USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 559 hydrogens (19 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 NoAdj-H: B 9 M3L H2 : B 9 M3L N : B 8 ARG C :(H bumps) USER MOD NoAdj-H: B 9 M3L H : B 9 M3L N : B 8 ARG C :(H bumps) USER MOD Set 1.1: A 39 ASN : amide:sc= -0.6 K(o=-0.051,f=-8.5!) USER MOD Set 1.2: B 11 THR OG1 : rot 127:sc= 0.549 USER MOD Set 2.1: A 1 GLY N :NH3+ -136:sc= 1.14 (180deg=-0.828) USER MOD Set 2.2: B 5 GLN : amide:sc= 0.0349 K(o=2.2,f=-1.5!) USER MOD Set 2.3: B 6 THR OG1 : rot -130:sc= 0.978 USER MOD Single : A 7 LYS NZ :NH3+ 177:sc= 1.3 (180deg=1.29) USER MOD Single : A 15 ASN : amide:sc= -0.483 X(o=-0.48,f=-0.081) USER MOD Single : A 17 LYS NZ :NH3+ 162:sc= 0.0467 (180deg=0.00869) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.0232 USER MOD Single : A 23 LYS NZ :NH3+ 176:sc=-0.00671 (180deg=-0.0678) USER MOD Single : A 25 LYS NZ :NH3+ 165:sc= -0.0355 (180deg=-0.256) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.112 USER MOD Single : A 32 ASN : amide:sc= -3.57 K(o=-3.6,f=-4.6!) USER MOD Single : A 33 THR OG1 : rot 123:sc= 1.15 USER MOD Single : A 42 CYS SG : rot 46:sc= -0.431 USER MOD Single : A 51 ASN : amide:sc= -0.332 X(o=-0.33,f=-0.5) USER MOD Single : A 52 SER OG : rot 81:sc= 1.2 USER MOD Single : A 53 GLN :FLIP amide:sc= -0.0261 F(o=-2!,f=-0.026) USER MOD Single : A 54 LYS NZ :NH3+ 170:sc= -0.0112 (180deg=-0.132) USER MOD Single : B 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 THR OG1 : rot 178:sc= 0.0278 USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 SER OG : rot 46:sc= 0.229 USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.490 -2.127 -3.453 1.00 0.00 N ATOM 2 CA GLY A 1 9.090 -1.314 -2.285 1.00 0.00 C ATOM 3 C GLY A 1 7.625 -0.930 -2.356 1.00 0.00 C ATOM 4 O GLY A 1 6.795 -1.734 -2.795 1.00 0.00 O ATOM 0 H1 GLY A 1 10.076 -2.926 -3.136 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.640 -2.489 -3.931 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.036 -1.539 -4.115 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.277 -1.874 -1.369 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.702 -0.413 -2.239 1.00 0.00 H new ATOM 10 N GLU A 2 7.304 0.300 -1.923 1.00 0.00 N ATOM 11 CA GLU A 2 5.919 0.817 -1.907 1.00 0.00 C ATOM 12 C GLU A 2 5.848 2.274 -2.397 1.00 0.00 C ATOM 13 O GLU A 2 4.761 2.746 -2.737 1.00 0.00 O ATOM 14 CB GLU A 2 5.309 0.675 -0.480 1.00 0.00 C ATOM 15 CG GLU A 2 6.186 1.261 0.648 1.00 0.00 C ATOM 16 CD GLU A 2 5.596 1.097 2.062 1.00 0.00 C ATOM 17 OE1 GLU A 2 5.332 -0.056 2.465 1.00 0.00 O ATOM 18 OE2 GLU A 2 5.448 2.102 2.794 1.00 0.00 O ATOM 0 H GLU A 2 7.993 0.966 -1.574 1.00 0.00 H new ATOM 0 HA GLU A 2 5.328 0.218 -2.601 1.00 0.00 H new ATOM 0 HB2 GLU A 2 4.337 1.169 -0.462 1.00 0.00 H new ATOM 0 HB3 GLU A 2 5.134 -0.381 -0.276 1.00 0.00 H new ATOM 0 HG2 GLU A 2 7.164 0.781 0.618 1.00 0.00 H new ATOM 0 HG3 GLU A 2 6.345 2.322 0.454 1.00 0.00 H new ATOM 25 N PHE A 3 6.997 2.996 -2.414 1.00 0.00 N ATOM 26 CA PHE A 3 7.073 4.401 -2.909 1.00 0.00 C ATOM 27 C PHE A 3 8.379 4.622 -3.689 1.00 0.00 C ATOM 28 O PHE A 3 9.438 4.174 -3.252 1.00 0.00 O ATOM 29 CB PHE A 3 6.973 5.422 -1.732 1.00 0.00 C ATOM 30 CG PHE A 3 5.617 5.424 -1.029 1.00 0.00 C ATOM 31 CD1 PHE A 3 4.526 6.083 -1.590 1.00 0.00 C ATOM 32 CD2 PHE A 3 5.426 4.742 0.170 1.00 0.00 C ATOM 33 CE1 PHE A 3 3.290 6.062 -0.972 1.00 0.00 C ATOM 34 CE2 PHE A 3 4.188 4.724 0.789 1.00 0.00 C ATOM 35 CZ PHE A 3 3.122 5.382 0.216 1.00 0.00 C ATOM 0 H PHE A 3 7.891 2.628 -2.089 1.00 0.00 H new ATOM 0 HA PHE A 3 6.227 4.567 -3.575 1.00 0.00 H new ATOM 0 HB2 PHE A 3 7.750 5.197 -1.001 1.00 0.00 H new ATOM 0 HB3 PHE A 3 7.175 6.423 -2.114 1.00 0.00 H new ATOM 0 HD1 PHE A 3 4.647 6.618 -2.520 1.00 0.00 H new ATOM 0 HD2 PHE A 3 6.256 4.220 0.623 1.00 0.00 H new ATOM 0 HE1 PHE A 3 2.454 6.579 -1.420 1.00 0.00 H new ATOM 0 HE2 PHE A 3 4.058 4.194 1.721 1.00 0.00 H new ATOM 0 HZ PHE A 3 2.155 5.365 0.697 1.00 0.00 H new ATOM 45 N VAL A 4 8.285 5.317 -4.844 1.00 0.00 N ATOM 46 CA VAL A 4 9.442 5.609 -5.720 1.00 0.00 C ATOM 47 C VAL A 4 10.351 6.692 -5.107 1.00 0.00 C ATOM 48 O VAL A 4 9.867 7.717 -4.603 1.00 0.00 O ATOM 49 CB VAL A 4 8.991 6.047 -7.174 1.00 0.00 C ATOM 50 CG1 VAL A 4 8.279 4.882 -7.900 1.00 0.00 C ATOM 51 CG2 VAL A 4 8.084 7.313 -7.149 1.00 0.00 C ATOM 0 H VAL A 4 7.404 5.692 -5.196 1.00 0.00 H new ATOM 0 HA VAL A 4 10.007 4.681 -5.805 1.00 0.00 H new ATOM 0 HB VAL A 4 9.894 6.306 -7.727 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.978 5.204 -8.897 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.960 4.035 -7.983 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.397 4.585 -7.333 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.799 7.577 -8.168 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.188 7.107 -6.563 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.629 8.142 -6.699 1.00 0.00 H new ATOM 61 N VAL A 5 11.671 6.445 -5.149 1.00 0.00 N ATOM 62 CA VAL A 5 12.693 7.411 -4.713 1.00 0.00 C ATOM 63 C VAL A 5 13.716 7.643 -5.843 1.00 0.00 C ATOM 64 O VAL A 5 14.147 6.705 -6.513 1.00 0.00 O ATOM 65 CB VAL A 5 13.394 6.990 -3.346 1.00 0.00 C ATOM 66 CG1 VAL A 5 13.775 5.493 -3.306 1.00 0.00 C ATOM 67 CG2 VAL A 5 14.630 7.878 -3.036 1.00 0.00 C ATOM 0 H VAL A 5 12.061 5.565 -5.488 1.00 0.00 H new ATOM 0 HA VAL A 5 12.191 8.355 -4.503 1.00 0.00 H new ATOM 0 HB VAL A 5 12.651 7.154 -2.565 1.00 0.00 H new ATOM 0 HG11 VAL A 5 14.249 5.264 -2.352 1.00 0.00 H new ATOM 0 HG12 VAL A 5 12.877 4.886 -3.421 1.00 0.00 H new ATOM 0 HG13 VAL A 5 14.468 5.272 -4.118 1.00 0.00 H new ATOM 0 HG21 VAL A 5 15.080 7.559 -2.096 1.00 0.00 H new ATOM 0 HG22 VAL A 5 15.360 7.779 -3.840 1.00 0.00 H new ATOM 0 HG23 VAL A 5 14.319 8.919 -2.955 1.00 0.00 H new ATOM 77 N GLU A 6 14.010 8.934 -6.076 1.00 0.00 N ATOM 78 CA GLU A 6 15.058 9.418 -6.991 1.00 0.00 C ATOM 79 C GLU A 6 16.435 8.814 -6.611 1.00 0.00 C ATOM 80 O GLU A 6 17.025 8.060 -7.399 1.00 0.00 O ATOM 81 CB GLU A 6 15.075 10.977 -6.916 1.00 0.00 C ATOM 82 CG GLU A 6 16.204 11.680 -7.688 1.00 0.00 C ATOM 83 CD GLU A 6 16.131 11.447 -9.198 1.00 0.00 C ATOM 84 OE1 GLU A 6 15.311 12.097 -9.866 1.00 0.00 O ATOM 85 OE2 GLU A 6 16.893 10.616 -9.718 1.00 0.00 O ATOM 0 H GLU A 6 13.508 9.694 -5.617 1.00 0.00 H new ATOM 0 HA GLU A 6 14.849 9.104 -8.014 1.00 0.00 H new ATOM 0 HB2 GLU A 6 14.121 11.349 -7.290 1.00 0.00 H new ATOM 0 HB3 GLU A 6 15.143 11.269 -5.868 1.00 0.00 H new ATOM 0 HG2 GLU A 6 16.161 12.751 -7.489 1.00 0.00 H new ATOM 0 HG3 GLU A 6 17.166 11.325 -7.317 1.00 0.00 H new ATOM 92 N LYS A 7 16.931 9.180 -5.405 1.00 0.00 N ATOM 93 CA LYS A 7 18.110 8.558 -4.765 1.00 0.00 C ATOM 94 C LYS A 7 18.292 9.085 -3.336 1.00 0.00 C ATOM 95 O LYS A 7 17.598 10.022 -2.906 1.00 0.00 O ATOM 96 CB LYS A 7 19.448 8.735 -5.571 1.00 0.00 C ATOM 97 CG LYS A 7 20.061 10.176 -5.644 1.00 0.00 C ATOM 98 CD LYS A 7 19.692 10.942 -6.938 1.00 0.00 C ATOM 99 CE LYS A 7 20.138 10.200 -8.213 1.00 0.00 C ATOM 100 NZ LYS A 7 19.763 10.931 -9.442 1.00 0.00 N ATOM 0 H LYS A 7 16.517 9.925 -4.844 1.00 0.00 H new ATOM 0 HA LYS A 7 17.900 7.489 -4.748 1.00 0.00 H new ATOM 0 HB2 LYS A 7 20.195 8.073 -5.133 1.00 0.00 H new ATOM 0 HB3 LYS A 7 19.275 8.390 -6.591 1.00 0.00 H new ATOM 0 HG2 LYS A 7 19.721 10.750 -4.782 1.00 0.00 H new ATOM 0 HG3 LYS A 7 21.146 10.104 -5.571 1.00 0.00 H new ATOM 0 HD2 LYS A 7 18.613 11.096 -6.970 1.00 0.00 H new ATOM 0 HD3 LYS A 7 20.154 11.929 -6.916 1.00 0.00 H new ATOM 0 HE2 LYS A 7 21.219 10.060 -8.191 1.00 0.00 H new ATOM 0 HE3 LYS A 7 19.688 9.207 -8.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 20.126 10.422 -10.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 18.727 10.999 -9.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 20.171 11.887 -9.416 1.00 0.00 H new ATOM 114 N VAL A 8 19.207 8.433 -2.598 1.00 0.00 N ATOM 115 CA VAL A 8 19.650 8.881 -1.275 1.00 0.00 C ATOM 116 C VAL A 8 20.411 10.218 -1.396 1.00 0.00 C ATOM 117 O VAL A 8 21.208 10.406 -2.322 1.00 0.00 O ATOM 118 CB VAL A 8 20.584 7.818 -0.598 1.00 0.00 C ATOM 119 CG1 VAL A 8 21.047 8.300 0.795 1.00 0.00 C ATOM 120 CG2 VAL A 8 19.906 6.421 -0.521 1.00 0.00 C ATOM 0 H VAL A 8 19.661 7.574 -2.909 1.00 0.00 H new ATOM 0 HA VAL A 8 18.763 9.013 -0.655 1.00 0.00 H new ATOM 0 HB VAL A 8 21.468 7.708 -1.226 1.00 0.00 H new ATOM 0 HG11 VAL A 8 21.693 7.546 1.245 1.00 0.00 H new ATOM 0 HG12 VAL A 8 21.597 9.235 0.692 1.00 0.00 H new ATOM 0 HG13 VAL A 8 20.177 8.459 1.433 1.00 0.00 H new ATOM 0 HG21 VAL A 8 20.585 5.713 -0.046 1.00 0.00 H new ATOM 0 HG22 VAL A 8 18.989 6.493 0.064 1.00 0.00 H new ATOM 0 HG23 VAL A 8 19.668 6.076 -1.527 1.00 0.00 H new ATOM 130 N LEU A 9 20.165 11.127 -0.448 1.00 0.00 N ATOM 131 CA LEU A 9 20.764 12.471 -0.428 1.00 0.00 C ATOM 132 C LEU A 9 21.752 12.613 0.742 1.00 0.00 C ATOM 133 O LEU A 9 22.735 13.364 0.641 1.00 0.00 O ATOM 134 CB LEU A 9 19.654 13.548 -0.315 1.00 0.00 C ATOM 135 CG LEU A 9 18.582 13.555 -1.455 1.00 0.00 C ATOM 136 CD1 LEU A 9 17.523 14.651 -1.214 1.00 0.00 C ATOM 137 CD2 LEU A 9 19.238 13.701 -2.854 1.00 0.00 C ATOM 0 H LEU A 9 19.538 10.952 0.337 1.00 0.00 H new ATOM 0 HA LEU A 9 21.310 12.615 -1.360 1.00 0.00 H new ATOM 0 HB2 LEU A 9 19.141 13.413 0.637 1.00 0.00 H new ATOM 0 HB3 LEU A 9 20.129 14.528 -0.285 1.00 0.00 H new ATOM 0 HG LEU A 9 18.074 12.591 -1.435 1.00 0.00 H new ATOM 0 HD11 LEU A 9 16.791 14.633 -2.021 1.00 0.00 H new ATOM 0 HD12 LEU A 9 17.020 14.469 -0.264 1.00 0.00 H new ATOM 0 HD13 LEU A 9 18.009 15.626 -1.186 1.00 0.00 H new ATOM 0 HD21 LEU A 9 18.463 13.702 -3.621 1.00 0.00 H new ATOM 0 HD22 LEU A 9 19.794 14.637 -2.899 1.00 0.00 H new ATOM 0 HD23 LEU A 9 19.918 12.866 -3.026 1.00 0.00 H new ATOM 149 N ASP A 10 21.493 11.879 1.851 1.00 0.00 N ATOM 150 CA ASP A 10 22.267 12.028 3.108 1.00 0.00 C ATOM 151 C ASP A 10 22.119 10.770 3.993 1.00 0.00 C ATOM 152 O ASP A 10 21.219 9.960 3.771 1.00 0.00 O ATOM 153 CB ASP A 10 21.804 13.311 3.856 1.00 0.00 C ATOM 154 CG ASP A 10 22.771 13.799 4.951 1.00 0.00 C ATOM 155 OD1 ASP A 10 23.981 13.914 4.678 1.00 0.00 O ATOM 156 OD2 ASP A 10 22.329 14.085 6.081 1.00 0.00 O ATOM 0 H ASP A 10 20.754 11.178 1.901 1.00 0.00 H new ATOM 0 HA ASP A 10 23.325 12.132 2.869 1.00 0.00 H new ATOM 0 HB2 ASP A 10 21.667 14.111 3.128 1.00 0.00 H new ATOM 0 HB3 ASP A 10 20.830 13.121 4.308 1.00 0.00 H new ATOM 161 N ARG A 11 23.021 10.620 4.979 1.00 0.00 N ATOM 162 CA ARG A 11 23.077 9.446 5.883 1.00 0.00 C ATOM 163 C ARG A 11 23.300 9.900 7.341 1.00 0.00 C ATOM 164 O ARG A 11 23.949 10.922 7.591 1.00 0.00 O ATOM 165 CB ARG A 11 24.222 8.505 5.417 1.00 0.00 C ATOM 166 CG ARG A 11 24.513 7.271 6.310 1.00 0.00 C ATOM 167 CD ARG A 11 25.608 6.360 5.712 1.00 0.00 C ATOM 168 NE ARG A 11 25.992 5.263 6.622 1.00 0.00 N ATOM 169 CZ ARG A 11 26.554 4.099 6.247 1.00 0.00 C ATOM 170 NH1 ARG A 11 26.712 3.795 4.965 1.00 0.00 N ATOM 171 NH2 ARG A 11 26.932 3.225 7.167 1.00 0.00 N ATOM 0 H ARG A 11 23.741 11.315 5.177 1.00 0.00 H new ATOM 0 HA ARG A 11 22.130 8.907 5.844 1.00 0.00 H new ATOM 0 HB2 ARG A 11 23.985 8.151 4.414 1.00 0.00 H new ATOM 0 HB3 ARG A 11 25.136 9.093 5.340 1.00 0.00 H new ATOM 0 HG2 ARG A 11 24.823 7.606 7.300 1.00 0.00 H new ATOM 0 HG3 ARG A 11 23.596 6.696 6.441 1.00 0.00 H new ATOM 0 HD2 ARG A 11 25.252 5.939 4.772 1.00 0.00 H new ATOM 0 HD3 ARG A 11 26.488 6.960 5.480 1.00 0.00 H new ATOM 0 HE ARG A 11 25.817 5.398 7.618 1.00 0.00 H new ATOM 0 HH11 ARG A 11 26.405 4.448 4.244 1.00 0.00 H new ATOM 0 HH12 ARG A 11 27.140 2.908 4.700 1.00 0.00 H new ATOM 0 HH21 ARG A 11 26.797 3.435 8.156 1.00 0.00 H new ATOM 0 HH22 ARG A 11 27.358 2.342 6.887 1.00 0.00 H new ATOM 185 N ARG A 12 22.730 9.131 8.285 1.00 0.00 N ATOM 186 CA ARG A 12 22.913 9.319 9.742 1.00 0.00 C ATOM 187 C ARG A 12 22.767 7.951 10.443 1.00 0.00 C ATOM 188 O ARG A 12 22.415 6.955 9.797 1.00 0.00 O ATOM 189 CB ARG A 12 21.873 10.339 10.300 1.00 0.00 C ATOM 190 CG ARG A 12 20.422 9.808 10.378 1.00 0.00 C ATOM 191 CD ARG A 12 19.377 10.899 10.669 1.00 0.00 C ATOM 192 NE ARG A 12 19.574 11.578 11.962 1.00 0.00 N ATOM 193 CZ ARG A 12 18.585 11.946 12.786 1.00 0.00 C ATOM 194 NH1 ARG A 12 17.333 11.543 12.568 1.00 0.00 N ATOM 195 NH2 ARG A 12 18.865 12.660 13.862 1.00 0.00 N ATOM 0 H ARG A 12 22.118 8.347 8.057 1.00 0.00 H new ATOM 0 HA ARG A 12 23.907 9.722 9.936 1.00 0.00 H new ATOM 0 HB2 ARG A 12 22.186 10.647 11.297 1.00 0.00 H new ATOM 0 HB3 ARG A 12 21.886 11.230 9.672 1.00 0.00 H new ATOM 0 HG2 ARG A 12 20.172 9.321 9.436 1.00 0.00 H new ATOM 0 HG3 ARG A 12 20.365 9.046 11.156 1.00 0.00 H new ATOM 0 HD2 ARG A 12 19.407 11.641 9.871 1.00 0.00 H new ATOM 0 HD3 ARG A 12 18.383 10.452 10.651 1.00 0.00 H new ATOM 0 HE ARG A 12 20.531 11.782 12.249 1.00 0.00 H new ATOM 0 HH11 ARG A 12 17.121 10.948 11.767 1.00 0.00 H new ATOM 0 HH12 ARG A 12 16.587 11.829 13.202 1.00 0.00 H new ATOM 0 HH21 ARG A 12 19.829 12.927 14.060 1.00 0.00 H new ATOM 0 HH22 ARG A 12 18.117 12.944 14.494 1.00 0.00 H new ATOM 209 N VAL A 13 23.052 7.906 11.755 1.00 0.00 N ATOM 210 CA VAL A 13 22.848 6.706 12.594 1.00 0.00 C ATOM 211 C VAL A 13 22.067 7.099 13.862 1.00 0.00 C ATOM 212 O VAL A 13 22.533 7.939 14.640 1.00 0.00 O ATOM 213 CB VAL A 13 24.209 6.016 12.998 1.00 0.00 C ATOM 214 CG1 VAL A 13 23.980 4.809 13.948 1.00 0.00 C ATOM 215 CG2 VAL A 13 25.015 5.579 11.746 1.00 0.00 C ATOM 0 H VAL A 13 23.432 8.702 12.268 1.00 0.00 H new ATOM 0 HA VAL A 13 22.282 5.983 12.007 1.00 0.00 H new ATOM 0 HB VAL A 13 24.795 6.760 13.538 1.00 0.00 H new ATOM 0 HG11 VAL A 13 24.940 4.360 14.204 1.00 0.00 H new ATOM 0 HG12 VAL A 13 23.485 5.150 14.857 1.00 0.00 H new ATOM 0 HG13 VAL A 13 23.354 4.068 13.451 1.00 0.00 H new ATOM 0 HG21 VAL A 13 25.946 5.107 12.059 1.00 0.00 H new ATOM 0 HG22 VAL A 13 24.427 4.869 11.164 1.00 0.00 H new ATOM 0 HG23 VAL A 13 25.239 6.453 11.134 1.00 0.00 H new ATOM 225 N VAL A 14 20.866 6.511 14.039 1.00 0.00 N ATOM 226 CA VAL A 14 20.005 6.725 15.222 1.00 0.00 C ATOM 227 C VAL A 14 19.649 5.364 15.846 1.00 0.00 C ATOM 228 O VAL A 14 19.112 4.493 15.152 1.00 0.00 O ATOM 229 CB VAL A 14 18.671 7.479 14.848 1.00 0.00 C ATOM 230 CG1 VAL A 14 17.777 7.723 16.094 1.00 0.00 C ATOM 231 CG2 VAL A 14 18.969 8.803 14.117 1.00 0.00 C ATOM 0 H VAL A 14 20.462 5.868 13.358 1.00 0.00 H new ATOM 0 HA VAL A 14 20.559 7.342 15.929 1.00 0.00 H new ATOM 0 HB VAL A 14 18.115 6.833 14.169 1.00 0.00 H new ATOM 0 HG11 VAL A 14 16.868 8.245 15.793 1.00 0.00 H new ATOM 0 HG12 VAL A 14 17.514 6.767 16.546 1.00 0.00 H new ATOM 0 HG13 VAL A 14 18.320 8.329 16.819 1.00 0.00 H new ATOM 0 HG21 VAL A 14 18.032 9.302 13.871 1.00 0.00 H new ATOM 0 HG22 VAL A 14 19.565 9.448 14.762 1.00 0.00 H new ATOM 0 HG23 VAL A 14 19.521 8.596 13.200 1.00 0.00 H new ATOM 241 N ASN A 15 19.965 5.199 17.148 1.00 0.00 N ATOM 242 CA ASN A 15 19.624 3.999 17.958 1.00 0.00 C ATOM 243 C ASN A 15 20.308 2.724 17.418 1.00 0.00 C ATOM 244 O ASN A 15 19.822 1.605 17.624 1.00 0.00 O ATOM 245 CB ASN A 15 18.072 3.819 18.077 1.00 0.00 C ATOM 246 CG ASN A 15 17.338 5.019 18.707 1.00 0.00 C ATOM 247 OD1 ASN A 15 16.186 5.298 18.373 1.00 0.00 O ATOM 248 ND2 ASN A 15 17.978 5.735 19.623 1.00 0.00 N ATOM 0 H ASN A 15 20.473 5.906 17.680 1.00 0.00 H new ATOM 0 HA ASN A 15 20.015 4.163 18.962 1.00 0.00 H new ATOM 0 HB2 ASN A 15 17.662 3.639 17.083 1.00 0.00 H new ATOM 0 HB3 ASN A 15 17.866 2.930 18.672 1.00 0.00 H new ATOM 0 HD21 ASN A 15 17.516 6.531 20.063 1.00 0.00 H new ATOM 0 HD22 ASN A 15 18.932 5.489 19.887 1.00 0.00 H new ATOM 255 N GLY A 16 21.459 2.919 16.746 1.00 0.00 N ATOM 256 CA GLY A 16 22.225 1.829 16.126 1.00 0.00 C ATOM 257 C GLY A 16 21.862 1.630 14.654 1.00 0.00 C ATOM 258 O GLY A 16 22.675 1.132 13.868 1.00 0.00 O ATOM 0 H GLY A 16 21.881 3.839 16.620 1.00 0.00 H new ATOM 0 HA2 GLY A 16 23.290 2.043 16.210 1.00 0.00 H new ATOM 0 HA3 GLY A 16 22.042 0.903 16.672 1.00 0.00 H new ATOM 262 N LYS A 17 20.646 2.071 14.288 1.00 0.00 N ATOM 263 CA LYS A 17 20.087 1.953 12.939 1.00 0.00 C ATOM 264 C LYS A 17 20.709 3.027 12.031 1.00 0.00 C ATOM 265 O LYS A 17 21.028 4.121 12.489 1.00 0.00 O ATOM 266 CB LYS A 17 18.522 2.097 13.023 1.00 0.00 C ATOM 267 CG LYS A 17 17.887 3.030 11.965 1.00 0.00 C ATOM 268 CD LYS A 17 16.388 3.296 12.193 1.00 0.00 C ATOM 269 CE LYS A 17 16.115 4.011 13.523 1.00 0.00 C ATOM 270 NZ LYS A 17 14.720 4.495 13.602 1.00 0.00 N ATOM 0 H LYS A 17 20.012 2.530 14.942 1.00 0.00 H new ATOM 0 HA LYS A 17 20.320 0.979 12.509 1.00 0.00 H new ATOM 0 HB2 LYS A 17 18.077 1.107 12.925 1.00 0.00 H new ATOM 0 HB3 LYS A 17 18.260 2.467 14.014 1.00 0.00 H new ATOM 0 HG2 LYS A 17 18.420 3.981 11.966 1.00 0.00 H new ATOM 0 HG3 LYS A 17 18.022 2.590 10.977 1.00 0.00 H new ATOM 0 HD2 LYS A 17 16.000 3.900 11.373 1.00 0.00 H new ATOM 0 HD3 LYS A 17 15.847 2.350 12.175 1.00 0.00 H new ATOM 0 HE2 LYS A 17 16.312 3.330 14.351 1.00 0.00 H new ATOM 0 HE3 LYS A 17 16.800 4.852 13.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 14.477 4.692 14.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 14.622 5.366 13.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 14.078 3.768 13.226 1.00 0.00 H new ATOM 284 N VAL A 18 20.840 2.710 10.740 1.00 0.00 N ATOM 285 CA VAL A 18 21.404 3.626 9.733 1.00 0.00 C ATOM 286 C VAL A 18 20.261 4.161 8.854 1.00 0.00 C ATOM 287 O VAL A 18 19.612 3.388 8.143 1.00 0.00 O ATOM 288 CB VAL A 18 22.492 2.917 8.842 1.00 0.00 C ATOM 289 CG1 VAL A 18 23.123 3.901 7.832 1.00 0.00 C ATOM 290 CG2 VAL A 18 23.581 2.248 9.718 1.00 0.00 C ATOM 0 H VAL A 18 20.558 1.807 10.358 1.00 0.00 H new ATOM 0 HA VAL A 18 21.899 4.449 10.249 1.00 0.00 H new ATOM 0 HB VAL A 18 21.990 2.135 8.272 1.00 0.00 H new ATOM 0 HG11 VAL A 18 23.869 3.379 7.233 1.00 0.00 H new ATOM 0 HG12 VAL A 18 22.347 4.299 7.178 1.00 0.00 H new ATOM 0 HG13 VAL A 18 23.599 4.720 8.371 1.00 0.00 H new ATOM 0 HG21 VAL A 18 24.319 1.766 9.076 1.00 0.00 H new ATOM 0 HG22 VAL A 18 24.071 3.005 10.330 1.00 0.00 H new ATOM 0 HG23 VAL A 18 23.120 1.501 10.365 1.00 0.00 H new ATOM 300 N GLU A 19 20.023 5.488 8.908 1.00 0.00 N ATOM 301 CA GLU A 19 18.938 6.149 8.159 1.00 0.00 C ATOM 302 C GLU A 19 19.509 6.902 6.950 1.00 0.00 C ATOM 303 O GLU A 19 20.673 7.316 6.954 1.00 0.00 O ATOM 304 CB GLU A 19 18.140 7.118 9.068 1.00 0.00 C ATOM 305 CG GLU A 19 17.631 6.490 10.382 1.00 0.00 C ATOM 306 CD GLU A 19 16.679 7.403 11.183 1.00 0.00 C ATOM 307 OE1 GLU A 19 16.957 8.617 11.314 1.00 0.00 O ATOM 308 OE2 GLU A 19 15.652 6.904 11.709 1.00 0.00 O ATOM 0 H GLU A 19 20.579 6.130 9.473 1.00 0.00 H new ATOM 0 HA GLU A 19 18.253 5.378 7.805 1.00 0.00 H new ATOM 0 HB2 GLU A 19 18.772 7.973 9.310 1.00 0.00 H new ATOM 0 HB3 GLU A 19 17.286 7.501 8.509 1.00 0.00 H new ATOM 0 HG2 GLU A 19 17.116 5.557 10.152 1.00 0.00 H new ATOM 0 HG3 GLU A 19 18.487 6.236 11.007 1.00 0.00 H new ATOM 315 N TYR A 20 18.661 7.086 5.928 1.00 0.00 N ATOM 316 CA TYR A 20 19.029 7.693 4.639 1.00 0.00 C ATOM 317 C TYR A 20 17.911 8.647 4.182 1.00 0.00 C ATOM 318 O TYR A 20 16.756 8.235 4.074 1.00 0.00 O ATOM 319 CB TYR A 20 19.256 6.593 3.568 1.00 0.00 C ATOM 320 CG TYR A 20 20.504 5.723 3.804 1.00 0.00 C ATOM 321 CD1 TYR A 20 21.762 6.158 3.394 1.00 0.00 C ATOM 322 CD2 TYR A 20 20.422 4.473 4.423 1.00 0.00 C ATOM 323 CE1 TYR A 20 22.881 5.389 3.576 1.00 0.00 C ATOM 324 CE2 TYR A 20 21.550 3.705 4.611 1.00 0.00 C ATOM 325 CZ TYR A 20 22.771 4.171 4.186 1.00 0.00 C ATOM 326 OH TYR A 20 23.895 3.411 4.366 1.00 0.00 O ATOM 0 H TYR A 20 17.680 6.812 5.974 1.00 0.00 H new ATOM 0 HA TYR A 20 19.956 8.253 4.763 1.00 0.00 H new ATOM 0 HB2 TYR A 20 18.379 5.947 3.537 1.00 0.00 H new ATOM 0 HB3 TYR A 20 19.338 7.067 2.590 1.00 0.00 H new ATOM 0 HD1 TYR A 20 21.858 7.124 2.921 1.00 0.00 H new ATOM 0 HD2 TYR A 20 19.463 4.105 4.758 1.00 0.00 H new ATOM 0 HE1 TYR A 20 23.844 5.743 3.239 1.00 0.00 H new ATOM 0 HE2 TYR A 20 21.475 2.740 5.091 1.00 0.00 H new ATOM 0 HH TYR A 20 23.655 2.573 4.814 1.00 0.00 H new ATOM 336 N PHE A 21 18.266 9.919 3.923 1.00 0.00 N ATOM 337 CA PHE A 21 17.306 10.955 3.510 1.00 0.00 C ATOM 338 C PHE A 21 16.986 10.775 2.023 1.00 0.00 C ATOM 339 O PHE A 21 17.837 11.005 1.170 1.00 0.00 O ATOM 340 CB PHE A 21 17.890 12.365 3.787 1.00 0.00 C ATOM 341 CG PHE A 21 16.891 13.496 3.580 1.00 0.00 C ATOM 342 CD1 PHE A 21 15.872 13.711 4.504 1.00 0.00 C ATOM 343 CD2 PHE A 21 16.958 14.329 2.464 1.00 0.00 C ATOM 344 CE1 PHE A 21 14.954 14.723 4.319 1.00 0.00 C ATOM 345 CE2 PHE A 21 16.036 15.338 2.280 1.00 0.00 C ATOM 346 CZ PHE A 21 15.034 15.534 3.207 1.00 0.00 C ATOM 0 H PHE A 21 19.226 10.256 3.995 1.00 0.00 H new ATOM 0 HA PHE A 21 16.385 10.857 4.085 1.00 0.00 H new ATOM 0 HB2 PHE A 21 18.258 12.401 4.813 1.00 0.00 H new ATOM 0 HB3 PHE A 21 18.748 12.527 3.135 1.00 0.00 H new ATOM 0 HD1 PHE A 21 15.800 13.078 5.376 1.00 0.00 H new ATOM 0 HD2 PHE A 21 17.741 14.182 1.735 1.00 0.00 H new ATOM 0 HE1 PHE A 21 14.171 14.881 5.046 1.00 0.00 H new ATOM 0 HE2 PHE A 21 16.099 15.975 1.410 1.00 0.00 H new ATOM 0 HZ PHE A 21 14.311 16.323 3.062 1.00 0.00 H new ATOM 356 N LEU A 22 15.766 10.331 1.734 1.00 0.00 N ATOM 357 CA LEU A 22 15.338 9.958 0.385 1.00 0.00 C ATOM 358 C LEU A 22 14.608 11.104 -0.297 1.00 0.00 C ATOM 359 O LEU A 22 13.643 11.637 0.268 1.00 0.00 O ATOM 360 CB LEU A 22 14.395 8.741 0.456 1.00 0.00 C ATOM 361 CG LEU A 22 15.008 7.434 1.030 1.00 0.00 C ATOM 362 CD1 LEU A 22 14.010 6.272 0.888 1.00 0.00 C ATOM 363 CD2 LEU A 22 16.368 7.100 0.367 1.00 0.00 C ATOM 0 H LEU A 22 15.036 10.218 2.437 1.00 0.00 H new ATOM 0 HA LEU A 22 16.229 9.714 -0.194 1.00 0.00 H new ATOM 0 HB2 LEU A 22 13.532 9.011 1.064 1.00 0.00 H new ATOM 0 HB3 LEU A 22 14.025 8.534 -0.548 1.00 0.00 H new ATOM 0 HG LEU A 22 15.205 7.589 2.091 1.00 0.00 H new ATOM 0 HD11 LEU A 22 14.451 5.362 1.294 1.00 0.00 H new ATOM 0 HD12 LEU A 22 13.097 6.508 1.435 1.00 0.00 H new ATOM 0 HD13 LEU A 22 13.774 6.122 -0.165 1.00 0.00 H new ATOM 0 HD21 LEU A 22 16.765 6.179 0.795 1.00 0.00 H new ATOM 0 HD22 LEU A 22 16.228 6.970 -0.706 1.00 0.00 H new ATOM 0 HD23 LEU A 22 17.070 7.915 0.545 1.00 0.00 H new ATOM 375 N LYS A 23 15.048 11.465 -1.518 1.00 0.00 N ATOM 376 CA LYS A 23 14.285 12.346 -2.389 1.00 0.00 C ATOM 377 C LYS A 23 13.213 11.479 -3.052 1.00 0.00 C ATOM 378 O LYS A 23 13.508 10.773 -4.009 1.00 0.00 O ATOM 379 CB LYS A 23 15.187 13.039 -3.471 1.00 0.00 C ATOM 380 CG LYS A 23 14.671 14.422 -3.966 1.00 0.00 C ATOM 381 CD LYS A 23 13.258 14.385 -4.590 1.00 0.00 C ATOM 382 CE LYS A 23 12.741 15.789 -4.973 1.00 0.00 C ATOM 383 NZ LYS A 23 13.658 16.502 -5.902 1.00 0.00 N ATOM 0 H LYS A 23 15.934 11.152 -1.915 1.00 0.00 H new ATOM 0 HA LYS A 23 13.844 13.156 -1.808 1.00 0.00 H new ATOM 0 HB2 LYS A 23 16.189 13.167 -3.060 1.00 0.00 H new ATOM 0 HB3 LYS A 23 15.277 12.373 -4.329 1.00 0.00 H new ATOM 0 HG2 LYS A 23 14.667 15.117 -3.127 1.00 0.00 H new ATOM 0 HG3 LYS A 23 15.371 14.816 -4.703 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.273 13.753 -5.478 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.565 13.927 -3.884 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.759 15.696 -5.437 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.611 16.384 -4.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.233 17.409 -6.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 14.567 16.676 -5.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.816 15.919 -6.749 1.00 0.00 H new ATOM 397 N TRP A 24 11.996 11.484 -2.498 1.00 0.00 N ATOM 398 CA TRP A 24 10.867 10.759 -3.081 1.00 0.00 C ATOM 399 C TRP A 24 10.536 11.356 -4.454 1.00 0.00 C ATOM 400 O TRP A 24 10.185 12.533 -4.544 1.00 0.00 O ATOM 401 CB TRP A 24 9.648 10.803 -2.141 1.00 0.00 C ATOM 402 CG TRP A 24 9.897 10.164 -0.801 1.00 0.00 C ATOM 403 CD1 TRP A 24 10.033 10.793 0.400 1.00 0.00 C ATOM 404 CD2 TRP A 24 10.068 8.764 -0.537 1.00 0.00 C ATOM 405 NE1 TRP A 24 10.231 9.877 1.392 1.00 0.00 N ATOM 406 CE2 TRP A 24 10.262 8.625 0.838 1.00 0.00 C ATOM 407 CE3 TRP A 24 10.057 7.616 -1.331 1.00 0.00 C ATOM 408 CZ2 TRP A 24 10.449 7.397 1.444 1.00 0.00 C ATOM 409 CZ3 TRP A 24 10.244 6.386 -0.730 1.00 0.00 C ATOM 410 CH2 TRP A 24 10.433 6.283 0.648 1.00 0.00 C ATOM 0 H TRP A 24 11.769 11.987 -1.640 1.00 0.00 H new ATOM 0 HA TRP A 24 11.137 9.711 -3.211 1.00 0.00 H new ATOM 0 HB2 TRP A 24 9.354 11.842 -1.990 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.809 10.301 -2.623 1.00 0.00 H new ATOM 0 HD1 TRP A 24 9.990 11.862 0.546 1.00 0.00 H new ATOM 0 HE1 TRP A 24 10.338 10.090 2.384 1.00 0.00 H new ATOM 0 HE3 TRP A 24 9.905 7.688 -2.398 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 10.603 7.319 2.510 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 10.244 5.492 -1.336 1.00 0.00 H new ATOM 0 HH2 TRP A 24 10.569 5.309 1.094 1.00 0.00 H new ATOM 421 N LYS A 25 10.674 10.528 -5.500 1.00 0.00 N ATOM 422 CA LYS A 25 10.640 10.980 -6.896 1.00 0.00 C ATOM 423 C LYS A 25 9.247 11.522 -7.291 1.00 0.00 C ATOM 424 O LYS A 25 9.136 12.449 -8.093 1.00 0.00 O ATOM 425 CB LYS A 25 11.033 9.810 -7.836 1.00 0.00 C ATOM 426 CG LYS A 25 11.392 10.268 -9.265 1.00 0.00 C ATOM 427 CD LYS A 25 11.259 9.160 -10.320 1.00 0.00 C ATOM 428 CE LYS A 25 9.793 8.743 -10.541 1.00 0.00 C ATOM 429 NZ LYS A 25 8.952 9.872 -11.010 1.00 0.00 N ATOM 0 H LYS A 25 10.813 9.522 -5.400 1.00 0.00 H new ATOM 0 HA LYS A 25 11.356 11.796 -6.999 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.883 9.279 -7.408 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.207 9.101 -7.886 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.747 11.101 -9.543 1.00 0.00 H new ATOM 0 HG3 LYS A 25 12.416 10.642 -9.271 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.683 9.505 -11.263 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.839 8.292 -10.008 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.753 7.935 -11.272 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.385 8.351 -9.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.054 9.504 -11.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.758 10.514 -10.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.453 10.390 -11.759 1.00 0.00 H new ATOM 443 N GLY A 26 8.195 10.915 -6.717 1.00 0.00 N ATOM 444 CA GLY A 26 6.811 11.313 -6.990 1.00 0.00 C ATOM 445 C GLY A 26 6.233 12.267 -5.949 1.00 0.00 C ATOM 446 O GLY A 26 5.012 12.430 -5.870 1.00 0.00 O ATOM 0 H GLY A 26 8.282 10.142 -6.057 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.765 11.787 -7.970 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.188 10.420 -7.038 1.00 0.00 H new ATOM 450 N PHE A 27 7.110 12.896 -5.142 1.00 0.00 N ATOM 451 CA PHE A 27 6.709 13.809 -4.047 1.00 0.00 C ATOM 452 C PHE A 27 7.644 15.032 -4.010 1.00 0.00 C ATOM 453 O PHE A 27 8.776 14.976 -4.503 1.00 0.00 O ATOM 454 CB PHE A 27 6.736 13.074 -2.672 1.00 0.00 C ATOM 455 CG PHE A 27 5.754 11.899 -2.559 1.00 0.00 C ATOM 456 CD1 PHE A 27 4.443 12.099 -2.132 1.00 0.00 C ATOM 457 CD2 PHE A 27 6.147 10.594 -2.879 1.00 0.00 C ATOM 458 CE1 PHE A 27 3.556 11.039 -2.028 1.00 0.00 C ATOM 459 CE2 PHE A 27 5.260 9.538 -2.775 1.00 0.00 C ATOM 460 CZ PHE A 27 3.966 9.761 -2.347 1.00 0.00 C ATOM 0 H PHE A 27 8.120 12.786 -5.229 1.00 0.00 H new ATOM 0 HA PHE A 27 5.689 14.144 -4.237 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.746 12.706 -2.491 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.513 13.794 -1.885 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.113 13.095 -1.878 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.158 10.409 -3.212 1.00 0.00 H new ATOM 0 HE1 PHE A 27 2.543 11.214 -1.697 1.00 0.00 H new ATOM 0 HE2 PHE A 27 5.580 8.538 -3.029 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.275 8.935 -2.262 1.00 0.00 H new ATOM 470 N THR A 28 7.153 16.140 -3.414 1.00 0.00 N ATOM 471 CA THR A 28 7.900 17.413 -3.327 1.00 0.00 C ATOM 472 C THR A 28 9.113 17.304 -2.379 1.00 0.00 C ATOM 473 O THR A 28 9.195 16.384 -1.549 1.00 0.00 O ATOM 474 CB THR A 28 6.964 18.605 -2.905 1.00 0.00 C ATOM 475 OG1 THR A 28 7.702 19.836 -2.802 1.00 0.00 O ATOM 476 CG2 THR A 28 6.232 18.350 -1.581 1.00 0.00 C ATOM 0 H THR A 28 6.230 16.177 -2.981 1.00 0.00 H new ATOM 0 HA THR A 28 8.281 17.624 -4.326 1.00 0.00 H new ATOM 0 HB THR A 28 6.217 18.686 -3.694 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.096 20.560 -2.540 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.602 19.207 -1.343 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.612 17.458 -1.674 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.961 18.203 -0.784 1.00 0.00 H new ATOM 484 N ASP A 29 10.041 18.269 -2.518 1.00 0.00 N ATOM 485 CA ASP A 29 11.336 18.264 -1.814 1.00 0.00 C ATOM 486 C ASP A 29 11.161 18.411 -0.290 1.00 0.00 C ATOM 487 O ASP A 29 11.912 17.824 0.494 1.00 0.00 O ATOM 488 CB ASP A 29 12.237 19.388 -2.376 1.00 0.00 C ATOM 489 CG ASP A 29 13.720 19.231 -1.988 1.00 0.00 C ATOM 490 OD1 ASP A 29 14.387 18.317 -2.528 1.00 0.00 O ATOM 491 OD2 ASP A 29 14.230 20.019 -1.158 1.00 0.00 O ATOM 0 H ASP A 29 9.912 19.078 -3.125 1.00 0.00 H new ATOM 0 HA ASP A 29 11.814 17.300 -1.987 1.00 0.00 H new ATOM 0 HB2 ASP A 29 12.152 19.403 -3.463 1.00 0.00 H new ATOM 0 HB3 ASP A 29 11.874 20.350 -2.015 1.00 0.00 H new ATOM 496 N ALA A 30 10.143 19.187 0.117 1.00 0.00 N ATOM 497 CA ALA A 30 9.811 19.401 1.541 1.00 0.00 C ATOM 498 C ALA A 30 9.162 18.144 2.172 1.00 0.00 C ATOM 499 O ALA A 30 9.201 17.965 3.398 1.00 0.00 O ATOM 500 CB ALA A 30 8.884 20.616 1.680 1.00 0.00 C ATOM 0 H ALA A 30 9.527 19.683 -0.527 1.00 0.00 H new ATOM 0 HA ALA A 30 10.738 19.592 2.082 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.642 20.770 2.731 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.384 21.502 1.289 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.967 20.440 1.118 1.00 0.00 H new ATOM 506 N ASP A 31 8.579 17.276 1.321 1.00 0.00 N ATOM 507 CA ASP A 31 7.862 16.051 1.753 1.00 0.00 C ATOM 508 C ASP A 31 8.838 14.849 1.865 1.00 0.00 C ATOM 509 O ASP A 31 8.449 13.753 2.293 1.00 0.00 O ATOM 510 CB ASP A 31 6.716 15.762 0.739 1.00 0.00 C ATOM 511 CG ASP A 31 5.769 14.617 1.149 1.00 0.00 C ATOM 512 OD1 ASP A 31 4.906 14.825 2.034 1.00 0.00 O ATOM 513 OD2 ASP A 31 5.876 13.513 0.593 1.00 0.00 O ATOM 0 H ASP A 31 8.590 17.402 0.309 1.00 0.00 H new ATOM 0 HA ASP A 31 7.434 16.204 2.744 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.129 16.671 0.606 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.157 15.522 -0.229 1.00 0.00 H new ATOM 518 N ASN A 32 10.114 15.070 1.491 1.00 0.00 N ATOM 519 CA ASN A 32 11.167 14.032 1.560 1.00 0.00 C ATOM 520 C ASN A 32 11.535 13.713 3.020 1.00 0.00 C ATOM 521 O ASN A 32 11.645 14.627 3.844 1.00 0.00 O ATOM 522 CB ASN A 32 12.416 14.473 0.759 1.00 0.00 C ATOM 523 CG ASN A 32 12.154 14.726 -0.736 1.00 0.00 C ATOM 524 OD1 ASN A 32 12.885 15.479 -1.371 1.00 0.00 O ATOM 525 ND2 ASN A 32 11.123 14.105 -1.319 1.00 0.00 N ATOM 0 H ASN A 32 10.444 15.967 1.134 1.00 0.00 H new ATOM 0 HA ASN A 32 10.775 13.120 1.110 1.00 0.00 H new ATOM 0 HB2 ASN A 32 12.816 15.384 1.205 1.00 0.00 H new ATOM 0 HB3 ASN A 32 13.185 13.706 0.856 1.00 0.00 H new ATOM 0 HD21 ASN A 32 10.932 14.254 -2.310 1.00 0.00 H new ATOM 0 HD22 ASN A 32 10.527 13.483 -0.773 1.00 0.00 H new ATOM 532 N THR A 33 11.721 12.410 3.328 1.00 0.00 N ATOM 533 CA THR A 33 11.871 11.913 4.719 1.00 0.00 C ATOM 534 C THR A 33 13.101 10.993 4.870 1.00 0.00 C ATOM 535 O THR A 33 13.669 10.521 3.879 1.00 0.00 O ATOM 536 CB THR A 33 10.588 11.125 5.170 1.00 0.00 C ATOM 537 OG1 THR A 33 10.373 10.001 4.307 1.00 0.00 O ATOM 538 CG2 THR A 33 9.321 12.000 5.170 1.00 0.00 C ATOM 0 H THR A 33 11.772 11.674 2.624 1.00 0.00 H new ATOM 0 HA THR A 33 12.009 12.789 5.353 1.00 0.00 H new ATOM 0 HB THR A 33 10.768 10.796 6.194 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.355 9.178 4.839 1.00 0.00 H new ATOM 0 HG21 THR A 33 8.467 11.403 5.490 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.456 12.836 5.856 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.142 12.381 4.164 1.00 0.00 H new ATOM 546 N TRP A 34 13.489 10.751 6.135 1.00 0.00 N ATOM 547 CA TRP A 34 14.551 9.797 6.505 1.00 0.00 C ATOM 548 C TRP A 34 13.976 8.369 6.590 1.00 0.00 C ATOM 549 O TRP A 34 13.116 8.099 7.433 1.00 0.00 O ATOM 550 CB TRP A 34 15.177 10.172 7.879 1.00 0.00 C ATOM 551 CG TRP A 34 16.063 11.393 7.861 1.00 0.00 C ATOM 552 CD1 TRP A 34 15.724 12.687 8.146 1.00 0.00 C ATOM 553 CD2 TRP A 34 17.453 11.405 7.548 1.00 0.00 C ATOM 554 NE1 TRP A 34 16.827 13.493 8.032 1.00 0.00 N ATOM 555 CE2 TRP A 34 17.901 12.730 7.658 1.00 0.00 C ATOM 556 CE3 TRP A 34 18.362 10.414 7.184 1.00 0.00 C ATOM 557 CZ2 TRP A 34 19.225 13.078 7.426 1.00 0.00 C ATOM 558 CZ3 TRP A 34 19.667 10.760 6.942 1.00 0.00 C ATOM 559 CH2 TRP A 34 20.090 12.082 7.062 1.00 0.00 C ATOM 0 H TRP A 34 13.069 11.218 6.939 1.00 0.00 H new ATOM 0 HA TRP A 34 15.323 9.840 5.737 1.00 0.00 H new ATOM 0 HB2 TRP A 34 14.372 10.335 8.596 1.00 0.00 H new ATOM 0 HB3 TRP A 34 15.759 9.324 8.240 1.00 0.00 H new ATOM 0 HD1 TRP A 34 14.735 13.024 8.420 1.00 0.00 H new ATOM 0 HE1 TRP A 34 16.845 14.499 8.199 1.00 0.00 H new ATOM 0 HE3 TRP A 34 18.043 9.386 7.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 19.561 14.099 7.529 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 20.376 9.998 6.655 1.00 0.00 H new ATOM 0 HH2 TRP A 34 21.123 12.326 6.863 1.00 0.00 H new ATOM 570 N GLU A 35 14.452 7.462 5.719 1.00 0.00 N ATOM 571 CA GLU A 35 14.131 6.024 5.798 1.00 0.00 C ATOM 572 C GLU A 35 15.410 5.210 6.048 1.00 0.00 C ATOM 573 O GLU A 35 16.409 5.417 5.352 1.00 0.00 O ATOM 574 CB GLU A 35 13.464 5.512 4.507 1.00 0.00 C ATOM 575 CG GLU A 35 12.146 6.210 4.127 1.00 0.00 C ATOM 576 CD GLU A 35 11.064 6.234 5.231 1.00 0.00 C ATOM 577 OE1 GLU A 35 10.937 5.256 5.995 1.00 0.00 O ATOM 578 OE2 GLU A 35 10.301 7.222 5.309 1.00 0.00 O ATOM 0 H GLU A 35 15.068 7.703 4.943 1.00 0.00 H new ATOM 0 HA GLU A 35 13.432 5.896 6.624 1.00 0.00 H new ATOM 0 HB2 GLU A 35 14.168 5.628 3.683 1.00 0.00 H new ATOM 0 HB3 GLU A 35 13.273 4.444 4.615 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.369 7.237 3.839 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.733 5.715 3.248 1.00 0.00 H new ATOM 585 N PRO A 36 15.402 4.268 7.039 1.00 0.00 N ATOM 586 CA PRO A 36 16.551 3.368 7.287 1.00 0.00 C ATOM 587 C PRO A 36 16.800 2.376 6.132 1.00 0.00 C ATOM 588 O PRO A 36 15.944 2.184 5.257 1.00 0.00 O ATOM 589 CB PRO A 36 16.171 2.651 8.602 1.00 0.00 C ATOM 590 CG PRO A 36 14.677 2.732 8.671 1.00 0.00 C ATOM 591 CD PRO A 36 14.291 4.028 7.997 1.00 0.00 C ATOM 0 HA PRO A 36 17.492 3.914 7.358 1.00 0.00 H new ATOM 0 HB2 PRO A 36 16.510 1.615 8.599 1.00 0.00 H new ATOM 0 HB3 PRO A 36 16.633 3.135 9.463 1.00 0.00 H new ATOM 0 HG2 PRO A 36 14.218 1.881 8.169 1.00 0.00 H new ATOM 0 HG3 PRO A 36 14.334 2.715 9.705 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.332 3.944 7.486 1.00 0.00 H new ATOM 0 HD3 PRO A 36 14.199 4.842 8.716 1.00 0.00 H new ATOM 599 N GLU A 37 17.993 1.758 6.160 1.00 0.00 N ATOM 600 CA GLU A 37 18.456 0.794 5.137 1.00 0.00 C ATOM 601 C GLU A 37 17.516 -0.436 5.009 1.00 0.00 C ATOM 602 O GLU A 37 17.389 -1.011 3.922 1.00 0.00 O ATOM 603 CB GLU A 37 19.959 0.399 5.391 1.00 0.00 C ATOM 604 CG GLU A 37 20.369 0.159 6.867 1.00 0.00 C ATOM 605 CD GLU A 37 19.737 -1.086 7.500 1.00 0.00 C ATOM 606 OE1 GLU A 37 20.230 -2.203 7.252 1.00 0.00 O ATOM 607 OE2 GLU A 37 18.740 -0.957 8.233 1.00 0.00 O ATOM 0 H GLU A 37 18.675 1.913 6.902 1.00 0.00 H new ATOM 0 HA GLU A 37 18.410 1.287 4.166 1.00 0.00 H new ATOM 0 HB2 GLU A 37 20.174 -0.507 4.825 1.00 0.00 H new ATOM 0 HB3 GLU A 37 20.593 1.187 4.984 1.00 0.00 H new ATOM 0 HG2 GLU A 37 21.454 0.069 6.921 1.00 0.00 H new ATOM 0 HG3 GLU A 37 20.092 1.033 7.456 1.00 0.00 H new ATOM 614 N GLU A 38 16.847 -0.795 6.120 1.00 0.00 N ATOM 615 CA GLU A 38 15.852 -1.890 6.163 1.00 0.00 C ATOM 616 C GLU A 38 14.640 -1.573 5.256 1.00 0.00 C ATOM 617 O GLU A 38 14.054 -2.477 4.647 1.00 0.00 O ATOM 618 CB GLU A 38 15.388 -2.148 7.627 1.00 0.00 C ATOM 619 CG GLU A 38 14.887 -0.888 8.354 1.00 0.00 C ATOM 620 CD GLU A 38 14.273 -1.166 9.731 1.00 0.00 C ATOM 621 OE1 GLU A 38 15.028 -1.425 10.696 1.00 0.00 O ATOM 622 OE2 GLU A 38 13.036 -1.128 9.861 1.00 0.00 O ATOM 0 H GLU A 38 16.980 -0.333 7.020 1.00 0.00 H new ATOM 0 HA GLU A 38 16.328 -2.795 5.786 1.00 0.00 H new ATOM 0 HB2 GLU A 38 14.591 -2.892 7.619 1.00 0.00 H new ATOM 0 HB3 GLU A 38 16.218 -2.575 8.191 1.00 0.00 H new ATOM 0 HG2 GLU A 38 15.719 -0.194 8.472 1.00 0.00 H new ATOM 0 HG3 GLU A 38 14.144 -0.392 7.730 1.00 0.00 H new ATOM 629 N ASN A 39 14.289 -0.273 5.175 1.00 0.00 N ATOM 630 CA ASN A 39 13.193 0.223 4.326 1.00 0.00 C ATOM 631 C ASN A 39 13.619 0.288 2.854 1.00 0.00 C ATOM 632 O ASN A 39 12.798 0.056 1.959 1.00 0.00 O ATOM 633 CB ASN A 39 12.710 1.622 4.798 1.00 0.00 C ATOM 634 CG ASN A 39 12.012 1.598 6.157 1.00 0.00 C ATOM 635 OD1 ASN A 39 12.407 0.874 7.053 1.00 0.00 O ATOM 636 ND2 ASN A 39 10.968 2.399 6.322 1.00 0.00 N ATOM 0 H ASN A 39 14.762 0.463 5.700 1.00 0.00 H new ATOM 0 HA ASN A 39 12.366 -0.481 4.418 1.00 0.00 H new ATOM 0 HB2 ASN A 39 13.566 2.295 4.850 1.00 0.00 H new ATOM 0 HB3 ASN A 39 12.027 2.032 4.054 1.00 0.00 H new ATOM 0 HD21 ASN A 39 10.476 2.418 7.215 1.00 0.00 H new ATOM 0 HD22 ASN A 39 10.657 2.996 5.556 1.00 0.00 H new ATOM 643 N LEU A 40 14.907 0.593 2.608 1.00 0.00 N ATOM 644 CA LEU A 40 15.426 0.800 1.243 1.00 0.00 C ATOM 645 C LEU A 40 15.288 -0.473 0.396 1.00 0.00 C ATOM 646 O LEU A 40 15.753 -1.537 0.803 1.00 0.00 O ATOM 647 CB LEU A 40 16.908 1.250 1.267 1.00 0.00 C ATOM 648 CG LEU A 40 17.227 2.532 2.095 1.00 0.00 C ATOM 649 CD1 LEU A 40 18.673 2.993 1.858 1.00 0.00 C ATOM 650 CD2 LEU A 40 16.228 3.666 1.814 1.00 0.00 C ATOM 0 H LEU A 40 15.609 0.702 3.340 1.00 0.00 H new ATOM 0 HA LEU A 40 14.827 1.590 0.790 1.00 0.00 H new ATOM 0 HB2 LEU A 40 17.508 0.430 1.661 1.00 0.00 H new ATOM 0 HB3 LEU A 40 17.232 1.417 0.240 1.00 0.00 H new ATOM 0 HG LEU A 40 17.122 2.271 3.148 1.00 0.00 H new ATOM 0 HD11 LEU A 40 18.870 3.889 2.447 1.00 0.00 H new ATOM 0 HD12 LEU A 40 19.361 2.202 2.158 1.00 0.00 H new ATOM 0 HD13 LEU A 40 18.815 3.215 0.800 1.00 0.00 H new ATOM 0 HD21 LEU A 40 16.490 4.538 2.413 1.00 0.00 H new ATOM 0 HD22 LEU A 40 16.263 3.928 0.757 1.00 0.00 H new ATOM 0 HD23 LEU A 40 15.222 3.337 2.073 1.00 0.00 H new ATOM 662 N ASP A 41 14.625 -0.348 -0.766 1.00 0.00 N ATOM 663 CA ASP A 41 14.508 -1.434 -1.755 1.00 0.00 C ATOM 664 C ASP A 41 15.395 -1.074 -2.975 1.00 0.00 C ATOM 665 O ASP A 41 15.267 -1.621 -4.079 1.00 0.00 O ATOM 666 CB ASP A 41 13.006 -1.607 -2.120 1.00 0.00 C ATOM 667 CG ASP A 41 12.737 -2.755 -3.097 1.00 0.00 C ATOM 668 OD1 ASP A 41 12.937 -3.928 -2.714 1.00 0.00 O ATOM 669 OD2 ASP A 41 12.311 -2.497 -4.243 1.00 0.00 O ATOM 0 H ASP A 41 14.153 0.512 -1.047 1.00 0.00 H new ATOM 0 HA ASP A 41 14.858 -2.390 -1.365 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.437 -1.779 -1.206 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.638 -0.678 -2.555 1.00 0.00 H new ATOM 674 N CYS A 42 16.347 -0.155 -2.733 1.00 0.00 N ATOM 675 CA CYS A 42 17.240 0.372 -3.760 1.00 0.00 C ATOM 676 C CYS A 42 18.711 0.244 -3.311 1.00 0.00 C ATOM 677 O CYS A 42 19.268 1.177 -2.728 1.00 0.00 O ATOM 678 CB CYS A 42 16.847 1.843 -4.023 1.00 0.00 C ATOM 679 SG CYS A 42 16.769 2.883 -2.542 1.00 0.00 S ATOM 0 H CYS A 42 16.513 0.241 -1.808 1.00 0.00 H new ATOM 0 HA CYS A 42 17.143 -0.197 -4.684 1.00 0.00 H new ATOM 0 HB2 CYS A 42 17.565 2.278 -4.718 1.00 0.00 H new ATOM 0 HB3 CYS A 42 15.875 1.862 -4.515 1.00 0.00 H new ATOM 0 HG CYS A 42 17.822 2.674 -1.809 1.00 0.00 H new ATOM 685 N PRO A 43 19.371 -0.932 -3.590 1.00 0.00 N ATOM 686 CA PRO A 43 20.819 -1.118 -3.318 1.00 0.00 C ATOM 687 C PRO A 43 21.693 -0.275 -4.269 1.00 0.00 C ATOM 688 O PRO A 43 22.810 0.120 -3.913 1.00 0.00 O ATOM 689 CB PRO A 43 21.031 -2.639 -3.530 1.00 0.00 C ATOM 690 CG PRO A 43 19.946 -3.038 -4.485 1.00 0.00 C ATOM 691 CD PRO A 43 18.752 -2.182 -4.123 1.00 0.00 C ATOM 0 HA PRO A 43 21.108 -0.788 -2.320 1.00 0.00 H new ATOM 0 HB2 PRO A 43 22.019 -2.849 -3.941 1.00 0.00 H new ATOM 0 HB3 PRO A 43 20.954 -3.186 -2.590 1.00 0.00 H new ATOM 0 HG2 PRO A 43 20.251 -2.869 -5.518 1.00 0.00 H new ATOM 0 HG3 PRO A 43 19.711 -4.098 -4.391 1.00 0.00 H new ATOM 0 HD2 PRO A 43 18.124 -1.981 -4.991 1.00 0.00 H new ATOM 0 HD3 PRO A 43 18.121 -2.667 -3.378 1.00 0.00 H new ATOM 699 N GLU A 44 21.151 0.004 -5.472 1.00 0.00 N ATOM 700 CA GLU A 44 21.821 0.815 -6.501 1.00 0.00 C ATOM 701 C GLU A 44 21.939 2.285 -6.061 1.00 0.00 C ATOM 702 O GLU A 44 22.951 2.923 -6.323 1.00 0.00 O ATOM 703 CB GLU A 44 21.065 0.715 -7.857 1.00 0.00 C ATOM 704 CG GLU A 44 19.590 1.182 -7.814 1.00 0.00 C ATOM 705 CD GLU A 44 18.919 1.187 -9.192 1.00 0.00 C ATOM 706 OE1 GLU A 44 19.218 2.095 -9.994 1.00 0.00 O ATOM 707 OE2 GLU A 44 18.108 0.279 -9.488 1.00 0.00 O ATOM 0 H GLU A 44 20.230 -0.331 -5.756 1.00 0.00 H new ATOM 0 HA GLU A 44 22.828 0.419 -6.633 1.00 0.00 H new ATOM 0 HB2 GLU A 44 21.598 1.310 -8.599 1.00 0.00 H new ATOM 0 HB3 GLU A 44 21.094 -0.320 -8.198 1.00 0.00 H new ATOM 0 HG2 GLU A 44 19.028 0.530 -7.146 1.00 0.00 H new ATOM 0 HG3 GLU A 44 19.545 2.186 -7.391 1.00 0.00 H new ATOM 714 N LEU A 45 20.888 2.806 -5.394 1.00 0.00 N ATOM 715 CA LEU A 45 20.838 4.207 -4.928 1.00 0.00 C ATOM 716 C LEU A 45 21.660 4.398 -3.635 1.00 0.00 C ATOM 717 O LEU A 45 22.101 5.516 -3.340 1.00 0.00 O ATOM 718 CB LEU A 45 19.364 4.668 -4.757 1.00 0.00 C ATOM 719 CG LEU A 45 18.466 4.551 -6.043 1.00 0.00 C ATOM 720 CD1 LEU A 45 17.030 5.059 -5.778 1.00 0.00 C ATOM 721 CD2 LEU A 45 19.104 5.268 -7.262 1.00 0.00 C ATOM 0 H LEU A 45 20.052 2.268 -5.164 1.00 0.00 H new ATOM 0 HA LEU A 45 21.297 4.841 -5.687 1.00 0.00 H new ATOM 0 HB2 LEU A 45 18.907 4.080 -3.961 1.00 0.00 H new ATOM 0 HB3 LEU A 45 19.362 5.707 -4.427 1.00 0.00 H new ATOM 0 HG LEU A 45 18.401 3.492 -6.292 1.00 0.00 H new ATOM 0 HD11 LEU A 45 16.437 4.964 -6.687 1.00 0.00 H new ATOM 0 HD12 LEU A 45 16.575 4.466 -4.984 1.00 0.00 H new ATOM 0 HD13 LEU A 45 17.064 6.106 -5.475 1.00 0.00 H new ATOM 0 HD21 LEU A 45 18.451 5.163 -8.129 1.00 0.00 H new ATOM 0 HD22 LEU A 45 19.236 6.326 -7.034 1.00 0.00 H new ATOM 0 HD23 LEU A 45 20.073 4.820 -7.481 1.00 0.00 H new ATOM 733 N ILE A 46 21.863 3.295 -2.872 1.00 0.00 N ATOM 734 CA ILE A 46 22.816 3.267 -1.736 1.00 0.00 C ATOM 735 C ILE A 46 24.245 3.400 -2.287 1.00 0.00 C ATOM 736 O ILE A 46 25.005 4.276 -1.875 1.00 0.00 O ATOM 737 CB ILE A 46 22.705 1.934 -0.896 1.00 0.00 C ATOM 738 CG1 ILE A 46 21.260 1.744 -0.341 1.00 0.00 C ATOM 739 CG2 ILE A 46 23.740 1.897 0.263 1.00 0.00 C ATOM 740 CD1 ILE A 46 21.003 0.403 0.339 1.00 0.00 C ATOM 0 H ILE A 46 21.377 2.411 -3.024 1.00 0.00 H new ATOM 0 HA ILE A 46 22.573 4.096 -1.071 1.00 0.00 H new ATOM 0 HB ILE A 46 22.930 1.108 -1.570 1.00 0.00 H new ATOM 0 HG12 ILE A 46 21.053 2.542 0.372 1.00 0.00 H new ATOM 0 HG13 ILE A 46 20.553 1.859 -1.163 1.00 0.00 H new ATOM 0 HG21 ILE A 46 23.632 0.965 0.817 1.00 0.00 H new ATOM 0 HG22 ILE A 46 24.748 1.961 -0.147 1.00 0.00 H new ATOM 0 HG23 ILE A 46 23.567 2.739 0.933 1.00 0.00 H new ATOM 0 HD11 ILE A 46 19.972 0.365 0.691 1.00 0.00 H new ATOM 0 HD12 ILE A 46 21.173 -0.405 -0.373 1.00 0.00 H new ATOM 0 HD13 ILE A 46 21.680 0.289 1.185 1.00 0.00 H new ATOM 752 N GLU A 47 24.561 2.523 -3.258 1.00 0.00 N ATOM 753 CA GLU A 47 25.856 2.492 -3.964 1.00 0.00 C ATOM 754 C GLU A 47 26.164 3.853 -4.610 1.00 0.00 C ATOM 755 O GLU A 47 27.275 4.370 -4.485 1.00 0.00 O ATOM 756 CB GLU A 47 25.835 1.382 -5.050 1.00 0.00 C ATOM 757 CG GLU A 47 27.097 1.308 -5.938 1.00 0.00 C ATOM 758 CD GLU A 47 26.995 0.241 -7.043 1.00 0.00 C ATOM 759 OE1 GLU A 47 27.273 -0.945 -6.770 1.00 0.00 O ATOM 760 OE2 GLU A 47 26.628 0.580 -8.191 1.00 0.00 O ATOM 0 H GLU A 47 23.913 1.804 -3.579 1.00 0.00 H new ATOM 0 HA GLU A 47 26.639 2.275 -3.238 1.00 0.00 H new ATOM 0 HB2 GLU A 47 25.698 0.418 -4.559 1.00 0.00 H new ATOM 0 HB3 GLU A 47 24.968 1.539 -5.691 1.00 0.00 H new ATOM 0 HG2 GLU A 47 27.269 2.282 -6.396 1.00 0.00 H new ATOM 0 HG3 GLU A 47 27.963 1.093 -5.312 1.00 0.00 H new ATOM 767 N ALA A 48 25.137 4.425 -5.266 1.00 0.00 N ATOM 768 CA ALA A 48 25.238 5.706 -5.990 1.00 0.00 C ATOM 769 C ALA A 48 25.608 6.840 -5.031 1.00 0.00 C ATOM 770 O ALA A 48 26.471 7.660 -5.334 1.00 0.00 O ATOM 771 CB ALA A 48 23.913 6.032 -6.695 1.00 0.00 C ATOM 0 H ALA A 48 24.207 4.008 -5.309 1.00 0.00 H new ATOM 0 HA ALA A 48 26.023 5.610 -6.740 1.00 0.00 H new ATOM 0 HB1 ALA A 48 24.006 6.980 -7.224 1.00 0.00 H new ATOM 0 HB2 ALA A 48 23.675 5.241 -7.407 1.00 0.00 H new ATOM 0 HB3 ALA A 48 23.116 6.106 -5.955 1.00 0.00 H new ATOM 777 N PHE A 49 24.941 6.839 -3.864 1.00 0.00 N ATOM 778 CA PHE A 49 25.184 7.800 -2.773 1.00 0.00 C ATOM 779 C PHE A 49 26.643 7.722 -2.279 1.00 0.00 C ATOM 780 O PHE A 49 27.310 8.754 -2.135 1.00 0.00 O ATOM 781 CB PHE A 49 24.191 7.521 -1.616 1.00 0.00 C ATOM 782 CG PHE A 49 24.506 8.252 -0.315 1.00 0.00 C ATOM 783 CD1 PHE A 49 24.408 9.640 -0.233 1.00 0.00 C ATOM 784 CD2 PHE A 49 24.913 7.546 0.821 1.00 0.00 C ATOM 785 CE1 PHE A 49 24.703 10.297 0.942 1.00 0.00 C ATOM 786 CE2 PHE A 49 25.205 8.207 1.991 1.00 0.00 C ATOM 787 CZ PHE A 49 25.101 9.582 2.050 1.00 0.00 C ATOM 0 H PHE A 49 24.209 6.162 -3.649 1.00 0.00 H new ATOM 0 HA PHE A 49 25.023 8.811 -3.147 1.00 0.00 H new ATOM 0 HB2 PHE A 49 23.189 7.801 -1.940 1.00 0.00 H new ATOM 0 HB3 PHE A 49 24.175 6.449 -1.420 1.00 0.00 H new ATOM 0 HD1 PHE A 49 24.098 10.206 -1.099 1.00 0.00 H new ATOM 0 HD2 PHE A 49 24.999 6.470 0.779 1.00 0.00 H new ATOM 0 HE1 PHE A 49 24.622 11.373 0.994 1.00 0.00 H new ATOM 0 HE2 PHE A 49 25.515 7.651 2.863 1.00 0.00 H new ATOM 0 HZ PHE A 49 25.333 10.100 2.969 1.00 0.00 H new ATOM 797 N LEU A 50 27.116 6.487 -2.033 1.00 0.00 N ATOM 798 CA LEU A 50 28.493 6.220 -1.568 1.00 0.00 C ATOM 799 C LEU A 50 29.522 6.732 -2.599 1.00 0.00 C ATOM 800 O LEU A 50 30.546 7.310 -2.234 1.00 0.00 O ATOM 801 CB LEU A 50 28.676 4.703 -1.291 1.00 0.00 C ATOM 802 CG LEU A 50 27.728 4.095 -0.201 1.00 0.00 C ATOM 803 CD1 LEU A 50 27.894 2.563 -0.104 1.00 0.00 C ATOM 804 CD2 LEU A 50 27.937 4.772 1.176 1.00 0.00 C ATOM 0 H LEU A 50 26.555 5.643 -2.151 1.00 0.00 H new ATOM 0 HA LEU A 50 28.664 6.759 -0.636 1.00 0.00 H new ATOM 0 HB2 LEU A 50 28.523 4.160 -2.224 1.00 0.00 H new ATOM 0 HB3 LEU A 50 29.708 4.529 -0.987 1.00 0.00 H new ATOM 0 HG LEU A 50 26.703 4.297 -0.511 1.00 0.00 H new ATOM 0 HD11 LEU A 50 27.223 2.172 0.661 1.00 0.00 H new ATOM 0 HD12 LEU A 50 27.652 2.109 -1.065 1.00 0.00 H new ATOM 0 HD13 LEU A 50 28.924 2.325 0.161 1.00 0.00 H new ATOM 0 HD21 LEU A 50 27.263 4.325 1.907 1.00 0.00 H new ATOM 0 HD22 LEU A 50 28.968 4.630 1.499 1.00 0.00 H new ATOM 0 HD23 LEU A 50 27.727 5.838 1.093 1.00 0.00 H new ATOM 816 N ASN A 51 29.191 6.554 -3.893 1.00 0.00 N ATOM 817 CA ASN A 51 30.030 7.011 -5.024 1.00 0.00 C ATOM 818 C ASN A 51 29.956 8.542 -5.193 1.00 0.00 C ATOM 819 O ASN A 51 30.862 9.149 -5.767 1.00 0.00 O ATOM 820 CB ASN A 51 29.595 6.312 -6.347 1.00 0.00 C ATOM 821 CG ASN A 51 29.760 4.791 -6.320 1.00 0.00 C ATOM 822 OD1 ASN A 51 30.620 4.253 -5.616 1.00 0.00 O ATOM 823 ND2 ASN A 51 28.944 4.082 -7.090 1.00 0.00 N ATOM 0 H ASN A 51 28.332 6.088 -4.187 1.00 0.00 H new ATOM 0 HA ASN A 51 31.061 6.739 -4.799 1.00 0.00 H new ATOM 0 HB2 ASN A 51 28.551 6.552 -6.549 1.00 0.00 H new ATOM 0 HB3 ASN A 51 30.181 6.718 -7.172 1.00 0.00 H new ATOM 0 HD21 ASN A 51 29.018 3.065 -7.111 1.00 0.00 H new ATOM 0 HD22 ASN A 51 28.243 4.554 -7.661 1.00 0.00 H new ATOM 830 N SER A 52 28.852 9.155 -4.721 1.00 0.00 N ATOM 831 CA SER A 52 28.646 10.618 -4.786 1.00 0.00 C ATOM 832 C SER A 52 29.363 11.338 -3.629 1.00 0.00 C ATOM 833 O SER A 52 29.607 12.547 -3.712 1.00 0.00 O ATOM 834 CB SER A 52 27.132 10.947 -4.772 1.00 0.00 C ATOM 835 OG SER A 52 26.479 10.354 -5.877 1.00 0.00 O ATOM 0 H SER A 52 28.079 8.652 -4.285 1.00 0.00 H new ATOM 0 HA SER A 52 29.078 10.977 -5.720 1.00 0.00 H new ATOM 0 HB2 SER A 52 26.686 10.588 -3.845 1.00 0.00 H new ATOM 0 HB3 SER A 52 26.990 12.027 -4.797 1.00 0.00 H new ATOM 0 HG SER A 52 26.298 9.411 -5.682 1.00 0.00 H new ATOM 841 N GLN A 53 29.681 10.594 -2.546 1.00 0.00 N ATOM 842 CA GLN A 53 30.404 11.149 -1.387 1.00 0.00 C ATOM 843 C GLN A 53 31.896 11.372 -1.734 1.00 0.00 C ATOM 844 O GLN A 53 32.325 12.523 -1.894 1.00 0.00 O ATOM 845 CB GLN A 53 30.253 10.237 -0.137 1.00 0.00 C ATOM 846 CG GLN A 53 28.818 10.142 0.417 1.00 0.00 C ATOM 847 CD GLN A 53 28.752 9.430 1.766 1.00 0.00 C ATOM 848 OE1 GLN A 53 28.563 8.117 1.755 1.00 0.00 O flip ATOM 849 NE2 GLN A 53 28.867 10.060 2.818 1.00 0.00 N flip ATOM 0 H GLN A 53 29.446 9.606 -2.454 1.00 0.00 H new ATOM 0 HA GLN A 53 29.960 12.114 -1.144 1.00 0.00 H new ATOM 0 HB2 GLN A 53 30.598 9.235 -0.391 1.00 0.00 H new ATOM 0 HB3 GLN A 53 30.909 10.610 0.650 1.00 0.00 H new ATOM 0 HG2 GLN A 53 28.406 11.146 0.520 1.00 0.00 H new ATOM 0 HG3 GLN A 53 28.191 9.612 -0.300 1.00 0.00 H new ATOM 0 HE21 GLN A 53 29.012 11.069 2.795 1.00 0.00 H new ATOM 0 HE22 GLN A 53 28.818 9.572 3.713 1.00 0.00 H new ATOM 858 N LYS A 54 32.648 10.254 -1.879 1.00 0.00 N ATOM 859 CA LYS A 54 34.111 10.252 -2.125 1.00 0.00 C ATOM 860 C LYS A 54 34.867 11.006 -0.992 1.00 0.00 C ATOM 861 O LYS A 54 35.236 12.183 -1.165 1.00 0.00 O ATOM 862 CB LYS A 54 34.452 10.809 -3.548 1.00 0.00 C ATOM 863 CG LYS A 54 33.876 9.978 -4.720 1.00 0.00 C ATOM 864 CD LYS A 54 34.431 8.535 -4.769 1.00 0.00 C ATOM 865 CE LYS A 54 33.854 7.722 -5.945 1.00 0.00 C ATOM 866 NZ LYS A 54 34.116 8.366 -7.264 1.00 0.00 N ATOM 867 OXT LYS A 54 35.038 10.418 0.099 1.00 0.00 O ATOM 0 H LYS A 54 32.250 9.316 -1.828 1.00 0.00 H new ATOM 0 HA LYS A 54 34.458 9.219 -2.106 1.00 0.00 H new ATOM 0 HB2 LYS A 54 34.076 11.829 -3.624 1.00 0.00 H new ATOM 0 HB3 LYS A 54 35.536 10.860 -3.654 1.00 0.00 H new ATOM 0 HG2 LYS A 54 32.790 9.941 -4.632 1.00 0.00 H new ATOM 0 HG3 LYS A 54 34.103 10.481 -5.660 1.00 0.00 H new ATOM 0 HD2 LYS A 54 35.517 8.569 -4.853 1.00 0.00 H new ATOM 0 HD3 LYS A 54 34.200 8.028 -3.832 1.00 0.00 H new ATOM 0 HE2 LYS A 54 34.288 6.722 -5.939 1.00 0.00 H new ATOM 0 HE3 LYS A 54 32.779 7.604 -5.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 33.863 7.708 -8.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 33.544 9.230 -7.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 35.124 8.610 -7.337 1.00 0.00 H new TER 881 LYS A 54 ATOM 882 N ALA B 1 21.416 7.089 -13.984 1.00 0.00 N ATOM 883 CA ALA B 1 21.628 8.314 -13.190 1.00 0.00 C ATOM 884 C ALA B 1 20.368 8.640 -12.382 1.00 0.00 C ATOM 885 O ALA B 1 20.386 8.594 -11.145 1.00 0.00 O ATOM 886 CB ALA B 1 22.031 9.480 -14.107 1.00 0.00 C ATOM 0 H1 ALA B 1 22.276 6.875 -14.529 1.00 0.00 H new ATOM 0 H2 ALA B 1 21.204 6.295 -13.347 1.00 0.00 H new ATOM 0 H3 ALA B 1 20.619 7.232 -14.637 1.00 0.00 H new ATOM 0 HA ALA B 1 22.444 8.151 -12.486 1.00 0.00 H new ATOM 0 HB1 ALA B 1 22.184 10.378 -13.508 1.00 0.00 H new ATOM 0 HB2 ALA B 1 22.955 9.230 -14.629 1.00 0.00 H new ATOM 0 HB3 ALA B 1 21.240 9.660 -14.835 1.00 0.00 H new ATOM 894 N ARG B 2 19.273 8.978 -13.088 1.00 0.00 N ATOM 895 CA ARG B 2 17.964 9.230 -12.467 1.00 0.00 C ATOM 896 C ARG B 2 17.078 7.982 -12.606 1.00 0.00 C ATOM 897 O ARG B 2 16.489 7.745 -13.668 1.00 0.00 O ATOM 898 CB ARG B 2 17.276 10.481 -13.093 1.00 0.00 C ATOM 899 CG ARG B 2 18.121 11.780 -13.005 1.00 0.00 C ATOM 900 CD ARG B 2 17.336 13.048 -13.395 1.00 0.00 C ATOM 901 NE ARG B 2 16.298 13.371 -12.399 1.00 0.00 N ATOM 902 CZ ARG B 2 15.700 14.560 -12.248 1.00 0.00 C ATOM 903 NH1 ARG B 2 15.948 15.568 -13.079 1.00 0.00 N ATOM 904 NH2 ARG B 2 14.860 14.730 -11.245 1.00 0.00 N ATOM 0 H ARG B 2 19.273 9.083 -14.103 1.00 0.00 H new ATOM 0 HA ARG B 2 18.112 9.440 -11.408 1.00 0.00 H new ATOM 0 HB2 ARG B 2 17.055 10.275 -14.140 1.00 0.00 H new ATOM 0 HB3 ARG B 2 16.322 10.646 -12.592 1.00 0.00 H new ATOM 0 HG2 ARG B 2 18.496 11.892 -11.988 1.00 0.00 H new ATOM 0 HG3 ARG B 2 18.990 11.685 -13.657 1.00 0.00 H new ATOM 0 HD2 ARG B 2 18.024 13.888 -13.490 1.00 0.00 H new ATOM 0 HD3 ARG B 2 16.872 12.904 -14.371 1.00 0.00 H new ATOM 0 HE ARG B 2 16.010 12.622 -11.769 1.00 0.00 H new ATOM 0 HH11 ARG B 2 16.605 15.444 -13.850 1.00 0.00 H new ATOM 0 HH12 ARG B 2 15.482 16.465 -12.946 1.00 0.00 H new ATOM 0 HH21 ARG B 2 14.675 13.962 -10.599 1.00 0.00 H new ATOM 0 HH22 ARG B 2 14.396 15.629 -11.115 1.00 0.00 H new ATOM 918 N THR B 3 17.037 7.161 -11.548 1.00 0.00 N ATOM 919 CA THR B 3 16.230 5.936 -11.505 1.00 0.00 C ATOM 920 C THR B 3 15.017 6.145 -10.576 1.00 0.00 C ATOM 921 O THR B 3 15.086 6.919 -9.615 1.00 0.00 O ATOM 922 CB THR B 3 17.080 4.713 -11.013 1.00 0.00 C ATOM 923 OG1 THR B 3 18.306 4.631 -11.749 1.00 0.00 O ATOM 924 CG2 THR B 3 16.331 3.375 -11.174 1.00 0.00 C ATOM 0 H THR B 3 17.567 7.330 -10.693 1.00 0.00 H new ATOM 0 HA THR B 3 15.882 5.719 -12.515 1.00 0.00 H new ATOM 0 HB THR B 3 17.275 4.878 -9.953 1.00 0.00 H new ATOM 0 HG1 THR B 3 18.843 3.885 -11.408 1.00 0.00 H new ATOM 0 HG21 THR B 3 16.962 2.560 -10.819 1.00 0.00 H new ATOM 0 HG22 THR B 3 15.410 3.401 -10.591 1.00 0.00 H new ATOM 0 HG23 THR B 3 16.091 3.217 -12.225 1.00 0.00 H new ATOM 932 N LYS B 4 13.914 5.445 -10.880 1.00 0.00 N ATOM 933 CA LYS B 4 12.683 5.458 -10.072 1.00 0.00 C ATOM 934 C LYS B 4 12.573 4.183 -9.218 1.00 0.00 C ATOM 935 O LYS B 4 11.470 3.688 -8.946 1.00 0.00 O ATOM 936 CB LYS B 4 11.455 5.638 -11.004 1.00 0.00 C ATOM 937 CG LYS B 4 11.356 4.663 -12.199 1.00 0.00 C ATOM 938 CD LYS B 4 10.101 4.924 -13.072 1.00 0.00 C ATOM 939 CE LYS B 4 10.083 6.337 -13.702 1.00 0.00 C ATOM 940 NZ LYS B 4 8.812 6.619 -14.417 1.00 0.00 N ATOM 0 H LYS B 4 13.850 4.846 -11.703 1.00 0.00 H new ATOM 0 HA LYS B 4 12.714 6.299 -9.379 1.00 0.00 H new ATOM 0 HB2 LYS B 4 10.551 5.536 -10.403 1.00 0.00 H new ATOM 0 HB3 LYS B 4 11.466 6.656 -11.393 1.00 0.00 H new ATOM 0 HG2 LYS B 4 12.250 4.756 -12.816 1.00 0.00 H new ATOM 0 HG3 LYS B 4 11.330 3.639 -11.828 1.00 0.00 H new ATOM 0 HD2 LYS B 4 10.056 4.178 -13.866 1.00 0.00 H new ATOM 0 HD3 LYS B 4 9.208 4.794 -12.461 1.00 0.00 H new ATOM 0 HE2 LYS B 4 10.231 7.083 -12.921 1.00 0.00 H new ATOM 0 HE3 LYS B 4 10.917 6.433 -14.397 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 8.847 7.576 -14.822 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 8.682 5.925 -15.180 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 8.017 6.554 -13.750 1.00 0.00 H new ATOM 954 N GLN B 5 13.737 3.693 -8.755 1.00 0.00 N ATOM 955 CA GLN B 5 13.823 2.506 -7.896 1.00 0.00 C ATOM 956 C GLN B 5 13.229 2.842 -6.515 1.00 0.00 C ATOM 957 O GLN B 5 13.422 3.945 -6.008 1.00 0.00 O ATOM 958 CB GLN B 5 15.294 2.024 -7.779 1.00 0.00 C ATOM 959 CG GLN B 5 15.484 0.683 -7.044 1.00 0.00 C ATOM 960 CD GLN B 5 14.680 -0.465 -7.649 1.00 0.00 C ATOM 961 OE1 GLN B 5 13.544 -0.735 -7.238 1.00 0.00 O ATOM 962 NE2 GLN B 5 15.241 -1.117 -8.655 1.00 0.00 N ATOM 0 H GLN B 5 14.643 4.111 -8.968 1.00 0.00 H new ATOM 0 HA GLN B 5 13.250 1.690 -8.336 1.00 0.00 H new ATOM 0 HB2 GLN B 5 15.712 1.934 -8.782 1.00 0.00 H new ATOM 0 HB3 GLN B 5 15.871 2.790 -7.261 1.00 0.00 H new ATOM 0 HG2 GLN B 5 16.542 0.420 -7.054 1.00 0.00 H new ATOM 0 HG3 GLN B 5 15.196 0.807 -6.000 1.00 0.00 H new ATOM 0 HE21 GLN B 5 16.179 -0.866 -8.966 1.00 0.00 H new ATOM 0 HE22 GLN B 5 14.735 -1.871 -9.120 1.00 0.00 H new ATOM 971 N THR B 6 12.515 1.884 -5.926 1.00 0.00 N ATOM 972 CA THR B 6 11.623 2.129 -4.783 1.00 0.00 C ATOM 973 C THR B 6 12.293 1.906 -3.411 1.00 0.00 C ATOM 974 O THR B 6 13.425 1.417 -3.295 1.00 0.00 O ATOM 975 CB THR B 6 10.350 1.225 -4.914 1.00 0.00 C ATOM 976 OG1 THR B 6 10.723 -0.160 -5.056 1.00 0.00 O ATOM 977 CG2 THR B 6 9.481 1.638 -6.113 1.00 0.00 C ATOM 0 H THR B 6 12.536 0.909 -6.226 1.00 0.00 H new ATOM 0 HA THR B 6 11.352 3.184 -4.817 1.00 0.00 H new ATOM 0 HB THR B 6 9.769 1.357 -4.001 1.00 0.00 H new ATOM 0 HG1 THR B 6 10.251 -0.549 -5.821 1.00 0.00 H new ATOM 0 HG21 THR B 6 8.608 0.988 -6.171 1.00 0.00 H new ATOM 0 HG22 THR B 6 9.157 2.671 -5.989 1.00 0.00 H new ATOM 0 HG23 THR B 6 10.061 1.548 -7.031 1.00 0.00 H new ATOM 985 N ALA B 7 11.553 2.309 -2.382 1.00 0.00 N ATOM 986 CA ALA B 7 11.868 2.070 -0.982 1.00 0.00 C ATOM 987 C ALA B 7 10.561 2.008 -0.189 1.00 0.00 C ATOM 988 O ALA B 7 9.464 2.141 -0.754 1.00 0.00 O ATOM 989 CB ALA B 7 12.809 3.157 -0.442 1.00 0.00 C ATOM 0 H ALA B 7 10.685 2.830 -2.508 1.00 0.00 H new ATOM 0 HA ALA B 7 12.391 1.120 -0.876 1.00 0.00 H new ATOM 0 HB1 ALA B 7 13.031 2.958 0.606 1.00 0.00 H new ATOM 0 HB2 ALA B 7 13.736 3.154 -1.016 1.00 0.00 H new ATOM 0 HB3 ALA B 7 12.329 4.131 -0.533 1.00 0.00 H new ATOM 995 N ARG B 8 10.689 1.797 1.118 1.00 0.00 N ATOM 996 CA ARG B 8 9.551 1.618 2.027 1.00 0.00 C ATOM 997 C ARG B 8 9.492 2.785 3.017 1.00 0.00 C ATOM 998 O ARG B 8 10.509 3.426 3.288 1.00 0.00 O ATOM 999 CB ARG B 8 9.720 0.269 2.769 1.00 0.00 C ATOM 1000 CG ARG B 8 8.566 -0.146 3.703 1.00 0.00 C ATOM 1001 CD ARG B 8 8.936 -1.361 4.569 1.00 0.00 C ATOM 1002 NE ARG B 8 9.526 -2.457 3.780 1.00 0.00 N ATOM 1003 CZ ARG B 8 10.553 -3.228 4.174 1.00 0.00 C ATOM 1004 NH1 ARG B 8 11.142 -3.030 5.349 1.00 0.00 N ATOM 1005 NH2 ARG B 8 10.985 -4.187 3.379 1.00 0.00 N ATOM 0 H ARG B 8 11.594 1.744 1.585 1.00 0.00 H new ATOM 0 HA ARG B 8 8.616 1.604 1.468 1.00 0.00 H new ATOM 0 HB2 ARG B 8 9.857 -0.516 2.025 1.00 0.00 H new ATOM 0 HB3 ARG B 8 10.637 0.314 3.357 1.00 0.00 H new ATOM 0 HG2 ARG B 8 8.302 0.692 4.348 1.00 0.00 H new ATOM 0 HG3 ARG B 8 7.684 -0.380 3.107 1.00 0.00 H new ATOM 0 HD2 ARG B 8 9.642 -1.052 5.340 1.00 0.00 H new ATOM 0 HD3 ARG B 8 8.044 -1.724 5.080 1.00 0.00 H new ATOM 0 HE ARG B 8 9.123 -2.645 2.862 1.00 0.00 H new ATOM 0 HH11 ARG B 8 10.815 -2.285 5.964 1.00 0.00 H new ATOM 0 HH12 ARG B 8 11.921 -3.623 5.635 1.00 0.00 H new ATOM 0 HH21 ARG B 8 10.540 -4.338 2.474 1.00 0.00 H new ATOM 0 HH22 ARG B 8 11.764 -4.778 3.669 1.00 0.00 H new HETATM 1019 N M3L B 9 8.292 3.075 3.524 1.00 0.00 N HETATM 1020 CA M3L B 9 8.096 4.038 4.619 1.00 0.00 C HETATM 1021 CB M3L B 9 7.010 5.076 4.263 1.00 0.00 C HETATM 1022 CG M3L B 9 7.399 6.005 3.108 1.00 0.00 C HETATM 1023 CD M3L B 9 6.372 7.136 2.916 1.00 0.00 C HETATM 1024 CE M3L B 9 6.818 8.159 1.859 1.00 0.00 C HETATM 1025 NZ M3L B 9 5.884 9.381 1.758 1.00 0.00 N HETATM 1026 C M3L B 9 7.711 3.306 5.897 1.00 0.00 C HETATM 1027 O M3L B 9 8.206 3.629 6.990 1.00 0.00 O HETATM 1028 CM1 M3L B 9 4.470 8.932 1.335 1.00 0.00 C HETATM 1029 CM2 M3L B 9 6.447 10.344 0.710 1.00 0.00 C HETATM 1030 CM3 M3L B 9 5.820 10.114 3.114 1.00 0.00 C HETATM 0 HM33 M3L B 9 5.439 9.435 3.877 1.00 0.00 H new HETATM 0 HM32 M3L B 9 6.819 10.450 3.394 1.00 0.00 H new HETATM 0 HM31 M3L B 9 5.157 10.976 3.031 1.00 0.00 H new HETATM 0 HM23 M3L B 9 7.445 10.665 1.009 1.00 0.00 H new HETATM 0 HM22 M3L B 9 6.502 9.840 -0.255 1.00 0.00 H new HETATM 0 HM21 M3L B 9 5.795 11.214 0.628 1.00 0.00 H new HETATM 0 HM13 M3L B 9 4.520 8.438 0.364 1.00 0.00 H new HETATM 0 HM12 M3L B 9 4.072 8.238 2.075 1.00 0.00 H new HETATM 0 HM11 M3L B 9 3.817 9.802 1.266 1.00 0.00 H new HETATM 0 HG3 M3L B 9 8.382 6.435 3.302 1.00 0.00 H new HETATM 0 HG2 M3L B 9 7.480 5.427 2.187 1.00 0.00 H new HETATM 0 HE3 M3L B 9 7.826 8.500 2.096 1.00 0.00 H new HETATM 0 HE2 M3L B 9 6.868 7.668 0.887 1.00 0.00 H new HETATM 0 HD3 M3L B 9 5.414 6.707 2.621 1.00 0.00 H new HETATM 0 HD2 M3L B 9 6.214 7.645 3.867 1.00 0.00 H new HETATM 0 HB3 M3L B 9 6.091 4.552 4.002 1.00 0.00 H new HETATM 0 HB2 M3L B 9 6.793 5.679 5.145 1.00 0.00 H new HETATM 0 HA M3L B 9 9.036 4.567 4.774 1.00 0.00 H new ATOM 1050 N SER B 10 6.825 2.309 5.750 1.00 0.00 N ATOM 1051 CA SER B 10 6.186 1.631 6.882 1.00 0.00 C ATOM 1052 C SER B 10 6.620 0.157 6.981 1.00 0.00 C ATOM 1053 O SER B 10 6.010 -0.728 6.373 1.00 0.00 O ATOM 1054 CB SER B 10 4.656 1.778 6.743 1.00 0.00 C ATOM 1055 OG SER B 10 4.191 1.313 5.482 1.00 0.00 O ATOM 0 H SER B 10 6.533 1.952 4.840 1.00 0.00 H new ATOM 0 HA SER B 10 6.506 2.098 7.814 1.00 0.00 H new ATOM 0 HB2 SER B 10 4.164 1.220 7.540 1.00 0.00 H new ATOM 0 HB3 SER B 10 4.379 2.825 6.869 1.00 0.00 H new ATOM 0 HG SER B 10 4.611 0.452 5.276 1.00 0.00 H new ATOM 1061 N THR B 11 7.726 -0.079 7.702 1.00 0.00 N ATOM 1062 CA THR B 11 8.162 -1.429 8.113 1.00 0.00 C ATOM 1063 C THR B 11 7.269 -1.932 9.261 1.00 0.00 C ATOM 1064 O THR B 11 6.943 -3.124 9.346 1.00 0.00 O ATOM 1065 CB THR B 11 9.671 -1.436 8.541 1.00 0.00 C ATOM 1066 OG1 THR B 11 10.481 -1.008 7.442 1.00 0.00 O ATOM 1067 CG2 THR B 11 10.159 -2.823 9.011 1.00 0.00 C ATOM 0 H THR B 11 8.349 0.663 8.020 1.00 0.00 H new ATOM 0 HA THR B 11 8.062 -2.100 7.260 1.00 0.00 H new ATOM 0 HB THR B 11 9.763 -0.753 9.386 1.00 0.00 H new ATOM 0 HG1 THR B 11 11.065 -0.276 7.732 1.00 0.00 H new ATOM 0 HG21 THR B 11 11.210 -2.762 9.293 1.00 0.00 H new ATOM 0 HG22 THR B 11 9.570 -3.144 9.870 1.00 0.00 H new ATOM 0 HG23 THR B 11 10.042 -3.543 8.202 1.00 0.00 H new ATOM 1075 N GLY B 12 6.866 -0.997 10.133 1.00 0.00 N ATOM 1076 CA GLY B 12 6.010 -1.299 11.273 1.00 0.00 C ATOM 1077 C GLY B 12 6.816 -1.658 12.507 1.00 0.00 C ATOM 1078 O GLY B 12 6.740 -0.968 13.527 1.00 0.00 O ATOM 0 H GLY B 12 7.128 -0.014 10.062 1.00 0.00 H new ATOM 0 HA2 GLY B 12 5.378 -0.438 11.490 1.00 0.00 H new ATOM 0 HA3 GLY B 12 5.346 -2.126 11.020 1.00 0.00 H new ATOM 1082 N GLY B 13 7.607 -2.742 12.394 1.00 0.00 N ATOM 1083 CA GLY B 13 8.418 -3.244 13.500 1.00 0.00 C ATOM 1084 C GLY B 13 7.660 -4.265 14.340 1.00 0.00 C ATOM 1085 O GLY B 13 8.143 -5.385 14.548 1.00 0.00 O ATOM 0 H GLY B 13 7.696 -3.286 11.536 1.00 0.00 H new ATOM 0 HA2 GLY B 13 9.327 -3.700 13.107 1.00 0.00 H new ATOM 0 HA3 GLY B 13 8.727 -2.411 14.132 1.00 0.00 H new ATOM 1089 N LYS B 14 6.466 -3.869 14.813 1.00 0.00 N ATOM 1090 CA LYS B 14 5.561 -4.726 15.599 1.00 0.00 C ATOM 1091 C LYS B 14 4.150 -4.107 15.550 1.00 0.00 C ATOM 1092 O LYS B 14 3.159 -4.794 15.253 1.00 0.00 O ATOM 1093 CB LYS B 14 6.092 -4.882 17.063 1.00 0.00 C ATOM 1094 CG LYS B 14 5.323 -5.882 17.985 1.00 0.00 C ATOM 1095 CD LYS B 14 4.069 -5.272 18.658 1.00 0.00 C ATOM 1096 CE LYS B 14 3.361 -6.263 19.591 1.00 0.00 C ATOM 1097 NZ LYS B 14 2.174 -5.660 20.242 1.00 0.00 N ATOM 0 H LYS B 14 6.097 -2.931 14.658 1.00 0.00 H new ATOM 0 HA LYS B 14 5.518 -5.731 15.178 1.00 0.00 H new ATOM 0 HB2 LYS B 14 7.135 -5.196 17.015 1.00 0.00 H new ATOM 0 HB3 LYS B 14 6.076 -3.901 17.537 1.00 0.00 H new ATOM 0 HG2 LYS B 14 5.023 -6.748 17.395 1.00 0.00 H new ATOM 0 HG3 LYS B 14 6.000 -6.243 18.759 1.00 0.00 H new ATOM 0 HD2 LYS B 14 4.359 -4.388 19.226 1.00 0.00 H new ATOM 0 HD3 LYS B 14 3.372 -4.942 17.888 1.00 0.00 H new ATOM 0 HE2 LYS B 14 3.056 -7.142 19.023 1.00 0.00 H new ATOM 0 HE3 LYS B 14 4.060 -6.604 20.355 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 1.725 -6.362 20.864 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 2.468 -4.837 20.805 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 1.495 -5.357 19.514 1.00 0.00 H new ATOM 1111 N ALA B 15 4.086 -2.800 15.862 1.00 0.00 N ATOM 1112 CA ALA B 15 2.847 -2.011 15.827 1.00 0.00 C ATOM 1113 C ALA B 15 3.182 -0.573 15.351 1.00 0.00 C ATOM 1114 O ALA B 15 3.443 0.314 16.193 1.00 0.00 O ATOM 1115 CB ALA B 15 2.156 -2.041 17.211 1.00 0.00 C ATOM 1116 OXT ALA B 15 3.221 -0.346 14.123 1.00 0.00 O ATOM 0 H ALA B 15 4.902 -2.259 16.148 1.00 0.00 H new ATOM 0 HA ALA B 15 2.138 -2.440 15.119 1.00 0.00 H new ATOM 0 HB1 ALA B 15 1.239 -1.453 17.173 1.00 0.00 H new ATOM 0 HB2 ALA B 15 1.916 -3.071 17.476 1.00 0.00 H new ATOM 0 HB3 ALA B 15 2.826 -1.620 17.961 1.00 0.00 H new TER 1122 ALA B 15