USER MOD reduce.3.24.130724 H: found=0, std=0, add=356, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 355 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 28 MET CE :methyl 168:sc= -6.28! (180deg=-6.88!) USER MOD Set 1.2: A 29 ASN : amide:sc= -1.37 K(o=-7.7,f=-14!) USER MOD Set 2.1: A 13 ASN : amide:sc= -0.0112 X(o=-2.6,f=-2.9) USER MOD Set 2.2: A 14 MET CE :methyl 164:sc= -2.62 (180deg=-2.92!) USER MOD Single : A 1 GLY N :NH3+ -172:sc= 0 (180deg=-0.0605) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 GLN : amide:sc= -0.78 K(o=-0.78,f=-2.7!) USER MOD Single : A 22 SER OG : rot 180:sc=0.000495 USER MOD Single : A 23 HIS : no HD1:sc= -4.37 K(o=-4.4,f=-0.76) USER MOD Single : A 25 SER OG : rot 99:sc= 0.152 USER MOD Single : A 26 LYS NZ :NH3+ -151:sc= -0.443 (180deg=-1.33) USER MOD Single : A 27 THR OG1 : rot -140:sc= -0.0684 USER MOD Single : A 33 SER OG : rot 180:sc= 0.0408 USER MOD Single : A 34 THR OG1 : rot -174:sc= -2.52! USER MOD Single : A 36 TYR OH : rot 30:sc= 0.452 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.0205 X(o=-0.02,f=0) USER MOD Single : A 42 SER OG : rot -130:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.125 K(o=-0.12,f=0.68) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -30.997 52.229 22.893 1.00 0.00 N ATOM 2 CA GLY A 1 -31.519 52.054 21.508 1.00 0.00 C ATOM 3 C GLY A 1 -31.871 53.420 20.918 1.00 0.00 C ATOM 4 O GLY A 1 -31.589 53.701 19.768 1.00 0.00 O ATOM 0 H1 GLY A 1 -30.632 51.321 23.244 1.00 0.00 H new ATOM 0 H2 GLY A 1 -30.230 52.932 22.889 1.00 0.00 H new ATOM 0 H3 GLY A 1 -31.764 52.557 23.514 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -30.772 51.559 20.887 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -32.400 51.413 21.519 1.00 0.00 H new ATOM 10 N ARG A 2 -32.489 54.272 21.698 1.00 0.00 N ATOM 11 CA ARG A 2 -32.870 55.624 21.198 1.00 0.00 C ATOM 12 C ARG A 2 -31.620 56.387 20.737 1.00 0.00 C ATOM 13 O ARG A 2 -31.691 57.248 19.881 1.00 0.00 O ATOM 14 CB ARG A 2 -33.564 56.390 22.328 1.00 0.00 C ATOM 15 CG ARG A 2 -32.621 56.522 23.529 1.00 0.00 C ATOM 16 CD ARG A 2 -33.180 57.559 24.506 1.00 0.00 C ATOM 17 NE ARG A 2 -32.050 58.297 25.149 1.00 0.00 N ATOM 18 CZ ARG A 2 -32.250 59.422 25.808 1.00 0.00 C ATOM 19 NH1 ARG A 2 -33.448 59.946 25.928 1.00 0.00 N ATOM 20 NH2 ARG A 2 -31.232 60.030 26.353 1.00 0.00 N ATOM 0 H ARG A 2 -32.747 54.085 22.667 1.00 0.00 H new ATOM 0 HA ARG A 2 -33.547 55.525 20.349 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -33.862 57.379 21.979 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -34.474 55.870 22.626 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -32.513 55.559 24.027 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -31.628 56.821 23.194 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -33.831 58.257 23.979 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -33.787 57.068 25.266 1.00 0.00 H new ATOM 0 HE ARG A 2 -31.104 57.923 25.077 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -34.252 59.482 25.506 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -33.574 60.817 26.443 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -30.296 59.635 26.267 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -31.373 60.901 26.865 1.00 0.00 H new ATOM 34 N LYS A 3 -30.480 56.076 21.303 1.00 0.00 N ATOM 35 CA LYS A 3 -29.222 56.776 20.911 1.00 0.00 C ATOM 36 C LYS A 3 -28.956 56.578 19.413 1.00 0.00 C ATOM 37 O LYS A 3 -28.744 55.472 18.953 1.00 0.00 O ATOM 38 CB LYS A 3 -28.062 56.202 21.731 1.00 0.00 C ATOM 39 CG LYS A 3 -27.917 54.698 21.461 1.00 0.00 C ATOM 40 CD LYS A 3 -26.735 54.453 20.519 1.00 0.00 C ATOM 41 CE LYS A 3 -27.033 53.246 19.628 1.00 0.00 C ATOM 42 NZ LYS A 3 -26.477 52.015 20.258 1.00 0.00 N ATOM 0 H LYS A 3 -30.368 55.363 22.024 1.00 0.00 H new ATOM 0 HA LYS A 3 -29.318 57.844 21.107 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -27.136 56.716 21.474 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -28.238 56.373 22.793 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -27.764 54.164 22.399 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -28.834 54.308 21.018 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -26.557 55.336 19.905 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -25.827 54.277 21.096 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -28.109 53.141 19.487 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -26.595 53.392 18.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -26.679 51.194 19.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -25.448 52.117 20.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -26.915 51.874 21.191 1.00 0.00 H new ATOM 56 N ARG A 4 -28.969 57.645 18.655 1.00 0.00 N ATOM 57 CA ARG A 4 -28.720 57.532 17.188 1.00 0.00 C ATOM 58 C ARG A 4 -27.537 58.423 16.803 1.00 0.00 C ATOM 59 O ARG A 4 -26.537 57.953 16.293 1.00 0.00 O ATOM 60 CB ARG A 4 -29.967 57.982 16.425 1.00 0.00 C ATOM 61 CG ARG A 4 -30.847 56.767 16.118 1.00 0.00 C ATOM 62 CD ARG A 4 -32.325 57.168 16.173 1.00 0.00 C ATOM 63 NE ARG A 4 -33.066 56.543 15.023 1.00 0.00 N ATOM 64 CZ ARG A 4 -32.680 56.689 13.772 1.00 0.00 C ATOM 65 NH1 ARG A 4 -31.742 57.545 13.440 1.00 0.00 N ATOM 66 NH2 ARG A 4 -33.284 56.011 12.835 1.00 0.00 N ATOM 0 H ARG A 4 -29.142 58.592 18.991 1.00 0.00 H new ATOM 0 HA ARG A 4 -28.493 56.496 16.935 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -30.525 58.708 17.016 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -29.679 58.479 15.498 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -30.605 56.371 15.132 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -30.649 55.972 16.838 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -32.763 56.847 17.118 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -32.419 58.253 16.131 1.00 0.00 H new ATOM 0 HE ARG A 4 -33.898 55.986 15.219 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -31.295 58.115 14.158 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -31.460 57.640 12.464 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -34.046 55.377 13.075 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -32.994 56.115 11.863 1.00 0.00 H new ATOM 80 N LYS A 5 -27.646 59.704 17.044 1.00 0.00 N ATOM 81 CA LYS A 5 -26.534 60.636 16.696 1.00 0.00 C ATOM 82 C LYS A 5 -25.552 60.718 17.867 1.00 0.00 C ATOM 83 O LYS A 5 -25.656 59.977 18.827 1.00 0.00 O ATOM 84 CB LYS A 5 -27.107 62.026 16.409 1.00 0.00 C ATOM 85 CG LYS A 5 -28.016 61.960 15.180 1.00 0.00 C ATOM 86 CD LYS A 5 -28.122 63.349 14.548 1.00 0.00 C ATOM 87 CE LYS A 5 -28.879 64.283 15.493 1.00 0.00 C ATOM 88 NZ LYS A 5 -29.119 65.588 14.815 1.00 0.00 N ATOM 0 H LYS A 5 -28.461 60.146 17.469 1.00 0.00 H new ATOM 0 HA LYS A 5 -26.013 60.269 15.812 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -27.669 62.384 17.271 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -26.298 62.736 16.238 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -27.616 61.249 14.457 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -29.005 61.602 15.465 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -27.127 63.746 14.347 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -28.639 63.286 13.590 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -29.828 63.832 15.784 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -28.305 64.436 16.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -29.634 66.223 15.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -28.208 66.019 14.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -29.683 65.434 13.955 1.00 0.00 H new ATOM 102 N ILE A 6 -24.601 61.614 17.793 1.00 0.00 N ATOM 103 CA ILE A 6 -23.606 61.753 18.897 1.00 0.00 C ATOM 104 C ILE A 6 -24.311 62.268 20.155 1.00 0.00 C ATOM 105 O ILE A 6 -24.907 63.329 20.152 1.00 0.00 O ATOM 106 CB ILE A 6 -22.513 62.744 18.479 1.00 0.00 C ATOM 107 CG1 ILE A 6 -21.885 62.297 17.147 1.00 0.00 C ATOM 108 CG2 ILE A 6 -21.431 62.809 19.562 1.00 0.00 C ATOM 109 CD1 ILE A 6 -21.261 60.901 17.287 1.00 0.00 C ATOM 0 H ILE A 6 -24.471 62.257 17.012 1.00 0.00 H new ATOM 0 HA ILE A 6 -23.154 60.783 19.105 1.00 0.00 H new ATOM 0 HB ILE A 6 -22.956 63.732 18.353 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -22.645 62.285 16.366 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -21.123 63.013 16.839 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -20.657 63.514 19.261 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -21.876 63.138 20.501 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -20.990 61.821 19.696 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -20.822 60.602 16.335 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -20.486 60.924 18.053 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -22.032 60.185 17.572 1.00 0.00 H new ATOM 121 N ASP A 7 -24.243 61.523 21.229 1.00 0.00 N ATOM 122 CA ASP A 7 -24.903 61.960 22.494 1.00 0.00 C ATOM 123 C ASP A 7 -24.228 63.239 22.996 1.00 0.00 C ATOM 124 O ASP A 7 -23.427 63.840 22.304 1.00 0.00 O ATOM 125 CB ASP A 7 -24.766 60.853 23.548 1.00 0.00 C ATOM 126 CG ASP A 7 -26.074 60.714 24.338 1.00 0.00 C ATOM 127 OD1 ASP A 7 -26.822 61.677 24.396 1.00 0.00 O ATOM 128 OD2 ASP A 7 -26.305 59.642 24.872 1.00 0.00 O ATOM 0 H ASP A 7 -23.757 60.628 21.283 1.00 0.00 H new ATOM 0 HA ASP A 7 -25.960 62.154 22.312 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -24.522 59.907 23.064 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -23.945 61.085 24.226 1.00 0.00 H new ATOM 133 N ARG A 8 -24.547 63.659 24.194 1.00 0.00 N ATOM 134 CA ARG A 8 -23.937 64.892 24.749 1.00 0.00 C ATOM 135 C ARG A 8 -22.740 64.531 25.636 1.00 0.00 C ATOM 136 O ARG A 8 -22.398 65.254 26.554 1.00 0.00 O ATOM 137 CB ARG A 8 -24.980 65.649 25.575 1.00 0.00 C ATOM 138 CG ARG A 8 -26.099 66.140 24.653 1.00 0.00 C ATOM 139 CD ARG A 8 -27.434 66.099 25.399 1.00 0.00 C ATOM 140 NE ARG A 8 -27.916 64.685 25.482 1.00 0.00 N ATOM 141 CZ ARG A 8 -28.891 64.337 26.299 1.00 0.00 C ATOM 142 NH1 ARG A 8 -29.488 65.217 27.070 1.00 0.00 N ATOM 143 NH2 ARG A 8 -29.273 63.090 26.342 1.00 0.00 N ATOM 0 H ARG A 8 -25.210 63.192 24.812 1.00 0.00 H new ATOM 0 HA ARG A 8 -23.593 65.523 23.929 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -25.390 64.999 26.348 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -24.515 66.494 26.083 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -25.889 67.156 24.319 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -26.150 65.515 23.761 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -27.316 66.514 26.400 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -28.170 66.716 24.883 1.00 0.00 H new ATOM 0 HE ARG A 8 -27.481 63.974 24.894 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -29.200 66.195 27.045 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -30.240 64.922 27.693 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -28.819 62.397 25.748 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -30.026 62.809 26.970 1.00 0.00 H new ATOM 157 N ASP A 9 -22.101 63.419 25.368 1.00 0.00 N ATOM 158 CA ASP A 9 -20.925 63.005 26.189 1.00 0.00 C ATOM 159 C ASP A 9 -19.740 63.935 25.908 1.00 0.00 C ATOM 160 O ASP A 9 -18.851 64.076 26.726 1.00 0.00 O ATOM 161 CB ASP A 9 -20.538 61.567 25.834 1.00 0.00 C ATOM 162 CG ASP A 9 -19.438 61.085 26.781 1.00 0.00 C ATOM 163 OD1 ASP A 9 -19.772 60.611 27.854 1.00 0.00 O ATOM 164 OD2 ASP A 9 -18.279 61.199 26.417 1.00 0.00 O ATOM 0 H ASP A 9 -22.346 62.779 24.613 1.00 0.00 H new ATOM 0 HA ASP A 9 -21.186 63.065 27.246 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -21.409 60.916 25.910 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -20.191 61.517 24.802 1.00 0.00 H new ATOM 169 N ALA A 10 -19.717 64.566 24.759 1.00 0.00 N ATOM 170 CA ALA A 10 -18.588 65.483 24.425 1.00 0.00 C ATOM 171 C ALA A 10 -18.572 66.662 25.402 1.00 0.00 C ATOM 172 O ALA A 10 -17.572 66.937 26.039 1.00 0.00 O ATOM 173 CB ALA A 10 -18.764 66.007 22.998 1.00 0.00 C ATOM 0 H ALA A 10 -20.434 64.484 24.038 1.00 0.00 H new ATOM 0 HA ALA A 10 -17.647 64.939 24.502 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -17.940 66.677 22.752 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -18.770 65.169 22.301 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -19.707 66.549 22.923 1.00 0.00 H new ATOM 179 N VAL A 11 -19.676 67.359 25.526 1.00 0.00 N ATOM 180 CA VAL A 11 -19.741 68.527 26.459 1.00 0.00 C ATOM 181 C VAL A 11 -19.403 68.069 27.880 1.00 0.00 C ATOM 182 O VAL A 11 -18.718 68.754 28.617 1.00 0.00 O ATOM 183 CB VAL A 11 -21.159 69.110 26.435 1.00 0.00 C ATOM 184 CG1 VAL A 11 -21.239 70.339 27.348 1.00 0.00 C ATOM 185 CG2 VAL A 11 -21.513 69.519 25.004 1.00 0.00 C ATOM 0 H VAL A 11 -20.539 67.167 25.018 1.00 0.00 H new ATOM 0 HA VAL A 11 -19.024 69.286 26.145 1.00 0.00 H new ATOM 0 HB VAL A 11 -21.861 68.356 26.790 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -22.250 70.745 27.324 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -20.988 70.051 28.369 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -20.535 71.096 27.002 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -22.521 69.934 24.983 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -20.804 70.269 24.654 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -21.467 68.645 24.354 1.00 0.00 H new ATOM 195 N LEU A 12 -19.882 66.915 28.264 1.00 0.00 N ATOM 196 CA LEU A 12 -19.602 66.398 29.635 1.00 0.00 C ATOM 197 C LEU A 12 -18.091 66.249 29.834 1.00 0.00 C ATOM 198 O LEU A 12 -17.571 66.513 30.898 1.00 0.00 O ATOM 199 CB LEU A 12 -20.276 65.035 29.812 1.00 0.00 C ATOM 200 CG LEU A 12 -21.794 65.202 29.722 1.00 0.00 C ATOM 201 CD1 LEU A 12 -22.463 63.826 29.725 1.00 0.00 C ATOM 202 CD2 LEU A 12 -22.290 66.009 30.925 1.00 0.00 C ATOM 0 H LEU A 12 -20.458 66.306 27.683 1.00 0.00 H new ATOM 0 HA LEU A 12 -19.994 67.099 30.372 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -19.929 64.343 29.044 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -20.003 64.605 30.776 1.00 0.00 H new ATOM 0 HG LEU A 12 -22.046 65.726 28.800 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -23.544 63.947 29.661 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -22.111 63.249 28.870 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -22.211 63.301 30.646 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -23.372 66.129 30.862 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -22.036 65.483 31.845 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -21.816 66.990 30.925 1.00 0.00 H new ATOM 214 N ASN A 13 -17.389 65.830 28.814 1.00 0.00 N ATOM 215 CA ASN A 13 -15.910 65.657 28.933 1.00 0.00 C ATOM 216 C ASN A 13 -15.240 67.017 29.146 1.00 0.00 C ATOM 217 O ASN A 13 -14.185 67.109 29.745 1.00 0.00 O ATOM 218 CB ASN A 13 -15.369 65.020 27.652 1.00 0.00 C ATOM 219 CG ASN A 13 -13.897 64.651 27.848 1.00 0.00 C ATOM 220 OD1 ASN A 13 -13.030 65.192 27.192 1.00 0.00 O ATOM 221 ND2 ASN A 13 -13.577 63.745 28.731 1.00 0.00 N ATOM 0 H ASN A 13 -17.778 65.599 27.900 1.00 0.00 H new ATOM 0 HA ASN A 13 -15.692 65.013 29.785 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -15.948 64.131 27.403 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -15.473 65.712 26.817 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -12.599 63.491 28.870 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -14.305 63.290 29.282 1.00 0.00 H new ATOM 228 N MET A 14 -15.839 68.072 28.654 1.00 0.00 N ATOM 229 CA MET A 14 -15.253 69.420 28.809 1.00 0.00 C ATOM 230 C MET A 14 -15.205 69.797 30.295 1.00 0.00 C ATOM 231 O MET A 14 -14.172 70.169 30.814 1.00 0.00 O ATOM 232 CB MET A 14 -16.130 70.402 28.033 1.00 0.00 C ATOM 233 CG MET A 14 -16.320 69.906 26.592 1.00 0.00 C ATOM 234 SD MET A 14 -14.712 69.801 25.749 1.00 0.00 S ATOM 235 CE MET A 14 -14.839 68.072 25.230 1.00 0.00 C ATOM 0 H MET A 14 -16.723 68.046 28.145 1.00 0.00 H new ATOM 0 HA MET A 14 -14.234 69.446 28.423 1.00 0.00 H new ATOM 0 HB2 MET A 14 -17.099 70.504 28.523 1.00 0.00 H new ATOM 0 HB3 MET A 14 -15.669 71.390 28.029 1.00 0.00 H new ATOM 0 HG2 MET A 14 -16.801 68.928 26.596 1.00 0.00 H new ATOM 0 HG3 MET A 14 -16.980 70.584 26.050 1.00 0.00 H new ATOM 0 HE1 MET A 14 -14.097 67.868 24.458 1.00 0.00 H new ATOM 0 HE2 MET A 14 -14.660 67.421 26.086 1.00 0.00 H new ATOM 0 HE3 MET A 14 -15.837 67.884 24.833 1.00 0.00 H new ATOM 245 N TRP A 15 -16.315 69.704 30.982 1.00 0.00 N ATOM 246 CA TRP A 15 -16.338 70.060 32.436 1.00 0.00 C ATOM 247 C TRP A 15 -15.445 69.111 33.231 1.00 0.00 C ATOM 248 O TRP A 15 -14.882 69.476 34.245 1.00 0.00 O ATOM 249 CB TRP A 15 -17.761 69.918 32.957 1.00 0.00 C ATOM 250 CG TRP A 15 -18.644 70.850 32.223 1.00 0.00 C ATOM 251 CD1 TRP A 15 -19.286 70.560 31.083 1.00 0.00 C ATOM 252 CD2 TRP A 15 -18.990 72.210 32.559 1.00 0.00 C ATOM 253 NE1 TRP A 15 -20.010 71.668 30.692 1.00 0.00 N ATOM 254 CE2 TRP A 15 -19.845 72.718 31.571 1.00 0.00 C ATOM 255 CE3 TRP A 15 -18.641 73.042 33.617 1.00 0.00 C ATOM 256 CZ2 TRP A 15 -20.326 74.021 31.639 1.00 0.00 C ATOM 257 CZ3 TRP A 15 -19.130 74.342 33.692 1.00 0.00 C ATOM 258 CH2 TRP A 15 -19.968 74.832 32.700 1.00 0.00 C ATOM 0 H TRP A 15 -17.209 69.396 30.599 1.00 0.00 H new ATOM 0 HA TRP A 15 -15.979 71.083 32.552 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -18.107 68.893 32.828 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -17.793 70.133 34.025 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -19.244 69.617 30.558 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -20.594 71.706 29.857 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -17.982 72.674 34.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -20.978 74.399 30.865 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -18.857 74.972 34.525 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -20.340 75.844 32.757 1.00 0.00 H new ATOM 269 N GLN A 16 -15.344 67.890 32.792 1.00 0.00 N ATOM 270 CA GLN A 16 -14.526 66.885 33.520 1.00 0.00 C ATOM 271 C GLN A 16 -13.034 67.241 33.444 1.00 0.00 C ATOM 272 O GLN A 16 -12.240 66.762 34.233 1.00 0.00 O ATOM 273 CB GLN A 16 -14.777 65.519 32.885 1.00 0.00 C ATOM 274 CG GLN A 16 -16.280 65.211 32.923 1.00 0.00 C ATOM 275 CD GLN A 16 -16.599 64.372 34.161 1.00 0.00 C ATOM 276 OE1 GLN A 16 -16.983 64.900 35.186 1.00 0.00 O ATOM 277 NE2 GLN A 16 -16.456 63.075 34.111 1.00 0.00 N ATOM 0 H GLN A 16 -15.800 67.541 31.949 1.00 0.00 H new ATOM 0 HA GLN A 16 -14.809 66.870 34.573 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -14.419 65.512 31.856 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -14.222 64.749 33.421 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -16.852 66.139 32.943 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -16.575 64.674 32.021 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -16.134 62.630 33.251 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -16.667 62.507 34.931 1.00 0.00 H new ATOM 286 N GLN A 17 -12.645 68.070 32.506 1.00 0.00 N ATOM 287 CA GLN A 17 -11.206 68.449 32.384 1.00 0.00 C ATOM 288 C GLN A 17 -10.931 69.777 33.110 1.00 0.00 C ATOM 289 O GLN A 17 -9.895 70.385 32.916 1.00 0.00 O ATOM 290 CB GLN A 17 -10.860 68.604 30.903 1.00 0.00 C ATOM 291 CG GLN A 17 -11.089 67.274 30.184 1.00 0.00 C ATOM 292 CD GLN A 17 -9.991 66.284 30.577 1.00 0.00 C ATOM 293 OE1 GLN A 17 -9.954 65.813 31.696 1.00 0.00 O ATOM 294 NE2 GLN A 17 -9.088 65.947 29.697 1.00 0.00 N ATOM 0 H GLN A 17 -13.264 68.500 31.819 1.00 0.00 H new ATOM 0 HA GLN A 17 -10.594 67.670 32.839 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -11.476 69.383 30.454 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.821 68.916 30.792 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -12.067 66.871 30.446 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -11.086 67.427 29.105 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.119 66.342 28.757 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -8.351 65.288 29.949 1.00 0.00 H new ATOM 303 N GLY A 18 -11.842 70.236 33.940 1.00 0.00 N ATOM 304 CA GLY A 18 -11.617 71.523 34.667 1.00 0.00 C ATOM 305 C GLY A 18 -11.843 72.690 33.706 1.00 0.00 C ATOM 306 O GLY A 18 -10.937 73.445 33.407 1.00 0.00 O ATOM 0 H GLY A 18 -12.728 69.774 34.143 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -12.297 71.599 35.516 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -10.603 71.556 35.066 1.00 0.00 H new ATOM 310 N LEU A 19 -13.044 72.829 33.211 1.00 0.00 N ATOM 311 CA LEU A 19 -13.345 73.933 32.251 1.00 0.00 C ATOM 312 C LEU A 19 -14.410 74.866 32.832 1.00 0.00 C ATOM 313 O LEU A 19 -15.216 74.476 33.654 1.00 0.00 O ATOM 314 CB LEU A 19 -13.850 73.324 30.932 1.00 0.00 C ATOM 315 CG LEU A 19 -12.730 73.133 29.874 1.00 0.00 C ATOM 316 CD1 LEU A 19 -11.332 72.994 30.500 1.00 0.00 C ATOM 317 CD2 LEU A 19 -13.024 71.876 29.047 1.00 0.00 C ATOM 0 H LEU A 19 -13.834 72.223 33.431 1.00 0.00 H new ATOM 0 HA LEU A 19 -12.439 74.512 32.070 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -14.313 72.359 31.139 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -14.626 73.967 30.517 1.00 0.00 H new ATOM 0 HG LEU A 19 -12.725 74.027 29.250 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -10.591 72.863 29.711 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -11.098 73.892 31.072 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -11.314 72.128 31.162 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -12.240 71.738 28.303 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -13.057 71.007 29.705 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -13.985 71.987 28.545 1.00 0.00 H new ATOM 329 N GLY A 20 -14.405 76.103 32.400 1.00 0.00 N ATOM 330 CA GLY A 20 -15.409 77.088 32.914 1.00 0.00 C ATOM 331 C GLY A 20 -15.896 78.017 31.787 1.00 0.00 C ATOM 332 O GLY A 20 -15.116 78.701 31.163 1.00 0.00 O ATOM 0 H GLY A 20 -13.749 76.474 31.713 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -16.258 76.557 33.345 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -14.965 77.681 33.713 1.00 0.00 H new ATOM 336 N ALA A 21 -17.197 78.023 31.547 1.00 0.00 N ATOM 337 CA ALA A 21 -17.857 78.877 30.491 1.00 0.00 C ATOM 338 C ALA A 21 -16.953 79.192 29.279 1.00 0.00 C ATOM 339 O ALA A 21 -17.024 78.535 28.258 1.00 0.00 O ATOM 340 CB ALA A 21 -18.331 80.184 31.136 1.00 0.00 C ATOM 0 H ALA A 21 -17.856 77.443 32.066 1.00 0.00 H new ATOM 0 HA ALA A 21 -18.694 78.300 30.097 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -18.810 80.809 30.382 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -19.045 79.961 31.929 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -17.476 80.713 31.557 1.00 0.00 H new ATOM 346 N SER A 22 -16.138 80.212 29.377 1.00 0.00 N ATOM 347 CA SER A 22 -15.264 80.608 28.229 1.00 0.00 C ATOM 348 C SER A 22 -14.253 79.507 27.901 1.00 0.00 C ATOM 349 O SER A 22 -14.148 79.071 26.771 1.00 0.00 O ATOM 350 CB SER A 22 -14.512 81.890 28.589 1.00 0.00 C ATOM 351 OG SER A 22 -15.418 82.817 29.173 1.00 0.00 O ATOM 0 H SER A 22 -16.040 80.793 30.210 1.00 0.00 H new ATOM 0 HA SER A 22 -15.894 80.770 27.355 1.00 0.00 H new ATOM 0 HB2 SER A 22 -13.703 81.668 29.284 1.00 0.00 H new ATOM 0 HB3 SER A 22 -14.057 82.321 27.697 1.00 0.00 H new ATOM 0 HG SER A 22 -14.939 83.639 29.407 1.00 0.00 H new ATOM 357 N HIS A 23 -13.494 79.076 28.871 1.00 0.00 N ATOM 358 CA HIS A 23 -12.469 78.022 28.620 1.00 0.00 C ATOM 359 C HIS A 23 -13.137 76.737 28.107 1.00 0.00 C ATOM 360 O HIS A 23 -12.569 76.012 27.306 1.00 0.00 O ATOM 361 CB HIS A 23 -11.713 77.743 29.920 1.00 0.00 C ATOM 362 CG HIS A 23 -10.534 76.865 29.628 1.00 0.00 C ATOM 363 ND1 HIS A 23 -9.228 77.269 29.854 1.00 0.00 N ATOM 364 CD2 HIS A 23 -10.454 75.598 29.123 1.00 0.00 C ATOM 365 CE1 HIS A 23 -8.423 76.256 29.485 1.00 0.00 C ATOM 366 NE2 HIS A 23 -9.120 75.211 29.031 1.00 0.00 N ATOM 0 H HIS A 23 -13.540 79.411 29.833 1.00 0.00 H new ATOM 0 HA HIS A 23 -11.771 78.369 27.859 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -11.382 78.679 30.370 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -12.372 77.259 30.641 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -11.299 74.988 28.838 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -7.345 76.284 29.548 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -8.754 74.322 28.691 1.00 0.00 H new ATOM 374 N ILE A 24 -14.342 76.451 28.547 1.00 0.00 N ATOM 375 CA ILE A 24 -15.038 75.193 28.052 1.00 0.00 C ATOM 376 C ILE A 24 -15.270 75.362 26.549 1.00 0.00 C ATOM 377 O ILE A 24 -15.243 74.413 25.798 1.00 0.00 O ATOM 378 CB ILE A 24 -16.418 74.915 28.728 1.00 0.00 C ATOM 379 CG1 ILE A 24 -16.581 75.741 29.997 1.00 0.00 C ATOM 380 CG2 ILE A 24 -16.512 73.416 29.103 1.00 0.00 C ATOM 381 CD1 ILE A 24 -17.923 75.444 30.664 1.00 0.00 C ATOM 0 H ILE A 24 -14.872 77.013 29.212 1.00 0.00 H new ATOM 0 HA ILE A 24 -14.396 74.348 28.301 1.00 0.00 H new ATOM 0 HB ILE A 24 -17.203 75.187 28.023 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -15.768 75.519 30.689 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -16.515 76.802 29.757 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -17.474 73.219 29.575 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -16.418 72.809 28.202 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -15.709 73.163 29.796 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -18.020 76.044 31.569 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -18.733 75.689 29.977 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -17.975 74.386 30.923 1.00 0.00 H new ATOM 393 N SER A 25 -15.496 76.577 26.114 1.00 0.00 N ATOM 394 CA SER A 25 -15.725 76.834 24.664 1.00 0.00 C ATOM 395 C SER A 25 -14.418 76.623 23.895 1.00 0.00 C ATOM 396 O SER A 25 -14.426 76.279 22.729 1.00 0.00 O ATOM 397 CB SER A 25 -16.201 78.274 24.471 1.00 0.00 C ATOM 398 OG SER A 25 -16.235 78.576 23.083 1.00 0.00 O ATOM 0 H SER A 25 -15.531 77.406 26.708 1.00 0.00 H new ATOM 0 HA SER A 25 -16.483 76.146 24.289 1.00 0.00 H new ATOM 0 HB2 SER A 25 -17.192 78.403 24.907 1.00 0.00 H new ATOM 0 HB3 SER A 25 -15.533 78.962 24.988 1.00 0.00 H new ATOM 0 HG SER A 25 -17.152 78.484 22.751 1.00 0.00 H new ATOM 404 N LYS A 26 -13.291 76.821 24.540 1.00 0.00 N ATOM 405 CA LYS A 26 -11.983 76.626 23.847 1.00 0.00 C ATOM 406 C LYS A 26 -11.863 75.165 23.410 1.00 0.00 C ATOM 407 O LYS A 26 -11.525 74.872 22.279 1.00 0.00 O ATOM 408 CB LYS A 26 -10.837 76.981 24.798 1.00 0.00 C ATOM 409 CG LYS A 26 -10.292 78.379 24.463 1.00 0.00 C ATOM 410 CD LYS A 26 -10.144 79.205 25.747 1.00 0.00 C ATOM 411 CE LYS A 26 -11.314 80.185 25.869 1.00 0.00 C ATOM 412 NZ LYS A 26 -11.285 80.836 27.211 1.00 0.00 N ATOM 0 H LYS A 26 -13.224 77.109 25.516 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.929 77.274 22.972 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -11.188 76.956 25.830 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.041 76.241 24.714 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.327 78.292 23.963 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -10.965 78.885 23.771 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.118 78.545 26.614 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.200 79.750 25.733 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -11.252 80.941 25.086 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -12.258 79.659 25.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.253 81.089 27.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.880 80.178 27.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.701 81.696 27.167 1.00 0.00 H new ATOM 426 N THR A 27 -12.153 74.249 24.299 1.00 0.00 N ATOM 427 CA THR A 27 -12.075 72.802 23.938 1.00 0.00 C ATOM 428 C THR A 27 -13.270 72.450 23.047 1.00 0.00 C ATOM 429 O THR A 27 -13.119 72.110 21.889 1.00 0.00 O ATOM 430 CB THR A 27 -12.118 71.957 25.213 1.00 0.00 C ATOM 431 OG1 THR A 27 -11.229 72.508 26.174 1.00 0.00 O ATOM 432 CG2 THR A 27 -11.699 70.524 24.891 1.00 0.00 C ATOM 0 H THR A 27 -12.440 74.441 25.259 1.00 0.00 H new ATOM 0 HA THR A 27 -11.146 72.600 23.405 1.00 0.00 H new ATOM 0 HB THR A 27 -13.131 71.955 25.614 1.00 0.00 H new ATOM 0 HG1 THR A 27 -10.764 71.784 26.642 1.00 0.00 H new ATOM 0 HG21 THR A 27 -11.730 69.923 25.800 1.00 0.00 H new ATOM 0 HG22 THR A 27 -12.382 70.102 24.154 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.686 70.523 24.490 1.00 0.00 H new ATOM 440 N MET A 28 -14.457 72.553 23.583 1.00 0.00 N ATOM 441 CA MET A 28 -15.676 72.262 22.817 1.00 0.00 C ATOM 442 C MET A 28 -16.248 73.604 22.347 1.00 0.00 C ATOM 443 O MET A 28 -16.895 74.309 23.090 1.00 0.00 O ATOM 444 CB MET A 28 -16.666 71.531 23.741 1.00 0.00 C ATOM 445 CG MET A 28 -16.764 70.056 23.326 1.00 0.00 C ATOM 446 SD MET A 28 -18.193 69.806 22.236 1.00 0.00 S ATOM 447 CE MET A 28 -17.856 71.167 21.095 1.00 0.00 C ATOM 0 H MET A 28 -14.623 72.836 24.549 1.00 0.00 H new ATOM 0 HA MET A 28 -15.478 71.628 21.953 1.00 0.00 H new ATOM 0 HB2 MET A 28 -16.336 71.607 24.777 1.00 0.00 H new ATOM 0 HB3 MET A 28 -17.648 72.001 23.684 1.00 0.00 H new ATOM 0 HG2 MET A 28 -15.850 69.753 22.815 1.00 0.00 H new ATOM 0 HG3 MET A 28 -16.858 69.427 24.211 1.00 0.00 H new ATOM 0 HE1 MET A 28 -18.494 71.072 20.217 1.00 0.00 H new ATOM 0 HE2 MET A 28 -18.060 72.116 21.591 1.00 0.00 H new ATOM 0 HE3 MET A 28 -16.810 71.135 20.789 1.00 0.00 H new ATOM 457 N ASN A 29 -15.967 73.971 21.126 1.00 0.00 N ATOM 458 CA ASN A 29 -16.435 75.281 20.578 1.00 0.00 C ATOM 459 C ASN A 29 -17.950 75.484 20.761 1.00 0.00 C ATOM 460 O ASN A 29 -18.738 75.166 19.891 1.00 0.00 O ATOM 461 CB ASN A 29 -16.083 75.343 19.089 1.00 0.00 C ATOM 462 CG ASN A 29 -16.742 74.178 18.343 1.00 0.00 C ATOM 463 OD1 ASN A 29 -16.813 73.076 18.850 1.00 0.00 O ATOM 464 ND2 ASN A 29 -17.232 74.378 17.150 1.00 0.00 N ATOM 0 H ASN A 29 -15.423 73.409 20.472 1.00 0.00 H new ATOM 0 HA ASN A 29 -15.936 76.078 21.129 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -16.418 76.291 18.667 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -15.001 75.302 18.961 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -17.674 73.610 16.645 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -17.173 75.302 16.723 1.00 0.00 H new ATOM 471 N ILE A 30 -18.358 76.052 21.874 1.00 0.00 N ATOM 472 CA ILE A 30 -19.820 76.323 22.096 1.00 0.00 C ATOM 473 C ILE A 30 -19.972 77.550 23.022 1.00 0.00 C ATOM 474 O ILE A 30 -19.043 77.936 23.704 1.00 0.00 O ATOM 475 CB ILE A 30 -20.560 75.074 22.674 1.00 0.00 C ATOM 476 CG1 ILE A 30 -20.487 75.009 24.214 1.00 0.00 C ATOM 477 CG2 ILE A 30 -19.978 73.781 22.092 1.00 0.00 C ATOM 478 CD1 ILE A 30 -19.036 74.892 24.685 1.00 0.00 C ATOM 0 H ILE A 30 -17.745 76.339 22.637 1.00 0.00 H new ATOM 0 HA ILE A 30 -20.288 76.539 21.136 1.00 0.00 H new ATOM 0 HB ILE A 30 -21.606 75.174 22.385 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -20.942 75.902 24.642 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -21.061 74.155 24.574 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -20.508 72.924 22.508 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -20.091 73.787 21.008 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -18.920 73.712 22.346 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -19.009 74.848 25.774 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -18.592 73.985 24.274 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -18.471 75.760 24.343 1.00 0.00 H new ATOM 490 N ALA A 31 -21.136 78.159 23.045 1.00 0.00 N ATOM 491 CA ALA A 31 -21.350 79.357 23.921 1.00 0.00 C ATOM 492 C ALA A 31 -21.421 78.911 25.387 1.00 0.00 C ATOM 493 O ALA A 31 -21.677 77.761 25.671 1.00 0.00 O ATOM 494 CB ALA A 31 -22.658 80.049 23.526 1.00 0.00 C ATOM 0 H ALA A 31 -21.947 77.878 22.494 1.00 0.00 H new ATOM 0 HA ALA A 31 -20.522 80.054 23.797 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -22.815 80.920 24.162 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -22.602 80.365 22.484 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -23.489 79.355 23.650 1.00 0.00 H new ATOM 500 N ARG A 32 -21.180 79.812 26.315 1.00 0.00 N ATOM 501 CA ARG A 32 -21.211 79.444 27.761 1.00 0.00 C ATOM 502 C ARG A 32 -22.636 79.094 28.215 1.00 0.00 C ATOM 503 O ARG A 32 -22.842 78.135 28.941 1.00 0.00 O ATOM 504 CB ARG A 32 -20.666 80.615 28.584 1.00 0.00 C ATOM 505 CG ARG A 32 -21.508 81.877 28.355 1.00 0.00 C ATOM 506 CD ARG A 32 -22.607 81.982 29.419 1.00 0.00 C ATOM 507 NE ARG A 32 -22.574 83.346 30.053 1.00 0.00 N ATOM 508 CZ ARG A 32 -21.478 83.853 30.578 1.00 0.00 C ATOM 509 NH1 ARG A 32 -20.405 83.122 30.764 1.00 0.00 N ATOM 510 NH2 ARG A 32 -21.480 85.094 30.981 1.00 0.00 N ATOM 0 H ARG A 32 -20.962 80.790 26.126 1.00 0.00 H new ATOM 0 HA ARG A 32 -20.590 78.561 27.914 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -20.671 80.355 29.643 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -19.629 80.808 28.308 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -20.870 82.760 28.393 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -21.955 81.849 27.361 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -23.582 81.805 28.966 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -22.464 81.214 30.179 1.00 0.00 H new ATOM 0 HE ARG A 32 -23.431 83.898 30.077 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -20.407 82.137 30.500 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -19.569 83.539 31.173 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -22.324 85.659 30.888 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -20.638 85.499 31.389 1.00 0.00 H new ATOM 524 N SER A 33 -23.620 79.847 27.796 1.00 0.00 N ATOM 525 CA SER A 33 -25.023 79.537 28.205 1.00 0.00 C ATOM 526 C SER A 33 -25.478 78.285 27.455 1.00 0.00 C ATOM 527 O SER A 33 -26.234 77.471 27.961 1.00 0.00 O ATOM 528 CB SER A 33 -25.936 80.711 27.850 1.00 0.00 C ATOM 529 OG SER A 33 -25.562 81.228 26.580 1.00 0.00 O ATOM 0 H SER A 33 -23.514 80.661 27.190 1.00 0.00 H new ATOM 0 HA SER A 33 -25.071 79.368 29.281 1.00 0.00 H new ATOM 0 HB2 SER A 33 -26.976 80.385 27.831 1.00 0.00 H new ATOM 0 HB3 SER A 33 -25.859 81.489 28.609 1.00 0.00 H new ATOM 0 HG SER A 33 -26.146 81.980 26.348 1.00 0.00 H new ATOM 535 N THR A 34 -24.993 78.118 26.251 1.00 0.00 N ATOM 536 CA THR A 34 -25.354 76.923 25.446 1.00 0.00 C ATOM 537 C THR A 34 -24.859 75.680 26.181 1.00 0.00 C ATOM 538 O THR A 34 -25.462 74.616 26.108 1.00 0.00 O ATOM 539 CB THR A 34 -24.682 77.018 24.071 1.00 0.00 C ATOM 540 OG1 THR A 34 -25.114 78.203 23.416 1.00 0.00 O ATOM 541 CG2 THR A 34 -25.060 75.803 23.219 1.00 0.00 C ATOM 0 H THR A 34 -24.356 78.768 25.791 1.00 0.00 H new ATOM 0 HA THR A 34 -26.434 76.867 25.310 1.00 0.00 H new ATOM 0 HB THR A 34 -23.600 77.042 24.203 1.00 0.00 H new ATOM 0 HG1 THR A 34 -24.761 78.219 22.502 1.00 0.00 H new ATOM 0 HG21 THR A 34 -24.579 75.878 22.244 1.00 0.00 H new ATOM 0 HG22 THR A 34 -24.729 74.892 23.718 1.00 0.00 H new ATOM 0 HG23 THR A 34 -26.142 75.773 23.088 1.00 0.00 H new ATOM 549 N VAL A 35 -23.780 75.810 26.925 1.00 0.00 N ATOM 550 CA VAL A 35 -23.281 74.645 27.678 1.00 0.00 C ATOM 551 C VAL A 35 -24.298 74.340 28.765 1.00 0.00 C ATOM 552 O VAL A 35 -24.586 73.207 29.024 1.00 0.00 O ATOM 553 CB VAL A 35 -21.918 74.904 28.349 1.00 0.00 C ATOM 554 CG1 VAL A 35 -21.148 73.585 28.409 1.00 0.00 C ATOM 555 CG2 VAL A 35 -21.065 75.918 27.589 1.00 0.00 C ATOM 0 H VAL A 35 -23.240 76.668 27.033 1.00 0.00 H new ATOM 0 HA VAL A 35 -23.146 73.819 26.980 1.00 0.00 H new ATOM 0 HB VAL A 35 -22.115 75.311 29.341 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -20.180 73.750 28.882 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -21.716 72.858 28.990 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -20.998 73.205 27.398 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -20.118 76.059 28.109 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -20.874 75.550 26.581 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -21.594 76.870 27.534 1.00 0.00 H new ATOM 565 N TYR A 36 -24.843 75.353 29.404 1.00 0.00 N ATOM 566 CA TYR A 36 -25.836 75.086 30.492 1.00 0.00 C ATOM 567 C TYR A 36 -27.113 74.479 29.950 1.00 0.00 C ATOM 568 O TYR A 36 -27.893 73.915 30.698 1.00 0.00 O ATOM 569 CB TYR A 36 -26.052 76.338 31.347 1.00 0.00 C ATOM 570 CG TYR A 36 -24.800 76.527 32.191 1.00 0.00 C ATOM 571 CD1 TYR A 36 -24.257 75.442 32.913 1.00 0.00 C ATOM 572 CD2 TYR A 36 -24.161 77.766 32.222 1.00 0.00 C ATOM 573 CE1 TYR A 36 -23.089 75.597 33.653 1.00 0.00 C ATOM 574 CE2 TYR A 36 -22.984 77.928 32.966 1.00 0.00 C ATOM 575 CZ TYR A 36 -22.445 76.843 33.681 1.00 0.00 C ATOM 576 OH TYR A 36 -21.288 77.008 34.415 1.00 0.00 O ATOM 0 H TYR A 36 -24.646 76.337 29.221 1.00 0.00 H new ATOM 0 HA TYR A 36 -25.428 74.329 31.162 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -26.226 77.210 30.716 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -26.931 76.224 31.982 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -24.753 74.483 32.891 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -24.573 78.600 31.673 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -22.680 74.762 34.203 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -22.490 78.888 32.990 1.00 0.00 H new ATOM 0 HH TYR A 36 -20.799 76.159 34.450 1.00 0.00 H new ATOM 586 N LYS A 37 -27.294 74.489 28.662 1.00 0.00 N ATOM 587 CA LYS A 37 -28.466 73.801 28.096 1.00 0.00 C ATOM 588 C LYS A 37 -28.163 72.299 28.175 1.00 0.00 C ATOM 589 O LYS A 37 -29.017 71.481 28.455 1.00 0.00 O ATOM 590 CB LYS A 37 -28.649 74.212 26.638 1.00 0.00 C ATOM 591 CG LYS A 37 -28.898 75.720 26.557 1.00 0.00 C ATOM 592 CD LYS A 37 -28.840 76.169 25.095 1.00 0.00 C ATOM 593 CE LYS A 37 -28.823 77.698 25.032 1.00 0.00 C ATOM 594 NZ LYS A 37 -30.221 78.212 25.091 1.00 0.00 N ATOM 0 H LYS A 37 -26.681 74.943 27.985 1.00 0.00 H new ATOM 0 HA LYS A 37 -29.377 74.054 28.638 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -27.763 73.948 26.061 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -29.487 73.671 26.200 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -29.871 75.962 26.985 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -28.150 76.255 27.143 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -27.949 75.765 24.614 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -29.701 75.781 24.550 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -28.241 78.101 25.861 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -28.340 78.030 24.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -30.211 79.251 25.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -30.763 77.838 24.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -30.666 77.906 25.980 1.00 0.00 H new ATOM 608 N VAL A 38 -26.928 71.953 27.910 1.00 0.00 N ATOM 609 CA VAL A 38 -26.485 70.532 27.930 1.00 0.00 C ATOM 610 C VAL A 38 -26.244 70.013 29.377 1.00 0.00 C ATOM 611 O VAL A 38 -26.766 68.989 29.769 1.00 0.00 O ATOM 612 CB VAL A 38 -25.187 70.474 27.087 1.00 0.00 C ATOM 613 CG1 VAL A 38 -24.247 69.337 27.515 1.00 0.00 C ATOM 614 CG2 VAL A 38 -25.571 70.288 25.622 1.00 0.00 C ATOM 0 H VAL A 38 -26.191 72.618 27.675 1.00 0.00 H new ATOM 0 HA VAL A 38 -27.257 69.884 27.517 1.00 0.00 H new ATOM 0 HB VAL A 38 -24.646 71.408 27.242 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -23.355 69.347 26.888 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -23.960 69.475 28.557 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -24.758 68.381 27.403 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -24.669 70.245 25.012 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -26.131 69.360 25.508 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -26.188 71.126 25.298 1.00 0.00 H new ATOM 624 N ILE A 39 -25.426 70.692 30.141 1.00 0.00 N ATOM 625 CA ILE A 39 -25.090 70.242 31.535 1.00 0.00 C ATOM 626 C ILE A 39 -26.383 70.077 32.326 1.00 0.00 C ATOM 627 O ILE A 39 -26.542 69.157 33.105 1.00 0.00 O ATOM 628 CB ILE A 39 -24.184 71.277 32.220 1.00 0.00 C ATOM 629 CG1 ILE A 39 -23.062 71.728 31.289 1.00 0.00 C ATOM 630 CG2 ILE A 39 -23.528 70.714 33.474 1.00 0.00 C ATOM 631 CD1 ILE A 39 -23.065 73.232 31.271 1.00 0.00 C ATOM 0 H ILE A 39 -24.966 71.556 29.855 1.00 0.00 H new ATOM 0 HA ILE A 39 -24.560 69.291 31.494 1.00 0.00 H new ATOM 0 HB ILE A 39 -24.830 72.115 32.481 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -22.100 71.351 31.637 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -23.215 71.332 30.285 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -22.896 71.477 33.928 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -24.298 70.412 34.183 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -22.919 69.849 33.209 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -22.273 73.590 30.613 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -24.028 73.590 30.907 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -22.896 73.608 32.280 1.00 0.00 H new ATOM 643 N ASN A 40 -27.314 70.960 32.099 1.00 0.00 N ATOM 644 CA ASN A 40 -28.625 70.876 32.793 1.00 0.00 C ATOM 645 C ASN A 40 -29.346 69.616 32.321 1.00 0.00 C ATOM 646 O ASN A 40 -29.964 68.913 33.099 1.00 0.00 O ATOM 647 CB ASN A 40 -29.465 72.097 32.426 1.00 0.00 C ATOM 648 CG ASN A 40 -30.660 72.203 33.375 1.00 0.00 C ATOM 649 OD1 ASN A 40 -30.595 72.882 34.380 1.00 0.00 O ATOM 650 ND2 ASN A 40 -31.759 71.555 33.096 1.00 0.00 N ATOM 0 H ASN A 40 -27.220 71.745 31.454 1.00 0.00 H new ATOM 0 HA ASN A 40 -28.476 70.843 33.872 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -28.858 73.000 32.487 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -29.812 72.016 31.396 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -32.562 71.619 33.722 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -31.814 70.985 32.252 1.00 0.00 H new ATOM 657 N GLU A 41 -29.270 69.329 31.044 1.00 0.00 N ATOM 658 CA GLU A 41 -29.950 68.115 30.502 1.00 0.00 C ATOM 659 C GLU A 41 -29.365 66.859 31.155 1.00 0.00 C ATOM 660 O GLU A 41 -30.037 65.854 31.294 1.00 0.00 O ATOM 661 CB GLU A 41 -29.741 68.044 28.989 1.00 0.00 C ATOM 662 CG GLU A 41 -30.613 69.097 28.301 1.00 0.00 C ATOM 663 CD GLU A 41 -30.036 69.427 26.921 1.00 0.00 C ATOM 664 OE1 GLU A 41 -29.430 68.550 26.326 1.00 0.00 O ATOM 665 OE2 GLU A 41 -30.212 70.551 26.481 1.00 0.00 O ATOM 0 H GLU A 41 -28.765 69.885 30.354 1.00 0.00 H new ATOM 0 HA GLU A 41 -31.016 68.174 30.721 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -28.691 68.213 28.748 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -29.996 67.050 28.623 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -31.634 68.728 28.200 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -30.659 69.999 28.911 1.00 0.00 H new ATOM 672 N SER A 42 -28.118 66.909 31.553 1.00 0.00 N ATOM 673 CA SER A 42 -27.484 65.721 32.195 1.00 0.00 C ATOM 674 C SER A 42 -27.548 65.867 33.717 1.00 0.00 C ATOM 675 O SER A 42 -26.622 66.347 34.342 1.00 0.00 O ATOM 676 CB SER A 42 -26.023 65.622 31.754 1.00 0.00 C ATOM 677 OG SER A 42 -25.954 65.713 30.337 1.00 0.00 O ATOM 0 H SER A 42 -27.512 67.724 31.460 1.00 0.00 H new ATOM 0 HA SER A 42 -28.017 64.819 31.894 1.00 0.00 H new ATOM 0 HB2 SER A 42 -25.438 66.421 32.210 1.00 0.00 H new ATOM 0 HB3 SER A 42 -25.592 64.679 32.091 1.00 0.00 H new ATOM 0 HG SER A 42 -25.408 64.978 29.988 1.00 0.00 H new ATOM 683 N ASN A 43 -28.638 65.454 34.316 1.00 0.00 N ATOM 684 CA ASN A 43 -28.778 65.562 35.801 1.00 0.00 C ATOM 685 C ASN A 43 -28.669 67.029 36.225 1.00 0.00 C ATOM 686 O ASN A 43 -28.633 67.878 35.349 1.00 0.00 O ATOM 687 CB ASN A 43 -27.674 64.750 36.484 1.00 0.00 C ATOM 688 CG ASN A 43 -28.199 64.182 37.803 1.00 0.00 C ATOM 689 OD1 ASN A 43 -28.941 64.837 38.508 1.00 0.00 O ATOM 690 ND2 ASN A 43 -27.844 62.981 38.171 1.00 0.00 N ATOM 691 OXT ASN A 43 -28.623 67.279 37.419 1.00 0.00 O ATOM 0 H ASN A 43 -29.440 65.045 33.837 1.00 0.00 H new ATOM 0 HA ASN A 43 -29.751 65.171 36.098 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -27.347 63.940 35.832 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -26.805 65.381 36.668 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -28.189 62.594 39.049 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -27.221 62.430 37.580 1.00 0.00 H new TER 698 ASN A 43