USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 804 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 57 TYR OH : rot 121:sc= -1.66! USER MOD Set 1.2: A 71 LYS NZ :NH3+ -163:sc= 1.04 (180deg=-0.565!) USER MOD Set 2.1: A 30 GLN : amide:sc= -0.541 K(o=0.6,f=-4.8!) USER MOD Set 2.2: A 34 LYS NZ :NH3+ 159:sc= 1.14 (180deg=0.682) USER MOD Set 3.1: A 11 LYS NZ :NH3+ -177:sc= 1.16 (180deg=0.183) USER MOD Set 3.2: A 56 TYR OH : rot -30:sc= 0.647 USER MOD Single : A 0 SER OG : rot 30:sc= 0.474 USER MOD Single : A 9 LYS NZ :NH3+ 160:sc= -0.0399 (180deg=-0.322) USER MOD Single : A -1 GLY N :NH3+ 147:sc= 1.3 (180deg=0.803) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN :FLIP amide:sc=-0.00913 F(o=-1.8!,f=-0.0091) USER MOD Single : A 23 LYS NZ :NH3+ -165:sc= 1.07 (180deg=0.941) USER MOD Single : A 28 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0108) USER MOD Single : A 36 LYS NZ :NH3+ -146:sc= -0.944 (180deg=-2.04!) USER MOD Single : A 37 TYR OH : rot -70:sc= -2.39! USER MOD Single : A 41 THR OG1 : rot -171:sc= 1.17 USER MOD Single : A 42 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0938) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 154:sc= 0.216 USER MOD Single : A 50 SER OG : rot -13:sc= 1.12 USER MOD Single : A 53 LYS NZ :NH3+ -177:sc= 1.27 (180deg=1.2) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 157:sc= 1.7 (180deg=-0.65!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 153:sc= -4.23! (180deg=-7.51!) USER MOD Single : A 85 LYS NZ :NH3+ 174:sc=-0.00157 (180deg=-0.0437) USER MOD Single : A 88 LYS NZ :NH3+ -138:sc= -1.33! (180deg=-4.18!) USER MOD Single : A 96 TYR OH : rot -141:sc= -4.11! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 6.770 9.704 3.456 1.00 0.00 N ATOM 2 CA GLY A -1 8.083 9.023 3.516 1.00 0.00 C ATOM 3 C GLY A -1 7.943 7.533 3.761 1.00 0.00 C ATOM 4 O GLY A -1 6.987 7.090 4.396 1.00 0.00 O ATOM 0 H1 GLY A -1 6.860 10.667 3.839 1.00 0.00 H new ATOM 0 H2 GLY A -1 6.449 9.753 2.468 1.00 0.00 H new ATOM 0 H3 GLY A -1 6.077 9.171 4.019 1.00 0.00 H new ATOM 0 HA2 GLY A -1 8.619 9.187 2.581 1.00 0.00 H new ATOM 0 HA3 GLY A -1 8.684 9.465 4.310 1.00 0.00 H new ATOM 10 N SER A 0 8.893 6.762 3.253 1.00 0.00 N ATOM 11 CA SER A 0 8.913 5.324 3.460 1.00 0.00 C ATOM 12 C SER A 0 10.050 4.958 4.409 1.00 0.00 C ATOM 13 O SER A 0 11.194 5.350 4.207 1.00 0.00 O ATOM 14 CB SER A 0 9.070 4.587 2.119 1.00 0.00 C ATOM 15 OG SER A 0 8.974 3.180 2.276 1.00 0.00 O ATOM 0 H SER A 0 9.667 7.114 2.689 1.00 0.00 H new ATOM 0 HA SER A 0 7.967 5.017 3.905 1.00 0.00 H new ATOM 0 HB2 SER A 0 8.302 4.928 1.425 1.00 0.00 H new ATOM 0 HB3 SER A 0 10.034 4.838 1.677 1.00 0.00 H new ATOM 0 HG SER A 0 8.386 2.975 3.032 1.00 0.00 H new ATOM 21 N LEU A 1 9.715 4.230 5.457 1.00 0.00 N ATOM 22 CA LEU A 1 10.689 3.789 6.444 1.00 0.00 C ATOM 23 C LEU A 1 10.610 2.289 6.604 1.00 0.00 C ATOM 24 O LEU A 1 9.634 1.786 7.160 1.00 0.00 O ATOM 25 CB LEU A 1 10.425 4.437 7.806 1.00 0.00 C ATOM 26 CG LEU A 1 8.965 4.813 8.086 1.00 0.00 C ATOM 27 CD1 LEU A 1 8.635 4.645 9.562 1.00 0.00 C ATOM 28 CD2 LEU A 1 8.677 6.235 7.618 1.00 0.00 C ATOM 0 H LEU A 1 8.761 3.926 5.651 1.00 0.00 H new ATOM 0 HA LEU A 1 11.678 4.084 6.093 1.00 0.00 H new ATOM 0 HB2 LEU A 1 10.762 3.754 8.585 1.00 0.00 H new ATOM 0 HB3 LEU A 1 11.035 5.337 7.885 1.00 0.00 H new ATOM 0 HG LEU A 1 8.324 4.136 7.522 1.00 0.00 H new ATOM 0 HD11 LEU A 1 7.594 4.918 9.735 1.00 0.00 H new ATOM 0 HD12 LEU A 1 8.791 3.607 9.854 1.00 0.00 H new ATOM 0 HD13 LEU A 1 9.283 5.290 10.155 1.00 0.00 H new ATOM 0 HD21 LEU A 1 7.636 6.483 7.826 1.00 0.00 H new ATOM 0 HD22 LEU A 1 9.328 6.931 8.147 1.00 0.00 H new ATOM 0 HD23 LEU A 1 8.861 6.310 6.546 1.00 0.00 H new ATOM 40 N ILE A 2 11.613 1.567 6.118 1.00 0.00 N ATOM 41 CA ILE A 2 11.595 0.120 6.257 1.00 0.00 C ATOM 42 C ILE A 2 12.863 -0.559 5.724 1.00 0.00 C ATOM 43 O ILE A 2 13.039 -1.765 5.910 1.00 0.00 O ATOM 44 CB ILE A 2 10.348 -0.478 5.548 1.00 0.00 C ATOM 45 CG1 ILE A 2 9.826 -1.685 6.330 1.00 0.00 C ATOM 46 CG2 ILE A 2 10.642 -0.852 4.102 1.00 0.00 C ATOM 47 CD1 ILE A 2 9.232 -1.313 7.674 1.00 0.00 C ATOM 0 H ILE A 2 12.427 1.949 5.637 1.00 0.00 H new ATOM 0 HA ILE A 2 11.551 -0.080 7.328 1.00 0.00 H new ATOM 0 HB ILE A 2 9.575 0.290 5.527 1.00 0.00 H new ATOM 0 HG12 ILE A 2 9.070 -2.196 5.735 1.00 0.00 H new ATOM 0 HG13 ILE A 2 10.642 -2.391 6.483 1.00 0.00 H new ATOM 0 HG21 ILE A 2 9.744 -1.266 3.643 1.00 0.00 H new ATOM 0 HG22 ILE A 2 10.953 0.036 3.553 1.00 0.00 H new ATOM 0 HG23 ILE A 2 11.439 -1.595 4.073 1.00 0.00 H new ATOM 0 HD11 ILE A 2 8.880 -2.213 8.178 1.00 0.00 H new ATOM 0 HD12 ILE A 2 9.992 -0.828 8.286 1.00 0.00 H new ATOM 0 HD13 ILE A 2 8.396 -0.630 7.526 1.00 0.00 H new ATOM 59 N LEU A 3 13.759 0.185 5.081 1.00 0.00 N ATOM 60 CA LEU A 3 14.881 -0.466 4.413 1.00 0.00 C ATOM 61 C LEU A 3 16.180 0.339 4.483 1.00 0.00 C ATOM 62 O LEU A 3 17.252 -0.216 4.236 1.00 0.00 O ATOM 63 CB LEU A 3 14.505 -0.759 2.960 1.00 0.00 C ATOM 64 CG LEU A 3 15.056 -2.067 2.399 1.00 0.00 C ATOM 65 CD1 LEU A 3 14.560 -3.251 3.216 1.00 0.00 C ATOM 66 CD2 LEU A 3 14.654 -2.227 0.945 1.00 0.00 C ATOM 0 H LEU A 3 13.735 1.202 5.009 1.00 0.00 H new ATOM 0 HA LEU A 3 15.079 -1.396 4.945 1.00 0.00 H new ATOM 0 HB2 LEU A 3 13.418 -0.776 2.879 1.00 0.00 H new ATOM 0 HB3 LEU A 3 14.858 0.063 2.337 1.00 0.00 H new ATOM 0 HG LEU A 3 16.144 -2.037 2.461 1.00 0.00 H new ATOM 0 HD11 LEU A 3 14.964 -4.174 2.800 1.00 0.00 H new ATOM 0 HD12 LEU A 3 14.890 -3.144 4.249 1.00 0.00 H new ATOM 0 HD13 LEU A 3 13.471 -3.284 3.184 1.00 0.00 H new ATOM 0 HD21 LEU A 3 15.054 -3.164 0.558 1.00 0.00 H new ATOM 0 HD22 LEU A 3 13.567 -2.237 0.867 1.00 0.00 H new ATOM 0 HD23 LEU A 3 15.052 -1.395 0.364 1.00 0.00 H new ATOM 78 N ASP A 4 16.085 1.638 4.778 1.00 0.00 N ATOM 79 CA ASP A 4 17.264 2.499 4.994 1.00 0.00 C ATOM 80 C ASP A 4 18.096 2.660 3.726 1.00 0.00 C ATOM 81 O ASP A 4 19.196 3.212 3.763 1.00 0.00 O ATOM 82 CB ASP A 4 18.167 1.945 6.107 1.00 0.00 C ATOM 83 CG ASP A 4 17.493 1.885 7.461 1.00 0.00 C ATOM 84 OD1 ASP A 4 17.604 2.859 8.234 1.00 0.00 O ATOM 85 OD2 ASP A 4 16.870 0.847 7.773 1.00 0.00 O ATOM 0 H ASP A 4 15.195 2.127 4.875 1.00 0.00 H new ATOM 0 HA ASP A 4 16.875 3.474 5.289 1.00 0.00 H new ATOM 0 HB2 ASP A 4 18.498 0.944 5.830 1.00 0.00 H new ATOM 0 HB3 ASP A 4 19.060 2.566 6.182 1.00 0.00 H new ATOM 90 N GLY A 5 17.573 2.198 2.602 1.00 0.00 N ATOM 91 CA GLY A 5 18.355 2.168 1.384 1.00 0.00 C ATOM 92 C GLY A 5 19.432 1.106 1.438 1.00 0.00 C ATOM 93 O GLY A 5 20.393 1.138 0.671 1.00 0.00 O ATOM 0 H GLY A 5 16.621 1.843 2.511 1.00 0.00 H new ATOM 0 HA2 GLY A 5 17.699 1.978 0.535 1.00 0.00 H new ATOM 0 HA3 GLY A 5 18.813 3.144 1.221 1.00 0.00 H new ATOM 97 N ASP A 6 19.266 0.168 2.354 1.00 0.00 N ATOM 98 CA ASP A 6 20.250 -0.894 2.566 1.00 0.00 C ATOM 99 C ASP A 6 19.772 -2.205 1.954 1.00 0.00 C ATOM 100 O ASP A 6 20.570 -2.987 1.436 1.00 0.00 O ATOM 101 CB ASP A 6 20.521 -1.070 4.062 1.00 0.00 C ATOM 102 CG ASP A 6 21.449 -2.228 4.359 1.00 0.00 C ATOM 103 OD1 ASP A 6 20.980 -3.238 4.925 1.00 0.00 O ATOM 104 OD2 ASP A 6 22.650 -2.141 4.031 1.00 0.00 O ATOM 0 H ASP A 6 18.455 0.115 2.970 1.00 0.00 H new ATOM 0 HA ASP A 6 21.178 -0.608 2.072 1.00 0.00 H new ATOM 0 HB2 ASP A 6 20.955 -0.152 4.458 1.00 0.00 H new ATOM 0 HB3 ASP A 6 19.576 -1.226 4.582 1.00 0.00 H new ATOM 109 N LEU A 7 18.461 -2.422 2.021 1.00 0.00 N ATOM 110 CA LEU A 7 17.803 -3.575 1.395 1.00 0.00 C ATOM 111 C LEU A 7 18.120 -4.886 2.107 1.00 0.00 C ATOM 112 O LEU A 7 19.238 -5.397 2.038 1.00 0.00 O ATOM 113 CB LEU A 7 18.147 -3.710 -0.099 1.00 0.00 C ATOM 114 CG LEU A 7 17.533 -2.661 -1.036 1.00 0.00 C ATOM 115 CD1 LEU A 7 18.282 -1.339 -0.956 1.00 0.00 C ATOM 116 CD2 LEU A 7 17.514 -3.179 -2.465 1.00 0.00 C ATOM 0 H LEU A 7 17.818 -1.802 2.513 1.00 0.00 H new ATOM 0 HA LEU A 7 16.735 -3.379 1.489 1.00 0.00 H new ATOM 0 HB2 LEU A 7 19.231 -3.671 -0.205 1.00 0.00 H new ATOM 0 HB3 LEU A 7 17.829 -4.697 -0.435 1.00 0.00 H new ATOM 0 HG LEU A 7 16.508 -2.480 -0.713 1.00 0.00 H new ATOM 0 HD11 LEU A 7 17.821 -0.618 -1.632 1.00 0.00 H new ATOM 0 HD12 LEU A 7 18.240 -0.958 0.064 1.00 0.00 H new ATOM 0 HD13 LEU A 7 19.322 -1.492 -1.243 1.00 0.00 H new ATOM 0 HD21 LEU A 7 17.076 -2.425 -3.119 1.00 0.00 H new ATOM 0 HD22 LEU A 7 18.533 -3.392 -2.788 1.00 0.00 H new ATOM 0 HD23 LEU A 7 16.919 -4.091 -2.513 1.00 0.00 H new ATOM 128 N LEU A 8 17.122 -5.425 2.791 1.00 0.00 N ATOM 129 CA LEU A 8 17.196 -6.772 3.332 1.00 0.00 C ATOM 130 C LEU A 8 16.250 -7.668 2.543 1.00 0.00 C ATOM 131 O LEU A 8 15.079 -7.818 2.892 1.00 0.00 O ATOM 132 CB LEU A 8 16.832 -6.792 4.820 1.00 0.00 C ATOM 133 CG LEU A 8 16.939 -8.162 5.497 1.00 0.00 C ATOM 134 CD1 LEU A 8 18.369 -8.677 5.447 1.00 0.00 C ATOM 135 CD2 LEU A 8 16.446 -8.085 6.934 1.00 0.00 C ATOM 0 H LEU A 8 16.244 -4.944 2.985 1.00 0.00 H new ATOM 0 HA LEU A 8 18.219 -7.138 3.241 1.00 0.00 H new ATOM 0 HB2 LEU A 8 17.481 -6.092 5.346 1.00 0.00 H new ATOM 0 HB3 LEU A 8 15.811 -6.427 4.933 1.00 0.00 H new ATOM 0 HG LEU A 8 16.307 -8.864 4.953 1.00 0.00 H new ATOM 0 HD11 LEU A 8 18.422 -9.651 5.933 1.00 0.00 H new ATOM 0 HD12 LEU A 8 18.685 -8.772 4.408 1.00 0.00 H new ATOM 0 HD13 LEU A 8 19.026 -7.977 5.964 1.00 0.00 H new ATOM 0 HD21 LEU A 8 16.529 -9.067 7.400 1.00 0.00 H new ATOM 0 HD22 LEU A 8 17.051 -7.368 7.488 1.00 0.00 H new ATOM 0 HD23 LEU A 8 15.404 -7.765 6.945 1.00 0.00 H new ATOM 147 N LYS A 9 16.756 -8.241 1.463 1.00 0.00 N ATOM 148 CA LYS A 9 15.915 -8.983 0.536 1.00 0.00 C ATOM 149 C LYS A 9 15.890 -10.471 0.870 1.00 0.00 C ATOM 150 O LYS A 9 15.435 -11.290 0.077 1.00 0.00 O ATOM 151 CB LYS A 9 16.381 -8.747 -0.903 1.00 0.00 C ATOM 152 CG LYS A 9 17.772 -9.277 -1.210 1.00 0.00 C ATOM 153 CD LYS A 9 18.292 -8.714 -2.523 1.00 0.00 C ATOM 154 CE LYS A 9 18.787 -7.281 -2.364 1.00 0.00 C ATOM 155 NZ LYS A 9 19.992 -7.201 -1.497 1.00 0.00 N ATOM 0 H LYS A 9 17.743 -8.207 1.206 1.00 0.00 H new ATOM 0 HA LYS A 9 14.894 -8.616 0.635 1.00 0.00 H new ATOM 0 HB2 LYS A 9 15.669 -9.215 -1.583 1.00 0.00 H new ATOM 0 HB3 LYS A 9 16.361 -7.676 -1.107 1.00 0.00 H new ATOM 0 HG2 LYS A 9 18.453 -9.011 -0.401 1.00 0.00 H new ATOM 0 HG3 LYS A 9 17.747 -10.366 -1.261 1.00 0.00 H new ATOM 0 HD2 LYS A 9 19.104 -9.341 -2.892 1.00 0.00 H new ATOM 0 HD3 LYS A 9 17.500 -8.745 -3.271 1.00 0.00 H new ATOM 0 HE2 LYS A 9 19.018 -6.866 -3.345 1.00 0.00 H new ATOM 0 HE3 LYS A 9 17.993 -6.668 -1.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 20.491 -6.306 -1.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 19.705 -7.242 -0.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 20.625 -7.999 -1.708 1.00 0.00 H new ATOM 169 N ASP A 10 16.357 -10.809 2.061 1.00 0.00 N ATOM 170 CA ASP A 10 16.335 -12.193 2.519 1.00 0.00 C ATOM 171 C ASP A 10 15.020 -12.502 3.228 1.00 0.00 C ATOM 172 O ASP A 10 14.529 -13.628 3.197 1.00 0.00 O ATOM 173 CB ASP A 10 17.510 -12.459 3.462 1.00 0.00 C ATOM 174 CG ASP A 10 17.571 -13.903 3.919 1.00 0.00 C ATOM 175 OD1 ASP A 10 17.000 -14.223 4.982 1.00 0.00 O ATOM 176 OD2 ASP A 10 18.195 -14.724 3.218 1.00 0.00 O ATOM 0 H ASP A 10 16.755 -10.148 2.728 1.00 0.00 H new ATOM 0 HA ASP A 10 16.424 -12.843 1.649 1.00 0.00 H new ATOM 0 HB2 ASP A 10 18.442 -12.201 2.959 1.00 0.00 H new ATOM 0 HB3 ASP A 10 17.427 -11.809 4.333 1.00 0.00 H new ATOM 181 N LYS A 11 14.438 -11.487 3.845 1.00 0.00 N ATOM 182 CA LYS A 11 13.232 -11.674 4.643 1.00 0.00 C ATOM 183 C LYS A 11 11.980 -11.660 3.768 1.00 0.00 C ATOM 184 O LYS A 11 10.936 -12.190 4.150 1.00 0.00 O ATOM 185 CB LYS A 11 13.149 -10.587 5.727 1.00 0.00 C ATOM 186 CG LYS A 11 12.937 -9.173 5.195 1.00 0.00 C ATOM 187 CD LYS A 11 11.455 -8.840 5.065 1.00 0.00 C ATOM 188 CE LYS A 11 11.231 -7.440 4.525 1.00 0.00 C ATOM 189 NZ LYS A 11 9.812 -7.019 4.677 1.00 0.00 N ATOM 0 H LYS A 11 14.778 -10.526 3.810 1.00 0.00 H new ATOM 0 HA LYS A 11 13.286 -12.651 5.123 1.00 0.00 H new ATOM 0 HB2 LYS A 11 12.332 -10.832 6.406 1.00 0.00 H new ATOM 0 HB3 LYS A 11 14.068 -10.606 6.313 1.00 0.00 H new ATOM 0 HG2 LYS A 11 13.414 -8.457 5.863 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.420 -9.073 4.223 1.00 0.00 H new ATOM 0 HD2 LYS A 11 10.978 -9.564 4.404 1.00 0.00 H new ATOM 0 HD3 LYS A 11 10.976 -8.933 6.040 1.00 0.00 H new ATOM 0 HE2 LYS A 11 11.878 -6.738 5.050 1.00 0.00 H new ATOM 0 HE3 LYS A 11 11.511 -7.405 3.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.682 -6.079 4.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.193 -7.704 4.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 9.568 -6.980 5.687 1.00 0.00 H new ATOM 203 N LEU A 12 12.099 -11.076 2.583 1.00 0.00 N ATOM 204 CA LEU A 12 10.952 -10.860 1.706 1.00 0.00 C ATOM 205 C LEU A 12 10.693 -12.069 0.806 1.00 0.00 C ATOM 206 O LEU A 12 10.409 -11.943 -0.386 1.00 0.00 O ATOM 207 CB LEU A 12 11.149 -9.567 0.897 1.00 0.00 C ATOM 208 CG LEU A 12 12.528 -9.345 0.259 1.00 0.00 C ATOM 209 CD1 LEU A 12 12.641 -10.047 -1.087 1.00 0.00 C ATOM 210 CD2 LEU A 12 12.797 -7.858 0.111 1.00 0.00 C ATOM 0 H LEU A 12 12.984 -10.741 2.203 1.00 0.00 H new ATOM 0 HA LEU A 12 10.060 -10.743 2.322 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.402 -9.547 0.104 1.00 0.00 H new ATOM 0 HB3 LEU A 12 10.940 -8.722 1.553 1.00 0.00 H new ATOM 0 HG LEU A 12 13.280 -9.780 0.918 1.00 0.00 H new ATOM 0 HD11 LEU A 12 13.630 -9.868 -1.509 1.00 0.00 H new ATOM 0 HD12 LEU A 12 12.493 -11.118 -0.952 1.00 0.00 H new ATOM 0 HD13 LEU A 12 11.881 -9.658 -1.765 1.00 0.00 H new ATOM 0 HD21 LEU A 12 13.777 -7.709 -0.342 1.00 0.00 H new ATOM 0 HD22 LEU A 12 12.032 -7.411 -0.524 1.00 0.00 H new ATOM 0 HD23 LEU A 12 12.776 -7.385 1.093 1.00 0.00 H new ATOM 222 N LYS A 13 10.733 -13.242 1.416 1.00 0.00 N ATOM 223 CA LYS A 13 10.546 -14.501 0.708 1.00 0.00 C ATOM 224 C LYS A 13 9.276 -15.184 1.190 1.00 0.00 C ATOM 225 O LYS A 13 9.097 -16.392 1.035 1.00 0.00 O ATOM 226 CB LYS A 13 11.749 -15.415 0.948 1.00 0.00 C ATOM 227 CG LYS A 13 13.016 -14.982 0.224 1.00 0.00 C ATOM 228 CD LYS A 13 14.258 -15.594 0.856 1.00 0.00 C ATOM 229 CE LYS A 13 14.115 -17.093 1.075 1.00 0.00 C ATOM 230 NZ LYS A 13 15.254 -17.650 1.852 1.00 0.00 N ATOM 0 H LYS A 13 10.896 -13.350 2.417 1.00 0.00 H new ATOM 0 HA LYS A 13 10.458 -14.298 -0.359 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.952 -15.457 2.018 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.491 -16.426 0.633 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.957 -15.278 -0.823 1.00 0.00 H new ATOM 0 HG3 LYS A 13 13.094 -13.895 0.245 1.00 0.00 H new ATOM 0 HD2 LYS A 13 15.120 -15.403 0.217 1.00 0.00 H new ATOM 0 HD3 LYS A 13 14.455 -15.107 1.811 1.00 0.00 H new ATOM 0 HE2 LYS A 13 13.182 -17.296 1.602 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.052 -17.597 0.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.120 -18.673 1.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 16.142 -17.479 1.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.299 -17.188 2.783 1.00 0.00 H new ATOM 244 N LEU A 14 8.389 -14.389 1.754 1.00 0.00 N ATOM 245 CA LEU A 14 7.183 -14.897 2.372 1.00 0.00 C ATOM 246 C LEU A 14 6.032 -14.967 1.373 1.00 0.00 C ATOM 247 O LEU A 14 6.021 -14.249 0.372 1.00 0.00 O ATOM 248 CB LEU A 14 6.799 -13.997 3.545 1.00 0.00 C ATOM 249 CG LEU A 14 7.829 -13.922 4.673 1.00 0.00 C ATOM 250 CD1 LEU A 14 7.401 -12.904 5.717 1.00 0.00 C ATOM 251 CD2 LEU A 14 8.027 -15.288 5.308 1.00 0.00 C ATOM 0 H LEU A 14 8.485 -13.374 1.796 1.00 0.00 H new ATOM 0 HA LEU A 14 7.378 -15.909 2.727 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.624 -12.990 3.167 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.855 -14.351 3.960 1.00 0.00 H new ATOM 0 HG LEU A 14 8.781 -13.601 4.249 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.145 -12.864 6.512 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.312 -11.922 5.253 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.438 -13.195 6.136 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.763 -15.214 6.108 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.080 -15.640 5.718 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.380 -15.992 4.554 1.00 0.00 H new ATOM 263 N PRO A 15 5.063 -15.860 1.628 1.00 0.00 N ATOM 264 CA PRO A 15 3.805 -15.923 0.870 1.00 0.00 C ATOM 265 C PRO A 15 2.899 -14.753 1.221 1.00 0.00 C ATOM 266 O PRO A 15 3.380 -13.678 1.581 1.00 0.00 O ATOM 267 CB PRO A 15 3.191 -17.245 1.338 1.00 0.00 C ATOM 268 CG PRO A 15 3.726 -17.440 2.706 1.00 0.00 C ATOM 269 CD PRO A 15 5.123 -16.892 2.680 1.00 0.00 C ATOM 0 HA PRO A 15 3.950 -15.870 -0.209 1.00 0.00 H new ATOM 0 HB2 PRO A 15 2.102 -17.198 1.341 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.473 -18.068 0.681 1.00 0.00 H new ATOM 0 HG2 PRO A 15 3.115 -16.919 3.443 1.00 0.00 H new ATOM 0 HG3 PRO A 15 3.725 -18.495 2.980 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.407 -16.468 3.643 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.854 -17.665 2.444 1.00 0.00 H new ATOM 277 N VAL A 16 1.594 -14.948 1.093 1.00 0.00 N ATOM 278 CA VAL A 16 0.639 -13.940 1.532 1.00 0.00 C ATOM 279 C VAL A 16 0.883 -13.578 2.992 1.00 0.00 C ATOM 280 O VAL A 16 0.659 -14.368 3.915 1.00 0.00 O ATOM 281 CB VAL A 16 -0.833 -14.365 1.311 1.00 0.00 C ATOM 282 CG1 VAL A 16 -1.107 -15.735 1.908 1.00 0.00 C ATOM 283 CG2 VAL A 16 -1.794 -13.319 1.877 1.00 0.00 C ATOM 0 H VAL A 16 1.175 -15.787 0.692 1.00 0.00 H new ATOM 0 HA VAL A 16 0.802 -13.059 0.911 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.002 -14.433 0.236 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.149 -16.005 1.736 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.458 -16.474 1.437 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.910 -15.711 2.980 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.822 -13.641 1.709 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.619 -13.206 2.947 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.627 -12.364 1.379 1.00 0.00 H new ATOM 293 N ILE A 17 1.400 -12.384 3.160 1.00 0.00 N ATOM 294 CA ILE A 17 1.755 -11.839 4.449 1.00 0.00 C ATOM 295 C ILE A 17 0.487 -11.408 5.181 1.00 0.00 C ATOM 296 O ILE A 17 -0.502 -11.035 4.541 1.00 0.00 O ATOM 297 CB ILE A 17 2.718 -10.639 4.254 1.00 0.00 C ATOM 298 CG1 ILE A 17 3.890 -11.043 3.350 1.00 0.00 C ATOM 299 CG2 ILE A 17 3.239 -10.135 5.582 1.00 0.00 C ATOM 300 CD1 ILE A 17 4.910 -9.944 3.110 1.00 0.00 C ATOM 0 H ILE A 17 1.590 -11.749 2.385 1.00 0.00 H new ATOM 0 HA ILE A 17 2.262 -12.594 5.049 1.00 0.00 H new ATOM 0 HB ILE A 17 2.160 -9.832 3.779 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.396 -11.900 3.794 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.494 -11.370 2.388 1.00 0.00 H new ATOM 0 HG21 ILE A 17 3.911 -9.294 5.413 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.403 -9.812 6.202 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.779 -10.935 6.088 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.702 -10.318 2.461 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.423 -9.093 2.634 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.339 -9.631 4.062 1.00 0.00 H new ATOM 312 N ASP A 18 0.505 -11.477 6.510 1.00 0.00 N ATOM 313 CA ASP A 18 -0.685 -11.186 7.306 1.00 0.00 C ATOM 314 C ASP A 18 -1.224 -9.795 6.998 1.00 0.00 C ATOM 315 O ASP A 18 -0.458 -8.845 6.818 1.00 0.00 O ATOM 316 CB ASP A 18 -0.396 -11.310 8.804 1.00 0.00 C ATOM 317 CG ASP A 18 -1.664 -11.230 9.631 1.00 0.00 C ATOM 318 OD1 ASP A 18 -1.961 -10.148 10.169 1.00 0.00 O ATOM 319 OD2 ASP A 18 -2.380 -12.249 9.731 1.00 0.00 O ATOM 0 H ASP A 18 1.328 -11.731 7.057 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.441 -11.923 7.036 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.106 -12.257 9.000 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.287 -10.518 9.109 1.00 0.00 H new ATOM 324 N ASN A 19 -2.546 -9.688 6.925 1.00 0.00 N ATOM 325 CA ASN A 19 -3.204 -8.429 6.573 1.00 0.00 C ATOM 326 C ASN A 19 -2.875 -7.310 7.567 1.00 0.00 C ATOM 327 O ASN A 19 -2.933 -6.135 7.218 1.00 0.00 O ATOM 328 CB ASN A 19 -4.730 -8.612 6.447 1.00 0.00 C ATOM 329 CG ASN A 19 -5.462 -8.819 7.769 1.00 0.00 C ATOM 330 OD1 ASN A 19 -4.859 -9.536 8.707 1.00 0.00 O flip ATOM 331 ND2 ASN A 19 -6.590 -8.358 7.932 1.00 0.00 N flip ATOM 0 H ASN A 19 -3.188 -10.460 7.105 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.812 -8.130 5.601 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.147 -7.736 5.951 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.927 -9.468 5.801 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -7.029 -7.810 7.192 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -7.087 -8.524 8.807 1.00 0.00 H new ATOM 338 N LEU A 20 -2.518 -7.669 8.795 1.00 0.00 N ATOM 339 CA LEU A 20 -2.129 -6.694 9.789 1.00 0.00 C ATOM 340 C LEU A 20 -0.776 -6.086 9.434 1.00 0.00 C ATOM 341 O LEU A 20 -0.574 -4.885 9.589 1.00 0.00 O ATOM 342 CB LEU A 20 -2.099 -7.374 11.159 1.00 0.00 C ATOM 343 CG LEU A 20 -1.677 -6.527 12.357 1.00 0.00 C ATOM 344 CD1 LEU A 20 -0.161 -6.453 12.471 1.00 0.00 C ATOM 345 CD2 LEU A 20 -2.300 -5.139 12.302 1.00 0.00 C ATOM 0 H LEU A 20 -2.492 -8.635 9.121 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.851 -5.878 9.817 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.095 -7.769 11.360 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.424 -8.228 11.096 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.051 -7.016 13.256 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.110 -5.843 13.333 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.244 -7.457 12.595 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.250 -6.005 11.566 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.979 -4.562 13.169 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.981 -4.633 11.391 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.386 -5.227 12.306 1.00 0.00 H new ATOM 357 N PHE A 21 0.139 -6.914 8.945 1.00 0.00 N ATOM 358 CA PHE A 21 1.468 -6.439 8.575 1.00 0.00 C ATOM 359 C PHE A 21 1.359 -5.412 7.460 1.00 0.00 C ATOM 360 O PHE A 21 1.996 -4.364 7.507 1.00 0.00 O ATOM 361 CB PHE A 21 2.363 -7.603 8.138 1.00 0.00 C ATOM 362 CG PHE A 21 3.781 -7.193 7.845 1.00 0.00 C ATOM 363 CD1 PHE A 21 4.207 -7.000 6.539 1.00 0.00 C ATOM 364 CD2 PHE A 21 4.687 -6.996 8.875 1.00 0.00 C ATOM 365 CE1 PHE A 21 5.507 -6.622 6.267 1.00 0.00 C ATOM 366 CE2 PHE A 21 5.988 -6.618 8.609 1.00 0.00 C ATOM 367 CZ PHE A 21 6.399 -6.430 7.303 1.00 0.00 C ATOM 0 H PHE A 21 -0.012 -7.912 8.796 1.00 0.00 H new ATOM 0 HA PHE A 21 1.923 -5.972 9.448 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.367 -8.362 8.921 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.936 -8.065 7.248 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.513 -7.147 5.725 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.372 -7.140 9.898 1.00 0.00 H new ATOM 0 HE1 PHE A 21 5.825 -6.477 5.245 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.684 -6.469 9.421 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.416 -6.133 7.093 1.00 0.00 H new ATOM 377 N GLY A 22 0.525 -5.704 6.473 1.00 0.00 N ATOM 378 CA GLY A 22 0.313 -4.768 5.389 1.00 0.00 C ATOM 379 C GLY A 22 -0.403 -3.522 5.866 1.00 0.00 C ATOM 380 O GLY A 22 -0.219 -2.436 5.317 1.00 0.00 O ATOM 0 H GLY A 22 -0.008 -6.571 6.403 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.273 -4.493 4.951 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.271 -5.246 4.602 1.00 0.00 H new ATOM 384 N LYS A 23 -1.226 -3.689 6.894 1.00 0.00 N ATOM 385 CA LYS A 23 -1.957 -2.581 7.483 1.00 0.00 C ATOM 386 C LYS A 23 -0.981 -1.677 8.214 1.00 0.00 C ATOM 387 O LYS A 23 -1.113 -0.462 8.196 1.00 0.00 O ATOM 388 CB LYS A 23 -3.023 -3.107 8.444 1.00 0.00 C ATOM 389 CG LYS A 23 -4.368 -2.394 8.336 1.00 0.00 C ATOM 390 CD LYS A 23 -4.962 -2.514 6.939 1.00 0.00 C ATOM 391 CE LYS A 23 -6.422 -2.077 6.895 1.00 0.00 C ATOM 392 NZ LYS A 23 -6.596 -0.616 7.098 1.00 0.00 N ATOM 0 H LYS A 23 -1.403 -4.590 7.338 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.457 -2.012 6.699 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.172 -4.170 8.257 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.655 -3.011 9.465 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.062 -2.815 9.063 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.242 -1.341 8.588 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.381 -1.906 6.246 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.883 -3.547 6.600 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.851 -2.358 5.933 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.980 -2.614 7.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.593 -0.411 7.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.001 -0.302 7.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.316 -0.110 6.234 1.00 0.00 H new ATOM 406 N GLU A 24 0.005 -2.302 8.845 1.00 0.00 N ATOM 407 CA GLU A 24 1.097 -1.601 9.474 1.00 0.00 C ATOM 408 C GLU A 24 1.850 -0.755 8.457 1.00 0.00 C ATOM 409 O GLU A 24 2.139 0.415 8.703 1.00 0.00 O ATOM 410 CB GLU A 24 2.014 -2.624 10.108 1.00 0.00 C ATOM 411 CG GLU A 24 1.499 -3.139 11.431 1.00 0.00 C ATOM 412 CD GLU A 24 1.388 -2.046 12.473 1.00 0.00 C ATOM 413 OE1 GLU A 24 0.257 -1.623 12.787 1.00 0.00 O ATOM 414 OE2 GLU A 24 2.437 -1.595 12.973 1.00 0.00 O ATOM 0 H GLU A 24 0.062 -3.317 8.931 1.00 0.00 H new ATOM 0 HA GLU A 24 0.714 -0.925 10.238 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.142 -3.462 9.423 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.998 -2.179 10.256 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.521 -3.597 11.283 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.165 -3.920 11.798 1.00 0.00 H new ATOM 421 N LEU A 25 2.174 -1.364 7.319 1.00 0.00 N ATOM 422 CA LEU A 25 2.723 -0.641 6.180 1.00 0.00 C ATOM 423 C LEU A 25 1.866 0.572 5.848 1.00 0.00 C ATOM 424 O LEU A 25 2.296 1.714 6.001 1.00 0.00 O ATOM 425 CB LEU A 25 2.756 -1.548 4.959 1.00 0.00 C ATOM 426 CG LEU A 25 3.997 -2.411 4.787 1.00 0.00 C ATOM 427 CD1 LEU A 25 4.311 -3.211 6.036 1.00 0.00 C ATOM 428 CD2 LEU A 25 3.794 -3.326 3.597 1.00 0.00 C ATOM 0 H LEU A 25 2.064 -2.366 7.163 1.00 0.00 H new ATOM 0 HA LEU A 25 3.730 -0.317 6.442 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.887 -2.205 4.998 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.646 -0.927 4.070 1.00 0.00 H new ATOM 0 HG LEU A 25 4.854 -1.760 4.613 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.204 -3.812 5.868 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.483 -2.531 6.870 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.471 -3.866 6.269 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.677 -3.950 3.463 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.924 -3.960 3.770 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.634 -2.727 2.701 1.00 0.00 H new ATOM 440 N LEU A 26 0.652 0.298 5.386 1.00 0.00 N ATOM 441 CA LEU A 26 -0.306 1.317 5.031 1.00 0.00 C ATOM 442 C LEU A 26 -0.492 2.364 6.130 1.00 0.00 C ATOM 443 O LEU A 26 -0.796 3.510 5.839 1.00 0.00 O ATOM 444 CB LEU A 26 -1.637 0.642 4.707 1.00 0.00 C ATOM 445 CG LEU A 26 -1.713 0.011 3.316 1.00 0.00 C ATOM 446 CD1 LEU A 26 -2.854 -0.989 3.229 1.00 0.00 C ATOM 447 CD2 LEU A 26 -1.850 1.077 2.279 1.00 0.00 C ATOM 0 H LEU A 26 0.309 -0.653 5.249 1.00 0.00 H new ATOM 0 HA LEU A 26 0.075 1.853 4.161 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.828 -0.130 5.452 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.435 1.379 4.801 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.788 -0.535 3.132 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.883 -1.421 2.229 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.701 -1.781 3.962 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.798 -0.483 3.433 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.903 0.619 1.291 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.759 1.649 2.463 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.987 1.742 2.324 1.00 0.00 H new ATOM 459 N ASP A 27 -0.320 1.972 7.385 1.00 0.00 N ATOM 460 CA ASP A 27 -0.461 2.905 8.501 1.00 0.00 C ATOM 461 C ASP A 27 0.742 3.842 8.577 1.00 0.00 C ATOM 462 O ASP A 27 0.582 5.052 8.726 1.00 0.00 O ATOM 463 CB ASP A 27 -0.620 2.148 9.823 1.00 0.00 C ATOM 464 CG ASP A 27 -1.093 3.038 10.956 1.00 0.00 C ATOM 465 OD1 ASP A 27 -2.323 3.189 11.124 1.00 0.00 O ATOM 466 OD2 ASP A 27 -0.246 3.576 11.698 1.00 0.00 O ATOM 0 H ASP A 27 -0.083 1.018 7.658 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.357 3.501 8.330 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.331 1.333 9.686 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.334 1.697 10.095 1.00 0.00 H new ATOM 471 N LYS A 28 1.945 3.281 8.456 1.00 0.00 N ATOM 472 CA LYS A 28 3.169 4.083 8.472 1.00 0.00 C ATOM 473 C LYS A 28 3.226 4.990 7.249 1.00 0.00 C ATOM 474 O LYS A 28 3.510 6.183 7.351 1.00 0.00 O ATOM 475 CB LYS A 28 4.419 3.196 8.475 1.00 0.00 C ATOM 476 CG LYS A 28 4.514 2.223 9.636 1.00 0.00 C ATOM 477 CD LYS A 28 5.818 1.441 9.581 1.00 0.00 C ATOM 478 CE LYS A 28 5.816 0.263 10.537 1.00 0.00 C ATOM 479 NZ LYS A 28 5.650 0.678 11.955 1.00 0.00 N ATOM 0 H LYS A 28 2.098 2.279 8.346 1.00 0.00 H new ATOM 0 HA LYS A 28 3.150 4.680 9.384 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.447 2.630 7.544 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.301 3.837 8.485 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.451 2.767 10.578 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.670 1.534 9.609 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.983 1.083 8.565 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.649 2.104 9.824 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.011 -0.419 10.265 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.750 -0.288 10.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.706 -0.158 12.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.403 1.348 12.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.724 1.135 12.077 1.00 0.00 H new ATOM 493 N PHE A 29 2.943 4.409 6.092 1.00 0.00 N ATOM 494 CA PHE A 29 3.060 5.115 4.826 1.00 0.00 C ATOM 495 C PHE A 29 1.744 5.779 4.455 1.00 0.00 C ATOM 496 O PHE A 29 1.557 6.224 3.327 1.00 0.00 O ATOM 497 CB PHE A 29 3.479 4.144 3.720 1.00 0.00 C ATOM 498 CG PHE A 29 4.644 3.279 4.101 1.00 0.00 C ATOM 499 CD1 PHE A 29 4.548 1.901 4.035 1.00 0.00 C ATOM 500 CD2 PHE A 29 5.826 3.842 4.538 1.00 0.00 C ATOM 501 CE1 PHE A 29 5.613 1.098 4.393 1.00 0.00 C ATOM 502 CE2 PHE A 29 6.896 3.047 4.899 1.00 0.00 C ATOM 503 CZ PHE A 29 6.790 1.673 4.826 1.00 0.00 C ATOM 0 H PHE A 29 2.628 3.443 6.005 1.00 0.00 H new ATOM 0 HA PHE A 29 3.821 5.888 4.935 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.632 3.508 3.464 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.734 4.711 2.825 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.628 1.447 3.699 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.915 4.917 4.598 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.525 0.023 4.334 1.00 0.00 H new ATOM 0 HE2 PHE A 29 7.816 3.500 5.238 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.626 1.050 5.107 1.00 0.00 H new ATOM 513 N GLN A 30 0.839 5.847 5.418 1.00 0.00 N ATOM 514 CA GLN A 30 -0.455 6.441 5.223 1.00 0.00 C ATOM 515 C GLN A 30 -0.339 7.866 4.723 1.00 0.00 C ATOM 516 O GLN A 30 -0.931 8.221 3.714 1.00 0.00 O ATOM 517 CB GLN A 30 -1.213 6.396 6.536 1.00 0.00 C ATOM 518 CG GLN A 30 -2.580 6.976 6.447 1.00 0.00 C ATOM 519 CD GLN A 30 -3.311 6.978 7.776 1.00 0.00 C ATOM 520 OE1 GLN A 30 -4.150 7.839 8.031 1.00 0.00 O ATOM 521 NE2 GLN A 30 -2.992 6.019 8.633 1.00 0.00 N ATOM 0 H GLN A 30 0.992 5.487 6.360 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.996 5.877 4.463 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.286 5.361 6.870 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.645 6.936 7.294 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -2.511 7.998 6.075 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -3.162 6.410 5.719 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.290 5.323 8.382 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.449 5.976 9.544 1.00 0.00 H new ATOM 530 N ASP A 31 0.449 8.672 5.411 1.00 0.00 N ATOM 531 CA ASP A 31 0.634 10.062 5.028 1.00 0.00 C ATOM 532 C ASP A 31 1.644 10.196 3.897 1.00 0.00 C ATOM 533 O ASP A 31 2.095 11.295 3.590 1.00 0.00 O ATOM 534 CB ASP A 31 1.070 10.889 6.227 1.00 0.00 C ATOM 535 CG ASP A 31 -0.076 11.179 7.172 1.00 0.00 C ATOM 536 OD1 ASP A 31 -0.501 10.260 7.895 1.00 0.00 O ATOM 537 OD2 ASP A 31 -0.562 12.331 7.183 1.00 0.00 O ATOM 0 H ASP A 31 0.972 8.388 6.239 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.323 10.439 4.668 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.856 10.359 6.765 1.00 0.00 H new ATOM 0 HB3 ASP A 31 1.499 11.829 5.880 1.00 0.00 H new ATOM 542 N ASP A 32 2.007 9.074 3.298 1.00 0.00 N ATOM 543 CA ASP A 32 2.781 9.076 2.062 1.00 0.00 C ATOM 544 C ASP A 32 1.835 8.764 0.917 1.00 0.00 C ATOM 545 O ASP A 32 1.846 9.413 -0.126 1.00 0.00 O ATOM 546 CB ASP A 32 3.903 8.041 2.112 1.00 0.00 C ATOM 547 CG ASP A 32 4.925 8.231 1.006 1.00 0.00 C ATOM 548 OD1 ASP A 32 5.709 9.198 1.096 1.00 0.00 O ATOM 549 OD2 ASP A 32 4.967 7.409 0.064 1.00 0.00 O ATOM 0 H ASP A 32 1.778 8.144 3.648 1.00 0.00 H new ATOM 0 HA ASP A 32 3.244 10.053 1.923 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.404 8.101 3.078 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.474 7.042 2.037 1.00 0.00 H new ATOM 554 N ILE A 33 0.987 7.775 1.157 1.00 0.00 N ATOM 555 CA ILE A 33 -0.074 7.399 0.237 1.00 0.00 C ATOM 556 C ILE A 33 -1.120 8.506 0.139 1.00 0.00 C ATOM 557 O ILE A 33 -1.647 8.800 -0.935 1.00 0.00 O ATOM 558 CB ILE A 33 -0.731 6.081 0.708 1.00 0.00 C ATOM 559 CG1 ILE A 33 0.261 4.927 0.546 1.00 0.00 C ATOM 560 CG2 ILE A 33 -2.009 5.806 -0.071 1.00 0.00 C ATOM 561 CD1 ILE A 33 0.009 3.755 1.472 1.00 0.00 C ATOM 0 H ILE A 33 1.017 7.206 2.003 1.00 0.00 H new ATOM 0 HA ILE A 33 0.357 7.250 -0.753 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.997 6.175 1.761 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.226 4.575 -0.485 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.269 5.303 0.720 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.454 4.874 0.277 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.713 6.624 0.084 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.777 5.723 -1.133 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.756 2.982 1.292 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.074 4.089 2.508 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.985 3.350 1.284 1.00 0.00 H new ATOM 573 N LYS A 34 -1.395 9.127 1.267 1.00 0.00 N ATOM 574 CA LYS A 34 -2.369 10.197 1.351 1.00 0.00 C ATOM 575 C LYS A 34 -1.729 11.510 0.938 1.00 0.00 C ATOM 576 O LYS A 34 -2.405 12.447 0.523 1.00 0.00 O ATOM 577 CB LYS A 34 -2.909 10.244 2.771 1.00 0.00 C ATOM 578 CG LYS A 34 -4.000 11.271 3.006 1.00 0.00 C ATOM 579 CD LYS A 34 -5.063 10.744 3.965 1.00 0.00 C ATOM 580 CE LYS A 34 -4.468 10.287 5.292 1.00 0.00 C ATOM 581 NZ LYS A 34 -5.512 9.793 6.235 1.00 0.00 N ATOM 0 H LYS A 34 -0.948 8.903 2.156 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.201 10.019 0.670 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.296 9.258 3.030 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.083 10.451 3.452 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.562 12.183 3.411 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.464 11.535 2.056 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.802 11.524 4.150 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.589 9.911 3.499 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.741 9.495 5.109 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.928 11.115 5.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.071 9.180 6.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.967 10.602 6.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.227 9.252 5.709 1.00 0.00 H new ATOM 595 N ASP A 35 -0.417 11.557 1.046 1.00 0.00 N ATOM 596 CA ASP A 35 0.357 12.666 0.506 1.00 0.00 C ATOM 597 C ASP A 35 0.315 12.647 -1.015 1.00 0.00 C ATOM 598 O ASP A 35 -0.072 13.623 -1.655 1.00 0.00 O ATOM 599 CB ASP A 35 1.806 12.582 0.972 1.00 0.00 C ATOM 600 CG ASP A 35 2.704 13.609 0.310 1.00 0.00 C ATOM 601 OD1 ASP A 35 3.367 13.269 -0.693 1.00 0.00 O ATOM 602 OD2 ASP A 35 2.771 14.754 0.802 1.00 0.00 O ATOM 0 H ASP A 35 0.142 10.838 1.505 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.082 13.596 0.868 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.842 12.719 2.053 1.00 0.00 H new ATOM 0 HB3 ASP A 35 2.191 11.584 0.764 1.00 0.00 H new ATOM 607 N LYS A 36 0.711 11.512 -1.576 1.00 0.00 N ATOM 608 CA LYS A 36 0.790 11.343 -3.018 1.00 0.00 C ATOM 609 C LYS A 36 -0.583 11.312 -3.675 1.00 0.00 C ATOM 610 O LYS A 36 -0.835 12.030 -4.638 1.00 0.00 O ATOM 611 CB LYS A 36 1.531 10.059 -3.353 1.00 0.00 C ATOM 612 CG LYS A 36 3.013 10.129 -3.072 1.00 0.00 C ATOM 613 CD LYS A 36 3.647 8.783 -3.243 1.00 0.00 C ATOM 614 CE LYS A 36 5.158 8.880 -3.263 1.00 0.00 C ATOM 615 NZ LYS A 36 5.646 9.621 -4.457 1.00 0.00 N ATOM 0 H LYS A 36 0.985 10.686 -1.045 1.00 0.00 H new ATOM 0 HA LYS A 36 1.330 12.205 -3.409 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.099 9.239 -2.780 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.380 9.826 -4.407 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.483 10.846 -3.745 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.179 10.489 -2.057 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.334 8.126 -2.431 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.298 8.331 -4.171 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.503 9.381 -2.358 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.587 7.878 -3.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.553 9.219 -4.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.949 9.540 -5.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.777 10.624 -4.214 1.00 0.00 H new ATOM 629 N TYR A 37 -1.468 10.475 -3.151 1.00 0.00 N ATOM 630 CA TYR A 37 -2.716 10.169 -3.840 1.00 0.00 C ATOM 631 C TYR A 37 -3.945 10.620 -3.056 1.00 0.00 C ATOM 632 O TYR A 37 -5.068 10.535 -3.554 1.00 0.00 O ATOM 633 CB TYR A 37 -2.789 8.665 -4.097 1.00 0.00 C ATOM 634 CG TYR A 37 -1.577 8.112 -4.806 1.00 0.00 C ATOM 635 CD1 TYR A 37 -1.150 8.642 -6.013 1.00 0.00 C ATOM 636 CD2 TYR A 37 -0.860 7.059 -4.260 1.00 0.00 C ATOM 637 CE1 TYR A 37 -0.041 8.138 -6.659 1.00 0.00 C ATOM 638 CE2 TYR A 37 0.250 6.545 -4.897 1.00 0.00 C ATOM 639 CZ TYR A 37 0.657 7.091 -6.101 1.00 0.00 C ATOM 640 OH TYR A 37 1.766 6.599 -6.748 1.00 0.00 O ATOM 0 H TYR A 37 -1.347 9.998 -2.257 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.719 10.720 -4.781 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -2.910 8.148 -3.145 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -3.677 8.449 -4.692 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.695 9.463 -6.455 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.176 6.633 -3.319 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.279 8.563 -7.599 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.797 5.723 -4.459 1.00 0.00 H new ATOM 0 HH TYR A 37 1.488 6.130 -7.562 1.00 0.00 H new ATOM 650 N GLY A 38 -3.739 11.092 -1.835 1.00 0.00 N ATOM 651 CA GLY A 38 -4.857 11.522 -1.010 1.00 0.00 C ATOM 652 C GLY A 38 -5.743 10.367 -0.586 1.00 0.00 C ATOM 653 O GLY A 38 -6.945 10.536 -0.375 1.00 0.00 O ATOM 0 H GLY A 38 -2.822 11.186 -1.399 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.476 12.028 -0.123 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.453 12.249 -1.561 1.00 0.00 H new ATOM 657 N VAL A 39 -5.149 9.190 -0.462 1.00 0.00 N ATOM 658 CA VAL A 39 -5.889 7.990 -0.115 1.00 0.00 C ATOM 659 C VAL A 39 -5.771 7.702 1.371 1.00 0.00 C ATOM 660 O VAL A 39 -4.743 7.978 1.984 1.00 0.00 O ATOM 661 CB VAL A 39 -5.349 6.777 -0.881 1.00 0.00 C ATOM 662 CG1 VAL A 39 -6.208 5.548 -0.648 1.00 0.00 C ATOM 663 CG2 VAL A 39 -5.242 7.080 -2.365 1.00 0.00 C ATOM 0 H VAL A 39 -4.149 9.042 -0.598 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.932 8.161 -0.381 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.350 6.564 -0.499 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.797 4.706 -1.205 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.219 5.308 0.415 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.225 5.746 -0.986 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.857 6.205 -2.888 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.227 7.332 -2.757 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.565 7.921 -2.517 1.00 0.00 H new ATOM 673 N ASP A 40 -6.811 7.130 1.940 1.00 0.00 N ATOM 674 CA ASP A 40 -6.786 6.740 3.335 1.00 0.00 C ATOM 675 C ASP A 40 -6.591 5.238 3.439 1.00 0.00 C ATOM 676 O ASP A 40 -7.322 4.465 2.818 1.00 0.00 O ATOM 677 CB ASP A 40 -8.069 7.149 4.042 1.00 0.00 C ATOM 678 CG ASP A 40 -7.992 6.891 5.526 1.00 0.00 C ATOM 679 OD1 ASP A 40 -7.450 7.755 6.246 1.00 0.00 O ATOM 680 OD2 ASP A 40 -8.466 5.828 5.973 1.00 0.00 O ATOM 0 H ASP A 40 -7.686 6.924 1.458 1.00 0.00 H new ATOM 0 HA ASP A 40 -5.956 7.252 3.822 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -8.261 8.207 3.866 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -8.909 6.598 3.620 1.00 0.00 H new ATOM 685 N THR A 41 -5.607 4.825 4.215 1.00 0.00 N ATOM 686 CA THR A 41 -5.238 3.426 4.284 1.00 0.00 C ATOM 687 C THR A 41 -6.045 2.678 5.337 1.00 0.00 C ATOM 688 O THR A 41 -6.147 1.448 5.300 1.00 0.00 O ATOM 689 CB THR A 41 -3.749 3.274 4.590 1.00 0.00 C ATOM 690 OG1 THR A 41 -3.446 3.894 5.845 1.00 0.00 O ATOM 691 CG2 THR A 41 -2.908 3.910 3.496 1.00 0.00 C ATOM 0 H THR A 41 -5.049 5.440 4.807 1.00 0.00 H new ATOM 0 HA THR A 41 -5.458 2.992 3.308 1.00 0.00 H new ATOM 0 HB THR A 41 -3.515 2.211 4.639 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.474 3.928 5.967 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.851 3.790 3.734 1.00 0.00 H new ATOM 0 HG22 THR A 41 -3.123 3.425 2.544 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.146 4.971 3.425 1.00 0.00 H new ATOM 699 N LYS A 42 -6.613 3.423 6.272 1.00 0.00 N ATOM 700 CA LYS A 42 -7.451 2.853 7.300 1.00 0.00 C ATOM 701 C LYS A 42 -8.734 2.335 6.661 1.00 0.00 C ATOM 702 O LYS A 42 -9.230 1.260 6.999 1.00 0.00 O ATOM 703 CB LYS A 42 -7.755 3.926 8.344 1.00 0.00 C ATOM 704 CG LYS A 42 -8.458 3.406 9.574 1.00 0.00 C ATOM 705 CD LYS A 42 -8.806 4.538 10.527 1.00 0.00 C ATOM 706 CE LYS A 42 -9.449 4.023 11.804 1.00 0.00 C ATOM 707 NZ LYS A 42 -8.490 3.257 12.641 1.00 0.00 N ATOM 0 H LYS A 42 -6.503 4.435 6.335 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.946 2.022 7.792 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.821 4.400 8.645 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.371 4.699 7.886 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.367 2.880 9.282 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.821 2.682 10.082 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.903 5.096 10.774 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.485 5.233 10.033 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -9.840 4.864 12.378 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.298 3.387 11.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.914 3.070 13.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.266 2.355 12.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.617 3.810 12.763 1.00 0.00 H new ATOM 721 N ASP A 43 -9.230 3.116 5.706 1.00 0.00 N ATOM 722 CA ASP A 43 -10.418 2.778 4.922 1.00 0.00 C ATOM 723 C ASP A 43 -10.226 1.483 4.124 1.00 0.00 C ATOM 724 O ASP A 43 -11.184 0.757 3.864 1.00 0.00 O ATOM 725 CB ASP A 43 -10.727 3.945 3.971 1.00 0.00 C ATOM 726 CG ASP A 43 -11.880 3.673 3.025 1.00 0.00 C ATOM 727 OD1 ASP A 43 -13.025 4.056 3.347 1.00 0.00 O ATOM 728 OD2 ASP A 43 -11.643 3.106 1.940 1.00 0.00 O ATOM 0 H ASP A 43 -8.815 4.012 5.450 1.00 0.00 H new ATOM 0 HA ASP A 43 -11.251 2.613 5.605 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -10.955 4.832 4.562 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -9.835 4.171 3.387 1.00 0.00 H new ATOM 733 N LEU A 44 -8.983 1.192 3.754 1.00 0.00 N ATOM 734 CA LEU A 44 -8.673 0.048 2.901 1.00 0.00 C ATOM 735 C LEU A 44 -8.890 -1.282 3.619 1.00 0.00 C ATOM 736 O LEU A 44 -8.727 -1.379 4.837 1.00 0.00 O ATOM 737 CB LEU A 44 -7.217 0.118 2.446 1.00 0.00 C ATOM 738 CG LEU A 44 -6.791 1.420 1.772 1.00 0.00 C ATOM 739 CD1 LEU A 44 -5.320 1.351 1.409 1.00 0.00 C ATOM 740 CD2 LEU A 44 -7.639 1.695 0.536 1.00 0.00 C ATOM 0 H LEU A 44 -8.167 1.737 4.034 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.349 0.095 2.047 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.577 -0.046 3.313 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.033 -0.704 1.754 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.945 2.243 2.470 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.020 2.282 0.928 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.729 1.202 2.313 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.153 0.519 0.725 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.316 2.628 0.074 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.521 0.878 -0.175 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.687 1.777 0.825 1.00 0.00 H new ATOM 752 N LYS A 45 -9.242 -2.304 2.848 1.00 0.00 N ATOM 753 CA LYS A 45 -9.325 -3.666 3.359 1.00 0.00 C ATOM 754 C LYS A 45 -8.274 -4.529 2.674 1.00 0.00 C ATOM 755 O LYS A 45 -8.283 -4.662 1.453 1.00 0.00 O ATOM 756 CB LYS A 45 -10.706 -4.267 3.104 1.00 0.00 C ATOM 757 CG LYS A 45 -10.852 -5.669 3.674 1.00 0.00 C ATOM 758 CD LYS A 45 -12.095 -6.366 3.156 1.00 0.00 C ATOM 759 CE LYS A 45 -12.229 -7.756 3.754 1.00 0.00 C ATOM 760 NZ LYS A 45 -13.358 -8.514 3.163 1.00 0.00 N ATOM 0 H LYS A 45 -9.476 -2.213 1.859 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.151 -3.638 4.435 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -11.466 -3.620 3.543 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.893 -4.295 2.030 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.972 -6.258 3.417 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -10.893 -5.616 4.762 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -12.977 -5.774 3.401 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -12.050 -6.437 2.069 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -11.302 -8.308 3.598 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.373 -7.674 4.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -13.411 -9.456 3.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -14.247 -8.002 3.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -13.209 -8.616 2.139 1.00 0.00 H new ATOM 774 N ILE A 46 -7.379 -5.123 3.450 1.00 0.00 N ATOM 775 CA ILE A 46 -6.292 -5.901 2.874 1.00 0.00 C ATOM 776 C ILE A 46 -6.718 -7.328 2.573 1.00 0.00 C ATOM 777 O ILE A 46 -7.326 -8.007 3.402 1.00 0.00 O ATOM 778 CB ILE A 46 -5.050 -5.902 3.779 1.00 0.00 C ATOM 779 CG1 ILE A 46 -4.561 -4.468 3.963 1.00 0.00 C ATOM 780 CG2 ILE A 46 -3.950 -6.777 3.187 1.00 0.00 C ATOM 781 CD1 ILE A 46 -3.252 -4.367 4.694 1.00 0.00 C ATOM 0 H ILE A 46 -7.383 -5.082 4.469 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.030 -5.416 1.933 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.315 -6.318 4.751 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.458 -4.000 2.984 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.317 -3.903 4.508 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.081 -6.763 3.844 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.313 -7.800 3.087 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.669 -6.394 2.206 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.967 -3.319 4.787 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.355 -4.805 5.687 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.483 -4.904 4.139 1.00 0.00 H new ATOM 793 N LEU A 47 -6.387 -7.759 1.369 1.00 0.00 N ATOM 794 CA LEU A 47 -6.741 -9.077 0.880 1.00 0.00 C ATOM 795 C LEU A 47 -5.533 -9.999 0.967 1.00 0.00 C ATOM 796 O LEU A 47 -5.594 -11.084 1.543 1.00 0.00 O ATOM 797 CB LEU A 47 -7.191 -8.973 -0.578 1.00 0.00 C ATOM 798 CG LEU A 47 -7.957 -7.698 -0.931 1.00 0.00 C ATOM 799 CD1 LEU A 47 -8.305 -7.670 -2.411 1.00 0.00 C ATOM 800 CD2 LEU A 47 -9.218 -7.578 -0.088 1.00 0.00 C ATOM 0 H LEU A 47 -5.861 -7.199 0.699 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.550 -9.481 1.488 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.312 -9.039 -1.219 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.820 -9.832 -0.810 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.313 -6.846 -0.713 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -8.850 -6.754 -2.639 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.389 -7.704 -3.001 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.926 -8.532 -2.655 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -9.748 -6.664 -0.355 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -9.862 -8.438 -0.272 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.948 -7.546 0.968 1.00 0.00 H new ATOM 812 N LYS A 48 -4.425 -9.534 0.405 1.00 0.00 N ATOM 813 CA LYS A 48 -3.208 -10.314 0.317 1.00 0.00 C ATOM 814 C LYS A 48 -1.996 -9.404 0.433 1.00 0.00 C ATOM 815 O LYS A 48 -1.769 -8.558 -0.428 1.00 0.00 O ATOM 816 CB LYS A 48 -3.147 -11.050 -1.024 1.00 0.00 C ATOM 817 CG LYS A 48 -1.933 -11.955 -1.151 1.00 0.00 C ATOM 818 CD LYS A 48 -1.775 -12.525 -2.549 1.00 0.00 C ATOM 819 CE LYS A 48 -2.956 -13.394 -2.944 1.00 0.00 C ATOM 820 NZ LYS A 48 -2.665 -14.202 -4.156 1.00 0.00 N ATOM 0 H LYS A 48 -4.350 -8.602 -0.002 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.205 -11.038 1.132 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.052 -11.646 -1.146 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.135 -10.319 -1.833 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.037 -11.394 -0.888 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.018 -12.773 -0.436 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.670 -11.709 -3.264 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.859 -13.113 -2.600 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.212 -14.057 -2.118 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.826 -12.763 -3.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.495 -14.782 -4.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.446 -13.569 -4.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.851 -14.822 -3.972 1.00 0.00 H new ATOM 834 N THR A 49 -1.222 -9.570 1.485 1.00 0.00 N ATOM 835 CA THR A 49 0.001 -8.808 1.629 1.00 0.00 C ATOM 836 C THR A 49 1.153 -9.593 1.019 1.00 0.00 C ATOM 837 O THR A 49 1.208 -10.810 1.146 1.00 0.00 O ATOM 838 CB THR A 49 0.318 -8.511 3.106 1.00 0.00 C ATOM 839 OG1 THR A 49 -0.881 -8.145 3.801 1.00 0.00 O ATOM 840 CG2 THR A 49 1.335 -7.384 3.226 1.00 0.00 C ATOM 0 H THR A 49 -1.415 -10.220 2.247 1.00 0.00 H new ATOM 0 HA THR A 49 -0.132 -7.856 1.115 1.00 0.00 H new ATOM 0 HB THR A 49 0.739 -9.413 3.551 1.00 0.00 H new ATOM 0 HG1 THR A 49 -0.783 -8.353 4.754 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.543 -7.192 4.279 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.257 -7.671 2.720 1.00 0.00 H new ATOM 0 HG23 THR A 49 0.934 -6.481 2.765 1.00 0.00 H new ATOM 848 N SER A 50 2.034 -8.915 0.318 1.00 0.00 N ATOM 849 CA SER A 50 3.237 -9.537 -0.206 1.00 0.00 C ATOM 850 C SER A 50 4.279 -8.465 -0.456 1.00 0.00 C ATOM 851 O SER A 50 4.056 -7.294 -0.138 1.00 0.00 O ATOM 852 CB SER A 50 2.943 -10.298 -1.507 1.00 0.00 C ATOM 853 OG SER A 50 1.994 -11.331 -1.300 1.00 0.00 O ATOM 0 H SER A 50 1.941 -7.924 0.094 1.00 0.00 H new ATOM 0 HA SER A 50 3.610 -10.255 0.525 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.569 -9.604 -2.260 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.867 -10.724 -1.898 1.00 0.00 H new ATOM 0 HG SER A 50 1.877 -11.480 -0.338 1.00 0.00 H new ATOM 859 N GLU A 51 5.411 -8.849 -1.025 1.00 0.00 N ATOM 860 CA GLU A 51 6.460 -7.892 -1.301 1.00 0.00 C ATOM 861 C GLU A 51 7.481 -8.436 -2.290 1.00 0.00 C ATOM 862 O GLU A 51 7.699 -9.645 -2.385 1.00 0.00 O ATOM 863 CB GLU A 51 7.146 -7.471 0.000 1.00 0.00 C ATOM 864 CG GLU A 51 7.678 -8.622 0.837 1.00 0.00 C ATOM 865 CD GLU A 51 8.416 -8.125 2.060 1.00 0.00 C ATOM 866 OE1 GLU A 51 8.070 -8.527 3.190 1.00 0.00 O ATOM 867 OE2 GLU A 51 9.346 -7.311 1.894 1.00 0.00 O ATOM 0 H GLU A 51 5.622 -9.808 -1.301 1.00 0.00 H new ATOM 0 HA GLU A 51 5.997 -7.019 -1.761 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.972 -6.802 -0.241 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.438 -6.900 0.600 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.851 -9.262 1.145 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.346 -9.235 0.232 1.00 0.00 H new ATOM 874 N ASP A 52 8.074 -7.519 -3.035 1.00 0.00 N ATOM 875 CA ASP A 52 9.162 -7.823 -3.951 1.00 0.00 C ATOM 876 C ASP A 52 10.470 -7.447 -3.252 1.00 0.00 C ATOM 877 O ASP A 52 10.494 -7.346 -2.027 1.00 0.00 O ATOM 878 CB ASP A 52 8.961 -7.027 -5.253 1.00 0.00 C ATOM 879 CG ASP A 52 9.965 -7.357 -6.340 1.00 0.00 C ATOM 880 OD1 ASP A 52 10.904 -6.561 -6.533 1.00 0.00 O ATOM 881 OD2 ASP A 52 9.829 -8.415 -6.992 1.00 0.00 O ATOM 0 H ASP A 52 7.812 -6.533 -3.022 1.00 0.00 H new ATOM 0 HA ASP A 52 9.188 -8.881 -4.213 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.956 -7.217 -5.631 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.021 -5.962 -5.028 1.00 0.00 H new ATOM 886 N LYS A 53 11.542 -7.226 -3.994 1.00 0.00 N ATOM 887 CA LYS A 53 12.801 -6.828 -3.388 1.00 0.00 C ATOM 888 C LYS A 53 12.691 -5.378 -2.927 1.00 0.00 C ATOM 889 O LYS A 53 12.561 -5.094 -1.739 1.00 0.00 O ATOM 890 CB LYS A 53 13.981 -6.989 -4.365 1.00 0.00 C ATOM 891 CG LYS A 53 14.079 -8.368 -5.008 1.00 0.00 C ATOM 892 CD LYS A 53 13.161 -8.474 -6.215 1.00 0.00 C ATOM 893 CE LYS A 53 12.963 -9.906 -6.671 1.00 0.00 C ATOM 894 NZ LYS A 53 11.928 -9.996 -7.736 1.00 0.00 N ATOM 0 H LYS A 53 11.566 -7.315 -5.010 1.00 0.00 H new ATOM 0 HA LYS A 53 12.997 -7.479 -2.536 1.00 0.00 H new ATOM 0 HB2 LYS A 53 13.891 -6.240 -5.152 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.909 -6.782 -3.832 1.00 0.00 H new ATOM 0 HG2 LYS A 53 15.108 -8.559 -5.312 1.00 0.00 H new ATOM 0 HG3 LYS A 53 13.815 -9.133 -4.278 1.00 0.00 H new ATOM 0 HD2 LYS A 53 12.193 -8.037 -5.970 1.00 0.00 H new ATOM 0 HD3 LYS A 53 13.576 -7.889 -7.036 1.00 0.00 H new ATOM 0 HE2 LYS A 53 13.907 -10.305 -7.043 1.00 0.00 H new ATOM 0 HE3 LYS A 53 12.669 -10.523 -5.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.779 -10.993 -7.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.036 -9.590 -7.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.245 -9.468 -8.574 1.00 0.00 H new ATOM 908 N ARG A 54 12.650 -4.471 -3.887 1.00 0.00 N ATOM 909 CA ARG A 54 12.648 -3.040 -3.599 1.00 0.00 C ATOM 910 C ARG A 54 11.232 -2.526 -3.371 1.00 0.00 C ATOM 911 O ARG A 54 11.000 -1.319 -3.347 1.00 0.00 O ATOM 912 CB ARG A 54 13.268 -2.284 -4.775 1.00 0.00 C ATOM 913 CG ARG A 54 14.657 -2.767 -5.154 1.00 0.00 C ATOM 914 CD ARG A 54 15.139 -2.120 -6.442 1.00 0.00 C ATOM 915 NE ARG A 54 14.242 -2.389 -7.571 1.00 0.00 N ATOM 916 CZ ARG A 54 14.417 -3.384 -8.444 1.00 0.00 C ATOM 917 NH1 ARG A 54 15.393 -4.265 -8.265 1.00 0.00 N ATOM 918 NH2 ARG A 54 13.605 -3.509 -9.487 1.00 0.00 N ATOM 0 H ARG A 54 12.617 -4.698 -4.881 1.00 0.00 H new ATOM 0 HA ARG A 54 13.229 -2.875 -2.692 1.00 0.00 H new ATOM 0 HB2 ARG A 54 12.613 -2.378 -5.641 1.00 0.00 H new ATOM 0 HB3 ARG A 54 13.318 -1.224 -4.527 1.00 0.00 H new ATOM 0 HG2 ARG A 54 15.355 -2.540 -4.348 1.00 0.00 H new ATOM 0 HG3 ARG A 54 14.647 -3.851 -5.271 1.00 0.00 H new ATOM 0 HD2 ARG A 54 15.222 -1.043 -6.296 1.00 0.00 H new ATOM 0 HD3 ARG A 54 16.137 -2.488 -6.679 1.00 0.00 H new ATOM 0 HE ARG A 54 13.435 -1.778 -7.697 1.00 0.00 H new ATOM 0 HH11 ARG A 54 16.012 -4.183 -7.459 1.00 0.00 H new ATOM 0 HH12 ARG A 54 15.524 -5.024 -8.934 1.00 0.00 H new ATOM 0 HH21 ARG A 54 12.844 -2.844 -9.624 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.742 -4.270 -10.152 1.00 0.00 H new ATOM 932 N PHE A 55 10.283 -3.435 -3.185 1.00 0.00 N ATOM 933 CA PHE A 55 8.873 -3.059 -3.219 1.00 0.00 C ATOM 934 C PHE A 55 8.035 -3.876 -2.244 1.00 0.00 C ATOM 935 O PHE A 55 8.387 -5.000 -1.894 1.00 0.00 O ATOM 936 CB PHE A 55 8.308 -3.254 -4.634 1.00 0.00 C ATOM 937 CG PHE A 55 8.998 -2.443 -5.696 1.00 0.00 C ATOM 938 CD1 PHE A 55 8.596 -1.146 -5.967 1.00 0.00 C ATOM 939 CD2 PHE A 55 10.047 -2.981 -6.425 1.00 0.00 C ATOM 940 CE1 PHE A 55 9.229 -0.399 -6.941 1.00 0.00 C ATOM 941 CE2 PHE A 55 10.684 -2.239 -7.400 1.00 0.00 C ATOM 942 CZ PHE A 55 10.274 -0.947 -7.659 1.00 0.00 C ATOM 0 H PHE A 55 10.459 -4.425 -3.011 1.00 0.00 H new ATOM 0 HA PHE A 55 8.818 -2.011 -2.925 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.378 -4.309 -4.898 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.249 -2.996 -4.628 1.00 0.00 H new ATOM 0 HD1 PHE A 55 7.778 -0.713 -5.410 1.00 0.00 H new ATOM 0 HD2 PHE A 55 10.370 -3.993 -6.228 1.00 0.00 H new ATOM 0 HE1 PHE A 55 8.907 0.612 -7.141 1.00 0.00 H new ATOM 0 HE2 PHE A 55 11.502 -2.669 -7.959 1.00 0.00 H new ATOM 0 HZ PHE A 55 10.770 -0.365 -8.422 1.00 0.00 H new ATOM 952 N TYR A 56 6.949 -3.276 -1.786 1.00 0.00 N ATOM 953 CA TYR A 56 5.888 -3.990 -1.094 1.00 0.00 C ATOM 954 C TYR A 56 4.672 -4.074 -2.004 1.00 0.00 C ATOM 955 O TYR A 56 4.428 -3.163 -2.795 1.00 0.00 O ATOM 956 CB TYR A 56 5.495 -3.281 0.205 1.00 0.00 C ATOM 957 CG TYR A 56 6.391 -3.582 1.384 1.00 0.00 C ATOM 958 CD1 TYR A 56 7.290 -2.641 1.862 1.00 0.00 C ATOM 959 CD2 TYR A 56 6.323 -4.810 2.027 1.00 0.00 C ATOM 960 CE1 TYR A 56 8.097 -2.918 2.949 1.00 0.00 C ATOM 961 CE2 TYR A 56 7.125 -5.095 3.112 1.00 0.00 C ATOM 962 CZ TYR A 56 8.013 -4.148 3.569 1.00 0.00 C ATOM 963 OH TYR A 56 8.820 -4.433 4.646 1.00 0.00 O ATOM 0 H TYR A 56 6.777 -2.275 -1.884 1.00 0.00 H new ATOM 0 HA TYR A 56 6.250 -4.987 -0.844 1.00 0.00 H new ATOM 0 HB2 TYR A 56 5.496 -2.205 0.030 1.00 0.00 H new ATOM 0 HB3 TYR A 56 4.473 -3.561 0.461 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.361 -1.678 1.378 1.00 0.00 H new ATOM 0 HD2 TYR A 56 5.629 -5.557 1.671 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.791 -2.174 3.312 1.00 0.00 H new ATOM 0 HE2 TYR A 56 7.057 -6.056 3.600 1.00 0.00 H new ATOM 0 HH TYR A 56 9.663 -3.940 4.563 1.00 0.00 H new ATOM 973 N TYR A 57 3.922 -5.158 -1.897 1.00 0.00 N ATOM 974 CA TYR A 57 2.718 -5.343 -2.697 1.00 0.00 C ATOM 975 C TYR A 57 1.550 -5.745 -1.809 1.00 0.00 C ATOM 976 O TYR A 57 1.384 -6.918 -1.479 1.00 0.00 O ATOM 977 CB TYR A 57 2.935 -6.406 -3.775 1.00 0.00 C ATOM 978 CG TYR A 57 3.823 -5.966 -4.916 1.00 0.00 C ATOM 979 CD1 TYR A 57 3.348 -5.106 -5.898 1.00 0.00 C ATOM 980 CD2 TYR A 57 5.128 -6.426 -5.024 1.00 0.00 C ATOM 981 CE1 TYR A 57 4.150 -4.711 -6.951 1.00 0.00 C ATOM 982 CE2 TYR A 57 5.936 -6.033 -6.072 1.00 0.00 C ATOM 983 CZ TYR A 57 5.443 -5.180 -7.035 1.00 0.00 C ATOM 984 OH TYR A 57 6.246 -4.794 -8.082 1.00 0.00 O ATOM 0 H TYR A 57 4.126 -5.929 -1.261 1.00 0.00 H new ATOM 0 HA TYR A 57 2.490 -4.395 -3.184 1.00 0.00 H new ATOM 0 HB2 TYR A 57 3.371 -7.292 -3.312 1.00 0.00 H new ATOM 0 HB3 TYR A 57 1.966 -6.701 -4.178 1.00 0.00 H new ATOM 0 HD1 TYR A 57 2.334 -4.740 -5.837 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.517 -7.102 -4.277 1.00 0.00 H new ATOM 0 HE1 TYR A 57 3.766 -4.039 -7.704 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.952 -6.393 -6.137 1.00 0.00 H new ATOM 0 HH TYR A 57 7.044 -4.345 -7.734 1.00 0.00 H new ATOM 994 N VAL A 58 0.752 -4.772 -1.407 1.00 0.00 N ATOM 995 CA VAL A 58 -0.368 -5.030 -0.513 1.00 0.00 C ATOM 996 C VAL A 58 -1.694 -4.997 -1.271 1.00 0.00 C ATOM 997 O VAL A 58 -2.247 -3.927 -1.520 1.00 0.00 O ATOM 998 CB VAL A 58 -0.410 -4.008 0.643 1.00 0.00 C ATOM 999 CG1 VAL A 58 -1.463 -4.398 1.665 1.00 0.00 C ATOM 1000 CG2 VAL A 58 0.954 -3.883 1.302 1.00 0.00 C ATOM 0 H VAL A 58 0.857 -3.796 -1.684 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.222 -6.026 -0.095 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.678 -3.037 0.228 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.476 -3.665 2.471 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.442 -4.428 1.186 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.228 -5.381 2.072 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.901 -3.157 2.114 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.256 -4.852 1.700 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.685 -3.550 0.565 1.00 0.00 H new ATOM 1010 N SER A 59 -2.190 -6.172 -1.644 1.00 0.00 N ATOM 1011 CA SER A 59 -3.452 -6.282 -2.366 1.00 0.00 C ATOM 1012 C SER A 59 -4.603 -5.903 -1.450 1.00 0.00 C ATOM 1013 O SER A 59 -4.858 -6.586 -0.459 1.00 0.00 O ATOM 1014 CB SER A 59 -3.650 -7.713 -2.879 1.00 0.00 C ATOM 1015 OG SER A 59 -4.628 -7.769 -3.904 1.00 0.00 O ATOM 0 H SER A 59 -1.735 -7.065 -1.457 1.00 0.00 H new ATOM 0 HA SER A 59 -3.428 -5.603 -3.218 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.703 -8.099 -3.257 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.950 -8.358 -2.053 1.00 0.00 H new ATOM 0 HG SER A 59 -4.729 -8.695 -4.210 1.00 0.00 H new ATOM 1021 N VAL A 60 -5.277 -4.807 -1.761 1.00 0.00 N ATOM 1022 CA VAL A 60 -6.401 -4.361 -0.959 1.00 0.00 C ATOM 1023 C VAL A 60 -7.619 -4.085 -1.823 1.00 0.00 C ATOM 1024 O VAL A 60 -7.507 -3.767 -3.012 1.00 0.00 O ATOM 1025 CB VAL A 60 -6.074 -3.085 -0.149 1.00 0.00 C ATOM 1026 CG1 VAL A 60 -4.816 -3.287 0.673 1.00 0.00 C ATOM 1027 CG2 VAL A 60 -5.941 -1.871 -1.055 1.00 0.00 C ATOM 0 H VAL A 60 -5.064 -4.212 -2.562 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.615 -5.174 -0.265 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.905 -2.897 0.531 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.600 -2.379 1.237 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.962 -4.117 1.364 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.980 -3.510 0.010 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.711 -0.992 -0.454 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.139 -2.039 -1.773 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.878 -1.711 -1.589 1.00 0.00 H new ATOM 1037 N ASP A 61 -8.780 -4.223 -1.216 1.00 0.00 N ATOM 1038 CA ASP A 61 -10.024 -3.846 -1.853 1.00 0.00 C ATOM 1039 C ASP A 61 -10.228 -2.359 -1.632 1.00 0.00 C ATOM 1040 O ASP A 61 -10.357 -1.911 -0.492 1.00 0.00 O ATOM 1041 CB ASP A 61 -11.192 -4.636 -1.260 1.00 0.00 C ATOM 1042 CG ASP A 61 -12.453 -4.519 -2.092 1.00 0.00 C ATOM 1043 OD1 ASP A 61 -13.161 -3.498 -1.977 1.00 0.00 O ATOM 1044 OD2 ASP A 61 -12.745 -5.461 -2.860 1.00 0.00 O ATOM 0 H ASP A 61 -8.887 -4.597 -0.273 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.982 -4.069 -2.919 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.911 -5.686 -1.177 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.392 -4.279 -0.250 1.00 0.00 H new ATOM 1049 N ALA A 62 -10.220 -1.591 -2.709 1.00 0.00 N ATOM 1050 CA ALA A 62 -10.273 -0.143 -2.597 1.00 0.00 C ATOM 1051 C ALA A 62 -11.677 0.334 -2.238 1.00 0.00 C ATOM 1052 O ALA A 62 -11.865 1.483 -1.831 1.00 0.00 O ATOM 1053 CB ALA A 62 -9.785 0.507 -3.885 1.00 0.00 C ATOM 0 H ALA A 62 -10.178 -1.943 -3.665 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.609 0.160 -1.787 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.831 1.591 -3.785 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.756 0.203 -4.079 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.418 0.192 -4.714 1.00 0.00 H new ATOM 1059 N GLY A 63 -12.659 -0.554 -2.378 1.00 0.00 N ATOM 1060 CA GLY A 63 -14.035 -0.209 -2.065 1.00 0.00 C ATOM 1061 C GLY A 63 -14.700 0.591 -3.167 1.00 0.00 C ATOM 1062 O GLY A 63 -15.851 0.338 -3.522 1.00 0.00 O ATOM 0 H GLY A 63 -12.524 -1.511 -2.704 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -14.604 -1.122 -1.890 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -14.060 0.365 -1.139 1.00 0.00 H new ATOM 1066 N ASP A 64 -13.958 1.552 -3.708 1.00 0.00 N ATOM 1067 CA ASP A 64 -14.435 2.408 -4.789 1.00 0.00 C ATOM 1068 C ASP A 64 -14.869 1.584 -5.998 1.00 0.00 C ATOM 1069 O ASP A 64 -15.769 1.978 -6.739 1.00 0.00 O ATOM 1070 CB ASP A 64 -13.333 3.392 -5.193 1.00 0.00 C ATOM 1071 CG ASP A 64 -13.728 4.277 -6.358 1.00 0.00 C ATOM 1072 OD1 ASP A 64 -13.406 3.928 -7.509 1.00 0.00 O ATOM 1073 OD2 ASP A 64 -14.356 5.334 -6.129 1.00 0.00 O ATOM 0 H ASP A 64 -13.006 1.760 -3.408 1.00 0.00 H new ATOM 0 HA ASP A 64 -15.304 2.960 -4.430 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.081 4.018 -4.337 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.434 2.834 -5.456 1.00 0.00 H new ATOM 1078 N GLY A 65 -14.233 0.436 -6.179 1.00 0.00 N ATOM 1079 CA GLY A 65 -14.585 -0.437 -7.280 1.00 0.00 C ATOM 1080 C GLY A 65 -13.391 -1.187 -7.827 1.00 0.00 C ATOM 1081 O GLY A 65 -13.544 -2.208 -8.494 1.00 0.00 O ATOM 0 H GLY A 65 -13.479 0.093 -5.583 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -15.338 -1.152 -6.947 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.036 0.153 -8.078 1.00 0.00 H new ATOM 1085 N GLU A 66 -12.197 -0.690 -7.546 1.00 0.00 N ATOM 1086 CA GLU A 66 -10.988 -1.311 -8.058 1.00 0.00 C ATOM 1087 C GLU A 66 -10.243 -2.096 -6.988 1.00 0.00 C ATOM 1088 O GLU A 66 -10.517 -1.969 -5.792 1.00 0.00 O ATOM 1089 CB GLU A 66 -10.063 -0.271 -8.679 1.00 0.00 C ATOM 1090 CG GLU A 66 -9.957 1.016 -7.894 1.00 0.00 C ATOM 1091 CD GLU A 66 -9.209 2.083 -8.663 1.00 0.00 C ATOM 1092 OE1 GLU A 66 -9.833 3.095 -9.045 1.00 0.00 O ATOM 1093 OE2 GLU A 66 -8.001 1.900 -8.916 1.00 0.00 O ATOM 0 H GLU A 66 -12.040 0.137 -6.970 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.301 -2.016 -8.828 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.068 -0.703 -8.782 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.417 -0.042 -9.684 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.956 1.377 -7.650 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.448 0.825 -6.949 1.00 0.00 H new ATOM 1100 N LYS A 67 -9.304 -2.912 -7.441 1.00 0.00 N ATOM 1101 CA LYS A 67 -8.460 -3.688 -6.554 1.00 0.00 C ATOM 1102 C LYS A 67 -7.031 -3.166 -6.640 1.00 0.00 C ATOM 1103 O LYS A 67 -6.416 -3.212 -7.703 1.00 0.00 O ATOM 1104 CB LYS A 67 -8.507 -5.170 -6.934 1.00 0.00 C ATOM 1105 CG LYS A 67 -7.753 -6.074 -5.971 1.00 0.00 C ATOM 1106 CD LYS A 67 -7.732 -7.512 -6.461 1.00 0.00 C ATOM 1107 CE LYS A 67 -6.971 -7.639 -7.771 1.00 0.00 C ATOM 1108 NZ LYS A 67 -6.986 -9.028 -8.295 1.00 0.00 N ATOM 0 H LYS A 67 -9.108 -3.053 -8.432 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.823 -3.587 -5.531 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.548 -5.491 -6.980 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.091 -5.293 -7.934 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.731 -5.713 -5.855 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.220 -6.030 -4.987 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.270 -8.149 -5.707 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.754 -7.867 -6.596 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.409 -6.969 -8.510 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.940 -7.319 -7.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.456 -9.068 -9.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.545 -9.665 -7.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.968 -9.325 -8.462 1.00 0.00 H new ATOM 1122 N CYS A 68 -6.511 -2.666 -5.532 1.00 0.00 N ATOM 1123 CA CYS A 68 -5.196 -2.041 -5.527 1.00 0.00 C ATOM 1124 C CYS A 68 -4.198 -2.871 -4.745 1.00 0.00 C ATOM 1125 O CYS A 68 -4.321 -3.034 -3.537 1.00 0.00 O ATOM 1126 CB CYS A 68 -5.258 -0.661 -4.892 1.00 0.00 C ATOM 1127 SG CYS A 68 -6.434 0.485 -5.659 1.00 0.00 S ATOM 0 H CYS A 68 -6.977 -2.680 -4.625 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.877 -1.964 -6.566 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -5.518 -0.774 -3.839 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.264 -0.216 -4.929 1.00 0.00 H new ATOM 1132 N LYS A 69 -3.209 -3.382 -5.436 1.00 0.00 N ATOM 1133 CA LYS A 69 -2.086 -4.030 -4.787 1.00 0.00 C ATOM 1134 C LYS A 69 -1.031 -2.967 -4.487 1.00 0.00 C ATOM 1135 O LYS A 69 -0.133 -2.732 -5.288 1.00 0.00 O ATOM 1136 CB LYS A 69 -1.518 -5.135 -5.683 1.00 0.00 C ATOM 1137 CG LYS A 69 -0.451 -5.987 -5.026 1.00 0.00 C ATOM 1138 CD LYS A 69 0.279 -6.855 -6.043 1.00 0.00 C ATOM 1139 CE LYS A 69 -0.659 -7.813 -6.760 1.00 0.00 C ATOM 1140 NZ LYS A 69 0.049 -8.595 -7.808 1.00 0.00 N ATOM 0 H LYS A 69 -3.155 -3.363 -6.454 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.405 -4.499 -3.856 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.335 -5.781 -6.004 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.100 -4.679 -6.581 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.265 -5.344 -4.515 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.908 -6.622 -4.267 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.772 -6.216 -6.776 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.060 -7.424 -5.538 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.105 -8.495 -6.036 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.475 -7.251 -7.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.623 -9.237 -8.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.454 -7.945 -8.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.812 -9.150 -7.371 1.00 0.00 H new ATOM 1154 N PHE A 70 -1.186 -2.296 -3.351 1.00 0.00 N ATOM 1155 CA PHE A 70 -0.353 -1.149 -3.001 1.00 0.00 C ATOM 1156 C PHE A 70 1.119 -1.436 -3.207 1.00 0.00 C ATOM 1157 O PHE A 70 1.696 -2.300 -2.548 1.00 0.00 O ATOM 1158 CB PHE A 70 -0.619 -0.710 -1.562 1.00 0.00 C ATOM 1159 CG PHE A 70 -1.715 0.304 -1.466 1.00 0.00 C ATOM 1160 CD1 PHE A 70 -2.986 0.021 -1.934 1.00 0.00 C ATOM 1161 CD2 PHE A 70 -1.468 1.544 -0.916 1.00 0.00 C ATOM 1162 CE1 PHE A 70 -3.992 0.964 -1.853 1.00 0.00 C ATOM 1163 CE2 PHE A 70 -2.467 2.487 -0.828 1.00 0.00 C ATOM 1164 CZ PHE A 70 -3.731 2.200 -1.297 1.00 0.00 C ATOM 0 H PHE A 70 -1.889 -2.529 -2.649 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.623 -0.334 -3.672 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.881 -1.582 -0.962 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.295 -0.294 -1.138 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -3.193 -0.947 -2.367 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.479 1.778 -0.550 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.980 0.735 -2.224 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -2.260 3.453 -0.391 1.00 0.00 H new ATOM 0 HZ PHE A 70 -4.515 2.940 -1.230 1.00 0.00 H new ATOM 1174 N LYS A 71 1.714 -0.691 -4.129 1.00 0.00 N ATOM 1175 CA LYS A 71 3.085 -0.913 -4.526 1.00 0.00 C ATOM 1176 C LYS A 71 3.987 0.017 -3.745 1.00 0.00 C ATOM 1177 O LYS A 71 4.544 0.982 -4.281 1.00 0.00 O ATOM 1178 CB LYS A 71 3.247 -0.684 -6.028 1.00 0.00 C ATOM 1179 CG LYS A 71 4.619 -1.050 -6.558 1.00 0.00 C ATOM 1180 CD LYS A 71 4.648 -0.963 -8.071 1.00 0.00 C ATOM 1181 CE LYS A 71 5.809 -1.760 -8.642 1.00 0.00 C ATOM 1182 NZ LYS A 71 5.641 -2.048 -10.088 1.00 0.00 N ATOM 0 H LYS A 71 1.257 0.079 -4.617 1.00 0.00 H new ATOM 0 HA LYS A 71 3.362 -1.945 -4.310 1.00 0.00 H new ATOM 0 HB2 LYS A 71 2.495 -1.268 -6.558 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.050 0.365 -6.250 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.368 -0.380 -6.136 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.879 -2.060 -6.242 1.00 0.00 H new ATOM 0 HD2 LYS A 71 3.709 -1.339 -8.478 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.733 0.080 -8.377 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.736 -1.207 -8.490 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.905 -2.699 -8.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.284 -2.816 -10.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.659 -2.335 -10.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.862 -1.195 -10.640 1.00 0.00 H new ATOM 1196 N ILE A 72 4.100 -0.255 -2.466 1.00 0.00 N ATOM 1197 CA ILE A 72 4.899 0.575 -1.601 1.00 0.00 C ATOM 1198 C ILE A 72 6.362 0.306 -1.857 1.00 0.00 C ATOM 1199 O ILE A 72 6.942 -0.640 -1.324 1.00 0.00 O ATOM 1200 CB ILE A 72 4.545 0.367 -0.113 1.00 0.00 C ATOM 1201 CG1 ILE A 72 3.156 0.943 0.159 1.00 0.00 C ATOM 1202 CG2 ILE A 72 5.577 1.031 0.792 1.00 0.00 C ATOM 1203 CD1 ILE A 72 2.452 0.314 1.342 1.00 0.00 C ATOM 0 H ILE A 72 3.649 -1.044 -2.004 1.00 0.00 H new ATOM 0 HA ILE A 72 4.681 1.619 -1.829 1.00 0.00 H new ATOM 0 HB ILE A 72 4.548 -0.701 0.104 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.245 2.016 0.330 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.539 0.813 -0.730 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.304 0.869 1.835 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.559 0.598 0.603 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.607 2.101 0.586 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.473 0.776 1.470 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.329 -0.755 1.166 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.046 0.467 2.243 1.00 0.00 H new ATOM 1215 N ARG A 73 6.921 1.090 -2.765 1.00 0.00 N ATOM 1216 CA ARG A 73 8.345 1.072 -3.010 1.00 0.00 C ATOM 1217 C ARG A 73 9.038 1.213 -1.676 1.00 0.00 C ATOM 1218 O ARG A 73 8.829 2.197 -0.964 1.00 0.00 O ATOM 1219 CB ARG A 73 8.740 2.216 -3.947 1.00 0.00 C ATOM 1220 CG ARG A 73 10.158 2.136 -4.493 1.00 0.00 C ATOM 1221 CD ARG A 73 10.393 3.181 -5.574 1.00 0.00 C ATOM 1222 NE ARG A 73 11.769 3.148 -6.074 1.00 0.00 N ATOM 1223 CZ ARG A 73 12.101 3.232 -7.361 1.00 0.00 C ATOM 1224 NH1 ARG A 73 11.161 3.362 -8.287 1.00 0.00 N ATOM 1225 NH2 ARG A 73 13.374 3.198 -7.723 1.00 0.00 N ATOM 0 H ARG A 73 6.402 1.749 -3.345 1.00 0.00 H new ATOM 0 HA ARG A 73 8.638 0.139 -3.492 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.044 2.236 -4.786 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.624 3.160 -3.414 1.00 0.00 H new ATOM 0 HG2 ARG A 73 10.871 2.282 -3.682 1.00 0.00 H new ATOM 0 HG3 ARG A 73 10.338 1.141 -4.900 1.00 0.00 H new ATOM 0 HD2 ARG A 73 9.702 3.011 -6.400 1.00 0.00 H new ATOM 0 HD3 ARG A 73 10.175 4.172 -5.175 1.00 0.00 H new ATOM 0 HE ARG A 73 12.522 3.055 -5.392 1.00 0.00 H new ATOM 0 HH11 ARG A 73 10.179 3.398 -8.015 1.00 0.00 H new ATOM 0 HH12 ARG A 73 11.420 3.426 -9.271 1.00 0.00 H new ATOM 0 HH21 ARG A 73 14.103 3.107 -7.016 1.00 0.00 H new ATOM 0 HH22 ARG A 73 13.626 3.262 -8.709 1.00 0.00 H new ATOM 1239 N LYS A 74 9.793 0.201 -1.305 1.00 0.00 N ATOM 1240 CA LYS A 74 10.469 0.222 -0.025 1.00 0.00 C ATOM 1241 C LYS A 74 11.400 1.416 0.051 1.00 0.00 C ATOM 1242 O LYS A 74 11.685 2.061 -0.960 1.00 0.00 O ATOM 1243 CB LYS A 74 11.279 -1.051 0.222 1.00 0.00 C ATOM 1244 CG LYS A 74 10.465 -2.329 0.284 1.00 0.00 C ATOM 1245 CD LYS A 74 11.318 -3.473 0.804 1.00 0.00 C ATOM 1246 CE LYS A 74 10.489 -4.692 1.162 1.00 0.00 C ATOM 1247 NZ LYS A 74 10.250 -5.592 0.007 1.00 0.00 N ATOM 0 H LYS A 74 9.953 -0.637 -1.864 1.00 0.00 H new ATOM 0 HA LYS A 74 9.697 0.290 0.742 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.022 -1.150 -0.569 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.824 -0.940 1.159 1.00 0.00 H new ATOM 0 HG2 LYS A 74 9.601 -2.187 0.933 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.083 -2.573 -0.707 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.055 -3.746 0.049 1.00 0.00 H new ATOM 0 HD3 LYS A 74 11.871 -3.141 1.683 1.00 0.00 H new ATOM 0 HE2 LYS A 74 10.995 -5.249 1.951 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.530 -4.366 1.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.040 -6.551 0.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.444 -5.239 -0.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 11.098 -5.618 -0.594 1.00 0.00 H new ATOM 1261 N ASP A 75 11.859 1.710 1.250 1.00 0.00 N ATOM 1262 CA ASP A 75 12.854 2.747 1.452 1.00 0.00 C ATOM 1263 C ASP A 75 14.183 2.312 0.836 1.00 0.00 C ATOM 1264 O ASP A 75 15.102 1.868 1.528 1.00 0.00 O ATOM 1265 CB ASP A 75 12.987 3.037 2.948 1.00 0.00 C ATOM 1266 CG ASP A 75 14.076 4.031 3.290 1.00 0.00 C ATOM 1267 OD1 ASP A 75 14.655 3.898 4.387 1.00 0.00 O ATOM 1268 OD2 ASP A 75 14.357 4.933 2.478 1.00 0.00 O ATOM 0 H ASP A 75 11.558 1.243 2.105 1.00 0.00 H new ATOM 0 HA ASP A 75 12.546 3.668 0.957 1.00 0.00 H new ATOM 0 HB2 ASP A 75 12.035 3.415 3.320 1.00 0.00 H new ATOM 0 HB3 ASP A 75 13.185 2.102 3.472 1.00 0.00 H new ATOM 1273 N VAL A 76 14.235 2.369 -0.487 1.00 0.00 N ATOM 1274 CA VAL A 76 15.420 2.010 -1.240 1.00 0.00 C ATOM 1275 C VAL A 76 16.113 3.268 -1.733 1.00 0.00 C ATOM 1276 O VAL A 76 15.753 3.828 -2.773 1.00 0.00 O ATOM 1277 CB VAL A 76 15.090 1.076 -2.433 1.00 0.00 C ATOM 1278 CG1 VAL A 76 14.839 -0.339 -1.946 1.00 0.00 C ATOM 1279 CG2 VAL A 76 13.891 1.582 -3.227 1.00 0.00 C ATOM 0 H VAL A 76 13.451 2.667 -1.067 1.00 0.00 H new ATOM 0 HA VAL A 76 16.086 1.461 -0.574 1.00 0.00 H new ATOM 0 HB VAL A 76 15.953 1.074 -3.098 1.00 0.00 H new ATOM 0 HG11 VAL A 76 14.609 -0.981 -2.796 1.00 0.00 H new ATOM 0 HG12 VAL A 76 15.729 -0.713 -1.440 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.999 -0.341 -1.252 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.690 0.902 -4.055 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.018 1.630 -2.576 1.00 0.00 H new ATOM 0 HG23 VAL A 76 14.107 2.576 -3.618 1.00 0.00 H new ATOM 1289 N ASP A 77 17.087 3.717 -0.945 1.00 0.00 N ATOM 1290 CA ASP A 77 17.785 4.983 -1.171 1.00 0.00 C ATOM 1291 C ASP A 77 16.872 6.157 -0.837 1.00 0.00 C ATOM 1292 O ASP A 77 17.165 6.946 0.060 1.00 0.00 O ATOM 1293 CB ASP A 77 18.300 5.105 -2.607 1.00 0.00 C ATOM 1294 CG ASP A 77 19.133 6.352 -2.809 1.00 0.00 C ATOM 1295 OD1 ASP A 77 20.252 6.414 -2.256 1.00 0.00 O ATOM 1296 OD2 ASP A 77 18.682 7.275 -3.521 1.00 0.00 O ATOM 0 H ASP A 77 17.418 3.209 -0.125 1.00 0.00 H new ATOM 0 HA ASP A 77 18.651 5.001 -0.510 1.00 0.00 H new ATOM 0 HB2 ASP A 77 18.897 4.227 -2.853 1.00 0.00 H new ATOM 0 HB3 ASP A 77 17.455 5.119 -3.295 1.00 0.00 H new ATOM 1301 N VAL A 78 15.759 6.257 -1.550 1.00 0.00 N ATOM 1302 CA VAL A 78 14.761 7.272 -1.271 1.00 0.00 C ATOM 1303 C VAL A 78 13.570 6.654 -0.548 1.00 0.00 C ATOM 1304 O VAL A 78 13.161 5.525 -0.834 1.00 0.00 O ATOM 1305 CB VAL A 78 14.265 7.986 -2.548 1.00 0.00 C ATOM 1306 CG1 VAL A 78 15.427 8.578 -3.324 1.00 0.00 C ATOM 1307 CG2 VAL A 78 13.453 7.042 -3.415 1.00 0.00 C ATOM 0 H VAL A 78 15.526 5.642 -2.330 1.00 0.00 H new ATOM 0 HA VAL A 78 15.242 8.018 -0.639 1.00 0.00 H new ATOM 0 HB VAL A 78 13.614 8.806 -2.245 1.00 0.00 H new ATOM 0 HG11 VAL A 78 15.052 9.075 -4.218 1.00 0.00 H new ATOM 0 HG12 VAL A 78 15.951 9.302 -2.699 1.00 0.00 H new ATOM 0 HG13 VAL A 78 16.115 7.783 -3.612 1.00 0.00 H new ATOM 0 HG21 VAL A 78 13.115 7.568 -4.308 1.00 0.00 H new ATOM 0 HG22 VAL A 78 14.071 6.193 -3.706 1.00 0.00 H new ATOM 0 HG23 VAL A 78 12.589 6.686 -2.855 1.00 0.00 H new ATOM 1317 N PRO A 79 13.018 7.386 0.409 1.00 0.00 N ATOM 1318 CA PRO A 79 11.900 6.933 1.221 1.00 0.00 C ATOM 1319 C PRO A 79 10.534 7.323 0.655 1.00 0.00 C ATOM 1320 O PRO A 79 9.959 8.332 1.070 1.00 0.00 O ATOM 1321 CB PRO A 79 12.156 7.693 2.510 1.00 0.00 C ATOM 1322 CG PRO A 79 12.644 9.012 2.041 1.00 0.00 C ATOM 1323 CD PRO A 79 13.468 8.725 0.819 1.00 0.00 C ATOM 0 HA PRO A 79 11.855 5.847 1.302 1.00 0.00 H new ATOM 0 HB2 PRO A 79 11.249 7.789 3.106 1.00 0.00 H new ATOM 0 HB3 PRO A 79 12.895 7.190 3.133 1.00 0.00 H new ATOM 0 HG2 PRO A 79 11.813 9.677 1.806 1.00 0.00 H new ATOM 0 HG3 PRO A 79 13.240 9.505 2.809 1.00 0.00 H new ATOM 0 HD2 PRO A 79 13.296 9.464 0.036 1.00 0.00 H new ATOM 0 HD3 PRO A 79 14.535 8.739 1.042 1.00 0.00 H new ATOM 1331 N LYS A 80 9.995 6.538 -0.269 1.00 0.00 N ATOM 1332 CA LYS A 80 8.659 6.826 -0.786 1.00 0.00 C ATOM 1333 C LYS A 80 8.069 5.660 -1.553 1.00 0.00 C ATOM 1334 O LYS A 80 8.792 4.848 -2.129 1.00 0.00 O ATOM 1335 CB LYS A 80 8.667 8.065 -1.675 1.00 0.00 C ATOM 1336 CG LYS A 80 7.871 9.213 -1.083 1.00 0.00 C ATOM 1337 CD LYS A 80 7.880 10.431 -1.988 1.00 0.00 C ATOM 1338 CE LYS A 80 9.290 10.910 -2.276 1.00 0.00 C ATOM 1339 NZ LYS A 80 9.292 12.076 -3.194 1.00 0.00 N ATOM 0 H LYS A 80 10.447 5.716 -0.669 1.00 0.00 H new ATOM 0 HA LYS A 80 8.031 7.009 0.086 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.696 8.386 -1.835 1.00 0.00 H new ATOM 0 HB3 LYS A 80 8.257 7.809 -2.652 1.00 0.00 H new ATOM 0 HG2 LYS A 80 6.843 8.893 -0.914 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.286 9.479 -0.111 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.379 10.190 -2.926 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.312 11.235 -1.521 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.781 11.181 -1.341 1.00 0.00 H new ATOM 0 HE3 LYS A 80 9.868 10.098 -2.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 10.272 12.378 -3.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 8.845 11.810 -4.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 8.761 12.859 -2.762 1.00 0.00 H new ATOM 1353 N MET A 81 6.744 5.610 -1.573 1.00 0.00 N ATOM 1354 CA MET A 81 6.020 4.574 -2.289 1.00 0.00 C ATOM 1355 C MET A 81 5.917 4.942 -3.767 1.00 0.00 C ATOM 1356 O MET A 81 5.390 5.996 -4.115 1.00 0.00 O ATOM 1357 CB MET A 81 4.629 4.415 -1.683 1.00 0.00 C ATOM 1358 CG MET A 81 3.651 3.682 -2.578 1.00 0.00 C ATOM 1359 SD MET A 81 1.951 4.113 -2.193 1.00 0.00 S ATOM 1360 CE MET A 81 2.094 5.897 -2.198 1.00 0.00 C ATOM 0 H MET A 81 6.145 6.284 -1.095 1.00 0.00 H new ATOM 0 HA MET A 81 6.555 3.628 -2.202 1.00 0.00 H new ATOM 0 HB2 MET A 81 4.714 3.879 -0.738 1.00 0.00 H new ATOM 0 HB3 MET A 81 4.228 5.402 -1.454 1.00 0.00 H new ATOM 0 HG2 MET A 81 3.861 3.922 -3.620 1.00 0.00 H new ATOM 0 HG3 MET A 81 3.789 2.607 -2.465 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.131 6.338 -2.455 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.398 6.240 -1.209 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.840 6.200 -2.933 1.00 0.00 H new ATOM 1370 N VAL A 82 6.437 4.077 -4.630 1.00 0.00 N ATOM 1371 CA VAL A 82 6.434 4.328 -6.069 1.00 0.00 C ATOM 1372 C VAL A 82 5.011 4.462 -6.608 1.00 0.00 C ATOM 1373 O VAL A 82 4.738 5.315 -7.452 1.00 0.00 O ATOM 1374 CB VAL A 82 7.189 3.221 -6.853 1.00 0.00 C ATOM 1375 CG1 VAL A 82 6.527 1.861 -6.682 1.00 0.00 C ATOM 1376 CG2 VAL A 82 7.300 3.581 -8.328 1.00 0.00 C ATOM 0 H VAL A 82 6.867 3.193 -4.359 1.00 0.00 H new ATOM 0 HA VAL A 82 6.959 5.272 -6.220 1.00 0.00 H new ATOM 0 HB VAL A 82 8.194 3.155 -6.436 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.084 1.112 -7.245 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.520 1.590 -5.626 1.00 0.00 H new ATOM 0 HG13 VAL A 82 5.503 1.906 -7.052 1.00 0.00 H new ATOM 0 HG21 VAL A 82 7.833 2.790 -8.856 1.00 0.00 H new ATOM 0 HG22 VAL A 82 6.302 3.692 -8.752 1.00 0.00 H new ATOM 0 HG23 VAL A 82 7.845 4.519 -8.434 1.00 0.00 H new ATOM 1386 N GLY A 83 4.104 3.636 -6.105 1.00 0.00 N ATOM 1387 CA GLY A 83 2.745 3.689 -6.571 1.00 0.00 C ATOM 1388 C GLY A 83 1.859 2.664 -5.912 1.00 0.00 C ATOM 1389 O GLY A 83 2.115 2.219 -4.798 1.00 0.00 O ATOM 0 H GLY A 83 4.289 2.936 -5.387 1.00 0.00 H new ATOM 0 HA2 GLY A 83 2.341 4.684 -6.385 1.00 0.00 H new ATOM 0 HA3 GLY A 83 2.730 3.535 -7.650 1.00 0.00 H new ATOM 1393 N ARG A 84 0.823 2.269 -6.615 1.00 0.00 N ATOM 1394 CA ARG A 84 -0.187 1.385 -6.073 1.00 0.00 C ATOM 1395 C ARG A 84 -0.772 0.600 -7.210 1.00 0.00 C ATOM 1396 O ARG A 84 -1.233 1.194 -8.180 1.00 0.00 O ATOM 1397 CB ARG A 84 -1.315 2.169 -5.400 1.00 0.00 C ATOM 1398 CG ARG A 84 -0.867 3.176 -4.368 1.00 0.00 C ATOM 1399 CD ARG A 84 -2.057 3.957 -3.839 1.00 0.00 C ATOM 1400 NE ARG A 84 -2.822 4.576 -4.922 1.00 0.00 N ATOM 1401 CZ ARG A 84 -4.153 4.640 -4.961 1.00 0.00 C ATOM 1402 NH1 ARG A 84 -4.879 4.114 -3.979 1.00 0.00 N ATOM 1403 NH2 ARG A 84 -4.753 5.228 -5.987 1.00 0.00 N ATOM 0 H ARG A 84 0.655 2.551 -7.581 1.00 0.00 H new ATOM 0 HA ARG A 84 0.276 0.739 -5.327 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -1.884 2.690 -6.170 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.995 1.462 -4.924 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -0.365 2.665 -3.546 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -0.142 3.860 -4.809 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -2.705 3.291 -3.270 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.710 4.728 -3.152 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.303 4.986 -5.698 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.418 3.659 -3.191 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -5.897 4.166 -4.014 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -4.196 5.629 -6.742 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -5.771 5.279 -6.021 1.00 0.00 H new ATOM 1417 N LYS A 85 -0.765 -0.715 -7.104 1.00 0.00 N ATOM 1418 CA LYS A 85 -1.274 -1.556 -8.181 1.00 0.00 C ATOM 1419 C LYS A 85 -2.799 -1.542 -8.181 1.00 0.00 C ATOM 1420 O LYS A 85 -3.448 -2.581 -8.077 1.00 0.00 O ATOM 1421 CB LYS A 85 -0.728 -2.986 -8.079 1.00 0.00 C ATOM 1422 CG LYS A 85 -0.837 -3.800 -9.361 1.00 0.00 C ATOM 1423 CD LYS A 85 -0.006 -3.188 -10.473 1.00 0.00 C ATOM 1424 CE LYS A 85 0.023 -4.064 -11.714 1.00 0.00 C ATOM 1425 NZ LYS A 85 -1.332 -4.289 -12.279 1.00 0.00 N ATOM 0 H LYS A 85 -0.417 -1.225 -6.292 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.926 -1.148 -9.130 1.00 0.00 H new ATOM 0 HB2 LYS A 85 0.320 -2.940 -7.781 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -1.262 -3.509 -7.286 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.505 -4.821 -9.175 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -1.880 -3.856 -9.672 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -0.410 -2.209 -10.730 1.00 0.00 H new ATOM 0 HD3 LYS A 85 1.012 -3.029 -10.118 1.00 0.00 H new ATOM 0 HE2 LYS A 85 0.656 -3.599 -12.469 1.00 0.00 H new ATOM 0 HE3 LYS A 85 0.475 -5.025 -11.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -1.252 -4.805 -13.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -1.899 -4.847 -11.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -1.795 -3.373 -12.446 1.00 0.00 H new ATOM 1439 N CYS A 86 -3.344 -0.335 -8.259 1.00 0.00 N ATOM 1440 CA CYS A 86 -4.763 -0.114 -8.463 1.00 0.00 C ATOM 1441 C CYS A 86 -5.110 -0.464 -9.887 1.00 0.00 C ATOM 1442 O CYS A 86 -4.293 -1.081 -10.580 1.00 0.00 O ATOM 1443 CB CYS A 86 -5.103 1.350 -8.230 1.00 0.00 C ATOM 1444 SG CYS A 86 -5.202 1.862 -6.488 1.00 0.00 S ATOM 0 H CYS A 86 -2.803 0.526 -8.181 1.00 0.00 H new ATOM 0 HA CYS A 86 -5.325 -0.734 -7.765 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -4.353 1.963 -8.729 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -6.059 1.564 -8.708 1.00 0.00 H new ATOM 1449 N ARG A 87 -6.286 -0.030 -10.342 1.00 0.00 N ATOM 1450 CA ARG A 87 -6.710 -0.313 -11.698 1.00 0.00 C ATOM 1451 C ARG A 87 -6.896 -1.822 -11.828 1.00 0.00 C ATOM 1452 O ARG A 87 -5.935 -2.564 -12.012 1.00 0.00 O ATOM 1453 CB ARG A 87 -5.658 0.229 -12.674 1.00 0.00 C ATOM 1454 CG ARG A 87 -5.513 1.744 -12.636 1.00 0.00 C ATOM 1455 CD ARG A 87 -4.248 2.211 -13.348 1.00 0.00 C ATOM 1456 NE ARG A 87 -4.050 3.654 -13.227 1.00 0.00 N ATOM 1457 CZ ARG A 87 -2.935 4.283 -13.601 1.00 0.00 C ATOM 1458 NH1 ARG A 87 -1.951 3.609 -14.181 1.00 0.00 N ATOM 1459 NH2 ARG A 87 -2.808 5.589 -13.410 1.00 0.00 N ATOM 0 H ARG A 87 -6.951 0.513 -9.791 1.00 0.00 H new ATOM 0 HA ARG A 87 -7.656 0.173 -11.935 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -4.694 -0.226 -12.445 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.922 -0.077 -13.686 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.384 2.204 -13.103 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.492 2.081 -11.600 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -3.385 1.691 -12.932 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -4.305 1.940 -14.402 1.00 0.00 H new ATOM 0 HE ARG A 87 -4.808 4.212 -12.834 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -2.046 2.606 -14.342 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -1.100 4.093 -14.466 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -3.565 6.117 -12.975 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -1.953 6.066 -13.698 1.00 0.00 H new ATOM 1473 N LYS A 88 -8.138 -2.267 -11.696 1.00 0.00 N ATOM 1474 CA LYS A 88 -8.435 -3.680 -11.460 1.00 0.00 C ATOM 1475 C LYS A 88 -7.891 -4.595 -12.562 1.00 0.00 C ATOM 1476 O LYS A 88 -7.713 -5.794 -12.345 1.00 0.00 O ATOM 1477 CB LYS A 88 -9.942 -3.881 -11.313 1.00 0.00 C ATOM 1478 CG LYS A 88 -10.306 -5.086 -10.468 1.00 0.00 C ATOM 1479 CD LYS A 88 -11.795 -5.407 -10.524 1.00 0.00 C ATOM 1480 CE LYS A 88 -12.214 -6.023 -11.858 1.00 0.00 C ATOM 1481 NZ LYS A 88 -12.306 -5.021 -12.955 1.00 0.00 N ATOM 0 H LYS A 88 -8.963 -1.669 -11.748 1.00 0.00 H new ATOM 0 HA LYS A 88 -7.930 -3.959 -10.535 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -10.379 -2.988 -10.867 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -10.385 -3.993 -12.303 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -9.738 -5.951 -10.810 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -10.015 -4.902 -9.434 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -12.045 -6.095 -9.716 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -12.366 -4.494 -10.354 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -11.497 -6.795 -12.137 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -13.180 -6.513 -11.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -13.155 -5.208 -13.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -12.365 -4.066 -12.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -11.462 -5.089 -13.559 1.00 0.00 H new ATOM 1495 N ASP A 89 -7.625 -4.037 -13.732 1.00 0.00 N ATOM 1496 CA ASP A 89 -7.079 -4.812 -14.839 1.00 0.00 C ATOM 1497 C ASP A 89 -5.778 -4.185 -15.327 1.00 0.00 C ATOM 1498 O ASP A 89 -5.243 -3.281 -14.682 1.00 0.00 O ATOM 1499 CB ASP A 89 -8.093 -4.906 -15.983 1.00 0.00 C ATOM 1500 CG ASP A 89 -9.375 -5.600 -15.563 1.00 0.00 C ATOM 1501 OD1 ASP A 89 -9.396 -6.847 -15.522 1.00 0.00 O ATOM 1502 OD2 ASP A 89 -10.364 -4.898 -15.265 1.00 0.00 O ATOM 0 H ASP A 89 -7.778 -3.050 -13.942 1.00 0.00 H new ATOM 0 HA ASP A 89 -6.869 -5.822 -14.487 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -8.326 -3.903 -16.342 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -7.647 -5.447 -16.817 1.00 0.00 H new ATOM 1507 N ASP A 90 -5.261 -4.666 -16.452 1.00 0.00 N ATOM 1508 CA ASP A 90 -4.027 -4.119 -17.012 1.00 0.00 C ATOM 1509 C ASP A 90 -4.267 -2.720 -17.566 1.00 0.00 C ATOM 1510 O ASP A 90 -4.654 -2.548 -18.723 1.00 0.00 O ATOM 1511 CB ASP A 90 -3.455 -5.034 -18.102 1.00 0.00 C ATOM 1512 CG ASP A 90 -2.858 -6.309 -17.540 1.00 0.00 C ATOM 1513 OD1 ASP A 90 -1.661 -6.303 -17.184 1.00 0.00 O ATOM 1514 OD2 ASP A 90 -3.586 -7.321 -17.445 1.00 0.00 O ATOM 0 H ASP A 90 -5.672 -5.428 -16.992 1.00 0.00 H new ATOM 0 HA ASP A 90 -3.294 -4.058 -16.207 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.245 -5.288 -18.809 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -2.690 -4.494 -18.660 1.00 0.00 H new ATOM 1519 N ASP A 91 -4.061 -1.728 -16.715 1.00 0.00 N ATOM 1520 CA ASP A 91 -4.303 -0.335 -17.067 1.00 0.00 C ATOM 1521 C ASP A 91 -3.151 0.520 -16.541 1.00 0.00 C ATOM 1522 O ASP A 91 -3.224 1.748 -16.490 1.00 0.00 O ATOM 1523 CB ASP A 91 -5.645 0.114 -16.465 1.00 0.00 C ATOM 1524 CG ASP A 91 -6.130 1.456 -16.979 1.00 0.00 C ATOM 1525 OD1 ASP A 91 -6.244 2.405 -16.172 1.00 0.00 O ATOM 1526 OD2 ASP A 91 -6.427 1.563 -18.184 1.00 0.00 O ATOM 0 H ASP A 91 -3.722 -1.863 -15.763 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.355 -0.219 -18.150 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -6.400 -0.642 -16.681 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -5.547 0.165 -15.381 1.00 0.00 H new ATOM 1531 N ASP A 92 -2.080 -0.159 -16.154 1.00 0.00 N ATOM 1532 CA ASP A 92 -0.904 0.493 -15.591 1.00 0.00 C ATOM 1533 C ASP A 92 0.161 0.713 -16.657 1.00 0.00 C ATOM 1534 O ASP A 92 0.024 0.246 -17.791 1.00 0.00 O ATOM 1535 CB ASP A 92 -0.335 -0.347 -14.448 1.00 0.00 C ATOM 1536 CG ASP A 92 0.022 -1.755 -14.883 1.00 0.00 C ATOM 1537 OD1 ASP A 92 1.226 -2.070 -14.964 1.00 0.00 O ATOM 1538 OD2 ASP A 92 -0.900 -2.557 -15.145 1.00 0.00 O ATOM 0 H ASP A 92 -2.001 -1.174 -16.221 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.207 1.466 -15.205 1.00 0.00 H new ATOM 0 HB2 ASP A 92 0.553 0.143 -14.049 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -1.064 -0.394 -13.639 1.00 0.00 H new ATOM 1543 N ASP A 93 1.225 1.408 -16.284 1.00 0.00 N ATOM 1544 CA ASP A 93 2.277 1.778 -17.221 1.00 0.00 C ATOM 1545 C ASP A 93 3.622 1.868 -16.505 1.00 0.00 C ATOM 1546 O ASP A 93 3.862 1.144 -15.540 1.00 0.00 O ATOM 1547 CB ASP A 93 1.934 3.116 -17.903 1.00 0.00 C ATOM 1548 CG ASP A 93 1.710 4.257 -16.924 1.00 0.00 C ATOM 1549 OD1 ASP A 93 2.694 4.925 -16.533 1.00 0.00 O ATOM 1550 OD2 ASP A 93 0.545 4.509 -16.561 1.00 0.00 O ATOM 0 H ASP A 93 1.384 1.730 -15.329 1.00 0.00 H new ATOM 0 HA ASP A 93 2.350 1.007 -17.988 1.00 0.00 H new ATOM 0 HB2 ASP A 93 2.742 3.385 -18.583 1.00 0.00 H new ATOM 0 HB3 ASP A 93 1.037 2.986 -18.509 1.00 0.00 H new ATOM 1555 N ASP A 94 4.500 2.736 -17.003 1.00 0.00 N ATOM 1556 CA ASP A 94 5.811 2.977 -16.398 1.00 0.00 C ATOM 1557 C ASP A 94 5.671 3.346 -14.925 1.00 0.00 C ATOM 1558 O ASP A 94 6.535 3.020 -14.104 1.00 0.00 O ATOM 1559 CB ASP A 94 6.523 4.107 -17.139 1.00 0.00 C ATOM 1560 CG ASP A 94 7.931 4.347 -16.642 1.00 0.00 C ATOM 1561 OD1 ASP A 94 8.138 5.297 -15.859 1.00 0.00 O ATOM 1562 OD2 ASP A 94 8.842 3.591 -17.040 1.00 0.00 O ATOM 0 H ASP A 94 4.324 3.294 -17.839 1.00 0.00 H new ATOM 0 HA ASP A 94 6.396 2.060 -16.474 1.00 0.00 H new ATOM 0 HB2 ASP A 94 6.555 3.873 -18.203 1.00 0.00 H new ATOM 0 HB3 ASP A 94 5.945 5.025 -17.032 1.00 0.00 H new ATOM 1567 N GLY A 95 4.584 4.037 -14.605 1.00 0.00 N ATOM 1568 CA GLY A 95 4.291 4.363 -13.228 1.00 0.00 C ATOM 1569 C GLY A 95 3.834 3.138 -12.467 1.00 0.00 C ATOM 1570 O GLY A 95 2.984 2.396 -12.954 1.00 0.00 O ATOM 0 H GLY A 95 3.899 4.377 -15.280 1.00 0.00 H new ATOM 0 HA2 GLY A 95 5.178 4.781 -12.753 1.00 0.00 H new ATOM 0 HA3 GLY A 95 3.517 5.130 -13.189 1.00 0.00 H new ATOM 1574 N TYR A 96 4.413 2.936 -11.284 1.00 0.00 N ATOM 1575 CA TYR A 96 4.156 1.773 -10.449 1.00 0.00 C ATOM 1576 C TYR A 96 4.275 0.474 -11.260 1.00 0.00 C ATOM 1577 O TYR A 96 5.424 0.106 -11.578 1.00 0.00 O ATOM 1578 CB TYR A 96 2.829 1.916 -9.643 1.00 0.00 C ATOM 1579 CG TYR A 96 1.499 1.575 -10.314 1.00 0.00 C ATOM 1580 CD1 TYR A 96 0.782 2.506 -11.068 1.00 0.00 C ATOM 1581 CD2 TYR A 96 0.934 0.321 -10.138 1.00 0.00 C ATOM 1582 CE1 TYR A 96 -0.443 2.183 -11.620 1.00 0.00 C ATOM 1583 CE2 TYR A 96 -0.284 -0.004 -10.693 1.00 0.00 C ATOM 1584 CZ TYR A 96 -0.969 0.926 -11.429 1.00 0.00 C ATOM 1585 OH TYR A 96 -2.185 0.595 -11.977 1.00 0.00 O ATOM 1586 OXT TYR A 96 3.271 -0.183 -11.551 1.00 0.00 O ATOM 0 H TYR A 96 5.083 3.588 -10.877 1.00 0.00 H new ATOM 0 HA TYR A 96 4.933 1.714 -9.687 1.00 0.00 H new ATOM 0 HB2 TYR A 96 2.917 1.289 -8.756 1.00 0.00 H new ATOM 0 HB3 TYR A 96 2.766 2.948 -9.299 1.00 0.00 H new ATOM 0 HD1 TYR A 96 1.191 3.494 -11.222 1.00 0.00 H new ATOM 0 HD2 TYR A 96 1.461 -0.418 -9.552 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -0.986 2.915 -12.200 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -0.698 -0.991 -10.548 1.00 0.00 H new ATOM 0 HH TYR A 96 -2.686 0.036 -11.347 1.00 0.00 H new TER 1596 TYR A 96