USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 398 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 Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -160:sc= -0.236 (180deg=-0.896) USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 106 SER OG : rot -78:sc= 1.2 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 GLN : amide:sc= -0.128 K(o=-0.13,f=-1.9!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN :FLIP amide:sc= -0.0918 F(o=-0.65,f=-0.092) USER MOD Single : A 128 SER OG : rot 67:sc= 0.056 USER MOD Single : A 132 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 88 8.685 8.787 2.588 1.00 0.00 N ATOM 2 CA ILE A 88 8.617 9.550 1.348 1.00 0.00 C ATOM 3 C ILE A 88 9.529 8.950 0.284 1.00 0.00 C ATOM 4 O ILE A 88 9.242 9.030 -0.911 1.00 0.00 O ATOM 5 CB ILE A 88 9.008 11.023 1.572 1.00 0.00 C ATOM 6 CG1 ILE A 88 8.846 11.819 0.276 1.00 0.00 C ATOM 7 CG2 ILE A 88 10.438 11.119 2.083 1.00 0.00 C ATOM 8 CD1 ILE A 88 8.494 13.272 0.499 1.00 0.00 C ATOM 0 HA ILE A 88 7.583 9.505 1.005 1.00 0.00 H new ATOM 0 HB ILE A 88 8.344 11.450 2.324 1.00 0.00 H new ATOM 0 HG12 ILE A 88 9.773 11.762 -0.294 1.00 0.00 H new ATOM 0 HG13 ILE A 88 8.069 11.355 -0.331 1.00 0.00 H new ATOM 0 HG21 ILE A 88 10.700 12.166 2.237 1.00 0.00 H new ATOM 0 HG22 ILE A 88 10.524 10.581 3.027 1.00 0.00 H new ATOM 0 HG23 ILE A 88 11.116 10.679 1.352 1.00 0.00 H new ATOM 0 HD11 ILE A 88 8.395 13.774 -0.463 1.00 0.00 H new ATOM 0 HD12 ILE A 88 7.551 13.339 1.042 1.00 0.00 H new ATOM 0 HD13 ILE A 88 9.282 13.752 1.079 1.00 0.00 H new ATOM 20 N ASP A 89 10.627 8.346 0.724 1.00 0.00 N ATOM 21 CA ASP A 89 11.580 7.729 -0.190 1.00 0.00 C ATOM 22 C ASP A 89 11.005 6.451 -0.794 1.00 0.00 C ATOM 23 O ASP A 89 10.092 5.844 -0.233 1.00 0.00 O ATOM 24 CB ASP A 89 12.890 7.420 0.535 1.00 0.00 C ATOM 25 CG ASP A 89 12.667 6.697 1.849 1.00 0.00 C ATOM 26 OD1 ASP A 89 12.185 7.340 2.805 1.00 0.00 O ATOM 27 OD2 ASP A 89 12.974 5.489 1.921 1.00 0.00 O ATOM 0 H ASP A 89 10.879 8.271 1.709 1.00 0.00 H new ATOM 0 HA ASP A 89 11.779 8.434 -0.997 1.00 0.00 H new ATOM 0 HB2 ASP A 89 13.523 6.810 -0.109 1.00 0.00 H new ATOM 0 HB3 ASP A 89 13.427 8.350 0.722 1.00 0.00 H new ATOM 32 N VAL A 90 11.543 6.050 -1.941 1.00 0.00 N ATOM 33 CA VAL A 90 11.084 4.845 -2.621 1.00 0.00 C ATOM 34 C VAL A 90 11.150 3.634 -1.697 1.00 0.00 C ATOM 35 O VAL A 90 10.228 2.818 -1.658 1.00 0.00 O ATOM 36 CB VAL A 90 11.918 4.560 -3.884 1.00 0.00 C ATOM 37 CG1 VAL A 90 11.341 3.380 -4.650 1.00 0.00 C ATOM 38 CG2 VAL A 90 11.987 5.797 -4.767 1.00 0.00 C ATOM 0 H VAL A 90 12.298 6.542 -2.419 1.00 0.00 H new ATOM 0 HA VAL A 90 10.048 5.021 -2.912 1.00 0.00 H new ATOM 0 HB VAL A 90 12.932 4.303 -3.578 1.00 0.00 H new ATOM 0 HG11 VAL A 90 11.943 3.194 -5.539 1.00 0.00 H new ATOM 0 HG12 VAL A 90 11.349 2.495 -4.014 1.00 0.00 H new ATOM 0 HG13 VAL A 90 10.316 3.605 -4.947 1.00 0.00 H new ATOM 0 HG21 VAL A 90 12.580 5.578 -5.655 1.00 0.00 H new ATOM 0 HG22 VAL A 90 10.980 6.087 -5.066 1.00 0.00 H new ATOM 0 HG23 VAL A 90 12.451 6.614 -4.214 1.00 0.00 H new ATOM 48 N LEU A 91 12.246 3.522 -0.955 1.00 0.00 N ATOM 49 CA LEU A 91 12.433 2.410 -0.030 1.00 0.00 C ATOM 50 C LEU A 91 11.272 2.319 0.955 1.00 0.00 C ATOM 51 O LEU A 91 10.686 1.253 1.141 1.00 0.00 O ATOM 52 CB LEU A 91 13.751 2.570 0.730 1.00 0.00 C ATOM 53 CG LEU A 91 14.368 1.284 1.281 1.00 0.00 C ATOM 54 CD1 LEU A 91 15.312 0.665 0.263 1.00 0.00 C ATOM 55 CD2 LEU A 91 15.098 1.561 2.588 1.00 0.00 C ATOM 0 H LEU A 91 13.019 4.188 -0.976 1.00 0.00 H new ATOM 0 HA LEU A 91 12.465 1.488 -0.611 1.00 0.00 H new ATOM 0 HB2 LEU A 91 14.475 3.041 0.066 1.00 0.00 H new ATOM 0 HB3 LEU A 91 13.587 3.256 1.561 1.00 0.00 H new ATOM 0 HG LEU A 91 13.565 0.574 1.479 1.00 0.00 H new ATOM 0 HD11 LEU A 91 15.741 -0.249 0.673 1.00 0.00 H new ATOM 0 HD12 LEU A 91 14.762 0.430 -0.648 1.00 0.00 H new ATOM 0 HD13 LEU A 91 16.111 1.369 0.033 1.00 0.00 H new ATOM 0 HD21 LEU A 91 15.531 0.635 2.966 1.00 0.00 H new ATOM 0 HD22 LEU A 91 15.891 2.288 2.415 1.00 0.00 H new ATOM 0 HD23 LEU A 91 14.395 1.958 3.320 1.00 0.00 H new ATOM 67 N ARG A 92 10.944 3.445 1.580 1.00 0.00 N ATOM 68 CA ARG A 92 9.853 3.493 2.544 1.00 0.00 C ATOM 69 C ARG A 92 8.539 3.056 1.902 1.00 0.00 C ATOM 70 O ARG A 92 7.760 2.316 2.501 1.00 0.00 O ATOM 71 CB ARG A 92 9.708 4.905 3.114 1.00 0.00 C ATOM 72 CG ARG A 92 10.352 5.080 4.480 1.00 0.00 C ATOM 73 CD ARG A 92 9.555 6.036 5.354 1.00 0.00 C ATOM 74 NE ARG A 92 10.276 7.283 5.599 1.00 0.00 N ATOM 75 CZ ARG A 92 11.253 7.403 6.491 1.00 0.00 C ATOM 76 NH1 ARG A 92 11.624 6.359 7.218 1.00 0.00 N ATOM 77 NH2 ARG A 92 11.861 8.571 6.656 1.00 0.00 N ATOM 0 H ARG A 92 11.419 4.336 1.436 1.00 0.00 H new ATOM 0 HA ARG A 92 10.089 2.803 3.354 1.00 0.00 H new ATOM 0 HB2 ARG A 92 10.153 5.616 2.418 1.00 0.00 H new ATOM 0 HB3 ARG A 92 8.649 5.151 3.187 1.00 0.00 H new ATOM 0 HG2 ARG A 92 10.428 4.111 4.974 1.00 0.00 H new ATOM 0 HG3 ARG A 92 11.368 5.457 4.359 1.00 0.00 H new ATOM 0 HD2 ARG A 92 8.602 6.257 4.874 1.00 0.00 H new ATOM 0 HD3 ARG A 92 9.329 5.555 6.306 1.00 0.00 H new ATOM 0 HE ARG A 92 10.015 8.106 5.056 1.00 0.00 H new ATOM 0 HH11 ARG A 92 11.159 5.460 7.094 1.00 0.00 H new ATOM 0 HH12 ARG A 92 12.375 6.455 7.902 1.00 0.00 H new ATOM 0 HH21 ARG A 92 11.578 9.377 6.098 1.00 0.00 H new ATOM 0 HH22 ARG A 92 12.611 8.663 7.341 1.00 0.00 H new ATOM 91 N ALA A 93 8.302 3.520 0.680 1.00 0.00 N ATOM 92 CA ALA A 93 7.085 3.176 -0.044 1.00 0.00 C ATOM 93 C ALA A 93 7.026 1.681 -0.340 1.00 0.00 C ATOM 94 O ALA A 93 5.947 1.090 -0.393 1.00 0.00 O ATOM 95 CB ALA A 93 6.995 3.975 -1.335 1.00 0.00 C ATOM 0 H ALA A 93 8.937 4.135 0.171 1.00 0.00 H new ATOM 0 HA ALA A 93 6.233 3.429 0.587 1.00 0.00 H new ATOM 0 HB1 ALA A 93 6.081 3.708 -1.865 1.00 0.00 H new ATOM 0 HB2 ALA A 93 6.982 5.040 -1.104 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.857 3.751 -1.963 1.00 0.00 H new ATOM 101 N LYS A 94 8.192 1.075 -0.533 1.00 0.00 N ATOM 102 CA LYS A 94 8.275 -0.352 -0.824 1.00 0.00 C ATOM 103 C LYS A 94 7.911 -1.179 0.404 1.00 0.00 C ATOM 104 O LYS A 94 7.253 -2.213 0.294 1.00 0.00 O ATOM 105 CB LYS A 94 9.683 -0.716 -1.298 1.00 0.00 C ATOM 106 CG LYS A 94 9.699 -1.628 -2.513 1.00 0.00 C ATOM 107 CD LYS A 94 10.995 -1.493 -3.295 1.00 0.00 C ATOM 108 CE LYS A 94 11.703 -2.831 -3.437 1.00 0.00 C ATOM 109 NZ LYS A 94 13.178 -2.668 -3.562 1.00 0.00 N ATOM 0 H LYS A 94 9.094 1.550 -0.493 1.00 0.00 H new ATOM 0 HA LYS A 94 7.562 -0.578 -1.617 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.226 0.199 -1.534 1.00 0.00 H new ATOM 0 HB3 LYS A 94 10.218 -1.202 -0.482 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.572 -2.663 -2.194 1.00 0.00 H new ATOM 0 HG3 LYS A 94 8.856 -1.388 -3.160 1.00 0.00 H new ATOM 0 HD2 LYS A 94 10.784 -1.085 -4.284 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.652 -0.784 -2.792 1.00 0.00 H new ATOM 0 HE2 LYS A 94 11.479 -3.454 -2.571 1.00 0.00 H new ATOM 0 HE3 LYS A 94 11.320 -3.353 -4.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 13.624 -3.603 -3.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 13.394 -2.095 -4.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 13.548 -2.192 -2.714 1.00 0.00 H new ATOM 123 N ALA A 95 8.342 -0.716 1.573 1.00 0.00 N ATOM 124 CA ALA A 95 8.059 -1.412 2.821 1.00 0.00 C ATOM 125 C ALA A 95 6.585 -1.293 3.194 1.00 0.00 C ATOM 126 O ALA A 95 5.953 -2.273 3.588 1.00 0.00 O ATOM 127 CB ALA A 95 8.933 -0.865 3.941 1.00 0.00 C ATOM 0 H ALA A 95 8.889 0.138 1.681 1.00 0.00 H new ATOM 0 HA ALA A 95 8.288 -2.468 2.678 1.00 0.00 H new ATOM 0 HB1 ALA A 95 8.711 -1.394 4.868 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.983 -1.006 3.685 1.00 0.00 H new ATOM 0 HB3 ALA A 95 8.732 0.198 4.073 1.00 0.00 H new ATOM 133 N ALA A 96 6.043 -0.086 3.067 1.00 0.00 N ATOM 134 CA ALA A 96 4.643 0.160 3.389 1.00 0.00 C ATOM 135 C ALA A 96 3.721 -0.679 2.510 1.00 0.00 C ATOM 136 O ALA A 96 2.731 -1.235 2.983 1.00 0.00 O ATOM 137 CB ALA A 96 4.318 1.639 3.238 1.00 0.00 C ATOM 0 H ALA A 96 6.552 0.736 2.743 1.00 0.00 H new ATOM 0 HA ALA A 96 4.478 -0.133 4.426 1.00 0.00 H new ATOM 0 HB1 ALA A 96 3.269 1.808 3.482 1.00 0.00 H new ATOM 0 HB2 ALA A 96 4.946 2.220 3.914 1.00 0.00 H new ATOM 0 HB3 ALA A 96 4.506 1.950 2.210 1.00 0.00 H new ATOM 143 N LYS A 97 4.054 -0.764 1.226 1.00 0.00 N ATOM 144 CA LYS A 97 3.257 -1.535 0.279 1.00 0.00 C ATOM 145 C LYS A 97 3.280 -3.019 0.630 1.00 0.00 C ATOM 146 O LYS A 97 2.258 -3.701 0.549 1.00 0.00 O ATOM 147 CB LYS A 97 3.779 -1.329 -1.145 1.00 0.00 C ATOM 148 CG LYS A 97 2.812 -1.793 -2.220 1.00 0.00 C ATOM 149 CD LYS A 97 3.381 -1.576 -3.612 1.00 0.00 C ATOM 150 CE LYS A 97 4.063 -2.830 -4.137 1.00 0.00 C ATOM 151 NZ LYS A 97 5.329 -3.119 -3.409 1.00 0.00 N ATOM 0 H LYS A 97 4.870 -0.308 0.818 1.00 0.00 H new ATOM 0 HA LYS A 97 2.227 -1.182 0.337 1.00 0.00 H new ATOM 0 HB2 LYS A 97 3.995 -0.271 -1.294 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.721 -1.866 -1.259 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.588 -2.850 -2.078 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.871 -1.252 -2.122 1.00 0.00 H new ATOM 0 HD2 LYS A 97 2.581 -1.284 -4.292 1.00 0.00 H new ATOM 0 HD3 LYS A 97 4.096 -0.754 -3.590 1.00 0.00 H new ATOM 0 HE2 LYS A 97 3.386 -3.679 -4.040 1.00 0.00 H new ATOM 0 HE3 LYS A 97 4.274 -2.711 -5.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 5.925 -3.748 -3.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 5.837 -2.229 -3.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 5.111 -3.582 -2.504 1.00 0.00 H new ATOM 165 N GLU A 98 4.450 -3.512 1.023 1.00 0.00 N ATOM 166 CA GLU A 98 4.604 -4.916 1.387 1.00 0.00 C ATOM 167 C GLU A 98 3.633 -5.298 2.501 1.00 0.00 C ATOM 168 O GLU A 98 2.948 -6.317 2.418 1.00 0.00 O ATOM 169 CB GLU A 98 6.041 -5.196 1.830 1.00 0.00 C ATOM 170 CG GLU A 98 7.040 -5.205 0.685 1.00 0.00 C ATOM 171 CD GLU A 98 8.427 -4.767 1.117 1.00 0.00 C ATOM 172 OE1 GLU A 98 8.788 -5.014 2.287 1.00 0.00 O ATOM 173 OE2 GLU A 98 9.149 -4.179 0.287 1.00 0.00 O ATOM 0 H GLU A 98 5.305 -2.961 1.098 1.00 0.00 H new ATOM 0 HA GLU A 98 4.378 -5.520 0.508 1.00 0.00 H new ATOM 0 HB2 GLU A 98 6.342 -4.442 2.557 1.00 0.00 H new ATOM 0 HB3 GLU A 98 6.074 -6.160 2.338 1.00 0.00 H new ATOM 0 HG2 GLU A 98 7.095 -6.209 0.264 1.00 0.00 H new ATOM 0 HG3 GLU A 98 6.685 -4.546 -0.107 1.00 0.00 H new ATOM 180 N ARG A 99 3.581 -4.473 3.542 1.00 0.00 N ATOM 181 CA ARG A 99 2.696 -4.725 4.672 1.00 0.00 C ATOM 182 C ARG A 99 1.238 -4.755 4.226 1.00 0.00 C ATOM 183 O ARG A 99 0.444 -5.557 4.717 1.00 0.00 O ATOM 184 CB ARG A 99 2.890 -3.654 5.747 1.00 0.00 C ATOM 185 CG ARG A 99 2.270 -4.016 7.087 1.00 0.00 C ATOM 186 CD ARG A 99 3.211 -4.870 7.923 1.00 0.00 C ATOM 187 NE ARG A 99 2.673 -6.206 8.160 1.00 0.00 N ATOM 188 CZ ARG A 99 3.329 -7.157 8.815 1.00 0.00 C ATOM 189 NH1 ARG A 99 4.542 -6.920 9.296 1.00 0.00 N ATOM 190 NH2 ARG A 99 2.772 -8.349 8.991 1.00 0.00 N ATOM 0 H ARG A 99 4.141 -3.625 3.626 1.00 0.00 H new ATOM 0 HA ARG A 99 2.950 -5.700 5.089 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.957 -3.479 5.885 1.00 0.00 H new ATOM 0 HB3 ARG A 99 2.456 -2.717 5.397 1.00 0.00 H new ATOM 0 HG2 ARG A 99 2.022 -3.105 7.632 1.00 0.00 H new ATOM 0 HG3 ARG A 99 1.336 -4.554 6.924 1.00 0.00 H new ATOM 0 HD2 ARG A 99 4.173 -4.951 7.417 1.00 0.00 H new ATOM 0 HD3 ARG A 99 3.394 -4.378 8.878 1.00 0.00 H new ATOM 0 HE ARG A 99 1.742 -6.421 7.803 1.00 0.00 H new ATOM 0 HH11 ARG A 99 4.974 -6.005 9.163 1.00 0.00 H new ATOM 0 HH12 ARG A 99 5.043 -7.652 9.799 1.00 0.00 H new ATOM 0 HH21 ARG A 99 1.839 -8.535 8.623 1.00 0.00 H new ATOM 0 HH22 ARG A 99 3.277 -9.079 9.494 1.00 0.00 H new ATOM 204 N ALA A 100 0.892 -3.875 3.292 1.00 0.00 N ATOM 205 CA ALA A 100 -0.470 -3.801 2.777 1.00 0.00 C ATOM 206 C ALA A 100 -0.846 -5.080 2.036 1.00 0.00 C ATOM 207 O ALA A 100 -1.967 -5.572 2.160 1.00 0.00 O ATOM 208 CB ALA A 100 -0.625 -2.594 1.864 1.00 0.00 C ATOM 0 H ALA A 100 1.537 -3.203 2.876 1.00 0.00 H new ATOM 0 HA ALA A 100 -1.147 -3.690 3.624 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -1.647 -2.552 1.487 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -0.407 -1.684 2.423 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.067 -2.680 1.027 1.00 0.00 H new ATOM 214 N GLU A 101 0.097 -5.611 1.265 1.00 0.00 N ATOM 215 CA GLU A 101 -0.138 -6.832 0.503 1.00 0.00 C ATOM 216 C GLU A 101 -0.249 -8.039 1.430 1.00 0.00 C ATOM 217 O GLU A 101 -1.058 -8.939 1.201 1.00 0.00 O ATOM 218 CB GLU A 101 0.988 -7.054 -0.507 1.00 0.00 C ATOM 219 CG GLU A 101 0.509 -7.118 -1.948 1.00 0.00 C ATOM 220 CD GLU A 101 1.253 -8.157 -2.764 1.00 0.00 C ATOM 221 OE1 GLU A 101 2.490 -8.044 -2.886 1.00 0.00 O ATOM 222 OE2 GLU A 101 0.596 -9.085 -3.282 1.00 0.00 O ATOM 0 H GLU A 101 1.030 -5.215 1.151 1.00 0.00 H new ATOM 0 HA GLU A 101 -1.080 -6.719 -0.033 1.00 0.00 H new ATOM 0 HB2 GLU A 101 1.716 -6.248 -0.410 1.00 0.00 H new ATOM 0 HB3 GLU A 101 1.506 -7.982 -0.263 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -0.557 -7.345 -1.963 1.00 0.00 H new ATOM 0 HG3 GLU A 101 0.633 -6.140 -2.412 1.00 0.00 H new ATOM 229 N ARG A 102 0.570 -8.051 2.476 1.00 0.00 N ATOM 230 CA ARG A 102 0.565 -9.148 3.437 1.00 0.00 C ATOM 231 C ARG A 102 -0.770 -9.223 4.172 1.00 0.00 C ATOM 232 O ARG A 102 -1.304 -10.308 4.402 1.00 0.00 O ATOM 233 CB ARG A 102 1.704 -8.977 4.444 1.00 0.00 C ATOM 234 CG ARG A 102 3.014 -9.603 3.996 1.00 0.00 C ATOM 235 CD ARG A 102 3.259 -10.936 4.685 1.00 0.00 C ATOM 236 NE ARG A 102 4.683 -11.238 4.801 1.00 0.00 N ATOM 237 CZ ARG A 102 5.447 -11.588 3.772 1.00 0.00 C ATOM 238 NH1 ARG A 102 4.926 -11.678 2.556 1.00 0.00 N ATOM 239 NH2 ARG A 102 6.735 -11.847 3.958 1.00 0.00 N ATOM 0 H ARG A 102 1.245 -7.314 2.680 1.00 0.00 H new ATOM 0 HA ARG A 102 0.710 -10.078 2.888 1.00 0.00 H new ATOM 0 HB2 ARG A 102 1.862 -7.914 4.623 1.00 0.00 H new ATOM 0 HB3 ARG A 102 1.406 -9.420 5.395 1.00 0.00 H new ATOM 0 HG2 ARG A 102 2.998 -9.748 2.916 1.00 0.00 H new ATOM 0 HG3 ARG A 102 3.837 -8.923 4.214 1.00 0.00 H new ATOM 0 HD2 ARG A 102 2.810 -10.919 5.678 1.00 0.00 H new ATOM 0 HD3 ARG A 102 2.764 -11.730 4.125 1.00 0.00 H new ATOM 0 HE ARG A 102 5.115 -11.177 5.723 1.00 0.00 H new ATOM 0 HH11 ARG A 102 3.937 -11.478 2.409 1.00 0.00 H new ATOM 0 HH12 ARG A 102 5.515 -11.947 1.768 1.00 0.00 H new ATOM 0 HH21 ARG A 102 7.140 -11.777 4.892 1.00 0.00 H new ATOM 0 HH22 ARG A 102 7.321 -12.116 3.167 1.00 0.00 H new ATOM 253 N ARG A 103 -1.305 -8.062 4.536 1.00 0.00 N ATOM 254 CA ARG A 103 -2.577 -7.996 5.246 1.00 0.00 C ATOM 255 C ARG A 103 -3.723 -8.458 4.351 1.00 0.00 C ATOM 256 O ARG A 103 -4.658 -9.115 4.811 1.00 0.00 O ATOM 257 CB ARG A 103 -2.839 -6.570 5.733 1.00 0.00 C ATOM 258 CG ARG A 103 -3.876 -6.486 6.842 1.00 0.00 C ATOM 259 CD ARG A 103 -3.323 -6.999 8.162 1.00 0.00 C ATOM 260 NE ARG A 103 -2.273 -6.132 8.690 1.00 0.00 N ATOM 261 CZ ARG A 103 -1.513 -6.448 9.732 1.00 0.00 C ATOM 262 NH1 ARG A 103 -1.685 -7.605 10.355 1.00 0.00 N ATOM 263 NH2 ARG A 103 -0.578 -5.606 10.153 1.00 0.00 N ATOM 0 H ARG A 103 -0.878 -7.155 4.351 1.00 0.00 H new ATOM 0 HA ARG A 103 -2.520 -8.662 6.107 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -1.903 -6.139 6.089 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -3.170 -5.962 4.891 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -4.201 -5.452 6.960 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -4.755 -7.067 6.564 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -4.132 -7.073 8.889 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -2.927 -8.005 8.022 1.00 0.00 H new ATOM 0 HE ARG A 103 -2.115 -5.234 8.233 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -2.403 -8.255 10.034 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -1.100 -7.845 11.155 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -0.442 -4.715 9.676 1.00 0.00 H new ATOM 0 HH22 ARG A 103 0.005 -5.850 10.954 1.00 0.00 H new ATOM 277 N LEU A 104 -3.645 -8.110 3.071 1.00 0.00 N ATOM 278 CA LEU A 104 -4.675 -8.489 2.111 1.00 0.00 C ATOM 279 C LEU A 104 -4.933 -9.992 2.152 1.00 0.00 C ATOM 280 O LEU A 104 -6.054 -10.445 1.924 1.00 0.00 O ATOM 281 CB LEU A 104 -4.264 -8.069 0.699 1.00 0.00 C ATOM 282 CG LEU A 104 -5.023 -6.884 0.102 1.00 0.00 C ATOM 283 CD1 LEU A 104 -4.159 -5.632 0.121 1.00 0.00 C ATOM 284 CD2 LEU A 104 -5.478 -7.200 -1.314 1.00 0.00 C ATOM 0 H LEU A 104 -2.879 -7.566 2.674 1.00 0.00 H new ATOM 0 HA LEU A 104 -5.596 -7.974 2.383 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.201 -7.826 0.709 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.389 -8.925 0.036 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.907 -6.699 0.712 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.716 -4.799 -0.308 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.885 -5.394 1.149 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.256 -5.804 -0.465 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.016 -6.345 -1.723 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.609 -7.413 -1.937 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.135 -8.069 -1.299 1.00 0.00 H new ATOM 296 N GLN A 105 -3.888 -10.758 2.447 1.00 0.00 N ATOM 297 CA GLN A 105 -4.002 -12.210 2.520 1.00 0.00 C ATOM 298 C GLN A 105 -5.081 -12.622 3.516 1.00 0.00 C ATOM 299 O GLN A 105 -5.783 -13.611 3.310 1.00 0.00 O ATOM 300 CB GLN A 105 -2.660 -12.828 2.919 1.00 0.00 C ATOM 301 CG GLN A 105 -1.601 -12.736 1.832 1.00 0.00 C ATOM 302 CD GLN A 105 -0.224 -13.134 2.325 1.00 0.00 C ATOM 303 OE1 GLN A 105 -0.087 -13.796 3.354 1.00 0.00 O ATOM 304 NE2 GLN A 105 0.807 -12.732 1.591 1.00 0.00 N ATOM 0 H GLN A 105 -2.953 -10.398 2.639 1.00 0.00 H new ATOM 0 HA GLN A 105 -4.285 -12.577 1.534 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -2.292 -12.330 3.816 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -2.814 -13.876 3.177 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -1.884 -13.379 0.999 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -1.565 -11.716 1.450 1.00 0.00 H new ATOM 0 HE21 GLN A 105 0.648 -12.185 0.745 1.00 0.00 H new ATOM 0 HE22 GLN A 105 1.758 -12.970 1.873 1.00 0.00 H new ATOM 313 N SER A 106 -5.206 -11.856 4.595 1.00 0.00 N ATOM 314 CA SER A 106 -6.198 -12.144 5.626 1.00 0.00 C ATOM 315 C SER A 106 -7.592 -12.264 5.020 1.00 0.00 C ATOM 316 O SER A 106 -7.931 -11.555 4.072 1.00 0.00 O ATOM 317 CB SER A 106 -6.186 -11.049 6.695 1.00 0.00 C ATOM 318 OG SER A 106 -6.830 -9.876 6.229 1.00 0.00 O ATOM 0 H SER A 106 -4.634 -11.032 4.779 1.00 0.00 H new ATOM 0 HA SER A 106 -5.939 -13.096 6.089 1.00 0.00 H new ATOM 0 HB2 SER A 106 -6.685 -11.409 7.595 1.00 0.00 H new ATOM 0 HB3 SER A 106 -5.157 -10.818 6.972 1.00 0.00 H new ATOM 0 HG SER A 106 -6.224 -9.383 5.637 1.00 0.00 H new ATOM 324 N GLN A 107 -8.396 -13.166 5.573 1.00 0.00 N ATOM 325 CA GLN A 107 -9.754 -13.379 5.087 1.00 0.00 C ATOM 326 C GLN A 107 -10.710 -12.345 5.671 1.00 0.00 C ATOM 327 O GLN A 107 -11.696 -11.970 5.036 1.00 0.00 O ATOM 328 CB GLN A 107 -10.230 -14.789 5.442 1.00 0.00 C ATOM 329 CG GLN A 107 -11.528 -15.184 4.757 1.00 0.00 C ATOM 330 CD GLN A 107 -11.499 -16.602 4.223 1.00 0.00 C ATOM 331 OE1 GLN A 107 -11.751 -17.559 4.956 1.00 0.00 O ATOM 332 NE2 GLN A 107 -11.190 -16.746 2.940 1.00 0.00 N ATOM 0 H GLN A 107 -8.131 -13.761 6.358 1.00 0.00 H new ATOM 0 HA GLN A 107 -9.746 -13.268 4.003 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -9.454 -15.504 5.171 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -10.363 -14.857 6.522 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -12.352 -15.083 5.463 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -11.725 -14.495 3.936 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -10.988 -15.925 2.369 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -11.154 -17.677 2.525 1.00 0.00 H new ATOM 341 N GLN A 108 -10.412 -11.888 6.882 1.00 0.00 N ATOM 342 CA GLN A 108 -11.247 -10.898 7.552 1.00 0.00 C ATOM 343 C GLN A 108 -10.852 -9.484 7.139 1.00 0.00 C ATOM 344 O GLN A 108 -10.566 -8.637 7.985 1.00 0.00 O ATOM 345 CB GLN A 108 -11.136 -11.048 9.070 1.00 0.00 C ATOM 346 CG GLN A 108 -11.987 -12.175 9.634 1.00 0.00 C ATOM 347 CD GLN A 108 -11.390 -12.787 10.885 1.00 0.00 C ATOM 348 OE1 GLN A 108 -10.348 -12.345 11.371 1.00 0.00 O ATOM 349 NE2 GLN A 108 -12.047 -13.812 11.415 1.00 0.00 N ATOM 0 H GLN A 108 -9.599 -12.187 7.420 1.00 0.00 H new ATOM 0 HA GLN A 108 -12.281 -11.070 7.252 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -10.093 -11.224 9.334 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -11.430 -10.111 9.542 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -12.983 -11.795 9.860 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -12.106 -12.950 8.876 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -12.907 -14.146 10.980 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -11.692 -14.265 12.257 1.00 0.00 H new ATOM 358 N ASP A 109 -10.837 -9.237 5.834 1.00 0.00 N ATOM 359 CA ASP A 109 -10.477 -7.925 5.308 1.00 0.00 C ATOM 360 C ASP A 109 -11.721 -7.147 4.890 1.00 0.00 C ATOM 361 O ASP A 109 -11.752 -6.534 3.823 1.00 0.00 O ATOM 362 CB ASP A 109 -9.528 -8.072 4.117 1.00 0.00 C ATOM 363 CG ASP A 109 -10.199 -8.715 2.919 1.00 0.00 C ATOM 364 OD1 ASP A 109 -10.598 -9.894 3.024 1.00 0.00 O ATOM 365 OD2 ASP A 109 -10.325 -8.040 1.877 1.00 0.00 O ATOM 0 H ASP A 109 -11.070 -9.928 5.121 1.00 0.00 H new ATOM 0 HA ASP A 109 -9.972 -7.370 6.099 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -9.150 -7.090 3.834 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -8.668 -8.672 4.413 1.00 0.00 H new ATOM 370 N ASP A 110 -12.743 -7.177 5.738 1.00 0.00 N ATOM 371 CA ASP A 110 -13.990 -6.475 5.457 1.00 0.00 C ATOM 372 C ASP A 110 -13.804 -4.966 5.586 1.00 0.00 C ATOM 373 O ASP A 110 -13.987 -4.224 4.620 1.00 0.00 O ATOM 374 CB ASP A 110 -15.091 -6.948 6.407 1.00 0.00 C ATOM 375 CG ASP A 110 -16.474 -6.534 5.941 1.00 0.00 C ATOM 376 OD1 ASP A 110 -16.588 -6.009 4.815 1.00 0.00 O ATOM 377 OD2 ASP A 110 -17.442 -6.735 6.705 1.00 0.00 O ATOM 0 H ASP A 110 -12.733 -7.680 6.625 1.00 0.00 H new ATOM 0 HA ASP A 110 -14.283 -6.701 4.432 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -15.050 -8.034 6.495 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -14.909 -6.541 7.402 1.00 0.00 H new ATOM 382 N ILE A 111 -13.441 -4.519 6.783 1.00 0.00 N ATOM 383 CA ILE A 111 -13.230 -3.099 7.036 1.00 0.00 C ATOM 384 C ILE A 111 -11.743 -2.768 7.111 1.00 0.00 C ATOM 385 O ILE A 111 -11.337 -1.851 7.825 1.00 0.00 O ATOM 386 CB ILE A 111 -13.911 -2.654 8.344 1.00 0.00 C ATOM 387 CG1 ILE A 111 -13.426 -3.512 9.514 1.00 0.00 C ATOM 388 CG2 ILE A 111 -15.424 -2.738 8.209 1.00 0.00 C ATOM 389 CD1 ILE A 111 -13.219 -2.730 10.792 1.00 0.00 C ATOM 0 H ILE A 111 -13.287 -5.119 7.593 1.00 0.00 H new ATOM 0 HA ILE A 111 -13.677 -2.560 6.201 1.00 0.00 H new ATOM 0 HB ILE A 111 -13.641 -1.617 8.542 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -14.150 -4.306 9.697 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -12.488 -3.994 9.237 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -15.891 -2.420 9.141 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -15.754 -2.088 7.398 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -15.713 -3.766 7.990 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -12.875 -3.402 11.578 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -12.472 -1.953 10.626 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -14.160 -2.270 11.094 1.00 0.00 H new ATOM 401 N ASP A 112 -10.938 -3.520 6.369 1.00 0.00 N ATOM 402 CA ASP A 112 -9.495 -3.305 6.349 1.00 0.00 C ATOM 403 C ASP A 112 -9.004 -3.045 4.929 1.00 0.00 C ATOM 404 O ASP A 112 -8.131 -2.207 4.706 1.00 0.00 O ATOM 405 CB ASP A 112 -8.770 -4.515 6.940 1.00 0.00 C ATOM 406 CG ASP A 112 -9.104 -4.734 8.402 1.00 0.00 C ATOM 407 OD1 ASP A 112 -9.623 -3.794 9.039 1.00 0.00 O ATOM 408 OD2 ASP A 112 -8.847 -5.846 8.911 1.00 0.00 O ATOM 0 H ASP A 112 -11.259 -4.283 5.774 1.00 0.00 H new ATOM 0 HA ASP A 112 -9.274 -2.427 6.956 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -9.036 -5.407 6.372 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -7.694 -4.378 6.833 1.00 0.00 H new ATOM 413 N PHE A 113 -9.571 -3.771 3.970 1.00 0.00 N ATOM 414 CA PHE A 113 -9.190 -3.620 2.571 1.00 0.00 C ATOM 415 C PHE A 113 -9.293 -2.162 2.133 1.00 0.00 C ATOM 416 O PHE A 113 -8.520 -1.697 1.296 1.00 0.00 O ATOM 417 CB PHE A 113 -10.076 -4.496 1.682 1.00 0.00 C ATOM 418 CG PHE A 113 -9.839 -4.291 0.213 1.00 0.00 C ATOM 419 CD1 PHE A 113 -8.555 -4.318 -0.305 1.00 0.00 C ATOM 420 CD2 PHE A 113 -10.901 -4.072 -0.649 1.00 0.00 C ATOM 421 CE1 PHE A 113 -8.334 -4.129 -1.657 1.00 0.00 C ATOM 422 CE2 PHE A 113 -10.687 -3.883 -2.001 1.00 0.00 C ATOM 423 CZ PHE A 113 -9.402 -3.913 -2.505 1.00 0.00 C ATOM 0 H PHE A 113 -10.296 -4.469 4.137 1.00 0.00 H new ATOM 0 HA PHE A 113 -8.153 -3.939 2.466 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -9.901 -5.543 1.928 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -11.122 -4.287 1.906 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -7.717 -4.489 0.354 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -11.908 -4.049 -0.260 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -7.328 -4.150 -2.049 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -11.524 -3.712 -2.662 1.00 0.00 H new ATOM 0 HZ PHE A 113 -9.232 -3.768 -3.562 1.00 0.00 H new ATOM 433 N LYS A 114 -10.254 -1.446 2.705 1.00 0.00 N ATOM 434 CA LYS A 114 -10.460 -0.040 2.376 1.00 0.00 C ATOM 435 C LYS A 114 -9.205 0.776 2.665 1.00 0.00 C ATOM 436 O LYS A 114 -8.659 1.429 1.775 1.00 0.00 O ATOM 437 CB LYS A 114 -11.642 0.523 3.170 1.00 0.00 C ATOM 438 CG LYS A 114 -12.498 1.496 2.378 1.00 0.00 C ATOM 439 CD LYS A 114 -13.325 2.383 3.293 1.00 0.00 C ATOM 440 CE LYS A 114 -14.646 2.772 2.647 1.00 0.00 C ATOM 441 NZ LYS A 114 -15.196 4.030 3.224 1.00 0.00 N ATOM 0 H LYS A 114 -10.903 -1.816 3.399 1.00 0.00 H new ATOM 0 HA LYS A 114 -10.680 0.030 1.311 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -12.266 -0.303 3.511 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -11.264 1.026 4.060 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -11.859 2.116 1.749 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -13.159 0.942 1.712 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -13.517 1.862 4.231 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -12.760 3.282 3.538 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -14.503 2.897 1.574 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -15.367 1.966 2.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -16.096 4.261 2.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -15.357 3.903 4.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -14.519 4.805 3.074 1.00 0.00 H new ATOM 455 N ARG A 115 -8.751 0.733 3.913 1.00 0.00 N ATOM 456 CA ARG A 115 -7.559 1.469 4.319 1.00 0.00 C ATOM 457 C ARG A 115 -6.364 1.088 3.451 1.00 0.00 C ATOM 458 O ARG A 115 -5.652 1.954 2.942 1.00 0.00 O ATOM 459 CB ARG A 115 -7.242 1.196 5.790 1.00 0.00 C ATOM 460 CG ARG A 115 -8.095 2.003 6.756 1.00 0.00 C ATOM 461 CD ARG A 115 -7.258 3.008 7.531 1.00 0.00 C ATOM 462 NE ARG A 115 -7.263 4.326 6.901 1.00 0.00 N ATOM 463 CZ ARG A 115 -8.326 5.122 6.872 1.00 0.00 C ATOM 464 NH1 ARG A 115 -9.463 4.736 7.433 1.00 0.00 N ATOM 465 NH2 ARG A 115 -8.253 6.307 6.280 1.00 0.00 N ATOM 0 H ARG A 115 -9.190 0.196 4.661 1.00 0.00 H new ATOM 0 HA ARG A 115 -7.757 2.533 4.188 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -7.384 0.134 5.993 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -6.191 1.418 5.974 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -8.876 2.527 6.204 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -8.594 1.329 7.453 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -7.641 3.091 8.548 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -6.233 2.645 7.605 1.00 0.00 H new ATOM 0 HE ARG A 115 -6.404 4.653 6.459 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -9.524 3.825 7.889 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -10.278 5.349 7.409 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -7.380 6.608 5.847 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -9.070 6.917 6.258 1.00 0.00 H new ATOM 479 N ALA A 116 -6.149 -0.213 3.286 1.00 0.00 N ATOM 480 CA ALA A 116 -5.041 -0.709 2.479 1.00 0.00 C ATOM 481 C ALA A 116 -5.107 -0.157 1.059 1.00 0.00 C ATOM 482 O ALA A 116 -4.082 -0.008 0.394 1.00 0.00 O ATOM 483 CB ALA A 116 -5.043 -2.230 2.456 1.00 0.00 C ATOM 0 H ALA A 116 -6.728 -0.943 3.701 1.00 0.00 H new ATOM 0 HA ALA A 116 -4.111 -0.365 2.933 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -4.210 -2.586 1.850 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -4.940 -2.609 3.473 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -5.981 -2.586 2.029 1.00 0.00 H new ATOM 489 N GLU A 117 -6.318 0.144 0.602 1.00 0.00 N ATOM 490 CA GLU A 117 -6.515 0.678 -0.740 1.00 0.00 C ATOM 491 C GLU A 117 -5.992 2.108 -0.839 1.00 0.00 C ATOM 492 O GLU A 117 -5.225 2.439 -1.745 1.00 0.00 O ATOM 493 CB GLU A 117 -7.998 0.639 -1.115 1.00 0.00 C ATOM 494 CG GLU A 117 -8.251 0.756 -2.609 1.00 0.00 C ATOM 495 CD GLU A 117 -9.683 0.429 -2.985 1.00 0.00 C ATOM 496 OE1 GLU A 117 -10.419 -0.095 -2.123 1.00 0.00 O ATOM 497 OE2 GLU A 117 -10.068 0.698 -4.143 1.00 0.00 O ATOM 0 H GLU A 117 -7.176 0.027 1.141 1.00 0.00 H new ATOM 0 HA GLU A 117 -5.954 0.055 -1.437 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -8.431 -0.294 -0.754 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -8.515 1.450 -0.603 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -8.016 1.769 -2.935 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -7.577 0.085 -3.142 1.00 0.00 H new ATOM 504 N LEU A 118 -6.411 2.952 0.098 1.00 0.00 N ATOM 505 CA LEU A 118 -5.986 4.347 0.117 1.00 0.00 C ATOM 506 C LEU A 118 -4.466 4.452 0.194 1.00 0.00 C ATOM 507 O LEU A 118 -3.857 5.285 -0.476 1.00 0.00 O ATOM 508 CB LEU A 118 -6.619 5.077 1.301 1.00 0.00 C ATOM 509 CG LEU A 118 -6.531 6.604 1.273 1.00 0.00 C ATOM 510 CD1 LEU A 118 -7.327 7.164 0.106 1.00 0.00 C ATOM 511 CD2 LEU A 118 -7.025 7.190 2.588 1.00 0.00 C ATOM 0 H LEU A 118 -7.045 2.694 0.854 1.00 0.00 H new ATOM 0 HA LEU A 118 -6.318 4.815 -0.810 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -7.670 4.795 1.356 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -6.145 4.722 2.216 1.00 0.00 H new ATOM 0 HG LEU A 118 -5.486 6.886 1.141 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -7.252 8.251 0.103 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -6.928 6.770 -0.829 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -8.373 6.873 0.206 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -6.955 8.277 2.551 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -8.063 6.898 2.749 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -6.411 6.815 3.407 1.00 0.00 H new ATOM 523 N ALA A 119 -3.860 3.599 1.012 1.00 0.00 N ATOM 524 CA ALA A 119 -2.411 3.593 1.173 1.00 0.00 C ATOM 525 C ALA A 119 -1.715 3.223 -0.131 1.00 0.00 C ATOM 526 O ALA A 119 -0.692 3.808 -0.489 1.00 0.00 O ATOM 527 CB ALA A 119 -2.007 2.630 2.280 1.00 0.00 C ATOM 0 H ALA A 119 -4.350 2.903 1.574 1.00 0.00 H new ATOM 0 HA ALA A 119 -2.097 4.600 1.449 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -0.923 2.636 2.389 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -2.468 2.940 3.218 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -2.341 1.624 2.027 1.00 0.00 H new ATOM 533 N LEU A 120 -2.275 2.247 -0.839 1.00 0.00 N ATOM 534 CA LEU A 120 -1.708 1.798 -2.106 1.00 0.00 C ATOM 535 C LEU A 120 -1.713 2.924 -3.134 1.00 0.00 C ATOM 536 O LEU A 120 -0.806 3.030 -3.960 1.00 0.00 O ATOM 537 CB LEU A 120 -2.491 0.599 -2.641 1.00 0.00 C ATOM 538 CG LEU A 120 -2.109 -0.765 -2.064 1.00 0.00 C ATOM 539 CD1 LEU A 120 -3.194 -1.790 -2.354 1.00 0.00 C ATOM 540 CD2 LEU A 120 -0.772 -1.226 -2.628 1.00 0.00 C ATOM 0 H LEU A 120 -3.121 1.752 -0.557 1.00 0.00 H new ATOM 0 HA LEU A 120 -0.675 1.499 -1.928 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -3.551 0.768 -2.450 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -2.365 0.562 -3.723 1.00 0.00 H new ATOM 0 HG LEU A 120 -2.011 -0.667 -0.983 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -2.905 -2.754 -1.936 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -4.131 -1.465 -1.902 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -3.325 -1.886 -3.432 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -0.515 -2.198 -2.207 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -0.843 -1.308 -3.713 1.00 0.00 H new ATOM 0 HD23 LEU A 120 0.001 -0.503 -2.369 1.00 0.00 H new ATOM 552 N LYS A 121 -2.740 3.765 -3.078 1.00 0.00 N ATOM 553 CA LYS A 121 -2.863 4.886 -4.002 1.00 0.00 C ATOM 554 C LYS A 121 -1.882 5.998 -3.643 1.00 0.00 C ATOM 555 O LYS A 121 -1.369 6.693 -4.520 1.00 0.00 O ATOM 556 CB LYS A 121 -4.294 5.430 -3.989 1.00 0.00 C ATOM 557 CG LYS A 121 -5.317 4.466 -4.564 1.00 0.00 C ATOM 558 CD LYS A 121 -5.401 4.579 -6.077 1.00 0.00 C ATOM 559 CE LYS A 121 -6.118 3.383 -6.685 1.00 0.00 C ATOM 560 NZ LYS A 121 -5.168 2.444 -7.344 1.00 0.00 N ATOM 0 H LYS A 121 -3.500 3.691 -2.402 1.00 0.00 H new ATOM 0 HA LYS A 121 -2.626 4.526 -5.003 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -4.572 5.672 -2.963 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -4.325 6.360 -4.556 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -5.051 3.445 -4.289 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -6.295 4.669 -4.128 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -5.926 5.495 -6.346 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -4.397 4.653 -6.494 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -6.669 2.855 -5.906 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -6.850 3.730 -7.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -5.695 1.642 -7.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -4.660 2.940 -8.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -4.485 2.093 -6.643 1.00 0.00 H new ATOM 574 N ARG A 122 -1.625 6.158 -2.349 1.00 0.00 N ATOM 575 CA ARG A 122 -0.705 7.185 -1.874 1.00 0.00 C ATOM 576 C ARG A 122 0.723 6.882 -2.319 1.00 0.00 C ATOM 577 O ARG A 122 1.441 7.769 -2.782 1.00 0.00 O ATOM 578 CB ARG A 122 -0.765 7.289 -0.349 1.00 0.00 C ATOM 579 CG ARG A 122 -2.141 7.654 0.182 1.00 0.00 C ATOM 580 CD ARG A 122 -2.155 9.053 0.778 1.00 0.00 C ATOM 581 NE ARG A 122 -3.338 9.808 0.375 1.00 0.00 N ATOM 582 CZ ARG A 122 -3.673 10.983 0.897 1.00 0.00 C ATOM 583 NH1 ARG A 122 -2.917 11.534 1.836 1.00 0.00 N ATOM 584 NH2 ARG A 122 -4.765 11.609 0.478 1.00 0.00 N ATOM 0 H ARG A 122 -2.041 5.590 -1.611 1.00 0.00 H new ATOM 0 HA ARG A 122 -1.008 8.138 -2.307 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -0.458 6.337 0.084 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -0.046 8.037 -0.016 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -2.871 7.594 -0.625 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -2.443 6.931 0.940 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -2.122 8.984 1.865 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -1.259 9.589 0.465 1.00 0.00 H new ATOM 0 HE ARG A 122 -3.940 9.412 -0.347 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -2.076 11.056 2.159 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -3.176 12.436 2.235 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -5.348 11.188 -0.245 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -5.021 12.511 0.879 1.00 0.00 H new ATOM 598 N ALA A 123 1.128 5.625 -2.174 1.00 0.00 N ATOM 599 CA ALA A 123 2.470 5.205 -2.561 1.00 0.00 C ATOM 600 C ALA A 123 2.673 5.338 -4.067 1.00 0.00 C ATOM 601 O ALA A 123 3.699 5.843 -4.521 1.00 0.00 O ATOM 602 CB ALA A 123 2.723 3.772 -2.116 1.00 0.00 C ATOM 0 H ALA A 123 0.547 4.879 -1.791 1.00 0.00 H new ATOM 0 HA ALA A 123 3.187 5.859 -2.065 1.00 0.00 H new ATOM 0 HB1 ALA A 123 3.728 3.471 -2.411 1.00 0.00 H new ATOM 0 HB2 ALA A 123 2.628 3.705 -1.032 1.00 0.00 H new ATOM 0 HB3 ALA A 123 1.994 3.111 -2.585 1.00 0.00 H new ATOM 608 N MET A 124 1.689 4.882 -4.835 1.00 0.00 N ATOM 609 CA MET A 124 1.761 4.951 -6.289 1.00 0.00 C ATOM 610 C MET A 124 1.795 6.400 -6.764 1.00 0.00 C ATOM 611 O MET A 124 2.649 6.782 -7.563 1.00 0.00 O ATOM 612 CB MET A 124 0.569 4.225 -6.916 1.00 0.00 C ATOM 613 CG MET A 124 0.752 3.918 -8.393 1.00 0.00 C ATOM 614 SD MET A 124 -0.806 3.560 -9.227 1.00 0.00 S ATOM 615 CE MET A 124 -1.070 1.858 -8.734 1.00 0.00 C ATOM 0 H MET A 124 0.833 4.461 -4.474 1.00 0.00 H new ATOM 0 HA MET A 124 2.682 4.462 -6.605 1.00 0.00 H new ATOM 0 HB2 MET A 124 0.398 3.292 -6.378 1.00 0.00 H new ATOM 0 HB3 MET A 124 -0.325 4.835 -6.788 1.00 0.00 H new ATOM 0 HG2 MET A 124 1.233 4.766 -8.879 1.00 0.00 H new ATOM 0 HG3 MET A 124 1.422 3.066 -8.502 1.00 0.00 H new ATOM 0 HE1 MET A 124 -1.999 1.492 -9.172 1.00 0.00 H new ATOM 0 HE2 MET A 124 -0.238 1.245 -9.082 1.00 0.00 H new ATOM 0 HE3 MET A 124 -1.134 1.800 -7.647 1.00 0.00 H new ATOM 625 N ASN A 125 0.860 7.203 -6.265 1.00 0.00 N ATOM 626 CA ASN A 125 0.783 8.611 -6.640 1.00 0.00 C ATOM 627 C ASN A 125 2.107 9.319 -6.370 1.00 0.00 C ATOM 628 O ASN A 125 2.603 10.071 -7.209 1.00 0.00 O ATOM 629 CB ASN A 125 -0.345 9.303 -5.872 1.00 0.00 C ATOM 630 CG ASN A 125 -0.526 10.750 -6.290 1.00 0.00 C ATOM 631 OD1 ASN A 125 0.323 11.627 -5.767 1.00 0.00 O flip ATOM 632 ND2 ASN A 125 -1.418 11.074 -7.074 1.00 0.00 N flip ATOM 0 H ASN A 125 0.146 6.903 -5.601 1.00 0.00 H new ATOM 0 HA ASN A 125 0.574 8.666 -7.708 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -1.277 8.761 -6.034 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -0.133 9.260 -4.804 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -2.048 10.366 -7.451 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -1.527 12.051 -7.347 1.00 0.00 H new ATOM 639 N ARG A 126 2.674 9.072 -5.194 1.00 0.00 N ATOM 640 CA ARG A 126 3.940 9.687 -4.812 1.00 0.00 C ATOM 641 C ARG A 126 5.054 9.278 -5.773 1.00 0.00 C ATOM 642 O ARG A 126 5.844 10.113 -6.216 1.00 0.00 O ATOM 643 CB ARG A 126 4.314 9.290 -3.383 1.00 0.00 C ATOM 644 CG ARG A 126 4.345 10.461 -2.415 1.00 0.00 C ATOM 645 CD ARG A 126 4.218 9.994 -0.973 1.00 0.00 C ATOM 646 NE ARG A 126 3.024 10.532 -0.326 1.00 0.00 N ATOM 647 CZ ARG A 126 2.480 10.008 0.765 1.00 0.00 C ATOM 648 NH1 ARG A 126 3.022 8.938 1.332 1.00 0.00 N ATOM 649 NH2 ARG A 126 1.393 10.554 1.294 1.00 0.00 N ATOM 0 H ARG A 126 2.277 8.451 -4.489 1.00 0.00 H new ATOM 0 HA ARG A 126 3.819 10.769 -4.861 1.00 0.00 H new ATOM 0 HB2 ARG A 126 3.600 8.550 -3.022 1.00 0.00 H new ATOM 0 HB3 ARG A 126 5.293 8.811 -3.392 1.00 0.00 H new ATOM 0 HG2 ARG A 126 5.277 11.013 -2.539 1.00 0.00 H new ATOM 0 HG3 ARG A 126 3.533 11.150 -2.649 1.00 0.00 H new ATOM 0 HD2 ARG A 126 4.185 8.905 -0.946 1.00 0.00 H new ATOM 0 HD3 ARG A 126 5.102 10.300 -0.414 1.00 0.00 H new ATOM 0 HE ARG A 126 2.584 11.356 -0.736 1.00 0.00 H new ATOM 0 HH11 ARG A 126 3.859 8.516 0.929 1.00 0.00 H new ATOM 0 HH12 ARG A 126 2.602 8.537 2.171 1.00 0.00 H new ATOM 0 HH21 ARG A 126 0.974 11.378 0.862 1.00 0.00 H new ATOM 0 HH22 ARG A 126 0.976 10.150 2.133 1.00 0.00 H new ATOM 663 N LEU A 127 5.111 7.990 -6.091 1.00 0.00 N ATOM 664 CA LEU A 127 6.128 7.470 -6.998 1.00 0.00 C ATOM 665 C LEU A 127 6.084 8.197 -8.339 1.00 0.00 C ATOM 666 O LEU A 127 7.121 8.455 -8.950 1.00 0.00 O ATOM 667 CB LEU A 127 5.928 5.968 -7.212 1.00 0.00 C ATOM 668 CG LEU A 127 6.489 5.055 -6.122 1.00 0.00 C ATOM 669 CD1 LEU A 127 5.771 3.713 -6.129 1.00 0.00 C ATOM 670 CD2 LEU A 127 7.987 4.861 -6.306 1.00 0.00 C ATOM 0 H LEU A 127 4.465 7.286 -5.734 1.00 0.00 H new ATOM 0 HA LEU A 127 7.105 7.639 -6.546 1.00 0.00 H new ATOM 0 HB2 LEU A 127 4.860 5.774 -7.306 1.00 0.00 H new ATOM 0 HB3 LEU A 127 6.387 5.692 -8.161 1.00 0.00 H new ATOM 0 HG LEU A 127 6.321 5.530 -5.155 1.00 0.00 H new ATOM 0 HD11 LEU A 127 6.183 3.076 -5.347 1.00 0.00 H new ATOM 0 HD12 LEU A 127 4.707 3.868 -5.948 1.00 0.00 H new ATOM 0 HD13 LEU A 127 5.907 3.232 -7.098 1.00 0.00 H new ATOM 0 HD21 LEU A 127 8.369 4.208 -5.521 1.00 0.00 H new ATOM 0 HD22 LEU A 127 8.178 4.408 -7.279 1.00 0.00 H new ATOM 0 HD23 LEU A 127 8.489 5.827 -6.250 1.00 0.00 H new ATOM 682 N SER A 128 4.877 8.525 -8.788 1.00 0.00 N ATOM 683 CA SER A 128 4.698 9.221 -10.057 1.00 0.00 C ATOM 684 C SER A 128 5.340 10.605 -10.013 1.00 0.00 C ATOM 685 O SER A 128 6.126 10.965 -10.891 1.00 0.00 O ATOM 686 CB SER A 128 3.210 9.348 -10.388 1.00 0.00 C ATOM 687 OG SER A 128 2.612 8.072 -10.543 1.00 0.00 O ATOM 0 H SER A 128 4.009 8.320 -8.293 1.00 0.00 H new ATOM 0 HA SER A 128 5.188 8.636 -10.836 1.00 0.00 H new ATOM 0 HB2 SER A 128 2.703 9.897 -9.594 1.00 0.00 H new ATOM 0 HB3 SER A 128 3.086 9.925 -11.304 1.00 0.00 H new ATOM 0 HG SER A 128 2.603 7.608 -9.680 1.00 0.00 H new ATOM 693 N VAL A 129 5.000 11.376 -8.986 1.00 0.00 N ATOM 694 CA VAL A 129 5.543 12.720 -8.825 1.00 0.00 C ATOM 695 C VAL A 129 7.056 12.683 -8.643 1.00 0.00 C ATOM 696 O VAL A 129 7.769 13.572 -9.106 1.00 0.00 O ATOM 697 CB VAL A 129 4.909 13.441 -7.622 1.00 0.00 C ATOM 698 CG1 VAL A 129 5.483 14.842 -7.476 1.00 0.00 C ATOM 699 CG2 VAL A 129 3.395 13.488 -7.766 1.00 0.00 C ATOM 0 H VAL A 129 4.351 11.093 -8.252 1.00 0.00 H new ATOM 0 HA VAL A 129 5.303 13.270 -9.735 1.00 0.00 H new ATOM 0 HB VAL A 129 5.147 12.881 -6.718 1.00 0.00 H new ATOM 0 HG11 VAL A 129 5.023 15.336 -6.620 1.00 0.00 H new ATOM 0 HG12 VAL A 129 6.560 14.780 -7.323 1.00 0.00 H new ATOM 0 HG13 VAL A 129 5.278 15.415 -8.380 1.00 0.00 H new ATOM 0 HG21 VAL A 129 2.964 14.001 -6.907 1.00 0.00 H new ATOM 0 HG22 VAL A 129 3.133 14.024 -8.678 1.00 0.00 H new ATOM 0 HG23 VAL A 129 3.003 12.472 -7.817 1.00 0.00 H new ATOM 709 N ALA A 130 7.539 11.647 -7.965 1.00 0.00 N ATOM 710 CA ALA A 130 8.968 11.492 -7.723 1.00 0.00 C ATOM 711 C ALA A 130 9.747 11.463 -9.034 1.00 0.00 C ATOM 712 O ALA A 130 10.675 12.247 -9.231 1.00 0.00 O ATOM 713 CB ALA A 130 9.234 10.226 -6.921 1.00 0.00 C ATOM 0 H ALA A 130 6.962 10.903 -7.574 1.00 0.00 H new ATOM 0 HA ALA A 130 9.309 12.352 -7.147 1.00 0.00 H new ATOM 0 HB1 ALA A 130 10.305 10.123 -6.748 1.00 0.00 H new ATOM 0 HB2 ALA A 130 8.716 10.286 -5.964 1.00 0.00 H new ATOM 0 HB3 ALA A 130 8.872 9.361 -7.476 1.00 0.00 H new ATOM 719 N GLU A 131 9.363 10.555 -9.926 1.00 0.00 N ATOM 720 CA GLU A 131 10.028 10.425 -11.217 1.00 0.00 C ATOM 721 C GLU A 131 10.109 11.774 -11.925 1.00 0.00 C ATOM 722 O GLU A 131 11.198 12.284 -12.189 1.00 0.00 O ATOM 723 CB GLU A 131 9.286 9.418 -12.098 1.00 0.00 C ATOM 724 CG GLU A 131 10.183 8.333 -12.670 1.00 0.00 C ATOM 725 CD GLU A 131 9.625 7.726 -13.943 1.00 0.00 C ATOM 726 OE1 GLU A 131 9.071 8.483 -14.768 1.00 0.00 O ATOM 727 OE2 GLU A 131 9.742 6.495 -14.115 1.00 0.00 O ATOM 0 H GLU A 131 8.596 9.899 -9.778 1.00 0.00 H new ATOM 0 HA GLU A 131 11.042 10.065 -11.041 1.00 0.00 H new ATOM 0 HB2 GLU A 131 8.493 8.951 -11.513 1.00 0.00 H new ATOM 0 HB3 GLU A 131 8.806 9.951 -12.919 1.00 0.00 H new ATOM 0 HG2 GLU A 131 11.169 8.751 -12.873 1.00 0.00 H new ATOM 0 HG3 GLU A 131 10.317 7.548 -11.926 1.00 0.00 H new ATOM 734 N MET A 132 8.949 12.346 -12.231 1.00 0.00 N ATOM 735 CA MET A 132 8.889 13.636 -12.909 1.00 0.00 C ATOM 736 C MET A 132 8.805 14.777 -11.900 1.00 0.00 C ATOM 737 O MET A 132 8.042 15.725 -12.081 1.00 0.00 O ATOM 738 CB MET A 132 7.686 13.685 -13.852 1.00 0.00 C ATOM 739 CG MET A 132 7.754 12.666 -14.978 1.00 0.00 C ATOM 740 SD MET A 132 7.773 13.432 -16.610 1.00 0.00 S ATOM 741 CE MET A 132 6.312 12.702 -17.344 1.00 0.00 C ATOM 0 H MET A 132 8.039 11.937 -12.020 1.00 0.00 H new ATOM 0 HA MET A 132 9.803 13.755 -13.491 1.00 0.00 H new ATOM 0 HB2 MET A 132 6.776 13.517 -13.276 1.00 0.00 H new ATOM 0 HB3 MET A 132 7.612 14.684 -14.281 1.00 0.00 H new ATOM 0 HG2 MET A 132 8.649 12.056 -14.857 1.00 0.00 H new ATOM 0 HG3 MET A 132 6.899 11.994 -14.907 1.00 0.00 H new ATOM 0 HE1 MET A 132 6.188 13.079 -18.359 1.00 0.00 H new ATOM 0 HE2 MET A 132 6.421 11.618 -17.370 1.00 0.00 H new ATOM 0 HE3 MET A 132 5.437 12.964 -16.750 1.00 0.00 H new ATOM 751 N LYS A 133 9.595 14.679 -10.836 1.00 0.00 N ATOM 752 CA LYS A 133 9.612 15.702 -9.797 1.00 0.00 C ATOM 753 C LYS A 133 10.175 17.014 -10.335 1.00 0.00 C ATOM 754 O LYS A 133 10.420 17.150 -11.534 1.00 0.00 O ATOM 755 CB LYS A 133 10.442 15.231 -8.601 1.00 0.00 C ATOM 756 CG LYS A 133 10.540 16.258 -7.486 1.00 0.00 C ATOM 757 CD LYS A 133 11.983 16.644 -7.208 1.00 0.00 C ATOM 758 CE LYS A 133 12.071 17.934 -6.407 1.00 0.00 C ATOM 759 NZ LYS A 133 13.345 18.026 -5.643 1.00 0.00 N ATOM 0 H LYS A 133 10.233 13.900 -10.671 1.00 0.00 H new ATOM 0 HA LYS A 133 8.585 15.873 -9.473 1.00 0.00 H new ATOM 0 HB2 LYS A 133 10.004 14.316 -8.203 1.00 0.00 H new ATOM 0 HB3 LYS A 133 11.446 14.981 -8.942 1.00 0.00 H new ATOM 0 HG2 LYS A 133 9.971 17.147 -7.758 1.00 0.00 H new ATOM 0 HG3 LYS A 133 10.089 15.856 -6.579 1.00 0.00 H new ATOM 0 HD2 LYS A 133 12.477 15.841 -6.661 1.00 0.00 H new ATOM 0 HD3 LYS A 133 12.517 16.763 -8.151 1.00 0.00 H new ATOM 0 HE2 LYS A 133 11.990 18.787 -7.081 1.00 0.00 H new ATOM 0 HE3 LYS A 133 11.229 17.991 -5.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 13.367 18.919 -5.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 13.411 17.226 -4.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 14.148 17.997 -6.303 1.00 0.00 H new TER 773 LYS A 133