USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 732 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 22 GLN : amide:sc= 0.915 K(o=2,f=-6) USER MOD Set 1.2: A 25 LYS NZ :NH3+ 139:sc= 1.05 (180deg=0) USER MOD Single : A 11 HIS : no HD1:sc= -0.159 K(o=-0.16,f=-0.67) USER MOD Single : A 14 GLN : amide:sc= -0.497 K(o=-0.5,f=0.64) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 CYS SG : rot 180:sc= -0.36 USER MOD Single : A 29 MET CE :methyl 160:sc= -1.09 (180deg=-2.03!) USER MOD Single : A 31 CYS SG : rot -14:sc= 0.906 USER MOD Single : A 32 LYS NZ :NH3+ 165:sc=-0.00179 (180deg=-0.0834) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -1.65 K(o=-1.7,f=-6.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 57 LYS NZ :NH3+ -153:sc= -0.533 (180deg=-1.25) USER MOD Single : A 58 MET CE :methyl 163:sc= 0 (180deg=-0.327) USER MOD Single : A 63 ASN : amide:sc= -0.0722 K(o=-0.072,f=-1.9!) USER MOD Single : A 66 HIS : no HD1:sc= -2.26 K(o=-2.3,f=-1.5) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.0127 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot -149:sc= 0.82 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot -125:sc= 0.793 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -1.46! C(o=-1.5!,f=-8!) USER MOD Single : A 91 GLN : amide:sc= -5.78! C(o=-5.8!,f=-6.3!) USER MOD Single : A 92 ASN : amide:sc= 0.0509 K(o=0.051,f=-5.9!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 2.065 25.193 1.980 1.00 0.00 N ATOM 60 CA GLY A 7 2.116 24.014 1.135 1.00 0.00 C ATOM 61 C GLY A 7 3.522 23.468 0.986 1.00 0.00 C ATOM 62 O GLY A 7 4.492 24.226 0.977 1.00 0.00 O ATOM 0 HA2 GLY A 7 1.472 23.241 1.555 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.718 24.259 0.150 1.00 0.00 H new ATOM 66 N PHE A 8 3.634 22.149 0.871 1.00 0.00 N ATOM 67 CA PHE A 8 4.933 21.502 0.724 1.00 0.00 C ATOM 68 C PHE A 8 4.873 20.393 -0.323 1.00 0.00 C ATOM 69 O PHE A 8 3.794 19.926 -0.687 1.00 0.00 O ATOM 70 CB PHE A 8 5.395 20.928 2.065 1.00 0.00 C ATOM 71 CG PHE A 8 5.013 21.777 3.244 1.00 0.00 C ATOM 72 CD1 PHE A 8 5.860 22.775 3.699 1.00 0.00 C ATOM 73 CD2 PHE A 8 3.808 21.577 3.897 1.00 0.00 C ATOM 74 CE1 PHE A 8 5.511 23.557 4.784 1.00 0.00 C ATOM 75 CE2 PHE A 8 3.454 22.356 4.982 1.00 0.00 C ATOM 76 CZ PHE A 8 4.306 23.348 5.426 1.00 0.00 C ATOM 0 H PHE A 8 2.841 21.507 0.877 1.00 0.00 H new ATOM 0 HA PHE A 8 5.650 22.253 0.392 1.00 0.00 H new ATOM 0 HB2 PHE A 8 4.969 19.933 2.191 1.00 0.00 H new ATOM 0 HB3 PHE A 8 6.479 20.811 2.047 1.00 0.00 H new ATOM 0 HD1 PHE A 8 6.803 22.944 3.200 1.00 0.00 H new ATOM 0 HD2 PHE A 8 3.137 20.803 3.554 1.00 0.00 H new ATOM 0 HE1 PHE A 8 6.180 24.331 5.130 1.00 0.00 H new ATOM 0 HE2 PHE A 8 2.512 22.189 5.482 1.00 0.00 H new ATOM 0 HZ PHE A 8 4.031 23.959 6.273 1.00 0.00 H new ATOM 86 N ARG A 9 6.041 19.979 -0.804 1.00 0.00 N ATOM 87 CA ARG A 9 6.122 18.927 -1.810 1.00 0.00 C ATOM 88 C ARG A 9 5.896 17.555 -1.183 1.00 0.00 C ATOM 89 O ARG A 9 6.374 17.260 -0.087 1.00 0.00 O ATOM 90 CB ARG A 9 7.484 18.963 -2.507 1.00 0.00 C ATOM 91 CG ARG A 9 7.478 18.327 -3.888 1.00 0.00 C ATOM 92 CD ARG A 9 8.815 18.506 -4.589 1.00 0.00 C ATOM 93 NE ARG A 9 9.081 17.434 -5.544 1.00 0.00 N ATOM 94 CZ ARG A 9 10.131 17.417 -6.357 1.00 0.00 C ATOM 95 NH1 ARG A 9 11.009 18.410 -6.332 1.00 0.00 N ATOM 96 NH2 ARG A 9 10.304 16.406 -7.199 1.00 0.00 N ATOM 0 H ARG A 9 6.943 20.356 -0.513 1.00 0.00 H new ATOM 0 HA ARG A 9 5.339 19.103 -2.547 1.00 0.00 H new ATOM 0 HB2 ARG A 9 7.811 19.999 -2.595 1.00 0.00 H new ATOM 0 HB3 ARG A 9 8.216 18.450 -1.883 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.252 17.264 -3.799 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.687 18.772 -4.491 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.827 19.465 -5.108 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.612 18.536 -3.846 1.00 0.00 H new ATOM 0 HE ARG A 9 8.424 16.655 -5.589 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.879 19.190 -5.687 1.00 0.00 H new ATOM 0 HH12 ARG A 9 11.815 18.394 -6.958 1.00 0.00 H new ATOM 0 HH21 ARG A 9 9.630 15.641 -7.222 1.00 0.00 H new ATOM 0 HH22 ARG A 9 11.111 16.394 -7.823 1.00 0.00 H new ATOM 110 N PRO A 10 5.148 16.696 -1.891 1.00 0.00 N ATOM 111 CA PRO A 10 4.841 15.341 -1.423 1.00 0.00 C ATOM 112 C PRO A 10 6.067 14.433 -1.430 1.00 0.00 C ATOM 113 O PRO A 10 6.720 14.264 -2.460 1.00 0.00 O ATOM 114 CB PRO A 10 3.802 14.844 -2.431 1.00 0.00 C ATOM 115 CG PRO A 10 4.066 15.632 -3.667 1.00 0.00 C ATOM 116 CD PRO A 10 4.546 16.980 -3.204 1.00 0.00 C ATOM 0 HA PRO A 10 4.490 15.336 -0.391 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.907 13.775 -2.613 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.788 15.007 -2.067 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.816 15.143 -4.289 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.163 15.725 -4.271 1.00 0.00 H new ATOM 0 HD2 PRO A 10 5.273 17.407 -3.895 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.725 17.693 -3.124 1.00 0.00 H new ATOM 124 N HIS A 11 6.374 13.852 -0.275 1.00 0.00 N ATOM 125 CA HIS A 11 7.521 12.960 -0.150 1.00 0.00 C ATOM 126 C HIS A 11 7.271 11.899 0.918 1.00 0.00 C ATOM 127 O HIS A 11 7.073 12.218 2.091 1.00 0.00 O ATOM 128 CB HIS A 11 8.779 13.758 0.194 1.00 0.00 C ATOM 129 CG HIS A 11 9.809 12.963 0.936 1.00 0.00 C ATOM 130 ND1 HIS A 11 10.275 11.741 0.499 1.00 0.00 N ATOM 131 CD2 HIS A 11 10.465 13.223 2.091 1.00 0.00 C ATOM 132 CE1 HIS A 11 11.172 11.283 1.355 1.00 0.00 C ATOM 133 NE2 HIS A 11 11.305 12.164 2.330 1.00 0.00 N ATOM 0 H HIS A 11 5.845 13.983 0.587 1.00 0.00 H new ATOM 0 HA HIS A 11 7.667 12.460 -1.107 1.00 0.00 H new ATOM 0 HB2 HIS A 11 9.220 14.139 -0.727 1.00 0.00 H new ATOM 0 HB3 HIS A 11 8.498 14.623 0.795 1.00 0.00 H new ATOM 0 HD2 HIS A 11 10.349 14.101 2.710 1.00 0.00 H new ATOM 0 HE1 HIS A 11 11.705 10.348 1.271 1.00 0.00 H new ATOM 0 HE2 HIS A 11 11.930 12.072 3.131 1.00 0.00 H new ATOM 141 N PHE A 12 7.279 10.636 0.504 1.00 0.00 N ATOM 142 CA PHE A 12 7.051 9.528 1.424 1.00 0.00 C ATOM 143 C PHE A 12 8.198 9.406 2.423 1.00 0.00 C ATOM 144 O PHE A 12 9.293 8.962 2.077 1.00 0.00 O ATOM 145 CB PHE A 12 6.893 8.218 0.650 1.00 0.00 C ATOM 146 CG PHE A 12 5.783 8.251 -0.363 1.00 0.00 C ATOM 147 CD1 PHE A 12 6.018 8.701 -1.652 1.00 0.00 C ATOM 148 CD2 PHE A 12 4.507 7.831 -0.025 1.00 0.00 C ATOM 149 CE1 PHE A 12 4.999 8.732 -2.585 1.00 0.00 C ATOM 150 CE2 PHE A 12 3.484 7.860 -0.954 1.00 0.00 C ATOM 151 CZ PHE A 12 3.731 8.310 -2.236 1.00 0.00 C ATOM 0 H PHE A 12 7.441 10.355 -0.463 1.00 0.00 H new ATOM 0 HA PHE A 12 6.132 9.729 1.975 1.00 0.00 H new ATOM 0 HB2 PHE A 12 7.830 7.989 0.143 1.00 0.00 H new ATOM 0 HB3 PHE A 12 6.707 7.408 1.356 1.00 0.00 H new ATOM 0 HD1 PHE A 12 7.008 9.031 -1.931 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.309 7.477 0.976 1.00 0.00 H new ATOM 0 HE1 PHE A 12 5.194 9.086 -3.587 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.493 7.531 -0.678 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.934 8.332 -2.965 1.00 0.00 H new ATOM 161 N LEU A 13 7.938 9.804 3.664 1.00 0.00 N ATOM 162 CA LEU A 13 8.948 9.740 4.715 1.00 0.00 C ATOM 163 C LEU A 13 9.287 8.293 5.057 1.00 0.00 C ATOM 164 O LEU A 13 10.450 7.953 5.273 1.00 0.00 O ATOM 165 CB LEU A 13 8.457 10.470 5.966 1.00 0.00 C ATOM 166 CG LEU A 13 8.195 11.969 5.810 1.00 0.00 C ATOM 167 CD1 LEU A 13 7.328 12.481 6.949 1.00 0.00 C ATOM 168 CD2 LEU A 13 9.508 12.736 5.750 1.00 0.00 C ATOM 0 H LEU A 13 7.037 10.174 3.967 1.00 0.00 H new ATOM 0 HA LEU A 13 9.851 10.228 4.348 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.536 9.994 6.302 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.195 10.331 6.756 1.00 0.00 H new ATOM 0 HG LEU A 13 7.660 12.129 4.874 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.152 13.549 6.821 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.374 11.953 6.946 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.835 12.308 7.898 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.303 13.801 5.639 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.069 12.569 6.669 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.094 12.389 4.899 1.00 0.00 H new ATOM 180 N GLN A 14 8.264 7.445 5.102 1.00 0.00 N ATOM 181 CA GLN A 14 8.455 6.034 5.416 1.00 0.00 C ATOM 182 C GLN A 14 7.865 5.149 4.323 1.00 0.00 C ATOM 183 O GLN A 14 6.653 5.131 4.112 1.00 0.00 O ATOM 184 CB GLN A 14 7.812 5.699 6.763 1.00 0.00 C ATOM 185 CG GLN A 14 8.247 4.355 7.327 1.00 0.00 C ATOM 186 CD GLN A 14 7.814 4.159 8.767 1.00 0.00 C ATOM 187 OE1 GLN A 14 6.736 3.630 9.037 1.00 0.00 O ATOM 188 NE2 GLN A 14 8.656 4.585 9.701 1.00 0.00 N ATOM 0 H GLN A 14 7.295 7.711 4.925 1.00 0.00 H new ATOM 0 HA GLN A 14 9.526 5.842 5.475 1.00 0.00 H new ATOM 0 HB2 GLN A 14 8.060 6.482 7.480 1.00 0.00 H new ATOM 0 HB3 GLN A 14 6.728 5.703 6.650 1.00 0.00 H new ATOM 0 HG2 GLN A 14 7.830 3.556 6.714 1.00 0.00 H new ATOM 0 HG3 GLN A 14 9.332 4.272 7.263 1.00 0.00 H new ATOM 0 HE21 GLN A 14 9.539 5.018 9.432 1.00 0.00 H new ATOM 0 HE22 GLN A 14 8.419 4.479 10.688 1.00 0.00 H new ATOM 197 N ALA A 15 8.731 4.415 3.632 1.00 0.00 N ATOM 198 CA ALA A 15 8.296 3.526 2.562 1.00 0.00 C ATOM 199 C ALA A 15 8.617 2.072 2.892 1.00 0.00 C ATOM 200 O ALA A 15 9.640 1.760 3.501 1.00 0.00 O ATOM 201 CB ALA A 15 8.947 3.927 1.246 1.00 0.00 C ATOM 0 H ALA A 15 9.738 4.419 3.794 1.00 0.00 H new ATOM 0 HA ALA A 15 7.214 3.618 2.463 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.613 3.255 0.455 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.664 4.950 0.997 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.031 3.864 1.342 1.00 0.00 H new ATOM 207 N PRO A 16 7.722 1.161 2.481 1.00 0.00 N ATOM 208 CA PRO A 16 7.889 -0.276 2.723 1.00 0.00 C ATOM 209 C PRO A 16 9.024 -0.874 1.899 1.00 0.00 C ATOM 210 O PRO A 16 9.792 -0.152 1.265 1.00 0.00 O ATOM 211 CB PRO A 16 6.544 -0.866 2.290 1.00 0.00 C ATOM 212 CG PRO A 16 6.004 0.108 1.300 1.00 0.00 C ATOM 213 CD PRO A 16 6.481 1.462 1.750 1.00 0.00 C ATOM 0 HA PRO A 16 8.149 -0.488 3.760 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.669 -1.853 1.846 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.871 -0.982 3.139 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.361 -0.118 0.295 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.915 0.069 1.267 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.664 2.125 0.904 1.00 0.00 H new ATOM 0 HD3 PRO A 16 5.748 1.954 2.389 1.00 0.00 H new ATOM 221 N GLY A 17 9.123 -2.200 1.913 1.00 0.00 N ATOM 222 CA GLY A 17 10.167 -2.874 1.163 1.00 0.00 C ATOM 223 C GLY A 17 9.731 -4.233 0.653 1.00 0.00 C ATOM 224 O GLY A 17 8.538 -4.534 0.613 1.00 0.00 O ATOM 0 H GLY A 17 8.499 -2.819 2.430 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.463 -2.251 0.319 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.046 -2.992 1.796 1.00 0.00 H new ATOM 228 N ASP A 18 10.698 -5.054 0.260 1.00 0.00 N ATOM 229 CA ASP A 18 10.407 -6.389 -0.250 1.00 0.00 C ATOM 230 C ASP A 18 9.969 -7.319 0.877 1.00 0.00 C ATOM 231 O ASP A 18 10.775 -7.711 1.722 1.00 0.00 O ATOM 232 CB ASP A 18 11.635 -6.967 -0.956 1.00 0.00 C ATOM 233 CG ASP A 18 12.729 -7.363 0.016 1.00 0.00 C ATOM 234 OD1 ASP A 18 13.402 -6.458 0.552 1.00 0.00 O ATOM 235 OD2 ASP A 18 12.911 -8.577 0.241 1.00 0.00 O ATOM 0 H ASP A 18 11.690 -4.819 0.285 1.00 0.00 H new ATOM 0 HA ASP A 18 9.590 -6.307 -0.967 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.338 -7.839 -1.539 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.026 -6.231 -1.659 1.00 0.00 H new ATOM 240 N LEU A 19 8.687 -7.667 0.885 1.00 0.00 N ATOM 241 CA LEU A 19 8.141 -8.550 1.909 1.00 0.00 C ATOM 242 C LEU A 19 7.728 -9.890 1.309 1.00 0.00 C ATOM 243 O LEU A 19 7.583 -10.021 0.093 1.00 0.00 O ATOM 244 CB LEU A 19 6.940 -7.892 2.590 1.00 0.00 C ATOM 245 CG LEU A 19 7.084 -6.405 2.914 1.00 0.00 C ATOM 246 CD1 LEU A 19 5.718 -5.767 3.114 1.00 0.00 C ATOM 247 CD2 LEU A 19 7.951 -6.209 4.149 1.00 0.00 C ATOM 0 H LEU A 19 8.006 -7.351 0.194 1.00 0.00 H new ATOM 0 HA LEU A 19 8.919 -8.729 2.651 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.068 -8.021 1.948 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.735 -8.427 3.517 1.00 0.00 H new ATOM 0 HG LEU A 19 7.571 -5.916 2.071 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.841 -4.709 3.344 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.129 -5.875 2.203 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.203 -6.260 3.939 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.042 -5.144 4.364 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.492 -6.713 4.999 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.941 -6.629 3.969 1.00 0.00 H new ATOM 259 N THR A 20 7.538 -10.885 2.170 1.00 0.00 N ATOM 260 CA THR A 20 7.140 -12.215 1.726 1.00 0.00 C ATOM 261 C THR A 20 5.976 -12.747 2.554 1.00 0.00 C ATOM 262 O THR A 20 6.124 -13.026 3.744 1.00 0.00 O ATOM 263 CB THR A 20 8.313 -13.210 1.812 1.00 0.00 C ATOM 264 OG1 THR A 20 9.471 -12.659 1.175 1.00 0.00 O ATOM 265 CG2 THR A 20 7.950 -14.533 1.156 1.00 0.00 C ATOM 0 H THR A 20 7.653 -10.795 3.179 1.00 0.00 H new ATOM 0 HA THR A 20 6.828 -12.120 0.686 1.00 0.00 H new ATOM 0 HB THR A 20 8.529 -13.391 2.865 1.00 0.00 H new ATOM 0 HG1 THR A 20 10.212 -13.297 1.236 1.00 0.00 H new ATOM 0 HG21 THR A 20 8.794 -15.219 1.229 1.00 0.00 H new ATOM 0 HG22 THR A 20 7.086 -14.965 1.661 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.709 -14.365 0.106 1.00 0.00 H new ATOM 273 N VAL A 21 4.818 -12.885 1.918 1.00 0.00 N ATOM 274 CA VAL A 21 3.628 -13.385 2.596 1.00 0.00 C ATOM 275 C VAL A 21 2.999 -14.539 1.823 1.00 0.00 C ATOM 276 O VAL A 21 2.804 -14.453 0.611 1.00 0.00 O ATOM 277 CB VAL A 21 2.578 -12.273 2.780 1.00 0.00 C ATOM 278 CG1 VAL A 21 1.279 -12.850 3.324 1.00 0.00 C ATOM 279 CG2 VAL A 21 3.112 -11.184 3.698 1.00 0.00 C ATOM 0 H VAL A 21 4.678 -12.658 0.934 1.00 0.00 H new ATOM 0 HA VAL A 21 3.948 -13.739 3.576 1.00 0.00 H new ATOM 0 HB VAL A 21 2.371 -11.828 1.807 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.549 -12.050 3.448 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.890 -13.592 2.626 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.466 -13.322 4.288 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.358 -10.406 3.817 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.348 -11.613 4.672 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.013 -10.752 3.264 1.00 0.00 H new ATOM 289 N GLN A 22 2.684 -15.617 2.533 1.00 0.00 N ATOM 290 CA GLN A 22 2.077 -16.789 1.913 1.00 0.00 C ATOM 291 C GLN A 22 0.631 -16.509 1.517 1.00 0.00 C ATOM 292 O GLN A 22 -0.012 -15.620 2.074 1.00 0.00 O ATOM 293 CB GLN A 22 2.135 -17.984 2.866 1.00 0.00 C ATOM 294 CG GLN A 22 2.197 -19.327 2.156 1.00 0.00 C ATOM 295 CD GLN A 22 2.256 -20.495 3.121 1.00 0.00 C ATOM 296 OE1 GLN A 22 2.065 -20.330 4.326 1.00 0.00 O ATOM 297 NE2 GLN A 22 2.523 -21.685 2.594 1.00 0.00 N ATOM 0 H GLN A 22 2.839 -15.703 3.537 1.00 0.00 H new ATOM 0 HA GLN A 22 2.642 -17.025 1.011 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.009 -17.882 3.510 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.258 -17.965 3.513 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.323 -19.435 1.514 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.073 -19.351 1.508 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.674 -21.775 1.589 1.00 0.00 H new ATOM 0 HE22 GLN A 22 2.576 -22.508 3.194 1.00 0.00 H new ATOM 306 N GLU A 23 0.128 -17.273 0.553 1.00 0.00 N ATOM 307 CA GLU A 23 -1.242 -17.104 0.082 1.00 0.00 C ATOM 308 C GLU A 23 -2.242 -17.486 1.170 1.00 0.00 C ATOM 309 O GLU A 23 -2.109 -18.527 1.813 1.00 0.00 O ATOM 310 CB GLU A 23 -1.483 -17.952 -1.168 1.00 0.00 C ATOM 311 CG GLU A 23 -2.856 -17.747 -1.787 1.00 0.00 C ATOM 312 CD GLU A 23 -3.911 -18.651 -1.181 1.00 0.00 C ATOM 313 OE1 GLU A 23 -3.654 -19.868 -1.067 1.00 0.00 O ATOM 314 OE2 GLU A 23 -4.993 -18.143 -0.821 1.00 0.00 O ATOM 0 H GLU A 23 0.648 -18.014 0.083 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.387 -16.053 -0.168 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.720 -17.716 -1.910 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.363 -19.005 -0.912 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.157 -16.707 -1.658 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.798 -17.931 -2.860 1.00 0.00 H new ATOM 321 N GLY A 24 -3.243 -16.635 1.371 1.00 0.00 N ATOM 322 CA GLY A 24 -4.251 -16.899 2.382 1.00 0.00 C ATOM 323 C GLY A 24 -3.823 -16.437 3.761 1.00 0.00 C ATOM 324 O GLY A 24 -4.396 -16.853 4.768 1.00 0.00 O ATOM 0 H GLY A 24 -3.374 -15.767 0.852 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.179 -16.398 2.106 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.463 -17.968 2.410 1.00 0.00 H new ATOM 328 N LYS A 25 -2.813 -15.575 3.808 1.00 0.00 N ATOM 329 CA LYS A 25 -2.308 -15.056 5.073 1.00 0.00 C ATOM 330 C LYS A 25 -2.600 -13.564 5.204 1.00 0.00 C ATOM 331 O LYS A 25 -3.081 -12.931 4.264 1.00 0.00 O ATOM 332 CB LYS A 25 -0.802 -15.304 5.185 1.00 0.00 C ATOM 333 CG LYS A 25 -0.432 -16.774 5.269 1.00 0.00 C ATOM 334 CD LYS A 25 -0.780 -17.360 6.628 1.00 0.00 C ATOM 335 CE LYS A 25 -0.716 -18.880 6.612 1.00 0.00 C ATOM 336 NZ LYS A 25 0.687 -19.375 6.557 1.00 0.00 N ATOM 0 H LYS A 25 -2.328 -15.221 2.984 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.817 -15.580 5.882 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.304 -14.862 4.322 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.423 -14.792 6.069 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.955 -17.327 4.489 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.635 -16.893 5.083 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.091 -16.974 7.379 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.781 -17.040 6.918 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.205 -19.274 7.503 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.268 -19.258 5.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.791 -20.194 7.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.917 -19.658 5.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.334 -18.619 6.860 1.00 0.00 H new ATOM 350 N LEU A 26 -2.305 -13.009 6.374 1.00 0.00 N ATOM 351 CA LEU A 26 -2.534 -11.591 6.628 1.00 0.00 C ATOM 352 C LEU A 26 -1.382 -10.749 6.090 1.00 0.00 C ATOM 353 O LEU A 26 -0.215 -11.020 6.376 1.00 0.00 O ATOM 354 CB LEU A 26 -2.706 -11.342 8.127 1.00 0.00 C ATOM 355 CG LEU A 26 -2.911 -9.886 8.547 1.00 0.00 C ATOM 356 CD1 LEU A 26 -1.609 -9.108 8.425 1.00 0.00 C ATOM 357 CD2 LEU A 26 -4.002 -9.237 7.708 1.00 0.00 C ATOM 0 H LEU A 26 -1.907 -13.519 7.162 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.447 -11.297 6.110 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.560 -11.923 8.476 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.826 -11.727 8.642 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.225 -9.869 9.591 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.773 -8.074 8.728 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.854 -9.559 9.069 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.266 -9.133 7.391 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.134 -8.201 8.021 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.717 -9.265 6.656 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.937 -9.779 7.845 1.00 0.00 H new ATOM 369 N CYS A 27 -1.717 -9.726 5.312 1.00 0.00 N ATOM 370 CA CYS A 27 -0.711 -8.842 4.734 1.00 0.00 C ATOM 371 C CYS A 27 -0.984 -7.389 5.109 1.00 0.00 C ATOM 372 O CYS A 27 -2.029 -6.836 4.768 1.00 0.00 O ATOM 373 CB CYS A 27 -0.682 -8.992 3.213 1.00 0.00 C ATOM 374 SG CYS A 27 0.042 -7.581 2.345 1.00 0.00 S ATOM 0 H CYS A 27 -2.678 -9.488 5.067 1.00 0.00 H new ATOM 0 HA CYS A 27 0.261 -9.126 5.138 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.119 -9.890 2.958 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.700 -9.142 2.854 1.00 0.00 H new ATOM 0 HG CYS A 27 0.023 -7.803 1.064 1.00 0.00 H new ATOM 380 N ARG A 28 -0.038 -6.777 5.814 1.00 0.00 N ATOM 381 CA ARG A 28 -0.177 -5.389 6.237 1.00 0.00 C ATOM 382 C ARG A 28 0.856 -4.503 5.547 1.00 0.00 C ATOM 383 O ARG A 28 1.884 -4.986 5.074 1.00 0.00 O ATOM 384 CB ARG A 28 -0.026 -5.279 7.756 1.00 0.00 C ATOM 385 CG ARG A 28 -0.794 -4.116 8.362 1.00 0.00 C ATOM 386 CD ARG A 28 -1.071 -4.341 9.840 1.00 0.00 C ATOM 387 NE ARG A 28 0.012 -3.838 10.682 1.00 0.00 N ATOM 388 CZ ARG A 28 -0.085 -3.702 12.000 1.00 0.00 C ATOM 389 NH1 ARG A 28 -1.208 -4.029 12.623 1.00 0.00 N ATOM 390 NH2 ARG A 28 0.944 -3.237 12.697 1.00 0.00 N ATOM 0 H ARG A 28 0.833 -7.221 6.104 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.172 -5.047 5.951 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.367 -6.207 8.215 1.00 0.00 H new ATOM 0 HB3 ARG A 28 1.031 -5.172 8.001 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -0.224 -3.196 8.234 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.736 -3.984 7.830 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.003 -3.846 10.114 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.209 -5.406 10.025 1.00 0.00 H new ATOM 0 HE ARG A 28 0.890 -3.577 10.234 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.001 -4.386 12.090 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.279 -3.923 13.635 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.810 -2.984 12.221 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.869 -3.133 13.709 1.00 0.00 H new ATOM 404 N MET A 29 0.574 -3.206 5.494 1.00 0.00 N ATOM 405 CA MET A 29 1.479 -2.253 4.863 1.00 0.00 C ATOM 406 C MET A 29 1.360 -0.878 5.512 1.00 0.00 C ATOM 407 O MET A 29 0.266 -0.443 5.871 1.00 0.00 O ATOM 408 CB MET A 29 1.183 -2.150 3.365 1.00 0.00 C ATOM 409 CG MET A 29 1.893 -3.204 2.532 1.00 0.00 C ATOM 410 SD MET A 29 2.192 -2.663 0.838 1.00 0.00 S ATOM 411 CE MET A 29 0.820 -3.440 -0.013 1.00 0.00 C ATOM 0 H MET A 29 -0.274 -2.791 5.880 1.00 0.00 H new ATOM 0 HA MET A 29 2.499 -2.613 5.001 1.00 0.00 H new ATOM 0 HB2 MET A 29 0.108 -2.238 3.208 1.00 0.00 H new ATOM 0 HB3 MET A 29 1.476 -1.161 3.012 1.00 0.00 H new ATOM 0 HG2 MET A 29 2.844 -3.454 3.003 1.00 0.00 H new ATOM 0 HG3 MET A 29 1.295 -4.115 2.518 1.00 0.00 H new ATOM 0 HE1 MET A 29 0.650 -2.937 -0.965 1.00 0.00 H new ATOM 0 HE2 MET A 29 1.052 -4.490 -0.194 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.077 -3.367 0.601 1.00 0.00 H new ATOM 421 N ASP A 30 2.492 -0.198 5.659 1.00 0.00 N ATOM 422 CA ASP A 30 2.515 1.129 6.265 1.00 0.00 C ATOM 423 C ASP A 30 3.433 2.066 5.487 1.00 0.00 C ATOM 424 O ASP A 30 4.520 1.673 5.060 1.00 0.00 O ATOM 425 CB ASP A 30 2.971 1.040 7.722 1.00 0.00 C ATOM 426 CG ASP A 30 4.469 0.841 7.848 1.00 0.00 C ATOM 427 OD1 ASP A 30 4.920 -0.323 7.803 1.00 0.00 O ATOM 428 OD2 ASP A 30 5.191 1.850 7.990 1.00 0.00 O ATOM 0 H ASP A 30 3.406 -0.544 5.367 1.00 0.00 H new ATOM 0 HA ASP A 30 1.503 1.533 6.234 1.00 0.00 H new ATOM 0 HB2 ASP A 30 2.683 1.951 8.246 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.455 0.214 8.211 1.00 0.00 H new ATOM 433 N CYS A 31 2.989 3.304 5.305 1.00 0.00 N ATOM 434 CA CYS A 31 3.770 4.297 4.576 1.00 0.00 C ATOM 435 C CYS A 31 3.380 5.711 4.996 1.00 0.00 C ATOM 436 O CYS A 31 2.197 6.040 5.083 1.00 0.00 O ATOM 437 CB CYS A 31 3.572 4.127 3.069 1.00 0.00 C ATOM 438 SG CYS A 31 1.840 4.066 2.555 1.00 0.00 S ATOM 0 H CYS A 31 2.092 3.645 5.652 1.00 0.00 H new ATOM 0 HA CYS A 31 4.822 4.143 4.816 1.00 0.00 H new ATOM 0 HB2 CYS A 31 4.064 4.952 2.553 1.00 0.00 H new ATOM 0 HB3 CYS A 31 4.067 3.210 2.749 1.00 0.00 H new ATOM 0 HG CYS A 31 1.084 3.881 3.597 1.00 0.00 H new ATOM 444 N LYS A 32 4.383 6.543 5.257 1.00 0.00 N ATOM 445 CA LYS A 32 4.147 7.921 5.668 1.00 0.00 C ATOM 446 C LYS A 32 4.467 8.890 4.534 1.00 0.00 C ATOM 447 O LYS A 32 5.463 8.729 3.829 1.00 0.00 O ATOM 448 CB LYS A 32 4.993 8.260 6.897 1.00 0.00 C ATOM 449 CG LYS A 32 4.834 9.696 7.368 1.00 0.00 C ATOM 450 CD LYS A 32 5.531 9.927 8.698 1.00 0.00 C ATOM 451 CE LYS A 32 4.850 11.024 9.502 1.00 0.00 C ATOM 452 NZ LYS A 32 3.556 10.566 10.079 1.00 0.00 N ATOM 0 H LYS A 32 5.368 6.286 5.191 1.00 0.00 H new ATOM 0 HA LYS A 32 3.092 8.022 5.922 1.00 0.00 H new ATOM 0 HB2 LYS A 32 4.722 7.587 7.711 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.042 8.076 6.667 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.244 10.373 6.619 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.774 9.933 7.466 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.534 9.001 9.274 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.572 10.197 8.522 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.511 11.349 10.305 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.676 11.889 8.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.248 11.234 10.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.837 10.522 9.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.677 9.622 10.497 1.00 0.00 H new ATOM 466 N VAL A 33 3.617 9.898 4.365 1.00 0.00 N ATOM 467 CA VAL A 33 3.811 10.894 3.318 1.00 0.00 C ATOM 468 C VAL A 33 3.405 12.283 3.799 1.00 0.00 C ATOM 469 O VAL A 33 2.304 12.475 4.315 1.00 0.00 O ATOM 470 CB VAL A 33 3.004 10.545 2.054 1.00 0.00 C ATOM 471 CG1 VAL A 33 1.529 10.388 2.388 1.00 0.00 C ATOM 472 CG2 VAL A 33 3.207 11.606 0.983 1.00 0.00 C ATOM 0 H VAL A 33 2.787 10.046 4.940 1.00 0.00 H new ATOM 0 HA VAL A 33 4.873 10.893 3.073 1.00 0.00 H new ATOM 0 HB VAL A 33 3.366 9.594 1.664 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.975 10.142 1.482 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.404 9.589 3.118 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.149 11.321 2.803 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.629 11.343 0.097 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.873 12.573 1.360 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.264 11.663 0.723 1.00 0.00 H new ATOM 482 N SER A 34 4.302 13.249 3.627 1.00 0.00 N ATOM 483 CA SER A 34 4.038 14.620 4.046 1.00 0.00 C ATOM 484 C SER A 34 3.471 15.442 2.892 1.00 0.00 C ATOM 485 O SER A 34 3.477 15.004 1.743 1.00 0.00 O ATOM 486 CB SER A 34 5.320 15.271 4.569 1.00 0.00 C ATOM 487 OG SER A 34 5.026 16.357 5.430 1.00 0.00 O ATOM 0 H SER A 34 5.218 13.107 3.200 1.00 0.00 H new ATOM 0 HA SER A 34 3.299 14.593 4.847 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.916 14.531 5.103 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.922 15.620 3.730 1.00 0.00 H new ATOM 0 HG SER A 34 5.862 16.755 5.752 1.00 0.00 H new ATOM 493 N GLY A 35 2.982 16.637 3.210 1.00 0.00 N ATOM 494 CA GLY A 35 2.417 17.501 2.190 1.00 0.00 C ATOM 495 C GLY A 35 1.173 18.223 2.666 1.00 0.00 C ATOM 496 O GLY A 35 0.358 17.657 3.397 1.00 0.00 O ATOM 0 H GLY A 35 2.967 17.022 4.155 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.164 18.234 1.884 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.174 16.907 1.309 1.00 0.00 H new ATOM 500 N LEU A 36 1.024 19.477 2.254 1.00 0.00 N ATOM 501 CA LEU A 36 -0.131 20.279 2.644 1.00 0.00 C ATOM 502 C LEU A 36 -0.711 21.019 1.443 1.00 0.00 C ATOM 503 O LEU A 36 -0.020 21.765 0.749 1.00 0.00 O ATOM 504 CB LEU A 36 0.263 21.280 3.732 1.00 0.00 C ATOM 505 CG LEU A 36 -0.861 22.170 4.264 1.00 0.00 C ATOM 506 CD1 LEU A 36 -1.651 21.446 5.343 1.00 0.00 C ATOM 507 CD2 LEU A 36 -0.296 23.478 4.800 1.00 0.00 C ATOM 0 H LEU A 36 1.688 19.961 1.650 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.894 19.606 3.036 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.689 20.727 4.569 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.052 21.921 3.339 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.538 22.399 3.441 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.446 22.095 5.709 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.087 20.538 4.927 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.987 21.185 6.167 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.109 24.099 5.175 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.403 23.268 5.610 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.224 24.005 4.000 1.00 0.00 H new ATOM 519 N PRO A 37 -2.012 20.811 1.192 1.00 0.00 N ATOM 520 CA PRO A 37 -2.845 19.925 2.010 1.00 0.00 C ATOM 521 C PRO A 37 -2.475 18.456 1.834 1.00 0.00 C ATOM 522 O PRO A 37 -1.543 18.123 1.102 1.00 0.00 O ATOM 523 CB PRO A 37 -4.260 20.187 1.489 1.00 0.00 C ATOM 524 CG PRO A 37 -4.067 20.663 0.091 1.00 0.00 C ATOM 525 CD PRO A 37 -2.770 21.425 0.088 1.00 0.00 C ATOM 0 HA PRO A 37 -2.726 20.122 3.075 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.867 19.282 1.519 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.773 20.934 2.094 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.029 19.825 -0.605 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.894 21.300 -0.222 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.247 21.325 -0.863 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.929 22.491 0.254 1.00 0.00 H new ATOM 533 N THR A 38 -3.213 17.580 2.510 1.00 0.00 N ATOM 534 CA THR A 38 -2.962 16.147 2.429 1.00 0.00 C ATOM 535 C THR A 38 -2.753 15.707 0.984 1.00 0.00 C ATOM 536 O THR A 38 -3.592 15.933 0.113 1.00 0.00 O ATOM 537 CB THR A 38 -4.124 15.338 3.037 1.00 0.00 C ATOM 538 OG1 THR A 38 -4.226 15.607 4.440 1.00 0.00 O ATOM 539 CG2 THR A 38 -3.920 13.847 2.814 1.00 0.00 C ATOM 0 H THR A 38 -3.989 17.839 3.119 1.00 0.00 H new ATOM 0 HA THR A 38 -2.055 15.952 3.001 1.00 0.00 H new ATOM 0 HB THR A 38 -5.047 15.640 2.542 1.00 0.00 H new ATOM 0 HG1 THR A 38 -4.968 15.091 4.819 1.00 0.00 H new ATOM 0 HG21 THR A 38 -4.753 13.296 3.252 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.872 13.642 1.744 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.989 13.533 3.286 1.00 0.00 H new ATOM 547 N PRO A 39 -1.606 15.061 0.722 1.00 0.00 N ATOM 548 CA PRO A 39 -1.261 14.574 -0.616 1.00 0.00 C ATOM 549 C PRO A 39 -2.134 13.402 -1.050 1.00 0.00 C ATOM 550 O PRO A 39 -2.151 12.355 -0.403 1.00 0.00 O ATOM 551 CB PRO A 39 0.196 14.128 -0.466 1.00 0.00 C ATOM 552 CG PRO A 39 0.347 13.806 0.980 1.00 0.00 C ATOM 553 CD PRO A 39 -0.560 14.756 1.713 1.00 0.00 C ATOM 0 HA PRO A 39 -1.412 15.338 -1.379 1.00 0.00 H new ATOM 0 HB2 PRO A 39 0.410 13.260 -1.089 1.00 0.00 H new ATOM 0 HB3 PRO A 39 0.885 14.916 -0.770 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.071 12.771 1.180 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.381 13.928 1.301 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -0.978 14.301 2.611 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.030 15.655 2.028 1.00 0.00 H new ATOM 561 N ASP A 40 -2.859 13.585 -2.149 1.00 0.00 N ATOM 562 CA ASP A 40 -3.734 12.541 -2.670 1.00 0.00 C ATOM 563 C ASP A 40 -2.931 11.481 -3.418 1.00 0.00 C ATOM 564 O ASP A 40 -2.455 11.717 -4.529 1.00 0.00 O ATOM 565 CB ASP A 40 -4.789 13.147 -3.597 1.00 0.00 C ATOM 566 CG ASP A 40 -5.630 14.202 -2.905 1.00 0.00 C ATOM 567 OD1 ASP A 40 -5.853 14.076 -1.683 1.00 0.00 O ATOM 568 OD2 ASP A 40 -6.064 15.154 -3.586 1.00 0.00 O ATOM 0 H ASP A 40 -2.858 14.446 -2.696 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.233 12.064 -1.826 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.297 13.589 -4.463 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.439 12.355 -3.970 1.00 0.00 H new ATOM 573 N LEU A 41 -2.782 10.315 -2.800 1.00 0.00 N ATOM 574 CA LEU A 41 -2.034 9.218 -3.406 1.00 0.00 C ATOM 575 C LEU A 41 -2.976 8.119 -3.888 1.00 0.00 C ATOM 576 O LEU A 41 -4.052 7.918 -3.325 1.00 0.00 O ATOM 577 CB LEU A 41 -1.031 8.643 -2.405 1.00 0.00 C ATOM 578 CG LEU A 41 -1.592 8.270 -1.032 1.00 0.00 C ATOM 579 CD1 LEU A 41 -0.803 7.119 -0.428 1.00 0.00 C ATOM 580 CD2 LEU A 41 -1.576 9.475 -0.104 1.00 0.00 C ATOM 0 H LEU A 41 -3.169 10.104 -1.880 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.493 9.612 -4.266 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.579 7.754 -2.844 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.232 9.370 -2.263 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.626 7.948 -1.158 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.216 6.867 0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.867 6.251 -1.084 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.241 7.413 -0.315 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.979 9.191 0.868 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.552 9.828 0.017 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.186 10.271 -0.531 1.00 0.00 H new ATOM 592 N SER A 42 -2.562 7.408 -4.933 1.00 0.00 N ATOM 593 CA SER A 42 -3.369 6.330 -5.492 1.00 0.00 C ATOM 594 C SER A 42 -2.595 5.015 -5.489 1.00 0.00 C ATOM 595 O SER A 42 -1.365 5.006 -5.539 1.00 0.00 O ATOM 596 CB SER A 42 -3.804 6.676 -6.917 1.00 0.00 C ATOM 597 OG SER A 42 -4.801 5.781 -7.378 1.00 0.00 O ATOM 0 H SER A 42 -1.673 7.559 -5.409 1.00 0.00 H new ATOM 0 HA SER A 42 -4.255 6.212 -4.868 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.186 7.697 -6.946 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.942 6.639 -7.583 1.00 0.00 H new ATOM 0 HG SER A 42 -5.063 6.025 -8.290 1.00 0.00 H new ATOM 603 N TRP A 43 -3.325 3.907 -5.430 1.00 0.00 N ATOM 604 CA TRP A 43 -2.708 2.586 -5.421 1.00 0.00 C ATOM 605 C TRP A 43 -2.847 1.911 -6.781 1.00 0.00 C ATOM 606 O TRP A 43 -3.957 1.713 -7.274 1.00 0.00 O ATOM 607 CB TRP A 43 -3.342 1.712 -4.337 1.00 0.00 C ATOM 608 CG TRP A 43 -3.121 2.234 -2.949 1.00 0.00 C ATOM 609 CD1 TRP A 43 -3.922 3.101 -2.263 1.00 0.00 C ATOM 610 CD2 TRP A 43 -2.027 1.922 -2.081 1.00 0.00 C ATOM 611 NE1 TRP A 43 -3.391 3.348 -1.020 1.00 0.00 N ATOM 612 CE2 TRP A 43 -2.229 2.635 -0.883 1.00 0.00 C ATOM 613 CE3 TRP A 43 -0.897 1.108 -2.197 1.00 0.00 C ATOM 614 CZ2 TRP A 43 -1.342 2.559 0.188 1.00 0.00 C ATOM 615 CZ3 TRP A 43 -0.018 1.033 -1.133 1.00 0.00 C ATOM 616 CH2 TRP A 43 -0.245 1.754 0.047 1.00 0.00 C ATOM 0 H TRP A 43 -4.344 3.897 -5.388 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.647 2.709 -5.204 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.413 1.635 -4.522 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.933 0.704 -4.408 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.838 3.530 -2.642 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -3.796 3.962 -0.314 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.714 0.548 -3.102 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -1.514 3.116 1.097 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 0.859 0.408 -1.212 1.00 0.00 H new ATOM 0 HH2 TRP A 43 0.460 1.673 0.861 1.00 0.00 H new ATOM 627 N GLN A 44 -1.714 1.559 -7.381 1.00 0.00 N ATOM 628 CA GLN A 44 -1.711 0.906 -8.684 1.00 0.00 C ATOM 629 C GLN A 44 -1.066 -0.473 -8.601 1.00 0.00 C ATOM 630 O GLN A 44 -0.007 -0.639 -7.993 1.00 0.00 O ATOM 631 CB GLN A 44 -0.970 1.768 -9.708 1.00 0.00 C ATOM 632 CG GLN A 44 -1.790 2.941 -10.223 1.00 0.00 C ATOM 633 CD GLN A 44 -1.683 4.163 -9.332 1.00 0.00 C ATOM 634 OE1 GLN A 44 -1.223 4.077 -8.193 1.00 0.00 O ATOM 635 NE2 GLN A 44 -2.108 5.311 -9.848 1.00 0.00 N ATOM 0 H GLN A 44 -0.787 1.715 -6.985 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.746 0.784 -9.003 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.053 2.147 -9.256 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.675 1.143 -10.551 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.457 3.199 -11.228 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.836 2.643 -10.300 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.482 5.336 -10.797 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.060 6.167 -9.296 1.00 0.00 H new ATOM 644 N LEU A 45 -1.709 -1.460 -9.216 1.00 0.00 N ATOM 645 CA LEU A 45 -1.197 -2.826 -9.211 1.00 0.00 C ATOM 646 C LEU A 45 -1.029 -3.349 -10.634 1.00 0.00 C ATOM 647 O LEU A 45 -2.005 -3.511 -11.366 1.00 0.00 O ATOM 648 CB LEU A 45 -2.139 -3.741 -8.428 1.00 0.00 C ATOM 649 CG LEU A 45 -1.853 -5.240 -8.524 1.00 0.00 C ATOM 650 CD1 LEU A 45 -0.490 -5.563 -7.932 1.00 0.00 C ATOM 651 CD2 LEU A 45 -2.943 -6.038 -7.823 1.00 0.00 C ATOM 0 H LEU A 45 -2.585 -1.340 -9.724 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.220 -2.820 -8.727 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.104 -3.452 -7.378 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.157 -3.563 -8.774 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.845 -5.521 -9.577 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.304 -6.634 -8.009 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.282 -5.021 -8.478 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.469 -5.266 -6.883 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.722 -7.103 -7.902 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.984 -5.753 -6.772 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.905 -5.831 -8.293 1.00 0.00 H new ATOM 663 N ASP A 46 0.215 -3.613 -11.018 1.00 0.00 N ATOM 664 CA ASP A 46 0.512 -4.121 -12.353 1.00 0.00 C ATOM 665 C ASP A 46 -0.094 -3.220 -13.424 1.00 0.00 C ATOM 666 O ASP A 46 -0.416 -3.674 -14.522 1.00 0.00 O ATOM 667 CB ASP A 46 -0.018 -5.547 -12.508 1.00 0.00 C ATOM 668 CG ASP A 46 0.790 -6.361 -13.500 1.00 0.00 C ATOM 669 OD1 ASP A 46 1.865 -6.868 -13.115 1.00 0.00 O ATOM 670 OD2 ASP A 46 0.348 -6.490 -14.660 1.00 0.00 O ATOM 0 H ASP A 46 1.034 -3.484 -10.424 1.00 0.00 H new ATOM 0 HA ASP A 46 1.595 -4.128 -12.480 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -0.004 -6.044 -11.538 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.058 -5.512 -12.833 1.00 0.00 H new ATOM 675 N GLY A 47 -0.248 -1.941 -13.097 1.00 0.00 N ATOM 676 CA GLY A 47 -0.817 -0.997 -14.042 1.00 0.00 C ATOM 677 C GLY A 47 -2.333 -1.010 -14.033 1.00 0.00 C ATOM 678 O GLY A 47 -2.968 -0.956 -15.086 1.00 0.00 O ATOM 0 H GLY A 47 0.011 -1.541 -12.195 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.464 0.007 -13.805 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.461 -1.232 -15.045 1.00 0.00 H new ATOM 682 N LYS A 48 -2.915 -1.083 -12.841 1.00 0.00 N ATOM 683 CA LYS A 48 -4.366 -1.104 -12.698 1.00 0.00 C ATOM 684 C LYS A 48 -4.791 -0.478 -11.374 1.00 0.00 C ATOM 685 O LYS A 48 -4.158 -0.673 -10.336 1.00 0.00 O ATOM 686 CB LYS A 48 -4.888 -2.540 -12.787 1.00 0.00 C ATOM 687 CG LYS A 48 -4.497 -3.251 -14.071 1.00 0.00 C ATOM 688 CD LYS A 48 -4.909 -4.713 -14.047 1.00 0.00 C ATOM 689 CE LYS A 48 -3.960 -5.545 -13.198 1.00 0.00 C ATOM 690 NZ LYS A 48 -3.888 -6.956 -13.669 1.00 0.00 N ATOM 0 H LYS A 48 -2.404 -1.129 -11.959 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.795 -0.518 -13.511 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.510 -3.108 -11.937 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.975 -2.528 -12.705 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.966 -2.754 -14.920 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.419 -3.178 -14.214 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.922 -4.800 -13.654 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.927 -5.104 -15.064 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.965 -5.102 -13.225 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.290 -5.525 -12.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.231 -7.490 -13.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.833 -7.387 -13.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.549 -6.977 -14.652 1.00 0.00 H new ATOM 704 N PRO A 49 -5.890 0.290 -11.407 1.00 0.00 N ATOM 705 CA PRO A 49 -6.425 0.958 -10.216 1.00 0.00 C ATOM 706 C PRO A 49 -7.025 -0.028 -9.219 1.00 0.00 C ATOM 707 O PRO A 49 -8.148 -0.501 -9.397 1.00 0.00 O ATOM 708 CB PRO A 49 -7.513 1.874 -10.783 1.00 0.00 C ATOM 709 CG PRO A 49 -7.929 1.226 -12.057 1.00 0.00 C ATOM 710 CD PRO A 49 -6.695 0.566 -12.608 1.00 0.00 C ATOM 0 HA PRO A 49 -5.650 1.486 -9.661 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -8.352 1.966 -10.093 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -7.132 2.880 -10.957 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -8.718 0.495 -11.883 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.324 1.961 -12.758 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.936 -0.349 -13.149 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -6.167 1.218 -13.304 1.00 0.00 H new ATOM 718 N VAL A 50 -6.270 -0.333 -8.169 1.00 0.00 N ATOM 719 CA VAL A 50 -6.728 -1.261 -7.142 1.00 0.00 C ATOM 720 C VAL A 50 -7.884 -0.670 -6.343 1.00 0.00 C ATOM 721 O VAL A 50 -7.742 0.372 -5.704 1.00 0.00 O ATOM 722 CB VAL A 50 -5.589 -1.635 -6.175 1.00 0.00 C ATOM 723 CG1 VAL A 50 -4.761 -0.408 -5.825 1.00 0.00 C ATOM 724 CG2 VAL A 50 -6.149 -2.287 -4.919 1.00 0.00 C ATOM 0 H VAL A 50 -5.338 0.049 -8.007 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.068 -2.160 -7.657 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.937 -2.354 -6.670 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.961 -0.692 -5.141 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.329 0.011 -6.734 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.398 0.337 -5.349 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.330 -2.545 -4.247 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.824 -1.593 -4.419 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.694 -3.191 -5.190 1.00 0.00 H new ATOM 734 N ARG A 51 -9.029 -1.344 -6.384 1.00 0.00 N ATOM 735 CA ARG A 51 -10.211 -0.885 -5.664 1.00 0.00 C ATOM 736 C ARG A 51 -10.405 -1.678 -4.375 1.00 0.00 C ATOM 737 O ARG A 51 -10.064 -2.858 -4.286 1.00 0.00 O ATOM 738 CB ARG A 51 -11.454 -1.014 -6.547 1.00 0.00 C ATOM 739 CG ARG A 51 -11.587 0.095 -7.578 1.00 0.00 C ATOM 740 CD ARG A 51 -12.986 0.138 -8.172 1.00 0.00 C ATOM 741 NE ARG A 51 -13.905 0.922 -7.352 1.00 0.00 N ATOM 742 CZ ARG A 51 -15.170 1.157 -7.685 1.00 0.00 C ATOM 743 NH1 ARG A 51 -15.662 0.669 -8.815 1.00 0.00 N ATOM 744 NH2 ARG A 51 -15.944 1.880 -6.887 1.00 0.00 N ATOM 0 H ARG A 51 -9.163 -2.209 -6.908 1.00 0.00 H new ATOM 0 HA ARG A 51 -10.064 0.164 -5.406 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.426 -1.975 -7.061 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -12.341 -1.017 -5.913 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -11.358 1.054 -7.114 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.857 -0.057 -8.373 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -12.941 0.564 -9.174 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -13.368 -0.878 -8.274 1.00 0.00 H new ATOM 0 HE ARG A 51 -13.557 1.311 -6.475 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -15.069 0.112 -9.431 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -16.633 0.850 -9.069 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -15.569 2.256 -6.017 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -16.915 2.060 -7.144 1.00 0.00 H new ATOM 758 N PRO A 52 -10.966 -1.017 -3.352 1.00 0.00 N ATOM 759 CA PRO A 52 -11.217 -1.641 -2.049 1.00 0.00 C ATOM 760 C PRO A 52 -12.328 -2.684 -2.111 1.00 0.00 C ATOM 761 O PRO A 52 -13.427 -2.407 -2.591 1.00 0.00 O ATOM 762 CB PRO A 52 -11.639 -0.463 -1.167 1.00 0.00 C ATOM 763 CG PRO A 52 -12.188 0.544 -2.118 1.00 0.00 C ATOM 764 CD PRO A 52 -11.397 0.390 -3.387 1.00 0.00 C ATOM 0 HA PRO A 52 -10.343 -2.177 -1.679 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.387 -0.765 -0.434 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.792 -0.062 -0.611 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -13.250 0.374 -2.297 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -12.090 1.553 -1.717 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -12.004 0.602 -4.267 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.546 1.070 -3.415 1.00 0.00 H new ATOM 772 N ASP A 53 -12.033 -3.884 -1.623 1.00 0.00 N ATOM 773 CA ASP A 53 -13.008 -4.969 -1.622 1.00 0.00 C ATOM 774 C ASP A 53 -12.938 -5.761 -0.320 1.00 0.00 C ATOM 775 O ASP A 53 -12.087 -5.501 0.532 1.00 0.00 O ATOM 776 CB ASP A 53 -12.769 -5.899 -2.812 1.00 0.00 C ATOM 777 CG ASP A 53 -13.222 -5.289 -4.124 1.00 0.00 C ATOM 778 OD1 ASP A 53 -12.768 -4.172 -4.446 1.00 0.00 O ATOM 779 OD2 ASP A 53 -14.033 -5.928 -4.827 1.00 0.00 O ATOM 0 H ASP A 53 -11.127 -4.130 -1.223 1.00 0.00 H new ATOM 0 HA ASP A 53 -14.002 -4.531 -1.707 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -11.708 -6.140 -2.874 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.299 -6.837 -2.649 1.00 0.00 H new ATOM 784 N SER A 54 -13.838 -6.727 -0.171 1.00 0.00 N ATOM 785 CA SER A 54 -13.882 -7.554 1.029 1.00 0.00 C ATOM 786 C SER A 54 -12.478 -7.988 1.441 1.00 0.00 C ATOM 787 O SER A 54 -12.226 -8.283 2.609 1.00 0.00 O ATOM 788 CB SER A 54 -14.760 -8.785 0.795 1.00 0.00 C ATOM 789 OG SER A 54 -14.146 -9.685 -0.111 1.00 0.00 O ATOM 0 H SER A 54 -14.547 -6.957 -0.867 1.00 0.00 H new ATOM 0 HA SER A 54 -14.311 -6.959 1.835 1.00 0.00 H new ATOM 0 HB2 SER A 54 -14.945 -9.289 1.744 1.00 0.00 H new ATOM 0 HB3 SER A 54 -15.729 -8.475 0.404 1.00 0.00 H new ATOM 0 HG SER A 54 -14.726 -10.464 -0.242 1.00 0.00 H new ATOM 795 N ALA A 55 -11.569 -8.023 0.473 1.00 0.00 N ATOM 796 CA ALA A 55 -10.190 -8.419 0.734 1.00 0.00 C ATOM 797 C ALA A 55 -9.298 -7.199 0.936 1.00 0.00 C ATOM 798 O ALA A 55 -8.619 -7.075 1.956 1.00 0.00 O ATOM 799 CB ALA A 55 -9.663 -9.278 -0.406 1.00 0.00 C ATOM 0 H ALA A 55 -11.762 -7.782 -0.499 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.174 -9.005 1.653 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.633 -9.566 -0.198 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -10.278 -10.173 -0.502 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.700 -8.711 -1.336 1.00 0.00 H new ATOM 805 N HIS A 56 -9.302 -6.299 -0.043 1.00 0.00 N ATOM 806 CA HIS A 56 -8.493 -5.088 0.028 1.00 0.00 C ATOM 807 C HIS A 56 -9.118 -4.071 0.979 1.00 0.00 C ATOM 808 O HIS A 56 -10.254 -3.639 0.783 1.00 0.00 O ATOM 809 CB HIS A 56 -8.334 -4.473 -1.363 1.00 0.00 C ATOM 810 CG HIS A 56 -7.624 -5.365 -2.334 1.00 0.00 C ATOM 811 ND1 HIS A 56 -8.264 -6.349 -3.058 1.00 0.00 N ATOM 812 CD2 HIS A 56 -6.322 -5.416 -2.701 1.00 0.00 C ATOM 813 CE1 HIS A 56 -7.386 -6.968 -3.827 1.00 0.00 C ATOM 814 NE2 HIS A 56 -6.200 -6.420 -3.629 1.00 0.00 N ATOM 0 H HIS A 56 -9.857 -6.386 -0.895 1.00 0.00 H new ATOM 0 HA HIS A 56 -7.510 -5.360 0.411 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -9.320 -4.230 -1.759 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -7.786 -3.535 -1.276 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -5.527 -4.784 -2.332 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -7.601 -7.783 -4.502 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -5.334 -6.698 -4.091 1.00 0.00 H new ATOM 822 N LYS A 57 -8.370 -3.694 2.009 1.00 0.00 N ATOM 823 CA LYS A 57 -8.849 -2.728 2.990 1.00 0.00 C ATOM 824 C LYS A 57 -7.860 -1.577 3.149 1.00 0.00 C ATOM 825 O LYS A 57 -6.718 -1.780 3.558 1.00 0.00 O ATOM 826 CB LYS A 57 -9.074 -3.411 4.341 1.00 0.00 C ATOM 827 CG LYS A 57 -9.391 -2.442 5.467 1.00 0.00 C ATOM 828 CD LYS A 57 -10.887 -2.211 5.600 1.00 0.00 C ATOM 829 CE LYS A 57 -11.527 -3.224 6.537 1.00 0.00 C ATOM 830 NZ LYS A 57 -11.696 -4.552 5.885 1.00 0.00 N ATOM 0 H LYS A 57 -7.428 -4.043 2.187 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.796 -2.323 2.632 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.892 -4.125 4.246 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.183 -3.981 4.603 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -8.997 -2.832 6.406 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -8.890 -1.492 5.282 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.069 -1.203 5.973 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -11.355 -2.276 4.618 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.911 -3.333 7.429 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.499 -2.853 6.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.495 -5.054 6.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.884 -4.419 4.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.828 -5.111 6.006 1.00 0.00 H new ATOM 844 N MET A 58 -8.309 -0.369 2.825 1.00 0.00 N ATOM 845 CA MET A 58 -7.463 0.815 2.934 1.00 0.00 C ATOM 846 C MET A 58 -7.710 1.538 4.254 1.00 0.00 C ATOM 847 O MET A 58 -8.792 1.441 4.835 1.00 0.00 O ATOM 848 CB MET A 58 -7.723 1.763 1.763 1.00 0.00 C ATOM 849 CG MET A 58 -7.320 1.189 0.414 1.00 0.00 C ATOM 850 SD MET A 58 -8.260 -0.287 -0.021 1.00 0.00 S ATOM 851 CE MET A 58 -7.954 -0.375 -1.784 1.00 0.00 C ATOM 0 H MET A 58 -9.253 -0.184 2.485 1.00 0.00 H new ATOM 0 HA MET A 58 -6.422 0.492 2.906 1.00 0.00 H new ATOM 0 HB2 MET A 58 -8.783 2.015 1.739 1.00 0.00 H new ATOM 0 HB3 MET A 58 -7.178 2.692 1.931 1.00 0.00 H new ATOM 0 HG2 MET A 58 -7.463 1.947 -0.356 1.00 0.00 H new ATOM 0 HG3 MET A 58 -6.257 0.947 0.429 1.00 0.00 H new ATOM 0 HE1 MET A 58 -8.203 -1.372 -2.147 1.00 0.00 H new ATOM 0 HE2 MET A 58 -8.571 0.363 -2.298 1.00 0.00 H new ATOM 0 HE3 MET A 58 -6.902 -0.169 -1.981 1.00 0.00 H new ATOM 861 N LEU A 59 -6.701 2.264 4.723 1.00 0.00 N ATOM 862 CA LEU A 59 -6.808 3.005 5.975 1.00 0.00 C ATOM 863 C LEU A 59 -5.931 4.252 5.947 1.00 0.00 C ATOM 864 O LEU A 59 -4.745 4.183 5.626 1.00 0.00 O ATOM 865 CB LEU A 59 -6.410 2.114 7.153 1.00 0.00 C ATOM 866 CG LEU A 59 -7.240 0.844 7.346 1.00 0.00 C ATOM 867 CD1 LEU A 59 -6.659 -0.302 6.533 1.00 0.00 C ATOM 868 CD2 LEU A 59 -7.312 0.473 8.820 1.00 0.00 C ATOM 0 H LEU A 59 -5.799 2.355 4.255 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.846 3.316 6.097 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.366 1.826 7.028 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.470 2.706 8.066 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.252 1.037 6.991 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.263 -1.197 6.683 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.661 -0.036 5.476 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.636 -0.496 6.856 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.906 -0.433 8.939 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.306 0.299 9.201 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.776 1.287 9.378 1.00 0.00 H new ATOM 880 N VAL A 60 -6.522 5.393 6.287 1.00 0.00 N ATOM 881 CA VAL A 60 -5.794 6.656 6.304 1.00 0.00 C ATOM 882 C VAL A 60 -6.053 7.422 7.597 1.00 0.00 C ATOM 883 O VAL A 60 -7.195 7.754 7.916 1.00 0.00 O ATOM 884 CB VAL A 60 -6.183 7.544 5.108 1.00 0.00 C ATOM 885 CG1 VAL A 60 -7.690 7.749 5.062 1.00 0.00 C ATOM 886 CG2 VAL A 60 -5.458 8.879 5.177 1.00 0.00 C ATOM 0 H VAL A 60 -7.503 5.469 6.554 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.734 6.411 6.236 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.881 7.039 4.191 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -7.946 8.379 4.210 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -8.186 6.783 4.961 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -8.020 8.232 5.982 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.745 9.493 4.324 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.727 9.392 6.100 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.381 8.710 5.156 1.00 0.00 H new ATOM 896 N ARG A 61 -4.985 7.700 8.337 1.00 0.00 N ATOM 897 CA ARG A 61 -5.097 8.427 9.596 1.00 0.00 C ATOM 898 C ARG A 61 -5.418 9.898 9.348 1.00 0.00 C ATOM 899 O ARG A 61 -5.636 10.312 8.210 1.00 0.00 O ATOM 900 CB ARG A 61 -3.799 8.306 10.396 1.00 0.00 C ATOM 901 CG ARG A 61 -3.255 6.888 10.464 1.00 0.00 C ATOM 902 CD ARG A 61 -4.254 5.938 11.107 1.00 0.00 C ATOM 903 NE ARG A 61 -4.873 6.519 12.296 1.00 0.00 N ATOM 904 CZ ARG A 61 -6.039 6.116 12.788 1.00 0.00 C ATOM 905 NH1 ARG A 61 -6.708 5.135 12.197 1.00 0.00 N ATOM 906 NH2 ARG A 61 -6.538 6.693 13.873 1.00 0.00 N ATOM 0 H ARG A 61 -4.033 7.433 8.087 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.912 7.986 10.170 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.045 8.954 9.949 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.972 8.669 11.409 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.016 6.540 9.459 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.326 6.881 11.034 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.028 5.682 10.384 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.750 5.010 11.377 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.383 7.275 12.774 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.327 4.688 11.363 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.603 4.827 12.577 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.026 7.447 14.331 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.434 6.382 14.250 1.00 0.00 H new ATOM 920 N GLU A 62 -5.445 10.682 10.422 1.00 0.00 N ATOM 921 CA GLU A 62 -5.741 12.106 10.319 1.00 0.00 C ATOM 922 C GLU A 62 -4.470 12.938 10.467 1.00 0.00 C ATOM 923 O GLU A 62 -4.527 14.159 10.607 1.00 0.00 O ATOM 924 CB GLU A 62 -6.758 12.516 11.386 1.00 0.00 C ATOM 925 CG GLU A 62 -6.345 12.138 12.799 1.00 0.00 C ATOM 926 CD GLU A 62 -7.422 12.442 13.822 1.00 0.00 C ATOM 927 OE1 GLU A 62 -8.527 11.873 13.709 1.00 0.00 O ATOM 928 OE2 GLU A 62 -7.158 13.250 14.738 1.00 0.00 O ATOM 0 H GLU A 62 -5.266 10.355 11.372 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.164 12.293 9.332 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.908 13.594 11.337 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.717 12.050 11.160 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.107 11.075 12.832 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.435 12.676 13.064 1.00 0.00 H new ATOM 935 N ASN A 63 -3.323 12.266 10.435 1.00 0.00 N ATOM 936 CA ASN A 63 -2.038 12.943 10.566 1.00 0.00 C ATOM 937 C ASN A 63 -1.244 12.859 9.266 1.00 0.00 C ATOM 938 O ASN A 63 -0.357 13.674 9.015 1.00 0.00 O ATOM 939 CB ASN A 63 -1.229 12.328 11.711 1.00 0.00 C ATOM 940 CG ASN A 63 -1.583 12.929 13.057 1.00 0.00 C ATOM 941 OD1 ASN A 63 -2.444 13.805 13.151 1.00 0.00 O ATOM 942 ND2 ASN A 63 -0.919 12.461 14.107 1.00 0.00 N ATOM 0 H ASN A 63 -3.258 11.255 10.320 1.00 0.00 H new ATOM 0 HA ASN A 63 -2.229 13.993 10.787 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -1.404 11.253 11.739 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -0.166 12.473 11.520 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -1.114 12.828 15.039 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -0.214 11.735 13.982 1.00 0.00 H new ATOM 949 N GLY A 64 -1.571 11.868 8.442 1.00 0.00 N ATOM 950 CA GLY A 64 -0.880 11.697 7.178 1.00 0.00 C ATOM 951 C GLY A 64 -0.202 10.346 7.066 1.00 0.00 C ATOM 952 O GLY A 64 1.025 10.261 7.007 1.00 0.00 O ATOM 0 H GLY A 64 -2.302 11.181 8.628 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.591 11.812 6.360 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.135 12.484 7.065 1.00 0.00 H new ATOM 956 N VAL A 65 -1.001 9.284 7.038 1.00 0.00 N ATOM 957 CA VAL A 65 -0.471 7.930 6.934 1.00 0.00 C ATOM 958 C VAL A 65 -1.476 6.996 6.268 1.00 0.00 C ATOM 959 O VAL A 65 -2.633 6.914 6.682 1.00 0.00 O ATOM 960 CB VAL A 65 -0.100 7.364 8.318 1.00 0.00 C ATOM 961 CG1 VAL A 65 0.033 5.850 8.257 1.00 0.00 C ATOM 962 CG2 VAL A 65 1.185 8.000 8.826 1.00 0.00 C ATOM 0 H VAL A 65 -2.019 9.336 7.086 1.00 0.00 H new ATOM 0 HA VAL A 65 0.428 7.989 6.321 1.00 0.00 H new ATOM 0 HB VAL A 65 -0.900 7.607 9.017 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.295 5.468 9.243 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.914 5.414 7.939 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.813 5.582 7.545 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.432 7.589 9.805 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.996 7.789 8.128 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.049 9.078 8.909 1.00 0.00 H new ATOM 972 N HIS A 66 -1.026 6.293 5.233 1.00 0.00 N ATOM 973 CA HIS A 66 -1.886 5.363 4.510 1.00 0.00 C ATOM 974 C HIS A 66 -1.456 3.921 4.757 1.00 0.00 C ATOM 975 O HIS A 66 -0.265 3.628 4.869 1.00 0.00 O ATOM 976 CB HIS A 66 -1.855 5.667 3.011 1.00 0.00 C ATOM 977 CG HIS A 66 -2.904 6.644 2.576 1.00 0.00 C ATOM 978 ND1 HIS A 66 -2.929 7.958 2.994 1.00 0.00 N ATOM 979 CD2 HIS A 66 -3.968 6.491 1.754 1.00 0.00 C ATOM 980 CE1 HIS A 66 -3.964 8.571 2.448 1.00 0.00 C ATOM 981 NE2 HIS A 66 -4.611 7.703 1.691 1.00 0.00 N ATOM 0 H HIS A 66 -0.072 6.350 4.877 1.00 0.00 H new ATOM 0 HA HIS A 66 -2.904 5.488 4.878 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -0.873 6.060 2.749 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -1.984 4.737 2.457 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -4.258 5.585 1.243 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -4.235 9.606 2.595 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -5.451 7.901 1.148 1.00 0.00 H new ATOM 989 N SER A 67 -2.432 3.023 4.842 1.00 0.00 N ATOM 990 CA SER A 67 -2.155 1.612 5.080 1.00 0.00 C ATOM 991 C SER A 67 -3.023 0.729 4.189 1.00 0.00 C ATOM 992 O SER A 67 -4.237 0.920 4.100 1.00 0.00 O ATOM 993 CB SER A 67 -2.395 1.265 6.551 1.00 0.00 C ATOM 994 OG SER A 67 -1.627 2.096 7.403 1.00 0.00 O ATOM 0 H SER A 67 -3.423 3.248 4.749 1.00 0.00 H new ATOM 0 HA SER A 67 -1.109 1.426 4.836 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.453 1.377 6.786 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.138 0.221 6.728 1.00 0.00 H new ATOM 0 HG SER A 67 -1.799 1.855 8.337 1.00 0.00 H new ATOM 1000 N LEU A 68 -2.393 -0.238 3.532 1.00 0.00 N ATOM 1001 CA LEU A 68 -3.107 -1.152 2.647 1.00 0.00 C ATOM 1002 C LEU A 68 -3.184 -2.550 3.254 1.00 0.00 C ATOM 1003 O LEU A 68 -2.265 -3.355 3.099 1.00 0.00 O ATOM 1004 CB LEU A 68 -2.419 -1.214 1.282 1.00 0.00 C ATOM 1005 CG LEU A 68 -3.178 -1.955 0.181 1.00 0.00 C ATOM 1006 CD1 LEU A 68 -4.519 -1.289 -0.085 1.00 0.00 C ATOM 1007 CD2 LEU A 68 -2.347 -2.012 -1.093 1.00 0.00 C ATOM 0 H LEU A 68 -1.390 -0.410 3.595 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.122 -0.775 2.519 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.233 -0.194 0.944 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.447 -1.690 1.409 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.363 -2.975 0.517 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.045 -1.831 -0.872 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.118 -1.300 0.826 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.357 -0.258 -0.400 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.902 -2.543 -1.866 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.131 -0.999 -1.432 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.412 -2.535 -0.894 1.00 0.00 H new ATOM 1019 N ILE A 69 -4.284 -2.830 3.943 1.00 0.00 N ATOM 1020 CA ILE A 69 -4.482 -4.131 4.570 1.00 0.00 C ATOM 1021 C ILE A 69 -5.167 -5.103 3.616 1.00 0.00 C ATOM 1022 O ILE A 69 -6.322 -4.906 3.237 1.00 0.00 O ATOM 1023 CB ILE A 69 -5.320 -4.015 5.857 1.00 0.00 C ATOM 1024 CG1 ILE A 69 -4.640 -3.073 6.851 1.00 0.00 C ATOM 1025 CG2 ILE A 69 -5.531 -5.388 6.478 1.00 0.00 C ATOM 1026 CD1 ILE A 69 -5.446 -2.837 8.109 1.00 0.00 C ATOM 0 H ILE A 69 -5.052 -2.174 4.082 1.00 0.00 H new ATOM 0 HA ILE A 69 -3.493 -4.512 4.824 1.00 0.00 H new ATOM 0 HB ILE A 69 -6.295 -3.600 5.602 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.669 -3.486 7.124 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.454 -2.116 6.363 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -6.125 -5.289 7.387 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.055 -6.031 5.770 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.565 -5.829 6.722 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -4.902 -2.160 8.768 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.408 -2.395 7.848 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.610 -3.786 8.620 1.00 0.00 H new ATOM 1038 N ILE A 70 -4.449 -6.154 3.233 1.00 0.00 N ATOM 1039 CA ILE A 70 -4.990 -7.158 2.326 1.00 0.00 C ATOM 1040 C ILE A 70 -5.187 -8.493 3.037 1.00 0.00 C ATOM 1041 O ILE A 70 -4.238 -9.072 3.563 1.00 0.00 O ATOM 1042 CB ILE A 70 -4.071 -7.369 1.108 1.00 0.00 C ATOM 1043 CG1 ILE A 70 -3.660 -6.021 0.512 1.00 0.00 C ATOM 1044 CG2 ILE A 70 -4.768 -8.226 0.061 1.00 0.00 C ATOM 1045 CD1 ILE A 70 -2.362 -6.073 -0.262 1.00 0.00 C ATOM 0 H ILE A 70 -3.492 -6.332 3.537 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.955 -6.786 1.983 1.00 0.00 H new ATOM 0 HB ILE A 70 -3.171 -7.890 1.436 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.453 -5.668 -0.147 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.565 -5.291 1.316 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -4.106 -8.366 -0.794 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -5.016 -9.196 0.491 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -5.682 -7.730 -0.266 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -2.133 -5.083 -0.656 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.557 -6.396 0.398 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.459 -6.778 -1.088 1.00 0.00 H new ATOM 1057 N GLU A 71 -6.426 -8.975 3.047 1.00 0.00 N ATOM 1058 CA GLU A 71 -6.747 -10.242 3.693 1.00 0.00 C ATOM 1059 C GLU A 71 -8.141 -10.717 3.296 1.00 0.00 C ATOM 1060 O GLU A 71 -9.137 -10.016 3.471 1.00 0.00 O ATOM 1061 CB GLU A 71 -6.658 -10.101 5.214 1.00 0.00 C ATOM 1062 CG GLU A 71 -6.393 -11.414 5.932 1.00 0.00 C ATOM 1063 CD GLU A 71 -7.542 -12.394 5.799 1.00 0.00 C ATOM 1064 OE1 GLU A 71 -8.705 -11.971 5.965 1.00 0.00 O ATOM 1065 OE2 GLU A 71 -7.278 -13.584 5.528 1.00 0.00 O ATOM 0 H GLU A 71 -7.223 -8.507 2.615 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.021 -10.984 3.361 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.864 -9.396 5.459 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.590 -9.675 5.586 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.486 -11.867 5.531 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.210 -11.216 6.988 1.00 0.00 H new ATOM 1072 N PRO A 72 -8.215 -11.939 2.746 1.00 0.00 N ATOM 1073 CA PRO A 72 -7.036 -12.783 2.532 1.00 0.00 C ATOM 1074 C PRO A 72 -6.125 -12.238 1.437 1.00 0.00 C ATOM 1075 O PRO A 72 -6.336 -11.137 0.930 1.00 0.00 O ATOM 1076 CB PRO A 72 -7.634 -14.127 2.110 1.00 0.00 C ATOM 1077 CG PRO A 72 -8.961 -13.785 1.525 1.00 0.00 C ATOM 1078 CD PRO A 72 -9.455 -12.590 2.292 1.00 0.00 C ATOM 0 HA PRO A 72 -6.409 -12.841 3.422 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -6.999 -14.632 1.382 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.738 -14.799 2.962 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -8.872 -13.558 0.463 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -9.655 -14.621 1.615 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -10.050 -11.927 1.664 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -10.085 -12.884 3.131 1.00 0.00 H new ATOM 1086 N VAL A 73 -5.110 -13.018 1.075 1.00 0.00 N ATOM 1087 CA VAL A 73 -4.167 -12.614 0.039 1.00 0.00 C ATOM 1088 C VAL A 73 -4.141 -13.624 -1.103 1.00 0.00 C ATOM 1089 O VAL A 73 -4.045 -14.831 -0.878 1.00 0.00 O ATOM 1090 CB VAL A 73 -2.744 -12.459 0.606 1.00 0.00 C ATOM 1091 CG1 VAL A 73 -1.717 -12.485 -0.516 1.00 0.00 C ATOM 1092 CG2 VAL A 73 -2.629 -11.176 1.415 1.00 0.00 C ATOM 0 H VAL A 73 -4.920 -13.933 1.484 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.506 -11.650 -0.340 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.543 -13.299 1.271 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.717 -12.374 -0.097 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.784 -13.434 -1.049 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.913 -11.666 -1.208 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.617 -11.083 1.808 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.850 -10.321 0.775 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.338 -11.203 2.242 1.00 0.00 H new ATOM 1102 N THR A 74 -4.226 -13.121 -2.331 1.00 0.00 N ATOM 1103 CA THR A 74 -4.213 -13.979 -3.510 1.00 0.00 C ATOM 1104 C THR A 74 -2.938 -13.777 -4.322 1.00 0.00 C ATOM 1105 O THR A 74 -2.232 -12.783 -4.150 1.00 0.00 O ATOM 1106 CB THR A 74 -5.431 -13.711 -4.413 1.00 0.00 C ATOM 1107 OG1 THR A 74 -5.355 -12.390 -4.960 1.00 0.00 O ATOM 1108 CG2 THR A 74 -6.728 -13.868 -3.633 1.00 0.00 C ATOM 0 H THR A 74 -4.305 -12.125 -2.535 1.00 0.00 H new ATOM 0 HA THR A 74 -4.254 -15.008 -3.153 1.00 0.00 H new ATOM 0 HB THR A 74 -5.422 -14.440 -5.223 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.132 -12.229 -5.534 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.574 -13.674 -4.292 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.797 -14.883 -3.243 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.743 -13.159 -2.805 1.00 0.00 H new ATOM 1116 N SER A 75 -2.650 -14.725 -5.208 1.00 0.00 N ATOM 1117 CA SER A 75 -1.458 -14.652 -6.045 1.00 0.00 C ATOM 1118 C SER A 75 -1.441 -13.359 -6.854 1.00 0.00 C ATOM 1119 O SER A 75 -0.380 -12.874 -7.246 1.00 0.00 O ATOM 1120 CB SER A 75 -1.396 -15.857 -6.986 1.00 0.00 C ATOM 1121 OG SER A 75 -1.008 -17.029 -6.289 1.00 0.00 O ATOM 0 H SER A 75 -3.226 -15.552 -5.365 1.00 0.00 H new ATOM 0 HA SER A 75 -0.584 -14.664 -5.393 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.371 -16.011 -7.449 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.689 -15.658 -7.791 1.00 0.00 H new ATOM 0 HG SER A 75 -0.978 -17.785 -6.912 1.00 0.00 H new ATOM 1127 N ARG A 76 -2.624 -12.807 -7.100 1.00 0.00 N ATOM 1128 CA ARG A 76 -2.747 -11.571 -7.864 1.00 0.00 C ATOM 1129 C ARG A 76 -2.106 -10.405 -7.117 1.00 0.00 C ATOM 1130 O ARG A 76 -1.561 -9.486 -7.729 1.00 0.00 O ATOM 1131 CB ARG A 76 -4.219 -11.263 -8.145 1.00 0.00 C ATOM 1132 CG ARG A 76 -4.812 -12.099 -9.267 1.00 0.00 C ATOM 1133 CD ARG A 76 -6.236 -11.671 -9.587 1.00 0.00 C ATOM 1134 NE ARG A 76 -6.312 -10.263 -9.967 1.00 0.00 N ATOM 1135 CZ ARG A 76 -6.420 -9.271 -9.091 1.00 0.00 C ATOM 1136 NH1 ARG A 76 -6.463 -9.531 -7.791 1.00 0.00 N ATOM 1137 NH2 ARG A 76 -6.484 -8.015 -9.514 1.00 0.00 N ATOM 0 H ARG A 76 -3.512 -13.196 -6.781 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.225 -11.706 -8.811 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.796 -11.429 -7.235 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.319 -10.207 -8.398 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.193 -12.004 -10.159 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.802 -13.151 -8.983 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -6.626 -12.287 -10.397 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -6.871 -11.847 -8.719 1.00 0.00 H new ATOM 0 HE ARG A 76 -6.280 -10.029 -10.959 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -6.413 -10.495 -7.462 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -6.546 -8.767 -7.121 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.450 -7.811 -10.513 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.567 -7.254 -8.840 1.00 0.00 H new ATOM 1151 N ASP A 77 -2.175 -10.449 -5.791 1.00 0.00 N ATOM 1152 CA ASP A 77 -1.602 -9.396 -4.960 1.00 0.00 C ATOM 1153 C ASP A 77 -0.103 -9.264 -5.209 1.00 0.00 C ATOM 1154 O ASP A 77 0.501 -8.239 -4.892 1.00 0.00 O ATOM 1155 CB ASP A 77 -1.862 -9.686 -3.481 1.00 0.00 C ATOM 1156 CG ASP A 77 -0.790 -9.107 -2.580 1.00 0.00 C ATOM 1157 OD1 ASP A 77 0.233 -9.789 -2.359 1.00 0.00 O ATOM 1158 OD2 ASP A 77 -0.972 -7.970 -2.096 1.00 0.00 O ATOM 0 H ASP A 77 -2.622 -11.202 -5.268 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.081 -8.454 -5.227 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -2.831 -9.275 -3.198 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -1.917 -10.764 -3.329 1.00 0.00 H new ATOM 1163 N ALA A 78 0.492 -10.308 -5.777 1.00 0.00 N ATOM 1164 CA ALA A 78 1.920 -10.308 -6.069 1.00 0.00 C ATOM 1165 C ALA A 78 2.234 -9.426 -7.273 1.00 0.00 C ATOM 1166 O ALA A 78 1.802 -9.707 -8.390 1.00 0.00 O ATOM 1167 CB ALA A 78 2.410 -11.728 -6.310 1.00 0.00 C ATOM 0 H ALA A 78 0.007 -11.165 -6.044 1.00 0.00 H new ATOM 0 HA ALA A 78 2.442 -9.898 -5.205 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.478 -11.712 -6.527 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.229 -12.331 -5.420 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.874 -12.159 -7.156 1.00 0.00 H new ATOM 1173 N GLY A 79 2.989 -8.357 -7.037 1.00 0.00 N ATOM 1174 CA GLY A 79 3.347 -7.450 -8.112 1.00 0.00 C ATOM 1175 C GLY A 79 4.018 -6.188 -7.606 1.00 0.00 C ATOM 1176 O GLY A 79 4.346 -6.083 -6.424 1.00 0.00 O ATOM 0 H GLY A 79 3.359 -8.103 -6.121 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.015 -7.960 -8.806 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.450 -7.182 -8.671 1.00 0.00 H new ATOM 1180 N ILE A 80 4.223 -5.229 -8.503 1.00 0.00 N ATOM 1181 CA ILE A 80 4.859 -3.969 -8.141 1.00 0.00 C ATOM 1182 C ILE A 80 3.823 -2.870 -7.932 1.00 0.00 C ATOM 1183 O ILE A 80 3.180 -2.420 -8.881 1.00 0.00 O ATOM 1184 CB ILE A 80 5.862 -3.515 -9.218 1.00 0.00 C ATOM 1185 CG1 ILE A 80 6.696 -4.703 -9.702 1.00 0.00 C ATOM 1186 CG2 ILE A 80 6.763 -2.416 -8.673 1.00 0.00 C ATOM 1187 CD1 ILE A 80 7.359 -5.473 -8.582 1.00 0.00 C ATOM 0 H ILE A 80 3.958 -5.301 -9.485 1.00 0.00 H new ATOM 0 HA ILE A 80 5.394 -4.143 -7.207 1.00 0.00 H new ATOM 0 HB ILE A 80 5.306 -3.115 -10.066 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.055 -5.380 -10.267 1.00 0.00 H new ATOM 0 HG13 ILE A 80 7.463 -4.343 -10.388 1.00 0.00 H new ATOM 0 HG21 ILE A 80 7.466 -2.106 -9.446 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.155 -1.563 -8.372 1.00 0.00 H new ATOM 0 HG23 ILE A 80 7.314 -2.791 -7.811 1.00 0.00 H new ATOM 0 HD11 ILE A 80 7.933 -6.300 -8.999 1.00 0.00 H new ATOM 0 HD12 ILE A 80 8.026 -4.811 -8.030 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.597 -5.864 -7.908 1.00 0.00 H new ATOM 1199 N TYR A 81 3.668 -2.440 -6.685 1.00 0.00 N ATOM 1200 CA TYR A 81 2.709 -1.394 -6.351 1.00 0.00 C ATOM 1201 C TYR A 81 3.300 -0.011 -6.607 1.00 0.00 C ATOM 1202 O TYR A 81 4.258 0.400 -5.951 1.00 0.00 O ATOM 1203 CB TYR A 81 2.280 -1.514 -4.887 1.00 0.00 C ATOM 1204 CG TYR A 81 1.343 -2.671 -4.623 1.00 0.00 C ATOM 1205 CD1 TYR A 81 -0.030 -2.527 -4.777 1.00 0.00 C ATOM 1206 CD2 TYR A 81 1.831 -3.907 -4.219 1.00 0.00 C ATOM 1207 CE1 TYR A 81 -0.890 -3.581 -4.537 1.00 0.00 C ATOM 1208 CE2 TYR A 81 0.979 -4.967 -3.978 1.00 0.00 C ATOM 1209 CZ TYR A 81 -0.381 -4.799 -4.138 1.00 0.00 C ATOM 1210 OH TYR A 81 -1.234 -5.852 -3.897 1.00 0.00 O ATOM 0 H TYR A 81 4.194 -2.800 -5.889 1.00 0.00 H new ATOM 0 HA TYR A 81 1.835 -1.520 -6.990 1.00 0.00 H new ATOM 0 HB2 TYR A 81 3.168 -1.627 -4.265 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.794 -0.587 -4.582 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -0.432 -1.575 -5.090 1.00 0.00 H new ATOM 0 HD2 TYR A 81 2.895 -4.042 -4.091 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -1.955 -3.452 -4.661 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.375 -5.922 -3.666 1.00 0.00 H new ATOM 0 HH TYR A 81 -0.853 -6.429 -3.202 1.00 0.00 H new ATOM 1220 N THR A 82 2.722 0.704 -7.567 1.00 0.00 N ATOM 1221 CA THR A 82 3.190 2.040 -7.912 1.00 0.00 C ATOM 1222 C THR A 82 2.298 3.112 -7.295 1.00 0.00 C ATOM 1223 O THR A 82 1.162 3.312 -7.727 1.00 0.00 O ATOM 1224 CB THR A 82 3.235 2.243 -9.439 1.00 0.00 C ATOM 1225 OG1 THR A 82 3.962 1.174 -10.053 1.00 0.00 O ATOM 1226 CG2 THR A 82 3.884 3.573 -9.789 1.00 0.00 C ATOM 0 H THR A 82 1.928 0.380 -8.120 1.00 0.00 H new ATOM 0 HA THR A 82 4.199 2.135 -7.510 1.00 0.00 H new ATOM 0 HB THR A 82 2.212 2.248 -9.814 1.00 0.00 H new ATOM 0 HG1 THR A 82 3.985 1.309 -11.023 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.905 3.694 -10.872 1.00 0.00 H new ATOM 0 HG22 THR A 82 3.310 4.386 -9.344 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.903 3.594 -9.402 1.00 0.00 H new ATOM 1234 N CYS A 83 2.820 3.798 -6.284 1.00 0.00 N ATOM 1235 CA CYS A 83 2.070 4.850 -5.607 1.00 0.00 C ATOM 1236 C CYS A 83 2.456 6.225 -6.145 1.00 0.00 C ATOM 1237 O CYS A 83 3.632 6.502 -6.380 1.00 0.00 O ATOM 1238 CB CYS A 83 2.317 4.791 -4.099 1.00 0.00 C ATOM 1239 SG CYS A 83 1.437 6.059 -3.157 1.00 0.00 S ATOM 0 H CYS A 83 3.759 3.645 -5.915 1.00 0.00 H new ATOM 0 HA CYS A 83 1.009 4.689 -5.801 1.00 0.00 H new ATOM 0 HB2 CYS A 83 2.020 3.809 -3.731 1.00 0.00 H new ATOM 0 HB3 CYS A 83 3.386 4.892 -3.913 1.00 0.00 H new ATOM 0 HG CYS A 83 2.285 6.733 -2.438 1.00 0.00 H new ATOM 1245 N ILE A 84 1.457 7.080 -6.338 1.00 0.00 N ATOM 1246 CA ILE A 84 1.692 8.425 -6.849 1.00 0.00 C ATOM 1247 C ILE A 84 0.925 9.463 -6.037 1.00 0.00 C ATOM 1248 O ILE A 84 -0.285 9.617 -6.193 1.00 0.00 O ATOM 1249 CB ILE A 84 1.285 8.544 -8.329 1.00 0.00 C ATOM 1250 CG1 ILE A 84 2.003 7.483 -9.165 1.00 0.00 C ATOM 1251 CG2 ILE A 84 1.595 9.938 -8.853 1.00 0.00 C ATOM 1252 CD1 ILE A 84 1.282 7.134 -10.448 1.00 0.00 C ATOM 0 H ILE A 84 0.478 6.865 -6.148 1.00 0.00 H new ATOM 0 HA ILE A 84 2.762 8.615 -6.759 1.00 0.00 H new ATOM 0 HB ILE A 84 0.211 8.377 -8.410 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.005 7.839 -9.406 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.121 6.579 -8.567 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.302 10.006 -9.901 1.00 0.00 H new ATOM 0 HG22 ILE A 84 1.042 10.676 -8.272 1.00 0.00 H new ATOM 0 HG23 ILE A 84 2.664 10.131 -8.762 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.848 6.376 -10.989 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.290 6.748 -10.214 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.187 8.026 -11.067 1.00 0.00 H new ATOM 1264 N ALA A 85 1.639 10.173 -5.170 1.00 0.00 N ATOM 1265 CA ALA A 85 1.027 11.200 -4.336 1.00 0.00 C ATOM 1266 C ALA A 85 1.172 12.580 -4.968 1.00 0.00 C ATOM 1267 O ALA A 85 2.270 13.135 -5.028 1.00 0.00 O ATOM 1268 CB ALA A 85 1.643 11.187 -2.945 1.00 0.00 C ATOM 0 H ALA A 85 2.642 10.056 -5.027 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.037 10.978 -4.252 1.00 0.00 H new ATOM 0 HB1 ALA A 85 1.176 11.959 -2.333 1.00 0.00 H new ATOM 0 HB2 ALA A 85 1.481 10.212 -2.485 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.713 11.380 -3.019 1.00 0.00 H new ATOM 1274 N THR A 86 0.058 13.131 -5.440 1.00 0.00 N ATOM 1275 CA THR A 86 0.062 14.445 -6.069 1.00 0.00 C ATOM 1276 C THR A 86 -0.600 15.486 -5.173 1.00 0.00 C ATOM 1277 O THR A 86 -1.795 15.408 -4.894 1.00 0.00 O ATOM 1278 CB THR A 86 -0.663 14.419 -7.428 1.00 0.00 C ATOM 1279 OG1 THR A 86 -0.447 13.159 -8.074 1.00 0.00 O ATOM 1280 CG2 THR A 86 -0.171 15.545 -8.325 1.00 0.00 C ATOM 0 H THR A 86 -0.859 12.687 -5.398 1.00 0.00 H new ATOM 0 HA THR A 86 1.106 14.717 -6.227 1.00 0.00 H new ATOM 0 HB THR A 86 -1.729 14.557 -7.249 1.00 0.00 H new ATOM 0 HG1 THR A 86 -0.912 13.150 -8.936 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.697 15.507 -9.279 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.362 16.504 -7.843 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.900 15.432 -8.496 1.00 0.00 H new ATOM 1288 N ASN A 87 0.186 16.460 -4.726 1.00 0.00 N ATOM 1289 CA ASN A 87 -0.325 17.518 -3.861 1.00 0.00 C ATOM 1290 C ASN A 87 -0.241 18.875 -4.553 1.00 0.00 C ATOM 1291 O ASN A 87 0.597 19.085 -5.431 1.00 0.00 O ATOM 1292 CB ASN A 87 0.458 17.553 -2.547 1.00 0.00 C ATOM 1293 CG ASN A 87 0.024 18.693 -1.646 1.00 0.00 C ATOM 1294 OD1 ASN A 87 -1.116 19.152 -1.713 1.00 0.00 O ATOM 1295 ND2 ASN A 87 0.934 19.155 -0.797 1.00 0.00 N ATOM 0 H ASN A 87 1.178 16.539 -4.948 1.00 0.00 H new ATOM 0 HA ASN A 87 -1.372 17.304 -3.647 1.00 0.00 H new ATOM 0 HB2 ASN A 87 0.324 16.607 -2.022 1.00 0.00 H new ATOM 0 HB3 ASN A 87 1.522 17.649 -2.764 1.00 0.00 H new ATOM 0 HD21 ASN A 87 0.700 19.921 -0.166 1.00 0.00 H new ATOM 0 HD22 ASN A 87 1.867 18.744 -0.776 1.00 0.00 H new ATOM 1302 N ARG A 88 -1.113 19.793 -4.151 1.00 0.00 N ATOM 1303 CA ARG A 88 -1.138 21.130 -4.733 1.00 0.00 C ATOM 1304 C ARG A 88 0.278 21.637 -4.989 1.00 0.00 C ATOM 1305 O ARG A 88 0.520 22.373 -5.945 1.00 0.00 O ATOM 1306 CB ARG A 88 -1.878 22.098 -3.808 1.00 0.00 C ATOM 1307 CG ARG A 88 -3.372 21.832 -3.719 1.00 0.00 C ATOM 1308 CD ARG A 88 -4.088 22.930 -2.946 1.00 0.00 C ATOM 1309 NE ARG A 88 -5.536 22.737 -2.936 1.00 0.00 N ATOM 1310 CZ ARG A 88 -6.323 23.027 -3.965 1.00 0.00 C ATOM 1311 NH1 ARG A 88 -5.806 23.521 -5.082 1.00 0.00 N ATOM 1312 NH2 ARG A 88 -7.632 22.824 -3.880 1.00 0.00 N ATOM 0 H ARG A 88 -1.812 19.636 -3.425 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.664 21.075 -5.686 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -1.446 22.035 -2.809 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -1.719 23.117 -4.160 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.790 21.760 -4.723 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -3.543 20.872 -3.233 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.718 22.952 -1.921 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -3.854 23.898 -3.390 1.00 0.00 H new ATOM 0 HE ARG A 88 -5.966 22.359 -2.092 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -4.801 23.679 -5.152 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -6.414 23.743 -5.871 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -8.035 22.445 -3.023 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -8.235 23.047 -4.672 1.00 0.00 H new ATOM 1326 N ALA A 89 1.209 21.239 -4.129 1.00 0.00 N ATOM 1327 CA ALA A 89 2.600 21.652 -4.263 1.00 0.00 C ATOM 1328 C ALA A 89 3.275 20.937 -5.429 1.00 0.00 C ATOM 1329 O ALA A 89 3.736 21.572 -6.376 1.00 0.00 O ATOM 1330 CB ALA A 89 3.357 21.387 -2.970 1.00 0.00 C ATOM 0 H ALA A 89 1.025 20.630 -3.331 1.00 0.00 H new ATOM 0 HA ALA A 89 2.617 22.722 -4.468 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.395 21.700 -3.085 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.896 21.948 -2.157 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.323 20.322 -2.740 1.00 0.00 H new ATOM 1336 N GLY A 90 3.330 19.611 -5.351 1.00 0.00 N ATOM 1337 CA GLY A 90 3.952 18.831 -6.406 1.00 0.00 C ATOM 1338 C GLY A 90 3.422 17.412 -6.468 1.00 0.00 C ATOM 1339 O GLY A 90 2.235 17.177 -6.243 1.00 0.00 O ATOM 0 H GLY A 90 2.955 19.063 -4.577 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.782 19.321 -7.365 1.00 0.00 H new ATOM 0 HA3 GLY A 90 5.030 18.806 -6.248 1.00 0.00 H new ATOM 1343 N GLN A 91 4.303 16.466 -6.774 1.00 0.00 N ATOM 1344 CA GLN A 91 3.916 15.063 -6.867 1.00 0.00 C ATOM 1345 C GLN A 91 5.139 14.155 -6.799 1.00 0.00 C ATOM 1346 O GLN A 91 6.231 14.536 -7.220 1.00 0.00 O ATOM 1347 CB GLN A 91 3.149 14.809 -8.166 1.00 0.00 C ATOM 1348 CG GLN A 91 3.959 15.103 -9.419 1.00 0.00 C ATOM 1349 CD GLN A 91 5.195 14.233 -9.532 1.00 0.00 C ATOM 1350 OE1 GLN A 91 6.313 14.736 -9.649 1.00 0.00 O ATOM 1351 NE2 GLN A 91 5.001 12.920 -9.496 1.00 0.00 N ATOM 0 H GLN A 91 5.289 16.645 -6.962 1.00 0.00 H new ATOM 0 HA GLN A 91 3.269 14.834 -6.020 1.00 0.00 H new ATOM 0 HB2 GLN A 91 2.825 13.769 -8.189 1.00 0.00 H new ATOM 0 HB3 GLN A 91 2.249 15.424 -8.173 1.00 0.00 H new ATOM 0 HG2 GLN A 91 3.331 14.951 -10.297 1.00 0.00 H new ATOM 0 HG3 GLN A 91 4.256 16.152 -9.417 1.00 0.00 H new ATOM 0 HE21 GLN A 91 4.057 12.546 -9.398 1.00 0.00 H new ATOM 0 HE22 GLN A 91 5.796 12.285 -9.566 1.00 0.00 H new ATOM 1360 N ASN A 92 4.948 12.953 -6.266 1.00 0.00 N ATOM 1361 CA ASN A 92 6.037 11.990 -6.142 1.00 0.00 C ATOM 1362 C ASN A 92 5.573 10.590 -6.533 1.00 0.00 C ATOM 1363 O ASN A 92 4.386 10.361 -6.764 1.00 0.00 O ATOM 1364 CB ASN A 92 6.576 11.980 -4.710 1.00 0.00 C ATOM 1365 CG ASN A 92 8.014 11.503 -4.637 1.00 0.00 C ATOM 1366 OD1 ASN A 92 8.297 10.319 -4.819 1.00 0.00 O ATOM 1367 ND2 ASN A 92 8.929 12.427 -4.368 1.00 0.00 N ATOM 0 H ASN A 92 4.050 12.622 -5.913 1.00 0.00 H new ATOM 0 HA ASN A 92 6.834 12.292 -6.821 1.00 0.00 H new ATOM 0 HB2 ASN A 92 6.507 12.984 -4.292 1.00 0.00 H new ATOM 0 HB3 ASN A 92 5.950 11.335 -4.094 1.00 0.00 H new ATOM 0 HD21 ASN A 92 9.913 12.167 -4.305 1.00 0.00 H new ATOM 0 HD22 ASN A 92 8.648 13.397 -4.224 1.00 0.00 H new ATOM 1374 N SER A 93 6.517 9.658 -6.604 1.00 0.00 N ATOM 1375 CA SER A 93 6.206 8.281 -6.970 1.00 0.00 C ATOM 1376 C SER A 93 7.169 7.309 -6.295 1.00 0.00 C ATOM 1377 O SER A 93 8.300 7.666 -5.963 1.00 0.00 O ATOM 1378 CB SER A 93 6.270 8.108 -8.489 1.00 0.00 C ATOM 1379 OG SER A 93 7.534 8.502 -8.994 1.00 0.00 O ATOM 0 H SER A 93 7.504 9.831 -6.413 1.00 0.00 H new ATOM 0 HA SER A 93 5.195 8.060 -6.628 1.00 0.00 H new ATOM 0 HB2 SER A 93 6.080 7.066 -8.748 1.00 0.00 H new ATOM 0 HB3 SER A 93 5.486 8.701 -8.959 1.00 0.00 H new ATOM 0 HG SER A 93 7.550 8.380 -9.966 1.00 0.00 H new ATOM 1385 N PHE A 94 6.712 6.077 -6.094 1.00 0.00 N ATOM 1386 CA PHE A 94 7.531 5.052 -5.458 1.00 0.00 C ATOM 1387 C PHE A 94 6.958 3.662 -5.713 1.00 0.00 C ATOM 1388 O PHE A 94 5.749 3.449 -5.613 1.00 0.00 O ATOM 1389 CB PHE A 94 7.628 5.308 -3.953 1.00 0.00 C ATOM 1390 CG PHE A 94 6.545 4.635 -3.159 1.00 0.00 C ATOM 1391 CD1 PHE A 94 6.496 3.254 -3.062 1.00 0.00 C ATOM 1392 CD2 PHE A 94 5.576 5.384 -2.511 1.00 0.00 C ATOM 1393 CE1 PHE A 94 5.500 2.632 -2.333 1.00 0.00 C ATOM 1394 CE2 PHE A 94 4.578 4.768 -1.780 1.00 0.00 C ATOM 1395 CZ PHE A 94 4.540 3.390 -1.690 1.00 0.00 C ATOM 0 H PHE A 94 5.779 5.765 -6.362 1.00 0.00 H new ATOM 0 HA PHE A 94 8.530 5.099 -5.893 1.00 0.00 H new ATOM 0 HB2 PHE A 94 8.598 4.962 -3.596 1.00 0.00 H new ATOM 0 HB3 PHE A 94 7.586 6.382 -3.772 1.00 0.00 H new ATOM 0 HD1 PHE A 94 7.244 2.657 -3.562 1.00 0.00 H new ATOM 0 HD2 PHE A 94 5.601 6.462 -2.578 1.00 0.00 H new ATOM 0 HE1 PHE A 94 5.472 1.554 -2.266 1.00 0.00 H new ATOM 0 HE2 PHE A 94 3.829 5.363 -1.280 1.00 0.00 H new ATOM 0 HZ PHE A 94 3.762 2.906 -1.118 1.00 0.00 H new ATOM 1405 N SER A 95 7.833 2.718 -6.043 1.00 0.00 N ATOM 1406 CA SER A 95 7.414 1.348 -6.317 1.00 0.00 C ATOM 1407 C SER A 95 7.992 0.386 -5.283 1.00 0.00 C ATOM 1408 O SER A 95 9.038 0.650 -4.689 1.00 0.00 O ATOM 1409 CB SER A 95 7.853 0.929 -7.722 1.00 0.00 C ATOM 1410 OG SER A 95 9.256 1.060 -7.878 1.00 0.00 O ATOM 0 H SER A 95 8.837 2.876 -6.127 1.00 0.00 H new ATOM 0 HA SER A 95 6.326 1.308 -6.257 1.00 0.00 H new ATOM 0 HB2 SER A 95 7.558 -0.104 -7.906 1.00 0.00 H new ATOM 0 HB3 SER A 95 7.342 1.543 -8.464 1.00 0.00 H new ATOM 0 HG SER A 95 9.512 0.785 -8.783 1.00 0.00 H new ATOM 1416 N LEU A 96 7.304 -0.730 -5.074 1.00 0.00 N ATOM 1417 CA LEU A 96 7.747 -1.733 -4.112 1.00 0.00 C ATOM 1418 C LEU A 96 7.472 -3.142 -4.628 1.00 0.00 C ATOM 1419 O LEU A 96 6.547 -3.356 -5.411 1.00 0.00 O ATOM 1420 CB LEU A 96 7.046 -1.525 -2.768 1.00 0.00 C ATOM 1421 CG LEU A 96 5.584 -1.967 -2.698 1.00 0.00 C ATOM 1422 CD1 LEU A 96 5.489 -3.483 -2.615 1.00 0.00 C ATOM 1423 CD2 LEU A 96 4.888 -1.322 -1.508 1.00 0.00 C ATOM 0 H LEU A 96 6.437 -0.964 -5.558 1.00 0.00 H new ATOM 0 HA LEU A 96 8.822 -1.619 -3.976 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.605 -2.064 -2.002 1.00 0.00 H new ATOM 0 HB3 LEU A 96 7.097 -0.466 -2.514 1.00 0.00 H new ATOM 0 HG LEU A 96 5.081 -1.640 -3.608 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.441 -3.780 -2.566 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.950 -3.925 -3.498 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.007 -3.832 -1.722 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.848 -1.648 -1.474 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.391 -1.618 -0.588 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.925 -0.237 -1.609 1.00 0.00 H new ATOM 1435 N GLU A 97 8.281 -4.098 -4.183 1.00 0.00 N ATOM 1436 CA GLU A 97 8.123 -5.487 -4.600 1.00 0.00 C ATOM 1437 C GLU A 97 7.412 -6.301 -3.523 1.00 0.00 C ATOM 1438 O GLU A 97 7.639 -6.104 -2.328 1.00 0.00 O ATOM 1439 CB GLU A 97 9.487 -6.108 -4.907 1.00 0.00 C ATOM 1440 CG GLU A 97 9.404 -7.534 -5.425 1.00 0.00 C ATOM 1441 CD GLU A 97 10.600 -7.918 -6.274 1.00 0.00 C ATOM 1442 OE1 GLU A 97 11.595 -8.417 -5.707 1.00 0.00 O ATOM 1443 OE2 GLU A 97 10.542 -7.719 -7.505 1.00 0.00 O ATOM 0 H GLU A 97 9.052 -3.937 -3.535 1.00 0.00 H new ATOM 0 HA GLU A 97 7.513 -5.502 -5.503 1.00 0.00 H new ATOM 0 HB2 GLU A 97 10.000 -5.491 -5.645 1.00 0.00 H new ATOM 0 HB3 GLU A 97 10.095 -6.094 -4.003 1.00 0.00 H new ATOM 0 HG2 GLU A 97 9.328 -8.219 -4.581 1.00 0.00 H new ATOM 0 HG3 GLU A 97 8.494 -7.650 -6.013 1.00 0.00 H new ATOM 1450 N LEU A 98 6.549 -7.214 -3.954 1.00 0.00 N ATOM 1451 CA LEU A 98 5.803 -8.059 -3.027 1.00 0.00 C ATOM 1452 C LEU A 98 5.735 -9.496 -3.534 1.00 0.00 C ATOM 1453 O LEU A 98 5.134 -9.772 -4.572 1.00 0.00 O ATOM 1454 CB LEU A 98 4.389 -7.508 -2.831 1.00 0.00 C ATOM 1455 CG LEU A 98 3.442 -8.374 -2.000 1.00 0.00 C ATOM 1456 CD1 LEU A 98 3.972 -8.539 -0.584 1.00 0.00 C ATOM 1457 CD2 LEU A 98 2.045 -7.770 -1.981 1.00 0.00 C ATOM 0 H LEU A 98 6.348 -7.388 -4.939 1.00 0.00 H new ATOM 0 HA LEU A 98 6.325 -8.056 -2.070 1.00 0.00 H new ATOM 0 HB2 LEU A 98 4.464 -6.529 -2.357 1.00 0.00 H new ATOM 0 HB3 LEU A 98 3.941 -7.354 -3.813 1.00 0.00 H new ATOM 0 HG LEU A 98 3.384 -9.360 -2.461 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.284 -9.158 -0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 98 4.951 -9.017 -0.615 1.00 0.00 H new ATOM 0 HD13 LEU A 98 4.061 -7.560 -0.112 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.384 -8.400 -1.385 1.00 0.00 H new ATOM 0 HD22 LEU A 98 2.086 -6.772 -1.545 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.663 -7.705 -3.000 1.00 0.00 H new ATOM 1469 N VAL A 99 6.355 -10.409 -2.793 1.00 0.00 N ATOM 1470 CA VAL A 99 6.363 -11.819 -3.166 1.00 0.00 C ATOM 1471 C VAL A 99 5.262 -12.585 -2.440 1.00 0.00 C ATOM 1472 O VAL A 99 4.923 -12.273 -1.299 1.00 0.00 O ATOM 1473 CB VAL A 99 7.721 -12.474 -2.853 1.00 0.00 C ATOM 1474 CG1 VAL A 99 7.799 -13.862 -3.472 1.00 0.00 C ATOM 1475 CG2 VAL A 99 8.862 -11.597 -3.346 1.00 0.00 C ATOM 0 H VAL A 99 6.858 -10.198 -1.931 1.00 0.00 H new ATOM 0 HA VAL A 99 6.185 -11.864 -4.241 1.00 0.00 H new ATOM 0 HB VAL A 99 7.814 -12.578 -1.772 1.00 0.00 H new ATOM 0 HG11 VAL A 99 8.765 -14.310 -3.241 1.00 0.00 H new ATOM 0 HG12 VAL A 99 7.003 -14.487 -3.066 1.00 0.00 H new ATOM 0 HG13 VAL A 99 7.684 -13.785 -4.553 1.00 0.00 H new ATOM 0 HG21 VAL A 99 9.814 -12.075 -3.116 1.00 0.00 H new ATOM 0 HG22 VAL A 99 8.776 -11.459 -4.424 1.00 0.00 H new ATOM 0 HG23 VAL A 99 8.815 -10.627 -2.852 1.00 0.00 H new ATOM 1485 N VAL A 100 4.707 -13.589 -3.111 1.00 0.00 N ATOM 1486 CA VAL A 100 3.645 -14.402 -2.530 1.00 0.00 C ATOM 1487 C VAL A 100 3.918 -15.888 -2.731 1.00 0.00 C ATOM 1488 O VAL A 100 3.933 -16.380 -3.860 1.00 0.00 O ATOM 1489 CB VAL A 100 2.275 -14.055 -3.142 1.00 0.00 C ATOM 1490 CG1 VAL A 100 1.193 -14.963 -2.578 1.00 0.00 C ATOM 1491 CG2 VAL A 100 1.937 -12.593 -2.895 1.00 0.00 C ATOM 0 H VAL A 100 4.975 -13.859 -4.057 1.00 0.00 H new ATOM 0 HA VAL A 100 3.624 -14.181 -1.463 1.00 0.00 H new ATOM 0 HB VAL A 100 2.326 -14.216 -4.219 1.00 0.00 H new ATOM 0 HG11 VAL A 100 0.232 -14.703 -3.022 1.00 0.00 H new ATOM 0 HG12 VAL A 100 1.431 -16.001 -2.811 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.139 -14.837 -1.497 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.966 -12.365 -3.334 1.00 0.00 H new ATOM 0 HG22 VAL A 100 1.904 -12.403 -1.822 1.00 0.00 H new ATOM 0 HG23 VAL A 100 2.699 -11.961 -3.352 1.00 0.00 H new ATOM 1501 N ALA A 101 4.132 -16.600 -1.629 1.00 0.00 N ATOM 1502 CA ALA A 101 4.402 -18.031 -1.685 1.00 0.00 C ATOM 1503 C ALA A 101 3.107 -18.835 -1.642 1.00 0.00 C ATOM 1504 O ALA A 101 2.346 -18.753 -0.679 1.00 0.00 O ATOM 1505 CB ALA A 101 5.318 -18.440 -0.540 1.00 0.00 C ATOM 0 H ALA A 101 4.124 -16.209 -0.687 1.00 0.00 H new ATOM 0 HA ALA A 101 4.901 -18.246 -2.630 1.00 0.00 H new ATOM 0 HB1 ALA A 101 5.512 -19.511 -0.594 1.00 0.00 H new ATOM 0 HB2 ALA A 101 6.260 -17.897 -0.616 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.839 -18.205 0.411 1.00 0.00 H new ATOM 1511 N ALA A 102 2.864 -19.613 -2.692 1.00 0.00 N ATOM 1512 CA ALA A 102 1.662 -20.433 -2.773 1.00 0.00 C ATOM 1513 C ALA A 102 1.536 -21.344 -1.557 1.00 0.00 C ATOM 1514 O ALA A 102 2.522 -21.634 -0.880 1.00 0.00 O ATOM 1515 CB ALA A 102 1.671 -21.256 -4.053 1.00 0.00 C ATOM 0 H ALA A 102 3.484 -19.692 -3.498 1.00 0.00 H new ATOM 0 HA ALA A 102 0.798 -19.768 -2.787 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.768 -21.864 -4.101 1.00 0.00 H new ATOM 0 HB2 ALA A 102 1.706 -20.589 -4.914 1.00 0.00 H new ATOM 0 HB3 ALA A 102 2.546 -21.905 -4.062 1.00 0.00 H new