1.00 0.00 C ATOM 1134 CD2 TRP A 72 0.221 6.043 -4.969 1.00 0.00 C ATOM 1135 NE1 TRP A 72 -0.383 8.087 -5.626 1.00 0.00 N ATOM 1136 CE2 TRP A 72 0.029 7.369 -4.545 1.00 0.00 C ATOM 1137 CE3 TRP A 72 0.645 5.094 -4.037 1.00 0.00 C ATOM 1138 CZ2 TRP A 72 0.253 7.774 -3.233 1.00 0.00 C ATOM 1139 CZ3 TRP A 72 0.871 5.497 -2.734 1.00 0.00 C ATOM 1140 CH2 TRP A 72 0.671 6.825 -2.343 1.00 0.00 C ATOM 0 H TRP A 72 -2.522 4.782 -6.968 1.00 0.00 H new ATOM 0 HA TRP A 72 -0.794 5.617 -9.093 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -0.233 3.897 -6.639 1.00 0.00 H new ATOM 0 HB3 TRP A 72 0.975 4.689 -7.632 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -0.731 7.568 -7.714 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -0.607 9.082 -5.624 1.00 0.00 H new ATOM 0 HE3 TRP A 72 0.794 4.065 -4.328 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 0.102 8.799 -2.929 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 1.208 4.774 -2.006 1.00 0.00 H new ATOM 0 HH2 TRP A 72 0.851 7.106 -1.316 1.00 0.00 H new ATOM 1151 N GLY A 73 -1.789 2.565 -9.044 1.00 0.00 N ATOM 1152 CA GLY A 73 -1.721 1.276 -9.698 1.00 0.00 C ATOM 1153 C GLY A 73 -0.909 0.287 -8.895 1.00 0.00 C ATOM 1154 O GLY A 73 -0.576 -0.807 -9.366 1.00 0.00 O ATOM 0 H GLY A 73 -2.618 2.705 -8.466 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.729 0.887 -9.843 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.279 1.392 -10.687 1.00 0.00 H new ATOM 1158 N VAL A 74 -0.593 0.668 -7.675 1.00 0.00 N ATOM 1159 CA VAL A 74 0.166 -0.179 -6.776 1.00 0.00 C ATOM 1160 C VAL A 74 -0.760 -1.246 -6.222 1.00 0.00 C ATOM 1161 O VAL A 74 -0.363 -2.396 -6.026 1.00 0.00 O ATOM 1162 CB VAL A 74 0.805 0.646 -5.623 1.00 0.00 C ATOM 1163 CG1 VAL A 74 1.597 -0.244 -4.675 1.00 0.00 C ATOM 1164 CG2 VAL A 74 1.703 1.731 -6.186 1.00 0.00 C ATOM 0 H VAL A 74 -0.854 1.571 -7.278 1.00 0.00 H new ATOM 0 HA VAL A 74 0.984 -0.645 -7.326 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.005 1.107 -5.057 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.030 0.365 -3.881 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.934 -0.991 -4.239 1.00 0.00 H new ATOM 0 HG13 VAL A 74 2.394 -0.743 -5.225 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.143 2.300 -5.367 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.496 1.276 -6.779 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.116 2.398 -6.817 1.00 0.00 H new ATOM 1174 N LEU A 75 -1.993 -0.870 -6.008 1.00 0.00 N ATOM 1175 CA LEU A 75 -3.006 -1.783 -5.561 1.00 0.00 C ATOM 1176 C LEU A 75 -4.020 -1.945 -6.684 1.00 0.00 C ATOM 1177 O LEU A 75 -4.254 -1.004 -7.444 1.00 0.00 O ATOM 1178 CB LEU A 75 -3.672 -1.270 -4.273 1.00 0.00 C ATOM 1179 CG LEU A 75 -4.741 -2.177 -3.631 1.00 0.00 C ATOM 1180 CD1 LEU A 75 -4.156 -3.530 -3.247 1.00 0.00 C ATOM 1181 CD2 LEU A 75 -5.342 -1.504 -2.412 1.00 0.00 C ATOM 0 H LEU A 75 -2.323 0.086 -6.141 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.565 -2.751 -5.323 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.890 -1.092 -3.535 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.131 -0.305 -4.490 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.526 -2.343 -4.368 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.933 -4.148 -2.797 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.769 -4.025 -4.138 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.347 -3.386 -2.531 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.095 -2.157 -1.970 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.558 -1.308 -1.681 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.806 -0.563 -2.708 1.00 0.00 H new ATOM 1193 N ASP A 76 -4.573 -3.130 -6.797 1.00 0.00 N ATOM 1194 CA ASP A 76 -5.527 -3.474 -7.852 1.00 0.00 C ATOM 1195 C ASP A 76 -6.868 -2.749 -7.656 1.00 0.00 C ATOM 1196 O ASP A 76 -7.305 -2.529 -6.525 1.00 0.00 O ATOM 1197 CB ASP A 76 -5.724 -4.995 -7.886 1.00 0.00 C ATOM 1198 CG ASP A 76 -6.733 -5.448 -8.915 1.00 0.00 C ATOM 1199 OD1 ASP A 76 -6.372 -5.616 -10.096 1.00 0.00 O ATOM 1200 OD2 ASP A 76 -7.901 -5.643 -8.559 1.00 0.00 O ATOM 0 H ASP A 76 -4.378 -3.899 -6.156 1.00 0.00 H new ATOM 0 HA ASP A 76 -5.123 -3.144 -8.809 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.766 -5.473 -8.092 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -6.044 -5.334 -6.901 1.00 0.00 H new ATOM 1205 N ALA A 77 -7.513 -2.401 -8.760 1.00 0.00 N ATOM 1206 CA ALA A 77 -8.756 -1.638 -8.753 1.00 0.00 C ATOM 1207 C ALA A 77 -9.945 -2.424 -8.200 1.00 0.00 C ATOM 1208 O ALA A 77 -10.874 -1.844 -7.661 1.00 0.00 O ATOM 1209 CB ALA A 77 -9.058 -1.104 -10.147 1.00 0.00 C ATOM 0 H ALA A 77 -7.186 -2.642 -9.696 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.605 -0.800 -8.072 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.989 -0.537 -10.126 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.245 -0.455 -10.472 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -9.157 -1.938 -10.842 1.00 0.00 H new ATOM 1215 N ASP A 78 -9.928 -3.729 -8.323 1.00 0.00 N ATOM 1216 CA ASP A 78 -11.035 -4.537 -7.815 1.00 0.00 C ATOM 1217 C ASP A 78 -10.854 -4.816 -6.329 1.00 0.00 C ATOM 1218 O ASP A 78 -11.830 -5.017 -5.580 1.00 0.00 O ATOM 1219 CB ASP A 78 -11.177 -5.837 -8.597 1.00 0.00 C ATOM 1220 CG ASP A 78 -12.354 -6.655 -8.134 1.00 0.00 C ATOM 1221 OD1 ASP A 78 -13.514 -6.279 -8.436 1.00 0.00 O ATOM 1222 OD2 ASP A 78 -12.151 -7.690 -7.475 1.00 0.00 O ATOM 0 H ASP A 78 -9.175 -4.259 -8.763 1.00 0.00 H new ATOM 0 HA ASP A 78 -11.955 -3.969 -7.950 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -11.289 -5.611 -9.657 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -10.265 -6.424 -8.491 1.00 0.00 H new ATOM 1227 N ALA A 79 -9.606 -4.736 -5.896 1.00 0.00 N ATOM 1228 CA ALA A 79 -9.196 -5.004 -4.517 1.00 0.00 C ATOM 1229 C ALA A 79 -9.907 -4.121 -3.489 1.00 0.00 C ATOM 1230 O ALA A 79 -10.021 -4.506 -2.317 1.00 0.00 O ATOM 1231 CB ALA A 79 -7.690 -4.887 -4.365 1.00 0.00 C ATOM 0 H ALA A 79 -8.828 -4.477 -6.503 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.499 -6.030 -4.308 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.412 -5.091 -3.331 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.201 -5.607 -5.021 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.374 -3.879 -4.634 1.00 0.00 H new ATOM 1237 N ARG A 80 -10.394 -2.934 -3.920 1.00 0.00 N ATOM 1238 CA ARG A 80 -11.067 -1.982 -3.000 1.00 0.00 C ATOM 1239 C ARG A 80 -12.273 -2.619 -2.284 1.00 0.00 C ATOM 1240 O ARG A 80 -12.726 -2.091 -1.293 1.00 0.00 O ATOM 1241 CB ARG A 80 -11.518 -0.645 -3.684 1.00 0.00 C ATOM 1242 CG ARG A 80 -12.899 -0.667 -4.359 1.00 0.00 C ATOM 1243 CD ARG A 80 -12.940 -1.583 -5.545 1.00 0.00 C ATOM 1244 NE ARG A 80 -14.294 -1.862 -5.990 1.00 0.00 N ATOM 1245 CZ ARG A 80 -14.595 -2.484 -7.120 1.00 0.00 C ATOM 1246 NH1 ARG A 80 -13.674 -2.611 -8.077 1.00 0.00 N ATOM 1247 NH2 ARG A 80 -15.826 -2.924 -7.315 1.00 0.00 N ATOM 0 H ARG A 80 -10.336 -2.614 -4.887 1.00 0.00 H new ATOM 0 HA ARG A 80 -10.301 -1.731 -2.267 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -11.516 0.144 -2.932 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -10.774 -0.374 -4.433 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -13.650 -0.981 -3.634 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -13.163 0.343 -4.674 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -12.377 -1.136 -6.364 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -12.444 -2.520 -5.293 1.00 0.00 H new ATOM 0 HE ARG A 80 -15.064 -1.559 -5.393 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -12.738 -2.229 -7.938 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -13.906 -3.090 -8.947 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -16.537 -2.784 -6.598 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -16.065 -3.404 -8.183 1.00 0.00 H new ATOM 1261 N ARG A 81 -12.774 -3.767 -2.790 1.00 0.00 N ATOM 1262 CA ARG A 81 -13.909 -4.481 -2.168 1.00 0.00 C ATOM 1263 C ARG A 81 -13.619 -4.871 -0.708 1.00 0.00 C ATOM 1264 O ARG A 81 -14.530 -5.119 0.066 1.00 0.00 O ATOM 1265 CB ARG A 81 -14.316 -5.729 -2.974 1.00 0.00 C ATOM 1266 CG ARG A 81 -15.003 -5.445 -4.306 1.00 0.00 C ATOM 1267 CD ARG A 81 -15.464 -6.736 -4.994 1.00 0.00 C ATOM 1268 NE ARG A 81 -14.345 -7.570 -5.467 1.00 0.00 N ATOM 1269 CZ ARG A 81 -14.256 -8.918 -5.365 1.00 0.00 C ATOM 1270 NH1 ARG A 81 -15.167 -9.625 -4.678 1.00 0.00 N ATOM 1271 NH2 ARG A 81 -13.250 -9.542 -5.961 1.00 0.00 N ATOM 0 H ARG A 81 -12.409 -4.219 -3.629 1.00 0.00 H new ATOM 0 HA ARG A 81 -14.744 -3.780 -2.174 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -13.424 -6.327 -3.163 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -14.983 -6.336 -2.362 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -15.862 -4.794 -4.141 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -14.317 -4.908 -4.962 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -16.072 -7.314 -4.298 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -16.103 -6.482 -5.840 1.00 0.00 H new ATOM 0 HE ARG A 81 -13.565 -7.087 -5.913 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -15.944 -9.148 -4.221 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -15.082 -10.639 -4.613 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -12.558 -9.008 -6.486 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -13.168 -10.556 -5.894 1.00 0.00 H new