USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 666 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: B 78 ASN : amide:sc= 1.16 K(o=2.3,f=-5.6) USER MOD Set 1.2: B 81 LYS NZ :NH3+ -153:sc= 1.18 (180deg=0) USER MOD Set 2.1: B 63 THR OG1 : rot -61:sc= 0.959 USER MOD Set 2.2: B 66 SER OG : rot -81:sc= 2.23 USER MOD Set 2.3: B 71 GLN : amide:sc= 0.529 K(o=3.2,f=-1.2!) USER MOD Set 2.4: B 75 GLN : amide:sc= -0.486! C(o=3.2!,f=-4.7!) USER MOD Set 3.1: B 73 GLN : amide:sc= 0.0642 K(o=0.49,f=-0.51) USER MOD Set 3.2: B 74 GLN : amide:sc= 0.43 K(o=0.49,f=-6.9!) USER MOD Set 4.1: A 18 SER OG : rot 59:sc= 2.04 USER MOD Set 4.2: B 93 GLN : amide:sc= -0.97! K(o=1.1!,f=0.55) USER MOD Single : A 12 GLN : amide:sc= 1.11 K(o=1.1,f=-0.87) USER MOD Single : A 14 HIS : no HD1:sc= -1.48 K(o=-1.5,f=-5.8!) USER MOD Single : A 15 THR OG1 : rot 91:sc= 1.19 USER MOD Single : A 19 ASN : amide:sc= 1.52 K(o=1.5,f=-4.1!) USER MOD Single : A 20 THR OG1 : rot -75:sc= 1.22 USER MOD Single : A 23 THR OG1 : rot 86:sc= 1.15 USER MOD Single : B 51 SER OG : rot -24:sc= 0.266 USER MOD Single : B 53 SER OG : rot -33:sc= 1.04 USER MOD Single : B 55 SER OG : rot 180:sc=-0.000638 USER MOD Single : B 58 GLN : amide:sc= -0.055 X(o=-0.055,f=-0.055) USER MOD Single : B 65 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0393) USER MOD Single : B 68 SER OG : rot -68:sc= 1.99 USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 72 GLN : amide:sc= 1.15 K(o=1.1,f=-0.11) USER MOD Single : B 82 SER OG : rot -87:sc= 1.21 USER MOD Single : B 83 ASN : amide:sc= -1.19 K(o=-1.2,f=-10!) USER MOD Single : B 85 GLN : amide:sc= -0.0316 X(o=-0.032,f=-0.5) USER MOD Single : B 87 MET CE :methyl 158:sc= -1.13 (180deg=-3.01!) USER MOD Single : B 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 95 THR OG1 : rot 72:sc= 1.05 USER MOD Single : B 97 LYS NZ :NH3+ -172:sc= 1.2 (180deg=1.18) USER MOD Single : B 98 TYR OH : rot 102:sc= 1.13 USER MOD ----------------------------------------------------------------- ATOM 65 N GLU A 6 12.458 -10.280 -3.219 1.00 10.00 N ATOM 66 CA GLU A 6 11.357 -9.387 -3.569 1.00 10.00 C ATOM 67 C GLU A 6 10.178 -9.498 -2.612 1.00 10.00 C ATOM 68 O GLU A 6 9.557 -8.483 -2.352 1.00 10.00 O ATOM 69 CB GLU A 6 10.823 -9.640 -4.991 1.00 10.00 C ATOM 70 CG GLU A 6 11.785 -9.329 -6.148 1.00 10.00 C ATOM 71 CD GLU A 6 12.279 -7.882 -6.162 1.00 10.00 C ATOM 72 OE1 GLU A 6 11.429 -6.961 -6.259 1.00 10.00 O ATOM 73 OE2 GLU A 6 13.507 -7.677 -6.120 1.00 10.00 O ATOM 0 HA GLU A 6 11.789 -8.388 -3.504 1.00 10.00 H new ATOM 0 HB2 GLU A 6 10.528 -10.687 -5.064 1.00 10.00 H new ATOM 0 HB3 GLU A 6 9.920 -9.044 -5.128 1.00 10.00 H new ATOM 0 HG2 GLU A 6 12.644 -9.997 -6.084 1.00 10.00 H new ATOM 0 HG3 GLU A 6 11.285 -9.542 -7.093 1.00 10.00 H new ATOM 80 N ARG A 7 9.881 -10.682 -2.045 1.00 10.00 N ATOM 81 CA ARG A 7 8.797 -10.827 -1.058 1.00 10.00 C ATOM 82 C ARG A 7 9.056 -10.016 0.211 1.00 10.00 C ATOM 83 O ARG A 7 8.127 -9.413 0.748 1.00 10.00 O ATOM 84 CB ARG A 7 8.533 -12.308 -0.720 1.00 10.00 C ATOM 85 CG ARG A 7 7.041 -12.700 -0.809 1.00 10.00 C ATOM 86 CD ARG A 7 6.082 -11.884 0.073 1.00 10.00 C ATOM 87 NE ARG A 7 6.346 -11.992 1.513 1.00 10.00 N ATOM 88 CZ ARG A 7 6.008 -12.954 2.354 1.00 10.00 C ATOM 89 NH1 ARG A 7 5.491 -14.094 1.960 1.00 10.00 N ATOM 90 NH2 ARG A 7 6.137 -12.739 3.637 1.00 10.00 N ATOM 0 H ARG A 7 10.376 -11.549 -2.253 1.00 10.00 H new ATOM 0 HA ARG A 7 7.898 -10.421 -1.523 1.00 10.00 H new ATOM 0 HB2 ARG A 7 9.108 -12.937 -1.400 1.00 10.00 H new ATOM 0 HB3 ARG A 7 8.896 -12.514 0.287 1.00 10.00 H new ATOM 0 HG2 ARG A 7 6.721 -12.604 -1.846 1.00 10.00 H new ATOM 0 HG3 ARG A 7 6.944 -13.752 -0.541 1.00 10.00 H new ATOM 0 HD2 ARG A 7 6.143 -10.835 -0.218 1.00 10.00 H new ATOM 0 HD3 ARG A 7 5.061 -12.210 -0.123 1.00 10.00 H new ATOM 0 HE ARG A 7 6.864 -11.214 1.923 1.00 10.00 H new ATOM 0 HH11 ARG A 7 5.334 -14.267 0.967 1.00 10.00 H new ATOM 0 HH12 ARG A 7 5.246 -14.807 2.647 1.00 10.00 H new ATOM 0 HH21 ARG A 7 6.492 -11.843 3.971 1.00 10.00 H new ATOM 0 HH22 ARG A 7 5.882 -13.467 4.304 1.00 10.00 H new ATOM 104 N ALA A 8 10.307 -9.983 0.694 1.00 10.00 N ATOM 105 CA ALA A 8 10.696 -9.157 1.835 1.00 10.00 C ATOM 106 C ALA A 8 10.694 -7.661 1.479 1.00 10.00 C ATOM 107 O ALA A 8 10.225 -6.847 2.273 1.00 10.00 O ATOM 108 CB ALA A 8 12.085 -9.617 2.328 1.00 10.00 C ATOM 0 H ALA A 8 11.073 -10.530 0.301 1.00 10.00 H new ATOM 0 HA ALA A 8 9.966 -9.284 2.635 1.00 10.00 H new ATOM 0 HB1 ALA A 8 12.388 -9.009 3.180 1.00 10.00 H new ATOM 0 HB2 ALA A 8 12.036 -10.664 2.628 1.00 10.00 H new ATOM 0 HB3 ALA A 8 12.812 -9.504 1.524 1.00 10.00 H new ATOM 114 N LEU A 9 11.180 -7.309 0.281 1.00 10.00 N ATOM 115 CA LEU A 9 11.157 -5.928 -0.216 1.00 10.00 C ATOM 116 C LEU A 9 9.718 -5.415 -0.413 1.00 10.00 C ATOM 117 O LEU A 9 9.416 -4.290 -0.019 1.00 10.00 O ATOM 118 CB LEU A 9 11.972 -5.789 -1.527 1.00 10.00 C ATOM 119 CG LEU A 9 13.396 -6.374 -1.459 1.00 10.00 C ATOM 120 CD1 LEU A 9 14.110 -6.250 -2.800 1.00 10.00 C ATOM 121 CD2 LEU A 9 14.268 -5.740 -0.365 1.00 10.00 C ATOM 0 H LEU A 9 11.600 -7.973 -0.370 1.00 10.00 H new ATOM 0 HA LEU A 9 11.628 -5.307 0.546 1.00 10.00 H new ATOM 0 HB2 LEU A 9 11.428 -6.283 -2.332 1.00 10.00 H new ATOM 0 HB3 LEU A 9 12.039 -4.733 -1.788 1.00 10.00 H new ATOM 0 HG LEU A 9 13.261 -7.425 -1.204 1.00 10.00 H new ATOM 0 HD11 LEU A 9 15.112 -6.672 -2.719 1.00 10.00 H new ATOM 0 HD12 LEU A 9 13.549 -6.791 -3.562 1.00 10.00 H new ATOM 0 HD13 LEU A 9 14.180 -5.199 -3.079 1.00 10.00 H new ATOM 0 HD21 LEU A 9 15.256 -6.200 -0.375 1.00 10.00 H new ATOM 0 HD22 LEU A 9 14.364 -4.670 -0.551 1.00 10.00 H new ATOM 0 HD23 LEU A 9 13.804 -5.899 0.608 1.00 10.00 H new ATOM 133 N LEU A 10 8.832 -6.255 -0.953 1.00 10.00 N ATOM 134 CA LEU A 10 7.384 -6.090 -1.079 1.00 10.00 C ATOM 135 C LEU A 10 6.749 -5.913 0.299 1.00 10.00 C ATOM 136 O LEU A 10 5.968 -4.985 0.455 1.00 10.00 O ATOM 137 CB LEU A 10 6.852 -7.335 -1.817 1.00 10.00 C ATOM 138 CG LEU A 10 5.334 -7.430 -2.030 1.00 10.00 C ATOM 139 CD1 LEU A 10 4.877 -6.412 -3.049 1.00 10.00 C ATOM 140 CD2 LEU A 10 4.948 -8.822 -2.532 1.00 10.00 C ATOM 0 H LEU A 10 9.137 -7.145 -1.347 1.00 10.00 H new ATOM 0 HA LEU A 10 7.129 -5.195 -1.646 1.00 10.00 H new ATOM 0 HB2 LEU A 10 7.334 -7.380 -2.794 1.00 10.00 H new ATOM 0 HB3 LEU A 10 7.171 -8.218 -1.263 1.00 10.00 H new ATOM 0 HG LEU A 10 4.853 -7.236 -1.071 1.00 10.00 H new ATOM 0 HD11 LEU A 10 3.799 -6.494 -3.187 1.00 10.00 H new ATOM 0 HD12 LEU A 10 5.123 -5.410 -2.698 1.00 10.00 H new ATOM 0 HD13 LEU A 10 5.379 -6.597 -3.998 1.00 10.00 H new ATOM 0 HD21 LEU A 10 3.869 -8.870 -2.677 1.00 10.00 H new ATOM 0 HD22 LEU A 10 5.451 -9.020 -3.479 1.00 10.00 H new ATOM 0 HD23 LEU A 10 5.249 -9.570 -1.798 1.00 10.00 H new ATOM 152 N ASP A 11 7.076 -6.771 1.269 1.00 10.00 N ATOM 153 CA ASP A 11 6.581 -6.637 2.647 1.00 10.00 C ATOM 154 C ASP A 11 6.951 -5.299 3.279 1.00 10.00 C ATOM 155 O ASP A 11 6.046 -4.586 3.734 1.00 10.00 O ATOM 156 CB ASP A 11 7.018 -7.820 3.528 1.00 10.00 C ATOM 157 CG ASP A 11 6.188 -9.088 3.318 1.00 10.00 C ATOM 158 OD1 ASP A 11 4.975 -8.977 3.039 1.00 10.00 O ATOM 159 OD2 ASP A 11 6.761 -10.187 3.492 1.00 10.00 O ATOM 0 H ASP A 11 7.688 -7.575 1.126 1.00 10.00 H new ATOM 0 HA ASP A 11 5.493 -6.659 2.584 1.00 10.00 H new ATOM 0 HB2 ASP A 11 8.065 -8.045 3.324 1.00 10.00 H new ATOM 0 HB3 ASP A 11 6.953 -7.524 4.575 1.00 10.00 H new ATOM 164 N GLN A 12 8.242 -4.918 3.305 1.00 10.00 N ATOM 165 CA GLN A 12 8.618 -3.614 3.854 1.00 10.00 C ATOM 166 C GLN A 12 8.046 -2.428 3.060 1.00 10.00 C ATOM 167 O GLN A 12 7.706 -1.413 3.668 1.00 10.00 O ATOM 168 CB GLN A 12 10.135 -3.531 4.129 1.00 10.00 C ATOM 169 CG GLN A 12 11.088 -3.615 2.924 1.00 10.00 C ATOM 170 CD GLN A 12 11.311 -2.284 2.224 1.00 10.00 C ATOM 171 OE1 GLN A 12 11.864 -1.344 2.774 1.00 10.00 O ATOM 172 NE2 GLN A 12 10.918 -2.182 0.969 1.00 10.00 N ATOM 0 H GLN A 12 9.019 -5.482 2.961 1.00 10.00 H new ATOM 0 HA GLN A 12 8.135 -3.524 4.827 1.00 10.00 H new ATOM 0 HB2 GLN A 12 10.331 -2.592 4.646 1.00 10.00 H new ATOM 0 HB3 GLN A 12 10.395 -4.334 4.818 1.00 10.00 H new ATOM 0 HG2 GLN A 12 12.049 -4.004 3.259 1.00 10.00 H new ATOM 0 HG3 GLN A 12 10.688 -4.330 2.205 1.00 10.00 H new ATOM 0 HE21 GLN A 12 10.457 -2.969 0.513 1.00 10.00 H new ATOM 0 HE22 GLN A 12 11.076 -1.316 0.454 1.00 10.00 H new ATOM 181 N LEU A 13 7.843 -2.578 1.743 1.00 10.00 N ATOM 182 CA LEU A 13 7.241 -1.526 0.919 1.00 10.00 C ATOM 183 C LEU A 13 5.727 -1.420 1.125 1.00 10.00 C ATOM 184 O LEU A 13 5.207 -0.314 1.254 1.00 10.00 O ATOM 185 CB LEU A 13 7.659 -1.744 -0.542 1.00 10.00 C ATOM 186 CG LEU A 13 7.421 -0.575 -1.518 1.00 10.00 C ATOM 187 CD1 LEU A 13 8.056 0.731 -1.039 1.00 10.00 C ATOM 188 CD2 LEU A 13 8.076 -0.927 -2.858 1.00 10.00 C ATOM 0 H LEU A 13 8.089 -3.422 1.226 1.00 10.00 H new ATOM 0 HA LEU A 13 7.617 -0.552 1.233 1.00 10.00 H new ATOM 0 HB2 LEU A 13 8.721 -1.988 -0.558 1.00 10.00 H new ATOM 0 HB3 LEU A 13 7.126 -2.616 -0.921 1.00 10.00 H new ATOM 0 HG LEU A 13 6.343 -0.430 -1.596 1.00 10.00 H new ATOM 0 HD11 LEU A 13 7.857 1.520 -1.764 1.00 10.00 H new ATOM 0 HD12 LEU A 13 7.632 1.010 -0.074 1.00 10.00 H new ATOM 0 HD13 LEU A 13 9.133 0.596 -0.936 1.00 10.00 H new ATOM 0 HD21 LEU A 13 7.919 -0.112 -3.565 1.00 10.00 H new ATOM 0 HD22 LEU A 13 9.145 -1.080 -2.711 1.00 10.00 H new ATOM 0 HD23 LEU A 13 7.630 -1.840 -3.252 1.00 10.00 H new ATOM 200 N HIS A 14 4.986 -2.539 1.216 1.00 10.00 N ATOM 201 CA HIS A 14 3.548 -2.477 1.502 1.00 10.00 C ATOM 202 C HIS A 14 3.296 -2.082 2.956 1.00 10.00 C ATOM 203 O HIS A 14 2.311 -1.392 3.211 1.00 10.00 O ATOM 204 CB HIS A 14 2.776 -3.742 1.072 1.00 10.00 C ATOM 205 CG HIS A 14 2.824 -4.942 1.997 1.00 10.00 C ATOM 206 ND1 HIS A 14 2.390 -4.974 3.320 1.00 10.00 N ATOM 207 CD2 HIS A 14 3.246 -6.187 1.633 1.00 10.00 C ATOM 208 CE1 HIS A 14 2.620 -6.228 3.746 1.00 10.00 C ATOM 209 NE2 HIS A 14 3.116 -6.981 2.751 1.00 10.00 N ATOM 0 H HIS A 14 5.355 -3.482 1.097 1.00 10.00 H new ATOM 0 HA HIS A 14 3.136 -1.686 0.875 1.00 10.00 H new ATOM 0 HB2 HIS A 14 1.731 -3.467 0.933 1.00 10.00 H new ATOM 0 HB3 HIS A 14 3.156 -4.053 0.099 1.00 10.00 H new ATOM 0 HD2 HIS A 14 3.609 -6.490 0.662 1.00 10.00 H new ATOM 0 HE1 HIS A 14 2.432 -6.581 4.749 1.00 10.00 H new ATOM 0 HE2 HIS A 14 3.355 -7.971 2.812 1.00 10.00 H new ATOM 217 N THR A 15 4.217 -2.393 3.882 1.00 10.00 N ATOM 218 CA THR A 15 4.185 -1.877 5.260 1.00 10.00 C ATOM 219 C THR A 15 4.399 -0.371 5.277 1.00 10.00 C ATOM 220 O THR A 15 3.665 0.321 5.971 1.00 10.00 O ATOM 221 CB THR A 15 5.220 -2.516 6.196 1.00 10.00 C ATOM 222 OG1 THR A 15 5.232 -3.922 6.092 1.00 10.00 O ATOM 223 CG2 THR A 15 4.850 -2.230 7.652 1.00 10.00 C ATOM 0 H THR A 15 5.007 -3.011 3.696 1.00 10.00 H new ATOM 0 HA THR A 15 3.195 -2.141 5.633 1.00 10.00 H new ATOM 0 HB THR A 15 6.185 -2.097 5.911 1.00 10.00 H new ATOM 0 HG1 THR A 15 5.879 -4.194 5.408 1.00 10.00 H new ATOM 0 HG21 THR A 15 5.588 -2.686 8.311 1.00 10.00 H new ATOM 0 HG22 THR A 15 4.832 -1.153 7.818 1.00 10.00 H new ATOM 0 HG23 THR A 15 3.866 -2.647 7.866 1.00 10.00 H new ATOM 231 N LEU A 16 5.337 0.166 4.487 1.00 10.00 N ATOM 232 CA LEU A 16 5.489 1.612 4.323 1.00 10.00 C ATOM 233 C LEU A 16 4.182 2.256 3.846 1.00 10.00 C ATOM 234 O LEU A 16 3.760 3.221 4.477 1.00 10.00 O ATOM 235 CB LEU A 16 6.660 1.909 3.368 1.00 10.00 C ATOM 236 CG LEU A 16 6.823 3.400 3.022 1.00 10.00 C ATOM 237 CD1 LEU A 16 7.672 4.142 4.063 1.00 10.00 C ATOM 238 CD2 LEU A 16 7.461 3.497 1.643 1.00 10.00 C ATOM 0 H LEU A 16 6.005 -0.386 3.949 1.00 10.00 H new ATOM 0 HA LEU A 16 5.721 2.056 5.291 1.00 10.00 H new ATOM 0 HB2 LEU A 16 7.584 1.548 3.820 1.00 10.00 H new ATOM 0 HB3 LEU A 16 6.515 1.346 2.446 1.00 10.00 H new ATOM 0 HG LEU A 16 5.843 3.877 3.025 1.00 10.00 H new ATOM 0 HD11 LEU A 16 7.761 5.191 3.779 1.00 10.00 H new ATOM 0 HD12 LEU A 16 7.195 4.070 5.040 1.00 10.00 H new ATOM 0 HD13 LEU A 16 8.664 3.693 4.110 1.00 10.00 H new ATOM 0 HD21 LEU A 16 7.588 4.546 1.374 1.00 10.00 H new ATOM 0 HD22 LEU A 16 8.434 3.006 1.657 1.00 10.00 H new ATOM 0 HD23 LEU A 16 6.819 3.009 0.910 1.00 10.00 H new ATOM 250 N LEU A 17 3.509 1.757 2.800 1.00 10.00 N ATOM 251 CA LEU A 17 2.182 2.291 2.450 1.00 10.00 C ATOM 252 C LEU A 17 1.101 2.036 3.541 1.00 10.00 C ATOM 253 O LEU A 17 0.103 2.755 3.616 1.00 10.00 O ATOM 254 CB LEU A 17 1.696 1.786 1.084 1.00 10.00 C ATOM 255 CG LEU A 17 2.353 2.247 -0.241 1.00 10.00 C ATOM 256 CD1 LEU A 17 2.598 3.734 -0.367 1.00 10.00 C ATOM 257 CD2 LEU A 17 3.673 1.537 -0.549 1.00 10.00 C ATOM 0 H LEU A 17 3.847 1.007 2.196 1.00 10.00 H new ATOM 0 HA LEU A 17 2.321 3.370 2.389 1.00 10.00 H new ATOM 0 HB2 LEU A 17 1.765 0.698 1.108 1.00 10.00 H new ATOM 0 HB3 LEU A 17 0.638 2.037 1.014 1.00 10.00 H new ATOM 0 HG LEU A 17 1.590 1.965 -0.966 1.00 10.00 H new ATOM 0 HD11 LEU A 17 3.060 3.946 -1.331 1.00 10.00 H new ATOM 0 HD12 LEU A 17 1.650 4.266 -0.294 1.00 10.00 H new ATOM 0 HD13 LEU A 17 3.261 4.063 0.434 1.00 10.00 H new ATOM 0 HD21 LEU A 17 4.076 1.910 -1.491 1.00 10.00 H new ATOM 0 HD22 LEU A 17 4.386 1.731 0.252 1.00 10.00 H new ATOM 0 HD23 LEU A 17 3.499 0.464 -0.628 1.00 10.00 H new ATOM 269 N SER A 18 1.270 1.020 4.393 1.00 10.00 N ATOM 270 CA SER A 18 0.281 0.572 5.392 1.00 10.00 C ATOM 271 C SER A 18 0.459 1.151 6.794 1.00 10.00 C ATOM 272 O SER A 18 -0.425 0.983 7.619 1.00 10.00 O ATOM 273 CB SER A 18 0.358 -0.933 5.592 1.00 10.00 C ATOM 274 OG SER A 18 0.045 -1.612 4.394 1.00 10.00 O ATOM 0 H SER A 18 2.126 0.465 4.411 1.00 10.00 H new ATOM 0 HA SER A 18 -0.663 0.918 4.972 1.00 10.00 H new ATOM 0 HB2 SER A 18 1.359 -1.210 5.922 1.00 10.00 H new ATOM 0 HB3 SER A 18 -0.333 -1.236 6.379 1.00 10.00 H new ATOM 0 HG SER A 18 0.674 -1.344 3.692 1.00 10.00 H new ATOM 280 N ASN A 19 1.588 1.822 7.056 1.00 10.00 N ATOM 281 CA ASN A 19 2.147 2.310 8.327 1.00 10.00 C ATOM 282 C ASN A 19 1.173 2.941 9.356 1.00 10.00 C ATOM 283 O ASN A 19 1.528 3.085 10.528 1.00 10.00 O ATOM 284 CB ASN A 19 3.265 3.294 7.935 1.00 10.00 C ATOM 285 CG ASN A 19 2.685 4.652 7.511 1.00 10.00 C ATOM 286 OD1 ASN A 19 2.209 5.447 8.305 1.00 10.00 O ATOM 287 ND2 ASN A 19 2.650 4.929 6.226 1.00 10.00 N ATOM 0 H ASN A 19 2.210 2.067 6.286 1.00 10.00 H new ATOM 0 HA ASN A 19 2.491 1.438 8.882 1.00 10.00 H new ATOM 0 HB2 ASN A 19 3.943 3.432 8.777 1.00 10.00 H new ATOM 0 HB3 ASN A 19 3.852 2.875 7.118 1.00 10.00 H new ATOM 0 HD21 ASN A 19 2.228 5.800 5.903 1.00 10.00 H new ATOM 0 HD22 ASN A 19 3.044 4.273 5.552 1.00 10.00 H new ATOM 294 N THR A 20 -0.024 3.318 8.902 1.00 10.00 N ATOM 295 CA THR A 20 -1.289 3.765 9.510 1.00 10.00 C ATOM 296 C THR A 20 -1.681 5.167 9.045 1.00 10.00 C ATOM 297 O THR A 20 -2.861 5.493 9.141 1.00 10.00 O ATOM 298 CB THR A 20 -1.430 3.617 11.035 1.00 10.00 C ATOM 299 OG1 THR A 20 -0.397 4.278 11.717 1.00 10.00 O ATOM 300 CG2 THR A 20 -1.476 2.146 11.470 1.00 10.00 C ATOM 0 H THR A 20 -0.151 3.315 7.890 1.00 10.00 H new ATOM 0 HA THR A 20 -2.005 3.039 9.126 1.00 10.00 H new ATOM 0 HB THR A 20 -2.380 4.083 11.299 1.00 10.00 H new ATOM 0 HG1 THR A 20 0.429 3.755 11.647 1.00 10.00 H new ATOM 0 HG21 THR A 20 -1.576 2.090 12.554 1.00 10.00 H new ATOM 0 HG22 THR A 20 -2.328 1.654 11.001 1.00 10.00 H new ATOM 0 HG23 THR A 20 -0.556 1.647 11.164 1.00 10.00 H new ATOM 308 N ASP A 21 -0.773 5.955 8.430 1.00 10.00 N ATOM 309 CA ASP A 21 -1.125 7.250 7.847 1.00 10.00 C ATOM 310 C ASP A 21 -2.253 7.141 6.804 1.00 10.00 C ATOM 311 O ASP A 21 -2.459 6.125 6.123 1.00 10.00 O ATOM 312 CB ASP A 21 0.122 7.967 7.296 1.00 10.00 C ATOM 313 CG ASP A 21 -0.135 9.392 6.767 1.00 10.00 C ATOM 314 OD1 ASP A 21 -1.058 10.081 7.276 1.00 10.00 O ATOM 315 OD2 ASP A 21 0.547 9.777 5.793 1.00 10.00 O ATOM 0 H ASP A 21 0.211 5.708 8.329 1.00 10.00 H new ATOM 0 HA ASP A 21 -1.526 7.869 8.650 1.00 10.00 H new ATOM 0 HB2 ASP A 21 0.874 8.017 8.084 1.00 10.00 H new ATOM 0 HB3 ASP A 21 0.544 7.366 6.491 1.00 10.00 H new ATOM 320 N ALA A 22 -3.009 8.229 6.705 1.00 10.00 N ATOM 321 CA ALA A 22 -4.125 8.465 5.804 1.00 10.00 C ATOM 322 C ALA A 22 -4.167 9.916 5.305 1.00 10.00 C ATOM 323 O ALA A 22 -4.999 10.221 4.472 1.00 10.00 O ATOM 324 CB ALA A 22 -5.426 8.098 6.520 1.00 10.00 C ATOM 0 H ALA A 22 -2.840 9.036 7.306 1.00 10.00 H new ATOM 0 HA ALA A 22 -3.998 7.837 4.922 1.00 10.00 H new ATOM 0 HB1 ALA A 22 -6.270 8.271 5.853 1.00 10.00 H new ATOM 0 HB2 ALA A 22 -5.400 7.047 6.806 1.00 10.00 H new ATOM 0 HB3 ALA A 22 -5.537 8.714 7.412 1.00 10.00 H new ATOM 330 N THR A 23 -3.246 10.796 5.712 1.00 10.00 N ATOM 331 CA THR A 23 -3.303 12.251 5.482 1.00 10.00 C ATOM 332 C THR A 23 -3.556 12.627 4.023 1.00 10.00 C ATOM 333 O THR A 23 -4.507 13.351 3.740 1.00 10.00 O ATOM 334 CB THR A 23 -2.028 12.913 6.049 1.00 10.00 C ATOM 335 OG1 THR A 23 -1.798 12.505 7.376 1.00 10.00 O ATOM 336 CG2 THR A 23 -2.126 14.438 6.058 1.00 10.00 C ATOM 0 H THR A 23 -2.413 10.511 6.227 1.00 10.00 H new ATOM 0 HA THR A 23 -4.170 12.638 6.018 1.00 10.00 H new ATOM 0 HB THR A 23 -1.213 12.600 5.396 1.00 10.00 H new ATOM 0 HG1 THR A 23 -1.290 11.667 7.377 1.00 10.00 H new ATOM 0 HG21 THR A 23 -1.207 14.859 6.465 1.00 10.00 H new ATOM 0 HG22 THR A 23 -2.271 14.799 5.040 1.00 10.00 H new ATOM 0 HG23 THR A 23 -2.970 14.745 6.676 1.00 10.00 H new ATOM 344 N GLY A 24 -2.693 12.175 3.118 1.00 10.00 N ATOM 345 CA GLY A 24 -2.890 12.232 1.667 1.00 10.00 C ATOM 346 C GLY A 24 -3.138 10.831 1.104 1.00 10.00 C ATOM 347 O GLY A 24 -3.807 10.700 0.088 1.00 10.00 O ATOM 0 H GLY A 24 -1.806 11.744 3.380 1.00 10.00 H new ATOM 0 HA2 GLY A 24 -3.736 12.879 1.434 1.00 10.00 H new ATOM 0 HA3 GLY A 24 -2.013 12.671 1.192 1.00 10.00 H new ATOM 351 N LEU A 25 -2.685 9.773 1.807 1.00 10.00 N ATOM 352 CA LEU A 25 -3.020 8.378 1.514 1.00 10.00 C ATOM 353 C LEU A 25 -4.525 8.120 1.352 1.00 10.00 C ATOM 354 O LEU A 25 -4.876 7.323 0.490 1.00 10.00 O ATOM 355 CB LEU A 25 -2.391 7.448 2.555 1.00 10.00 C ATOM 356 CG LEU A 25 -0.905 7.151 2.300 1.00 10.00 C ATOM 357 CD1 LEU A 25 -0.131 6.979 3.607 1.00 10.00 C ATOM 358 CD2 LEU A 25 -0.792 5.846 1.491 1.00 10.00 C ATOM 0 H LEU A 25 -2.064 9.874 2.610 1.00 10.00 H new ATOM 0 HA LEU A 25 -2.591 8.154 0.537 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -2.498 7.897 3.542 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -2.943 6.508 2.570 1.00 10.00 H new ATOM 0 HG LEU A 25 -0.479 7.994 1.755 1.00 10.00 H new ATOM 0 HD11 LEU A 25 0.916 6.770 3.385 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -0.202 7.894 4.195 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -0.554 6.150 4.174 1.00 10.00 H new ATOM 0 HD21 LEU A 25 0.259 5.624 1.303 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -1.241 5.028 2.055 1.00 10.00 H new ATOM 0 HD23 LEU A 25 -1.314 5.961 0.541 1.00 10.00 H new ATOM 370 N GLU A 26 -5.389 8.834 2.078 1.00 10.00 N ATOM 371 CA GLU A 26 -6.838 8.850 1.865 1.00 10.00 C ATOM 372 C GLU A 26 -7.206 9.076 0.392 1.00 10.00 C ATOM 373 O GLU A 26 -7.849 8.219 -0.214 1.00 10.00 O ATOM 374 CB GLU A 26 -7.403 9.922 2.813 1.00 10.00 C ATOM 375 CG GLU A 26 -8.864 10.317 2.609 1.00 10.00 C ATOM 376 CD GLU A 26 -9.815 9.144 2.862 1.00 10.00 C ATOM 377 OE1 GLU A 26 -9.860 8.656 4.013 1.00 10.00 O ATOM 378 OE2 GLU A 26 -10.525 8.766 1.909 1.00 10.00 O ATOM 0 H GLU A 26 -5.093 9.432 2.849 1.00 10.00 H new ATOM 0 HA GLU A 26 -7.282 7.882 2.095 1.00 10.00 H new ATOM 0 HB2 GLU A 26 -7.286 9.566 3.837 1.00 10.00 H new ATOM 0 HB3 GLU A 26 -6.791 10.819 2.716 1.00 10.00 H new ATOM 0 HG2 GLU A 26 -9.115 11.138 3.280 1.00 10.00 H new ATOM 0 HG3 GLU A 26 -9.002 10.683 1.592 1.00 10.00 H new ATOM 385 N GLU A 27 -6.738 10.161 -0.226 1.00 10.00 N ATOM 386 CA GLU A 27 -6.924 10.474 -1.643 1.00 10.00 C ATOM 387 C GLU A 27 -6.494 9.315 -2.553 1.00 10.00 C ATOM 388 O GLU A 27 -7.238 8.915 -3.446 1.00 10.00 O ATOM 389 CB GLU A 27 -6.138 11.763 -1.939 1.00 10.00 C ATOM 390 CG GLU A 27 -6.303 12.333 -3.350 1.00 10.00 C ATOM 391 CD GLU A 27 -5.167 13.326 -3.630 1.00 10.00 C ATOM 392 OE1 GLU A 27 -4.097 12.850 -4.080 1.00 10.00 O ATOM 393 OE2 GLU A 27 -5.336 14.542 -3.383 1.00 10.00 O ATOM 0 H GLU A 27 -6.198 10.873 0.266 1.00 10.00 H new ATOM 0 HA GLU A 27 -7.983 10.625 -1.854 1.00 10.00 H new ATOM 0 HB2 GLU A 27 -6.443 12.525 -1.222 1.00 10.00 H new ATOM 0 HB3 GLU A 27 -5.079 11.568 -1.767 1.00 10.00 H new ATOM 0 HG2 GLU A 27 -6.287 11.528 -4.084 1.00 10.00 H new ATOM 0 HG3 GLU A 27 -7.268 12.831 -3.443 1.00 10.00 H new ATOM 400 N ILE A 28 -5.317 8.731 -2.278 1.00 10.00 N ATOM 401 CA ILE A 28 -4.763 7.595 -3.021 1.00 10.00 C ATOM 402 C ILE A 28 -5.684 6.366 -2.878 1.00 10.00 C ATOM 403 O ILE A 28 -5.956 5.663 -3.850 1.00 10.00 O ATOM 404 CB ILE A 28 -3.346 7.193 -2.541 1.00 10.00 C ATOM 405 CG1 ILE A 28 -2.494 8.437 -2.235 1.00 10.00 C ATOM 406 CG2 ILE A 28 -2.689 6.314 -3.631 1.00 10.00 C ATOM 407 CD1 ILE A 28 -1.034 8.130 -1.927 1.00 10.00 C ATOM 0 H ILE A 28 -4.714 9.044 -1.517 1.00 10.00 H new ATOM 0 HA ILE A 28 -4.694 7.917 -4.060 1.00 10.00 H new ATOM 0 HB ILE A 28 -3.419 6.625 -1.614 1.00 10.00 H new ATOM 0 HG12 ILE A 28 -2.540 9.114 -3.088 1.00 10.00 H new ATOM 0 HG13 ILE A 28 -2.930 8.963 -1.386 1.00 10.00 H new ATOM 0 HG21 ILE A 28 -1.689 6.022 -3.309 1.00 10.00 H new ATOM 0 HG22 ILE A 28 -3.294 5.422 -3.792 1.00 10.00 H new ATOM 0 HG23 ILE A 28 -2.620 6.878 -4.561 1.00 10.00 H new ATOM 0 HD11 ILE A 28 -0.502 9.059 -1.722 1.00 10.00 H new ATOM 0 HD12 ILE A 28 -0.975 7.479 -1.055 1.00 10.00 H new ATOM 0 HD13 ILE A 28 -0.578 7.632 -2.783 1.00 10.00 H new ATOM 419 N ASP A 29 -6.147 6.106 -1.651 1.00 10.00 N ATOM 420 CA ASP A 29 -7.054 5.013 -1.329 1.00 10.00 C ATOM 421 C ASP A 29 -8.388 5.192 -2.074 1.00 10.00 C ATOM 422 O ASP A 29 -8.871 4.237 -2.685 1.00 10.00 O ATOM 423 CB ASP A 29 -7.271 4.933 0.190 1.00 10.00 C ATOM 424 CG ASP A 29 -6.047 4.541 1.046 1.00 10.00 C ATOM 425 OD1 ASP A 29 -5.218 3.707 0.630 1.00 10.00 O ATOM 426 OD2 ASP A 29 -6.014 4.964 2.228 1.00 10.00 O ATOM 0 H ASP A 29 -5.892 6.667 -0.838 1.00 10.00 H new ATOM 0 HA ASP A 29 -6.609 4.073 -1.656 1.00 10.00 H new ATOM 0 HB2 ASP A 29 -7.630 5.903 0.534 1.00 10.00 H new ATOM 0 HB3 ASP A 29 -8.066 4.212 0.383 1.00 10.00 H new ATOM 431 N ARG A 30 -8.986 6.406 -2.073 1.00 10.00 N ATOM 432 CA ARG A 30 -10.198 6.696 -2.865 1.00 10.00 C ATOM 433 C ARG A 30 -9.945 6.511 -4.358 1.00 10.00 C ATOM 434 O ARG A 30 -10.771 5.903 -5.037 1.00 10.00 O ATOM 435 CB ARG A 30 -10.786 8.104 -2.639 1.00 10.00 C ATOM 436 CG ARG A 30 -10.744 8.610 -1.207 1.00 10.00 C ATOM 437 CD ARG A 30 -11.862 9.598 -0.848 1.00 10.00 C ATOM 438 NE ARG A 30 -13.188 8.961 -0.757 1.00 10.00 N ATOM 439 CZ ARG A 30 -13.679 8.287 0.279 1.00 10.00 C ATOM 440 NH1 ARG A 30 -12.985 8.033 1.354 1.00 10.00 N ATOM 441 NH2 ARG A 30 -14.917 7.850 0.269 1.00 10.00 N ATOM 0 H ARG A 30 -8.646 7.200 -1.531 1.00 10.00 H new ATOM 0 HA ARG A 30 -10.932 5.974 -2.506 1.00 10.00 H new ATOM 0 HB2 ARG A 30 -10.246 8.809 -3.271 1.00 10.00 H new ATOM 0 HB3 ARG A 30 -11.823 8.104 -2.975 1.00 10.00 H new ATOM 0 HG2 ARG A 30 -10.800 7.756 -0.532 1.00 10.00 H new ATOM 0 HG3 ARG A 30 -9.782 9.091 -1.033 1.00 10.00 H new ATOM 0 HD2 ARG A 30 -11.627 10.073 0.105 1.00 10.00 H new ATOM 0 HD3 ARG A 30 -11.896 10.388 -1.598 1.00 10.00 H new ATOM 0 HE ARG A 30 -13.792 9.046 -1.574 1.00 10.00 H new ATOM 0 HH11 ARG A 30 -12.020 8.356 1.426 1.00 10.00 H new ATOM 0 HH12 ARG A 30 -13.407 7.512 2.122 1.00 10.00 H new ATOM 0 HH21 ARG A 30 -15.514 8.026 -0.539 1.00 10.00 H new ATOM 0 HH22 ARG A 30 -15.282 7.334 1.070 1.00 10.00 H new ATOM 455 N ALA A 31 -8.802 7.001 -4.853 1.00 10.00 N ATOM 456 CA ALA A 31 -8.389 6.872 -6.250 1.00 10.00 C ATOM 457 C ALA A 31 -8.273 5.417 -6.730 1.00 10.00 C ATOM 458 O ALA A 31 -8.335 5.175 -7.932 1.00 10.00 O ATOM 459 CB ALA A 31 -7.071 7.629 -6.466 1.00 10.00 C ATOM 0 H ALA A 31 -8.127 7.508 -4.280 1.00 10.00 H new ATOM 0 HA ALA A 31 -9.178 7.315 -6.858 1.00 10.00 H new ATOM 0 HB1 ALA A 31 -6.763 7.533 -7.507 1.00 10.00 H new ATOM 0 HB2 ALA A 31 -7.213 8.683 -6.225 1.00 10.00 H new ATOM 0 HB3 ALA A 31 -6.300 7.210 -5.819 1.00 10.00 H new ATOM 465 N LEU A 32 -8.149 4.441 -5.815 1.00 10.00 N ATOM 466 CA LEU A 32 -8.214 3.002 -6.114 1.00 10.00 C ATOM 467 C LEU A 32 -9.443 2.313 -5.503 1.00 10.00 C ATOM 468 O LEU A 32 -9.484 1.090 -5.418 1.00 10.00 O ATOM 469 CB LEU A 32 -6.886 2.312 -5.739 1.00 10.00 C ATOM 470 CG LEU A 32 -5.624 2.917 -6.377 1.00 10.00 C ATOM 471 CD1 LEU A 32 -4.436 2.131 -5.824 1.00 10.00 C ATOM 472 CD2 LEU A 32 -5.630 2.828 -7.905 1.00 10.00 C ATOM 0 H LEU A 32 -7.997 4.636 -4.825 1.00 10.00 H new ATOM 0 HA LEU A 32 -8.348 2.897 -7.191 1.00 10.00 H new ATOM 0 HB2 LEU A 32 -6.774 2.342 -4.655 1.00 10.00 H new ATOM 0 HB3 LEU A 32 -6.949 1.262 -6.024 1.00 10.00 H new ATOM 0 HG LEU A 32 -5.572 3.978 -6.134 1.00 10.00 H new ATOM 0 HD11 LEU A 32 -3.511 2.523 -6.248 1.00 10.00 H new ATOM 0 HD12 LEU A 32 -4.408 2.229 -4.739 1.00 10.00 H new ATOM 0 HD13 LEU A 32 -4.540 1.079 -6.090 1.00 10.00 H new ATOM 0 HD21 LEU A 32 -4.715 3.271 -8.299 1.00 10.00 H new ATOM 0 HD22 LEU A 32 -5.687 1.783 -8.208 1.00 10.00 H new ATOM 0 HD23 LEU A 32 -6.492 3.367 -8.297 1.00 10.00 H new ATOM 484 N GLY A 33 -10.461 3.075 -5.068 1.00 10.00 N ATOM 485 CA GLY A 33 -11.749 2.580 -4.571 1.00 10.00 C ATOM 486 C GLY A 33 -11.681 1.863 -3.211 1.00 10.00 C ATOM 487 O GLY A 33 -12.648 1.217 -2.803 1.00 10.00 O ATOM 0 H GLY A 33 -10.403 4.093 -5.054 1.00 10.00 H new ATOM 0 HA2 GLY A 33 -12.439 3.420 -4.489 1.00 10.00 H new ATOM 0 HA3 GLY A 33 -12.168 1.894 -5.307 1.00 10.00 H new ATOM 491 N ILE A 34 -10.559 1.952 -2.504 1.00 10.00 N ATOM 492 CA ILE A 34 -10.263 1.160 -1.298 1.00 10.00 C ATOM 493 C ILE A 34 -11.320 1.336 -0.186 1.00 10.00 C ATOM 494 O ILE A 34 -11.785 0.315 0.330 1.00 10.00 O ATOM 495 CB ILE A 34 -8.799 1.390 -0.849 1.00 10.00 C ATOM 496 CG1 ILE A 34 -7.852 1.064 -2.032 1.00 10.00 C ATOM 497 CG2 ILE A 34 -8.463 0.527 0.367 1.00 10.00 C ATOM 498 CD1 ILE A 34 -6.364 1.160 -1.719 1.00 10.00 C ATOM 0 H ILE A 34 -9.805 2.592 -2.754 1.00 10.00 H new ATOM 0 HA ILE A 34 -10.342 0.103 -1.551 1.00 10.00 H new ATOM 0 HB ILE A 34 -8.670 2.432 -0.558 1.00 10.00 H new ATOM 0 HG12 ILE A 34 -8.069 0.055 -2.382 1.00 10.00 H new ATOM 0 HG13 ILE A 34 -8.078 1.742 -2.855 1.00 10.00 H new ATOM 0 HG21 ILE A 34 -7.430 0.705 0.665 1.00 10.00 H new ATOM 0 HG22 ILE A 34 -9.128 0.785 1.191 1.00 10.00 H new ATOM 0 HG23 ILE A 34 -8.591 -0.525 0.113 1.00 10.00 H new ATOM 0 HD11 ILE A 34 -5.788 0.913 -2.611 1.00 10.00 H new ATOM 0 HD12 ILE A 34 -6.124 2.174 -1.401 1.00 10.00 H new ATOM 0 HD13 ILE A 34 -6.114 0.461 -0.921 1.00 10.00 H new ATOM 510 N PRO A 35 -11.799 2.547 0.151 1.00 10.00 N ATOM 511 CA PRO A 35 -12.929 2.708 1.067 1.00 10.00 C ATOM 512 C PRO A 35 -14.247 2.054 0.613 1.00 10.00 C ATOM 513 O PRO A 35 -15.053 1.653 1.448 1.00 10.00 O ATOM 514 CB PRO A 35 -13.106 4.212 1.260 1.00 10.00 C ATOM 515 CG PRO A 35 -11.716 4.762 0.941 1.00 10.00 C ATOM 516 CD PRO A 35 -11.253 3.852 -0.192 1.00 10.00 C ATOM 0 HA PRO A 35 -12.696 2.183 1.993 1.00 10.00 H new ATOM 0 HB2 PRO A 35 -13.865 4.619 0.592 1.00 10.00 H new ATOM 0 HB3 PRO A 35 -13.413 4.456 2.277 1.00 10.00 H new ATOM 0 HG2 PRO A 35 -11.754 5.807 0.633 1.00 10.00 H new ATOM 0 HG3 PRO A 35 -11.051 4.708 1.803 1.00 10.00 H new ATOM 0 HD2 PRO A 35 -11.624 4.198 -1.157 1.00 10.00 H new ATOM 0 HD3 PRO A 35 -10.166 3.823 -0.260 1.00 10.00 H new ATOM 524 N GLU A 36 -14.462 1.882 -0.700 1.00 10.00 N ATOM 525 CA GLU A 36 -15.601 1.104 -1.206 1.00 10.00 C ATOM 526 C GLU A 36 -15.336 -0.404 -1.073 1.00 10.00 C ATOM 527 O GLU A 36 -16.238 -1.133 -0.675 1.00 10.00 O ATOM 528 CB GLU A 36 -15.978 1.506 -2.648 1.00 10.00 C ATOM 529 CG GLU A 36 -17.167 0.740 -3.251 1.00 10.00 C ATOM 530 CD GLU A 36 -18.455 0.779 -2.407 1.00 10.00 C ATOM 531 OE1 GLU A 36 -18.654 1.741 -1.634 1.00 10.00 O ATOM 532 OE2 GLU A 36 -19.256 -0.170 -2.515 1.00 10.00 O ATOM 0 H GLU A 36 -13.863 2.271 -1.429 1.00 10.00 H new ATOM 0 HA GLU A 36 -16.467 1.339 -0.587 1.00 10.00 H new ATOM 0 HB2 GLU A 36 -16.207 2.571 -2.663 1.00 10.00 H new ATOM 0 HB3 GLU A 36 -15.109 1.358 -3.289 1.00 10.00 H new ATOM 0 HG2 GLU A 36 -17.383 1.151 -4.237 1.00 10.00 H new ATOM 0 HG3 GLU A 36 -16.875 -0.300 -3.396 1.00 10.00 H new ATOM 539 N LEU A 37 -14.101 -0.871 -1.279 1.00 10.00 N ATOM 540 CA LEU A 37 -13.718 -2.251 -0.949 1.00 10.00 C ATOM 541 C LEU A 37 -13.935 -2.547 0.553 1.00 10.00 C ATOM 542 O LEU A 37 -14.361 -3.650 0.914 1.00 10.00 O ATOM 543 CB LEU A 37 -12.266 -2.519 -1.403 1.00 10.00 C ATOM 544 CG LEU A 37 -11.981 -2.366 -2.910 1.00 10.00 C ATOM 545 CD1 LEU A 37 -10.504 -2.670 -3.175 1.00 10.00 C ATOM 546 CD2 LEU A 37 -12.834 -3.273 -3.792 1.00 10.00 C ATOM 0 H LEU A 37 -13.345 -0.312 -1.674 1.00 10.00 H new ATOM 0 HA LEU A 37 -14.365 -2.940 -1.493 1.00 10.00 H new ATOM 0 HB2 LEU A 37 -11.607 -1.841 -0.860 1.00 10.00 H new ATOM 0 HB3 LEU A 37 -11.996 -3.532 -1.105 1.00 10.00 H new ATOM 0 HG LEU A 37 -12.235 -1.339 -3.171 1.00 10.00 H new ATOM 0 HD11 LEU A 37 -10.296 -2.563 -4.240 1.00 10.00 H new ATOM 0 HD12 LEU A 37 -9.883 -1.973 -2.612 1.00 10.00 H new ATOM 0 HD13 LEU A 37 -10.281 -3.690 -2.862 1.00 10.00 H new ATOM 0 HD21 LEU A 37 -12.577 -3.109 -4.839 1.00 10.00 H new ATOM 0 HD22 LEU A 37 -12.647 -4.315 -3.531 1.00 10.00 H new ATOM 0 HD23 LEU A 37 -13.888 -3.044 -3.637 1.00 10.00 H new ATOM 558 N VAL A 38 -13.716 -1.549 1.425 1.00 10.00 N ATOM 559 CA VAL A 38 -14.074 -1.588 2.860 1.00 10.00 C ATOM 560 C VAL A 38 -15.593 -1.587 3.063 1.00 10.00 C ATOM 561 O VAL A 38 -16.093 -2.420 3.818 1.00 10.00 O ATOM 562 CB VAL A 38 -13.429 -0.428 3.648 1.00 10.00 C ATOM 563 CG1 VAL A 38 -13.896 -0.392 5.103 1.00 10.00 C ATOM 564 CG2 VAL A 38 -11.906 -0.499 3.616 1.00 10.00 C ATOM 0 H VAL A 38 -13.275 -0.671 1.150 1.00 10.00 H new ATOM 0 HA VAL A 38 -13.676 -2.524 3.253 1.00 10.00 H new ATOM 0 HB VAL A 38 -13.754 0.486 3.152 1.00 10.00 H new ATOM 0 HG11 VAL A 38 -13.416 0.440 5.619 1.00 10.00 H new ATOM 0 HG12 VAL A 38 -14.978 -0.263 5.135 1.00 10.00 H new ATOM 0 HG13 VAL A 38 -13.627 -1.327 5.595 1.00 10.00 H new ATOM 0 HG21 VAL A 38 -11.491 0.335 4.182 1.00 10.00 H new ATOM 0 HG22 VAL A 38 -11.576 -1.438 4.060 1.00 10.00 H new ATOM 0 HG23 VAL A 38 -11.561 -0.444 2.584 1.00 10.00 H new ATOM 765 N SER B 51 12.501 -8.947 -10.941 1.00 10.00 N ATOM 766 CA SER B 51 12.533 -8.242 -9.680 1.00 10.00 C ATOM 767 C SER B 51 11.616 -7.047 -9.896 1.00 10.00 C ATOM 768 O SER B 51 11.865 -6.231 -10.791 1.00 10.00 O ATOM 769 CB SER B 51 13.969 -7.810 -9.342 1.00 10.00 C ATOM 770 OG SER B 51 14.630 -7.267 -10.468 1.00 10.00 O ATOM 0 HA SER B 51 12.206 -8.854 -8.839 1.00 10.00 H new ATOM 0 HB2 SER B 51 13.948 -7.071 -8.541 1.00 10.00 H new ATOM 0 HB3 SER B 51 14.529 -8.668 -8.970 1.00 10.00 H new ATOM 0 HG SER B 51 14.213 -7.606 -11.287 1.00 10.00 H new ATOM 776 N ILE B 52 10.508 -6.979 -9.147 1.00 10.00 N ATOM 777 CA ILE B 52 9.451 -5.984 -9.397 1.00 10.00 C ATOM 778 C ILE B 52 9.709 -4.696 -8.613 1.00 10.00 C ATOM 779 O ILE B 52 9.220 -3.646 -9.011 1.00 10.00 O ATOM 780 CB ILE B 52 8.037 -6.516 -9.082 1.00 10.00 C ATOM 781 CG1 ILE B 52 7.904 -7.328 -7.766 1.00 10.00 C ATOM 782 CG2 ILE B 52 7.488 -7.242 -10.321 1.00 10.00 C ATOM 783 CD1 ILE B 52 8.054 -8.840 -7.892 1.00 10.00 C ATOM 0 H ILE B 52 10.318 -7.601 -8.361 1.00 10.00 H new ATOM 0 HA ILE B 52 9.487 -5.769 -10.465 1.00 10.00 H new ATOM 0 HB ILE B 52 7.408 -5.652 -8.867 1.00 10.00 H new ATOM 0 HG12 ILE B 52 8.654 -6.966 -7.063 1.00 10.00 H new ATOM 0 HG13 ILE B 52 6.928 -7.115 -7.329 1.00 10.00 H new ATOM 0 HG21 ILE B 52 6.489 -7.621 -10.107 1.00 10.00 H new ATOM 0 HG22 ILE B 52 7.441 -6.547 -11.159 1.00 10.00 H new ATOM 0 HG23 ILE B 52 8.145 -8.074 -10.576 1.00 10.00 H new ATOM 0 HD11 ILE B 52 7.942 -9.300 -6.910 1.00 10.00 H new ATOM 0 HD12 ILE B 52 7.287 -9.227 -8.563 1.00 10.00 H new ATOM 0 HD13 ILE B 52 9.040 -9.076 -8.293 1.00 10.00 H new ATOM 795 N SER B 53 10.516 -4.749 -7.550 1.00 10.00 N ATOM 796 CA SER B 53 10.757 -3.622 -6.656 1.00 10.00 C ATOM 797 C SER B 53 12.081 -2.870 -6.737 1.00 10.00 C ATOM 798 O SER B 53 12.090 -1.816 -6.138 1.00 10.00 O ATOM 799 CB SER B 53 10.583 -4.065 -5.195 1.00 10.00 C ATOM 800 OG SER B 53 11.612 -4.967 -4.834 1.00 10.00 O ATOM 0 H SER B 53 11.027 -5.591 -7.285 1.00 10.00 H new ATOM 0 HA SER B 53 10.015 -2.908 -7.014 1.00 10.00 H new ATOM 0 HB2 SER B 53 10.604 -3.195 -4.538 1.00 10.00 H new ATOM 0 HB3 SER B 53 9.610 -4.540 -5.064 1.00 10.00 H new ATOM 0 HG SER B 53 11.863 -5.506 -5.613 1.00 10.00 H new ATOM 806 N PRO B 54 13.163 -3.238 -7.443 1.00 10.00 N ATOM 807 CA PRO B 54 14.465 -2.573 -7.256 1.00 10.00 C ATOM 808 C PRO B 54 14.496 -1.071 -7.560 1.00 10.00 C ATOM 809 O PRO B 54 15.342 -0.359 -7.014 1.00 10.00 O ATOM 810 CB PRO B 54 15.437 -3.379 -8.117 1.00 10.00 C ATOM 811 CG PRO B 54 14.538 -3.883 -9.238 1.00 10.00 C ATOM 812 CD PRO B 54 13.243 -4.217 -8.501 1.00 10.00 C ATOM 0 HA PRO B 54 14.735 -2.575 -6.200 1.00 10.00 H new ATOM 0 HB2 PRO B 54 16.252 -2.762 -8.496 1.00 10.00 H new ATOM 0 HB3 PRO B 54 15.890 -4.199 -7.560 1.00 10.00 H new ATOM 0 HG2 PRO B 54 14.384 -3.125 -10.006 1.00 10.00 H new ATOM 0 HG3 PRO B 54 14.960 -4.757 -9.734 1.00 10.00 H new ATOM 0 HD2 PRO B 54 12.381 -4.154 -9.165 1.00 10.00 H new ATOM 0 HD3 PRO B 54 13.264 -5.231 -8.102 1.00 10.00 H new ATOM 820 N SER B 55 13.558 -0.574 -8.370 1.00 10.00 N ATOM 821 CA SER B 55 13.347 0.854 -8.557 1.00 10.00 C ATOM 822 C SER B 55 12.521 1.436 -7.409 1.00 10.00 C ATOM 823 O SER B 55 12.947 2.365 -6.732 1.00 10.00 O ATOM 824 CB SER B 55 12.629 1.100 -9.889 1.00 10.00 C ATOM 825 OG SER B 55 11.487 0.252 -9.996 1.00 10.00 O ATOM 0 H SER B 55 12.923 -1.158 -8.915 1.00 10.00 H new ATOM 0 HA SER B 55 14.318 1.349 -8.569 1.00 10.00 H new ATOM 0 HB2 SER B 55 12.324 2.144 -9.959 1.00 10.00 H new ATOM 0 HB3 SER B 55 13.311 0.911 -10.718 1.00 10.00 H new ATOM 0 HG SER B 55 11.035 0.418 -10.849 1.00 10.00 H new ATOM 831 N ALA B 56 11.325 0.883 -7.201 1.00 10.00 N ATOM 832 CA ALA B 56 10.376 1.291 -6.168 1.00 10.00 C ATOM 833 C ALA B 56 10.968 1.198 -4.736 1.00 10.00 C ATOM 834 O ALA B 56 10.631 1.982 -3.850 1.00 10.00 O ATOM 835 CB ALA B 56 9.127 0.414 -6.341 1.00 10.00 C ATOM 0 H ALA B 56 10.979 0.110 -7.770 1.00 10.00 H new ATOM 0 HA ALA B 56 10.124 2.345 -6.287 1.00 10.00 H new ATOM 0 HB1 ALA B 56 8.386 0.683 -5.588 1.00 10.00 H new ATOM 0 HB2 ALA B 56 8.708 0.570 -7.335 1.00 10.00 H new ATOM 0 HB3 ALA B 56 9.400 -0.635 -6.223 1.00 10.00 H new ATOM 841 N LEU B 57 11.932 0.298 -4.541 1.00 10.00 N ATOM 842 CA LEU B 57 12.768 0.101 -3.367 1.00 10.00 C ATOM 843 C LEU B 57 13.564 1.362 -3.023 1.00 10.00 C ATOM 844 O LEU B 57 13.797 1.622 -1.844 1.00 10.00 O ATOM 845 CB LEU B 57 13.695 -1.076 -3.725 1.00 10.00 C ATOM 846 CG LEU B 57 14.838 -1.453 -2.786 1.00 10.00 C ATOM 847 CD1 LEU B 57 14.290 -2.016 -1.481 1.00 10.00 C ATOM 848 CD2 LEU B 57 15.694 -2.501 -3.520 1.00 10.00 C ATOM 0 H LEU B 57 12.165 -0.373 -5.273 1.00 10.00 H new ATOM 0 HA LEU B 57 12.172 -0.112 -2.480 1.00 10.00 H new ATOM 0 HB2 LEU B 57 13.068 -1.959 -3.845 1.00 10.00 H new ATOM 0 HB3 LEU B 57 14.132 -0.861 -4.700 1.00 10.00 H new ATOM 0 HG LEU B 57 15.438 -0.580 -2.530 1.00 10.00 H new ATOM 0 HD11 LEU B 57 15.118 -2.280 -0.823 1.00 10.00 H new ATOM 0 HD12 LEU B 57 13.665 -1.267 -0.996 1.00 10.00 H new ATOM 0 HD13 LEU B 57 13.695 -2.905 -1.690 1.00 10.00 H new ATOM 0 HD21 LEU B 57 16.527 -2.801 -2.884 1.00 10.00 H new ATOM 0 HD22 LEU B 57 15.082 -3.373 -3.752 1.00 10.00 H new ATOM 0 HD23 LEU B 57 16.080 -2.072 -4.445 1.00 10.00 H new ATOM 860 N GLN B 58 13.966 2.137 -4.034 1.00 10.00 N ATOM 861 CA GLN B 58 14.538 3.474 -3.864 1.00 10.00 C ATOM 862 C GLN B 58 13.421 4.529 -3.894 1.00 10.00 C ATOM 863 O GLN B 58 13.218 5.267 -2.930 1.00 10.00 O ATOM 864 CB GLN B 58 15.562 3.747 -4.988 1.00 10.00 C ATOM 865 CG GLN B 58 16.782 2.826 -4.932 1.00 10.00 C ATOM 866 CD GLN B 58 17.640 3.024 -3.684 1.00 10.00 C ATOM 867 OE1 GLN B 58 17.719 2.179 -2.814 1.00 10.00 O ATOM 868 NE2 GLN B 58 18.317 4.149 -3.546 1.00 10.00 N ATOM 0 H GLN B 58 13.902 1.847 -5.010 1.00 10.00 H new ATOM 0 HA GLN B 58 15.045 3.530 -2.901 1.00 10.00 H new ATOM 0 HB2 GLN B 58 15.071 3.629 -5.954 1.00 10.00 H new ATOM 0 HB3 GLN B 58 15.894 4.783 -4.923 1.00 10.00 H new ATOM 0 HG2 GLN B 58 16.447 1.790 -4.972 1.00 10.00 H new ATOM 0 HG3 GLN B 58 17.396 2.996 -5.816 1.00 10.00 H new ATOM 0 HE21 GLN B 58 18.262 4.869 -4.267 1.00 10.00 H new ATOM 0 HE22 GLN B 58 18.895 4.298 -2.719 1.00 10.00 H new ATOM 877 N ASP B 59 12.691 4.579 -5.013 1.00 10.00 N ATOM 878 CA ASP B 59 11.751 5.643 -5.350 1.00 10.00 C ATOM 879 C ASP B 59 10.351 5.599 -4.708 1.00 10.00 C ATOM 880 O ASP B 59 9.876 6.652 -4.291 1.00 10.00 O ATOM 881 CB ASP B 59 11.595 5.694 -6.879 1.00 10.00 C ATOM 882 CG ASP B 59 11.746 7.142 -7.355 1.00 10.00 C ATOM 883 OD1 ASP B 59 12.719 7.818 -6.945 1.00 10.00 O ATOM 884 OD2 ASP B 59 10.799 7.660 -7.983 1.00 10.00 O ATOM 0 H ASP B 59 12.743 3.855 -5.729 1.00 10.00 H new ATOM 0 HA ASP B 59 12.203 6.538 -4.922 1.00 10.00 H new ATOM 0 HB2 ASP B 59 12.346 5.063 -7.354 1.00 10.00 H new ATOM 0 HB3 ASP B 59 10.620 5.303 -7.170 1.00 10.00 H new ATOM 889 N LEU B 60 9.693 4.441 -4.599 1.00 10.00 N ATOM 890 CA LEU B 60 8.375 4.372 -3.946 1.00 10.00 C ATOM 891 C LEU B 60 8.575 4.553 -2.435 1.00 10.00 C ATOM 892 O LEU B 60 7.799 5.244 -1.765 1.00 10.00 O ATOM 893 CB LEU B 60 7.680 3.061 -4.312 1.00 10.00 C ATOM 894 CG LEU B 60 6.202 2.915 -3.918 1.00 10.00 C ATOM 895 CD1 LEU B 60 5.377 4.193 -3.967 1.00 10.00 C ATOM 896 CD2 LEU B 60 5.529 1.919 -4.860 1.00 10.00 C ATOM 0 H LEU B 60 10.042 3.548 -4.948 1.00 10.00 H new ATOM 0 HA LEU B 60 7.718 5.170 -4.293 1.00 10.00 H new ATOM 0 HB2 LEU B 60 7.756 2.928 -5.391 1.00 10.00 H new ATOM 0 HB3 LEU B 60 8.235 2.244 -3.850 1.00 10.00 H new ATOM 0 HG LEU B 60 6.226 2.590 -2.878 1.00 10.00 H new ATOM 0 HD11 LEU B 60 4.351 3.975 -3.670 1.00 10.00 H new ATOM 0 HD12 LEU B 60 5.804 4.928 -3.285 1.00 10.00 H new ATOM 0 HD13 LEU B 60 5.385 4.592 -4.981 1.00 10.00 H new ATOM 0 HD21 LEU B 60 4.480 1.811 -4.586 1.00 10.00 H new ATOM 0 HD22 LEU B 60 5.601 2.282 -5.885 1.00 10.00 H new ATOM 0 HD23 LEU B 60 6.026 0.952 -4.782 1.00 10.00 H new ATOM 908 N LEU B 61 9.693 3.999 -1.936 1.00 10.00 N ATOM 909 CA LEU B 61 10.202 4.213 -0.587 1.00 10.00 C ATOM 910 C LEU B 61 10.372 5.719 -0.313 1.00 10.00 C ATOM 911 O LEU B 61 9.703 6.243 0.572 1.00 10.00 O ATOM 912 CB LEU B 61 11.484 3.372 -0.397 1.00 10.00 C ATOM 913 CG LEU B 61 11.663 2.857 1.049 1.00 10.00 C ATOM 914 CD1 LEU B 61 10.957 1.510 1.278 1.00 10.00 C ATOM 915 CD2 LEU B 61 13.145 2.622 1.358 1.00 10.00 C ATOM 0 H LEU B 61 10.280 3.371 -2.485 1.00 10.00 H new ATOM 0 HA LEU B 61 9.491 3.868 0.164 1.00 10.00 H new ATOM 0 HB2 LEU B 61 11.458 2.522 -1.078 1.00 10.00 H new ATOM 0 HB3 LEU B 61 12.350 3.974 -0.672 1.00 10.00 H new ATOM 0 HG LEU B 61 11.231 3.623 1.693 1.00 10.00 H new ATOM 0 HD11 LEU B 61 11.111 1.189 2.308 1.00 10.00 H new ATOM 0 HD12 LEU B 61 9.889 1.622 1.089 1.00 10.00 H new ATOM 0 HD13 LEU B 61 11.369 0.763 0.600 1.00 10.00 H new ATOM 0 HD21 LEU B 61 13.250 2.260 2.381 1.00 10.00 H new ATOM 0 HD22 LEU B 61 13.548 1.881 0.667 1.00 10.00 H new ATOM 0 HD23 LEU B 61 13.693 3.558 1.246 1.00 10.00 H new ATOM 927 N ARG B 62 11.186 6.441 -1.108 1.00 10.00 N ATOM 928 CA ARG B 62 11.323 7.902 -1.115 1.00 10.00 C ATOM 929 C ARG B 62 9.965 8.623 -1.140 1.00 10.00 C ATOM 930 O ARG B 62 9.719 9.536 -0.340 1.00 10.00 O ATOM 931 CB ARG B 62 12.197 8.230 -2.342 1.00 10.00 C ATOM 932 CG ARG B 62 12.392 9.712 -2.614 1.00 10.00 C ATOM 933 CD ARG B 62 12.833 10.064 -4.048 1.00 10.00 C ATOM 934 NE ARG B 62 11.880 9.653 -5.109 1.00 10.00 N ATOM 935 CZ ARG B 62 10.586 9.907 -5.229 1.00 10.00 C ATOM 936 NH1 ARG B 62 9.943 10.730 -4.441 1.00 10.00 N ATOM 937 NH2 ARG B 62 9.853 9.337 -6.144 1.00 10.00 N ATOM 0 H ARG B 62 11.794 5.994 -1.795 1.00 10.00 H new ATOM 0 HA ARG B 62 11.789 8.259 -0.197 1.00 10.00 H new ATOM 0 HB2 ARG B 62 13.175 7.769 -2.206 1.00 10.00 H new ATOM 0 HB3 ARG B 62 11.748 7.770 -3.222 1.00 10.00 H new ATOM 0 HG2 ARG B 62 11.457 10.230 -2.401 1.00 10.00 H new ATOM 0 HG3 ARG B 62 13.136 10.098 -1.917 1.00 10.00 H new ATOM 0 HD2 ARG B 62 12.985 11.141 -4.113 1.00 10.00 H new ATOM 0 HD3 ARG B 62 13.797 9.594 -4.243 1.00 10.00 H new ATOM 0 HE ARG B 62 12.282 9.090 -5.858 1.00 10.00 H new ATOM 0 HH11 ARG B 62 10.440 11.211 -3.691 1.00 10.00 H new ATOM 0 HH12 ARG B 62 8.945 10.891 -4.576 1.00 10.00 H new ATOM 0 HH21 ARG B 62 10.274 8.673 -6.794 1.00 10.00 H new ATOM 0 HH22 ARG B 62 8.859 9.555 -6.210 1.00 10.00 H new ATOM 951 N THR B 63 9.086 8.216 -2.060 1.00 10.00 N ATOM 952 CA THR B 63 7.749 8.766 -2.332 1.00 10.00 C ATOM 953 C THR B 63 6.767 8.693 -1.172 1.00 10.00 C ATOM 954 O THR B 63 5.825 9.489 -1.183 1.00 10.00 O ATOM 955 CB THR B 63 7.192 8.112 -3.611 1.00 10.00 C ATOM 956 OG1 THR B 63 7.553 8.926 -4.706 1.00 10.00 O ATOM 957 CG2 THR B 63 5.716 7.789 -3.765 1.00 10.00 C ATOM 0 H THR B 63 9.303 7.437 -2.681 1.00 10.00 H new ATOM 0 HA THR B 63 7.873 9.839 -2.480 1.00 10.00 H new ATOM 0 HB THR B 63 7.638 7.119 -3.552 1.00 10.00 H new ATOM 0 HG1 THR B 63 7.153 9.814 -4.599 1.00 10.00 H new ATOM 0 HG21 THR B 63 5.543 7.334 -4.740 1.00 10.00 H new ATOM 0 HG22 THR B 63 5.412 7.095 -2.982 1.00 10.00 H new ATOM 0 HG23 THR B 63 5.132 8.706 -3.684 1.00 10.00 H new ATOM 965 N LEU B 64 6.993 7.822 -0.172 1.00 10.00 N ATOM 966 CA LEU B 64 6.236 7.809 1.082 1.00 10.00 C ATOM 967 C LEU B 64 7.085 8.084 2.337 1.00 10.00 C ATOM 968 O LEU B 64 6.532 8.436 3.372 1.00 10.00 O ATOM 969 CB LEU B 64 5.405 6.526 1.223 1.00 10.00 C ATOM 970 CG LEU B 64 3.957 6.845 1.626 1.00 10.00 C ATOM 971 CD1 LEU B 64 3.113 7.187 0.393 1.00 10.00 C ATOM 972 CD2 LEU B 64 3.354 5.676 2.400 1.00 10.00 C ATOM 0 H LEU B 64 7.714 7.102 -0.217 1.00 10.00 H new ATOM 0 HA LEU B 64 5.550 8.653 1.016 1.00 10.00 H new ATOM 0 HB2 LEU B 64 5.411 5.980 0.280 1.00 10.00 H new ATOM 0 HB3 LEU B 64 5.859 5.876 1.971 1.00 10.00 H new ATOM 0 HG LEU B 64 3.961 7.719 2.278 1.00 10.00 H new ATOM 0 HD11 LEU B 64 2.092 7.409 0.702 1.00 10.00 H new ATOM 0 HD12 LEU B 64 3.538 8.056 -0.109 1.00 10.00 H new ATOM 0 HD13 LEU B 64 3.109 6.339 -0.292 1.00 10.00 H new ATOM 0 HD21 LEU B 64 2.328 5.915 2.679 1.00 10.00 H new ATOM 0 HD22 LEU B 64 3.361 4.783 1.775 1.00 10.00 H new ATOM 0 HD23 LEU B 64 3.942 5.493 3.300 1.00 10.00 H new ATOM 984 N LYS B 65 8.421 7.961 2.259 1.00 10.00 N ATOM 985 CA LYS B 65 9.352 8.447 3.293 1.00 10.00 C ATOM 986 C LYS B 65 9.133 9.957 3.443 1.00 10.00 C ATOM 987 O LYS B 65 9.195 10.500 4.542 1.00 10.00 O ATOM 988 CB LYS B 65 10.805 8.096 2.920 1.00 10.00 C ATOM 989 CG LYS B 65 11.207 6.723 3.487 1.00 10.00 C ATOM 990 CD LYS B 65 12.668 6.399 3.158 1.00 10.00 C ATOM 991 CE LYS B 65 13.078 5.123 3.906 1.00 10.00 C ATOM 992 NZ LYS B 65 14.518 4.815 3.712 1.00 10.00 N ATOM 0 H LYS B 65 8.890 7.517 1.469 1.00 10.00 H new ATOM 0 HA LYS B 65 9.161 7.963 4.251 1.00 10.00 H new ATOM 0 HB2 LYS B 65 10.914 8.091 1.835 1.00 10.00 H new ATOM 0 HB3 LYS B 65 11.478 8.863 3.305 1.00 10.00 H new ATOM 0 HG2 LYS B 65 11.064 6.716 4.568 1.00 10.00 H new ATOM 0 HG3 LYS B 65 10.558 5.951 3.074 1.00 10.00 H new ATOM 0 HD2 LYS B 65 12.790 6.261 2.084 1.00 10.00 H new ATOM 0 HD3 LYS B 65 13.312 7.229 3.448 1.00 10.00 H new ATOM 0 HE2 LYS B 65 12.871 5.241 4.970 1.00 10.00 H new ATOM 0 HE3 LYS B 65 12.476 4.285 3.555 1.00 10.00 H new ATOM 0 HZ1 LYS B 65 14.734 3.888 4.130 1.00 10.00 H new ATOM 0 HZ2 LYS B 65 14.735 4.795 2.695 1.00 10.00 H new ATOM 0 HZ3 LYS B 65 15.095 5.546 4.175 1.00 10.00 H new ATOM 1006 N SER B 66 8.877 10.618 2.312 1.00 10.00 N ATOM 1007 CA SER B 66 8.355 11.978 2.248 1.00 10.00 C ATOM 1008 C SER B 66 6.843 11.759 2.518 1.00 10.00 C ATOM 1009 O SER B 66 6.174 11.123 1.700 1.00 10.00 O ATOM 1010 CB SER B 66 8.684 12.626 0.898 1.00 10.00 C ATOM 1011 OG SER B 66 8.447 11.793 -0.224 1.00 10.00 O ATOM 0 H SER B 66 9.033 10.207 1.391 1.00 10.00 H new ATOM 0 HA SER B 66 8.788 12.679 2.961 1.00 10.00 H new ATOM 0 HB2 SER B 66 8.093 13.535 0.791 1.00 10.00 H new ATOM 0 HB3 SER B 66 9.732 12.925 0.898 1.00 10.00 H new ATOM 0 HG SER B 66 9.202 11.179 -0.341 1.00 10.00 H new ATOM 1017 N PRO B 67 6.291 12.180 3.672 1.00 10.00 N ATOM 1018 CA PRO B 67 4.947 11.777 4.087 1.00 10.00 C ATOM 1019 C PRO B 67 3.801 12.316 3.246 1.00 10.00 C ATOM 1020 O PRO B 67 3.908 13.370 2.625 1.00 10.00 O ATOM 1021 CB PRO B 67 4.852 12.178 5.563 1.00 10.00 C ATOM 1022 CG PRO B 67 5.743 13.419 5.630 1.00 10.00 C ATOM 1023 CD PRO B 67 6.858 13.106 4.627 1.00 10.00 C ATOM 0 HA PRO B 67 4.823 10.705 3.935 1.00 10.00 H new ATOM 0 HB2 PRO B 67 3.826 12.399 5.858 1.00 10.00 H new ATOM 0 HB3 PRO B 67 5.209 11.387 6.222 1.00 10.00 H new ATOM 0 HG2 PRO B 67 5.197 14.322 5.356 1.00 10.00 H new ATOM 0 HG3 PRO B 67 6.137 13.577 6.634 1.00 10.00 H new ATOM 0 HD2 PRO B 67 7.203 14.014 4.132 1.00 10.00 H new ATOM 0 HD3 PRO B 67 7.721 12.669 5.128 1.00 10.00 H new ATOM 1031 N SER B 68 2.670 11.595 3.293 1.00 10.00 N ATOM 1032 CA SER B 68 1.513 11.770 2.404 1.00 10.00 C ATOM 1033 C SER B 68 0.864 13.161 2.418 1.00 10.00 C ATOM 1034 O SER B 68 0.153 13.485 1.476 1.00 10.00 O ATOM 1035 CB SER B 68 0.489 10.666 2.650 1.00 10.00 C ATOM 1036 OG SER B 68 -0.311 10.877 3.796 1.00 10.00 O ATOM 0 H SER B 68 2.532 10.849 3.975 1.00 10.00 H new ATOM 0 HA SER B 68 1.913 11.687 1.393 1.00 10.00 H new ATOM 0 HB2 SER B 68 -0.158 10.582 1.777 1.00 10.00 H new ATOM 0 HB3 SER B 68 1.011 9.715 2.753 1.00 10.00 H new ATOM 0 HG SER B 68 0.242 10.793 4.601 1.00 10.00 H new ATOM 1042 N SER B 69 1.149 13.995 3.429 1.00 10.00 N ATOM 1043 CA SER B 69 0.613 15.344 3.594 1.00 10.00 C ATOM 1044 C SER B 69 0.699 16.193 2.306 1.00 10.00 C ATOM 1045 O SER B 69 -0.361 16.477 1.747 1.00 10.00 O ATOM 1046 CB SER B 69 1.201 15.990 4.857 1.00 10.00 C ATOM 1047 OG SER B 69 0.805 17.342 4.955 1.00 10.00 O ATOM 0 H SER B 69 1.785 13.732 4.182 1.00 10.00 H new ATOM 0 HA SER B 69 -0.463 15.282 3.760 1.00 10.00 H new ATOM 0 HB2 SER B 69 0.869 15.443 5.740 1.00 10.00 H new ATOM 0 HB3 SER B 69 2.289 15.925 4.832 1.00 10.00 H new ATOM 0 HG SER B 69 1.187 17.737 5.766 1.00 10.00 H new ATOM 1053 N PRO B 70 1.884 16.605 1.798 1.00 10.00 N ATOM 1054 CA PRO B 70 1.996 17.195 0.462 1.00 10.00 C ATOM 1055 C PRO B 70 2.031 16.120 -0.637 1.00 10.00 C ATOM 1056 O PRO B 70 1.752 16.410 -1.796 1.00 10.00 O ATOM 1057 CB PRO B 70 3.315 17.974 0.497 1.00 10.00 C ATOM 1058 CG PRO B 70 4.170 17.161 1.464 1.00 10.00 C ATOM 1059 CD PRO B 70 3.159 16.679 2.500 1.00 10.00 C ATOM 0 HA PRO B 70 1.138 17.826 0.228 1.00 10.00 H new ATOM 0 HB2 PRO B 70 3.772 18.037 -0.490 1.00 10.00 H new ATOM 0 HB3 PRO B 70 3.171 18.996 0.848 1.00 10.00 H new ATOM 0 HG2 PRO B 70 4.662 16.327 0.963 1.00 10.00 H new ATOM 0 HG3 PRO B 70 4.953 17.768 1.918 1.00 10.00 H new ATOM 0 HD2 PRO B 70 3.443 15.706 2.901 1.00 10.00 H new ATOM 0 HD3 PRO B 70 3.103 17.368 3.343 1.00 10.00 H new ATOM 1067 N GLN B 71 2.381 14.874 -0.285 1.00 10.00 N ATOM 1068 CA GLN B 71 2.595 13.762 -1.210 1.00 10.00 C ATOM 1069 C GLN B 71 1.279 13.075 -1.612 1.00 10.00 C ATOM 1070 O GLN B 71 1.029 11.917 -1.275 1.00 10.00 O ATOM 1071 CB GLN B 71 3.676 12.830 -0.624 1.00 10.00 C ATOM 1072 CG GLN B 71 5.077 13.465 -0.645 1.00 10.00 C ATOM 1073 CD GLN B 71 5.703 13.476 -2.035 1.00 10.00 C ATOM 1074 OE1 GLN B 71 5.189 14.039 -2.985 1.00 10.00 O ATOM 1075 NE2 GLN B 71 6.834 12.826 -2.220 1.00 10.00 N ATOM 0 H GLN B 71 2.527 14.608 0.689 1.00 10.00 H new ATOM 0 HA GLN B 71 2.977 14.130 -2.162 1.00 10.00 H new ATOM 0 HB2 GLN B 71 3.412 12.574 0.402 1.00 10.00 H new ATOM 0 HB3 GLN B 71 3.694 11.899 -1.191 1.00 10.00 H new ATOM 0 HG2 GLN B 71 5.012 14.488 -0.273 1.00 10.00 H new ATOM 0 HG3 GLN B 71 5.728 12.918 0.037 1.00 10.00 H new ATOM 0 HE21 GLN B 71 7.281 12.348 -1.438 1.00 10.00 H new ATOM 0 HE22 GLN B 71 7.262 12.801 -3.145 1.00 10.00 H new ATOM 1084 N GLN B 72 0.489 13.817 -2.400 1.00 10.00 N ATOM 1085 CA GLN B 72 -0.716 13.385 -3.119 1.00 10.00 C ATOM 1086 C GLN B 72 -0.502 12.190 -4.063 1.00 10.00 C ATOM 1087 O GLN B 72 0.623 11.787 -4.371 1.00 10.00 O ATOM 1088 CB GLN B 72 -1.238 14.579 -3.921 1.00 10.00 C ATOM 1089 CG GLN B 72 -1.944 15.647 -3.088 1.00 10.00 C ATOM 1090 CD GLN B 72 -2.575 16.670 -4.029 1.00 10.00 C ATOM 1091 OE1 GLN B 72 -1.872 17.457 -4.649 1.00 10.00 O ATOM 1092 NE2 GLN B 72 -3.881 16.650 -4.218 1.00 10.00 N ATOM 0 H GLN B 72 0.690 14.804 -2.563 1.00 10.00 H new ATOM 0 HA GLN B 72 -1.430 13.042 -2.371 1.00 10.00 H new ATOM 0 HB2 GLN B 72 -0.402 15.041 -4.446 1.00 10.00 H new ATOM 0 HB3 GLN B 72 -1.929 14.215 -4.681 1.00 10.00 H new ATOM 0 HG2 GLN B 72 -2.709 15.191 -2.460 1.00 10.00 H new ATOM 0 HG3 GLN B 72 -1.234 16.136 -2.421 1.00 10.00 H new ATOM 0 HE21 GLN B 72 -4.461 15.992 -3.698 1.00 10.00 H new ATOM 0 HE22 GLN B 72 -4.310 17.293 -4.884 1.00 10.00 H new ATOM 1101 N GLN B 73 -1.625 11.648 -4.553 1.00 10.00 N ATOM 1102 CA GLN B 73 -1.685 10.391 -5.304 1.00 10.00 C ATOM 1103 C GLN B 73 -0.791 10.314 -6.536 1.00 10.00 C ATOM 1104 O GLN B 73 -0.172 9.268 -6.714 1.00 10.00 O ATOM 1105 CB GLN B 73 -3.154 9.989 -5.572 1.00 10.00 C ATOM 1106 CG GLN B 73 -3.854 10.316 -6.911 1.00 10.00 C ATOM 1107 CD GLN B 73 -3.625 11.704 -7.487 1.00 10.00 C ATOM 1108 OE1 GLN B 73 -3.369 11.833 -8.679 1.00 10.00 O ATOM 1109 NE2 GLN B 73 -3.646 12.758 -6.702 1.00 10.00 N ATOM 0 H GLN B 73 -2.539 12.084 -4.434 1.00 10.00 H new ATOM 0 HA GLN B 73 -1.240 9.636 -4.656 1.00 10.00 H new ATOM 0 HB2 GLN B 73 -3.215 8.909 -5.439 1.00 10.00 H new ATOM 0 HB3 GLN B 73 -3.754 10.442 -4.783 1.00 10.00 H new ATOM 0 HG2 GLN B 73 -3.529 9.584 -7.651 1.00 10.00 H new ATOM 0 HG3 GLN B 73 -4.927 10.178 -6.775 1.00 10.00 H new ATOM 0 HE21 GLN B 73 -3.859 12.651 -5.710 1.00 10.00 H new ATOM 0 HE22 GLN B 73 -3.449 13.683 -7.085 1.00 10.00 H new ATOM 1118 N GLN B 74 -0.652 11.382 -7.338 1.00 10.00 N ATOM 1119 CA GLN B 74 0.003 11.309 -8.645 1.00 10.00 C ATOM 1120 C GLN B 74 1.373 10.623 -8.620 1.00 10.00 C ATOM 1121 O GLN B 74 1.578 9.648 -9.349 1.00 10.00 O ATOM 1122 CB GLN B 74 0.039 12.681 -9.354 1.00 10.00 C ATOM 1123 CG GLN B 74 0.648 13.888 -8.595 1.00 10.00 C ATOM 1124 CD GLN B 74 -0.297 14.607 -7.633 1.00 10.00 C ATOM 1125 OE1 GLN B 74 -1.369 14.145 -7.294 1.00 10.00 O ATOM 1126 NE2 GLN B 74 0.078 15.779 -7.155 1.00 10.00 N ATOM 0 H GLN B 74 -0.990 12.314 -7.096 1.00 10.00 H new ATOM 0 HA GLN B 74 -0.626 10.653 -9.247 1.00 10.00 H new ATOM 0 HB2 GLN B 74 0.594 12.559 -10.284 1.00 10.00 H new ATOM 0 HB3 GLN B 74 -0.984 12.941 -9.625 1.00 10.00 H new ATOM 0 HG2 GLN B 74 1.515 13.541 -8.033 1.00 10.00 H new ATOM 0 HG3 GLN B 74 1.011 14.609 -9.327 1.00 10.00 H new ATOM 0 HE21 GLN B 74 0.975 16.179 -7.431 1.00 10.00 H new ATOM 0 HE22 GLN B 74 -0.529 16.285 -6.510 1.00 10.00 H new ATOM 1135 N GLN B 75 2.285 11.066 -7.753 1.00 10.00 N ATOM 1136 CA GLN B 75 3.625 10.481 -7.662 1.00 10.00 C ATOM 1137 C GLN B 75 3.649 9.095 -7.027 1.00 10.00 C ATOM 1138 O GLN B 75 4.450 8.274 -7.471 1.00 10.00 O ATOM 1139 CB GLN B 75 4.603 11.451 -6.964 1.00 10.00 C ATOM 1140 CG GLN B 75 4.233 11.830 -5.517 1.00 10.00 C ATOM 1141 CD GLN B 75 5.115 11.237 -4.420 1.00 10.00 C ATOM 1142 OE1 GLN B 75 6.330 11.101 -4.538 1.00 10.00 O ATOM 1143 NE2 GLN B 75 4.511 10.872 -3.310 1.00 10.00 N ATOM 0 H GLN B 75 2.119 11.832 -7.100 1.00 10.00 H new ATOM 0 HA GLN B 75 3.963 10.330 -8.687 1.00 10.00 H new ATOM 0 HB2 GLN B 75 5.596 11.001 -6.962 1.00 10.00 H new ATOM 0 HB3 GLN B 75 4.668 12.364 -7.556 1.00 10.00 H new ATOM 0 HG2 GLN B 75 4.260 12.916 -5.429 1.00 10.00 H new ATOM 0 HG3 GLN B 75 3.204 11.521 -5.334 1.00 10.00 H new ATOM 0 HE21 GLN B 75 3.502 10.987 -3.217 1.00 10.00 H new ATOM 0 HE22 GLN B 75 5.052 10.474 -2.542 1.00 10.00 H new ATOM 1152 N VAL B 76 2.767 8.787 -6.060 1.00 10.00 N ATOM 1153 CA VAL B 76 2.744 7.436 -5.497 1.00 10.00 C ATOM 1154 C VAL B 76 2.201 6.499 -6.554 1.00 10.00 C ATOM 1155 O VAL B 76 2.856 5.521 -6.903 1.00 10.00 O ATOM 1156 CB VAL B 76 1.923 7.242 -4.212 1.00 10.00 C ATOM 1157 CG1 VAL B 76 2.396 5.974 -3.501 1.00 10.00 C ATOM 1158 CG2 VAL B 76 2.027 8.361 -3.191 1.00 10.00 C ATOM 0 H VAL B 76 2.084 9.434 -5.666 1.00 10.00 H new ATOM 0 HA VAL B 76 3.774 7.228 -5.207 1.00 10.00 H new ATOM 0 HB VAL B 76 0.889 7.204 -4.554 1.00 10.00 H new ATOM 0 HG11 VAL B 76 1.817 5.831 -2.589 1.00 10.00 H new ATOM 0 HG12 VAL B 76 2.256 5.115 -4.158 1.00 10.00 H new ATOM 0 HG13 VAL B 76 3.452 6.070 -3.249 1.00 10.00 H new ATOM 0 HG21 VAL B 76 1.409 8.122 -2.325 1.00 10.00 H new ATOM 0 HG22 VAL B 76 3.065 8.472 -2.877 1.00 10.00 H new ATOM 0 HG23 VAL B 76 1.681 9.294 -3.637 1.00 10.00 H new ATOM 1168 N LEU B 77 1.017 6.823 -7.076 1.00 10.00 N ATOM 1169 CA LEU B 77 0.264 6.001 -8.001 1.00 10.00 C ATOM 1170 C LEU B 77 1.087 5.755 -9.278 1.00 10.00 C ATOM 1171 O LEU B 77 1.122 4.636 -9.803 1.00 10.00 O ATOM 1172 CB LEU B 77 -1.122 6.640 -8.228 1.00 10.00 C ATOM 1173 CG LEU B 77 -2.252 5.607 -8.356 1.00 10.00 C ATOM 1174 CD1 LEU B 77 -3.604 6.332 -8.338 1.00 10.00 C ATOM 1175 CD2 LEU B 77 -2.134 4.776 -9.626 1.00 10.00 C ATOM 0 H LEU B 77 0.546 7.700 -6.852 1.00 10.00 H new ATOM 0 HA LEU B 77 0.075 5.008 -7.592 1.00 10.00 H new ATOM 0 HB2 LEU B 77 -1.345 7.312 -7.399 1.00 10.00 H new ATOM 0 HB3 LEU B 77 -1.091 7.248 -9.132 1.00 10.00 H new ATOM 0 HG LEU B 77 -2.174 4.923 -7.511 1.00 10.00 H new ATOM 0 HD11 LEU B 77 -4.409 5.603 -8.429 1.00 10.00 H new ATOM 0 HD12 LEU B 77 -3.712 6.877 -7.400 1.00 10.00 H new ATOM 0 HD13 LEU B 77 -3.653 7.032 -9.172 1.00 10.00 H new ATOM 0 HD21 LEU B 77 -2.955 4.061 -9.670 1.00 10.00 H new ATOM 0 HD22 LEU B 77 -2.177 5.432 -10.495 1.00 10.00 H new ATOM 0 HD23 LEU B 77 -1.185 4.239 -9.623 1.00 10.00 H new ATOM 1187 N ASN B 78 1.863 6.765 -9.718 1.00 10.00 N ATOM 1188 CA ASN B 78 2.790 6.646 -10.832 1.00 10.00 C ATOM 1189 C ASN B 78 3.900 5.614 -10.624 1.00 10.00 C ATOM 1190 O ASN B 78 4.303 4.988 -11.607 1.00 10.00 O ATOM 1191 CB ASN B 78 3.369 8.030 -11.160 1.00 10.00 C ATOM 1192 CG ASN B 78 4.322 7.972 -12.346 1.00 10.00 C ATOM 1193 OD1 ASN B 78 3.930 7.651 -13.462 1.00 10.00 O ATOM 1194 ND2 ASN B 78 5.587 8.222 -12.117 1.00 10.00 N ATOM 0 H ASN B 78 1.854 7.694 -9.296 1.00 10.00 H new ATOM 0 HA ASN B 78 2.218 6.267 -11.679 1.00 10.00 H new ATOM 0 HB2 ASN B 78 2.556 8.722 -11.379 1.00 10.00 H new ATOM 0 HB3 ASN B 78 3.895 8.421 -10.289 1.00 10.00 H new ATOM 0 HD21 ASN B 78 6.266 8.151 -12.875 1.00 10.00 H new ATOM 0 HD22 ASN B 78 5.893 8.488 -11.181 1.00 10.00 H new ATOM 1201 N ILE B 79 4.412 5.433 -9.403 1.00 10.00 N ATOM 1202 CA ILE B 79 5.463 4.434 -9.119 1.00 10.00 C ATOM 1203 C ILE B 79 4.837 3.088 -8.730 1.00 10.00 C ATOM 1204 O ILE B 79 5.295 2.042 -9.191 1.00 10.00 O ATOM 1205 CB ILE B 79 6.472 4.961 -8.083 1.00 10.00 C ATOM 1206 CG1 ILE B 79 7.105 6.313 -8.507 1.00 10.00 C ATOM 1207 CG2 ILE B 79 7.616 3.951 -7.897 1.00 10.00 C ATOM 1208 CD1 ILE B 79 7.550 7.160 -7.314 1.00 10.00 C ATOM 0 H ILE B 79 4.117 5.967 -8.585 1.00 10.00 H new ATOM 0 HA ILE B 79 6.037 4.259 -10.029 1.00 10.00 H new ATOM 0 HB ILE B 79 5.915 5.105 -7.157 1.00 10.00 H new ATOM 0 HG12 ILE B 79 7.964 6.121 -9.151 1.00 10.00 H new ATOM 0 HG13 ILE B 79 6.384 6.877 -9.098 1.00 10.00 H new ATOM 0 HG21 ILE B 79 8.324 4.334 -7.162 1.00 10.00 H new ATOM 0 HG22 ILE B 79 7.210 3.001 -7.549 1.00 10.00 H new ATOM 0 HG23 ILE B 79 8.127 3.800 -8.848 1.00 10.00 H new ATOM 0 HD11 ILE B 79 7.985 8.093 -7.672 1.00 10.00 H new ATOM 0 HD12 ILE B 79 6.689 7.380 -6.682 1.00 10.00 H new ATOM 0 HD13 ILE B 79 8.294 6.612 -6.736 1.00 10.00 H new ATOM 1220 N LEU B 80 3.742 3.120 -7.952 1.00 10.00 N ATOM 1221 CA LEU B 80 2.862 2.007 -7.571 1.00 10.00 C ATOM 1222 C LEU B 80 2.606 1.058 -8.736 1.00 10.00 C ATOM 1223 O LEU B 80 2.809 -0.144 -8.587 1.00 10.00 O ATOM 1224 CB LEU B 80 1.518 2.576 -7.068 1.00 10.00 C ATOM 1225 CG LEU B 80 1.378 2.719 -5.546 1.00 10.00 C ATOM 1226 CD1 LEU B 80 0.233 3.651 -5.134 1.00 10.00 C ATOM 1227 CD2 LEU B 80 0.997 1.367 -4.971 1.00 10.00 C ATOM 0 H LEU B 80 3.425 3.998 -7.541 1.00 10.00 H new ATOM 0 HA LEU B 80 3.358 1.439 -6.784 1.00 10.00 H new ATOM 0 HB2 LEU B 80 1.368 3.556 -7.521 1.00 10.00 H new ATOM 0 HB3 LEU B 80 0.715 1.932 -7.428 1.00 10.00 H new ATOM 0 HG LEU B 80 2.328 3.113 -5.186 1.00 10.00 H new ATOM 0 HD11 LEU B 80 0.186 3.711 -4.047 1.00 10.00 H new ATOM 0 HD12 LEU B 80 0.408 4.645 -5.545 1.00 10.00 H new ATOM 0 HD13 LEU B 80 -0.710 3.261 -5.517 1.00 10.00 H new ATOM 0 HD21 LEU B 80 0.893 1.448 -3.889 1.00 10.00 H new ATOM 0 HD22 LEU B 80 0.051 1.041 -5.403 1.00 10.00 H new ATOM 0 HD23 LEU B 80 1.773 0.639 -5.207 1.00 10.00 H new ATOM 1239 N LYS B 81 2.201 1.597 -9.895 1.00 10.00 N ATOM 1240 CA LYS B 81 1.862 0.791 -11.076 1.00 10.00 C ATOM 1241 C LYS B 81 3.022 -0.097 -11.579 1.00 10.00 C ATOM 1242 O LYS B 81 2.779 -1.090 -12.251 1.00 10.00 O ATOM 1243 CB LYS B 81 1.372 1.728 -12.192 1.00 10.00 C ATOM 1244 CG LYS B 81 2.522 2.475 -12.884 1.00 10.00 C ATOM 1245 CD LYS B 81 2.039 3.717 -13.633 1.00 10.00 C ATOM 1246 CE LYS B 81 3.201 4.253 -14.475 1.00 10.00 C ATOM 1247 NZ LYS B 81 2.956 5.621 -14.984 1.00 10.00 N ATOM 0 H LYS B 81 2.099 2.602 -10.040 1.00 10.00 H new ATOM 0 HA LYS B 81 1.074 0.098 -10.781 1.00 10.00 H new ATOM 0 HB2 LYS B 81 0.823 1.148 -12.933 1.00 10.00 H new ATOM 0 HB3 LYS B 81 0.674 2.452 -11.773 1.00 10.00 H new ATOM 0 HG2 LYS B 81 3.262 2.767 -12.139 1.00 10.00 H new ATOM 0 HG3 LYS B 81 3.021 1.803 -13.583 1.00 10.00 H new ATOM 0 HD2 LYS B 81 1.190 3.470 -14.271 1.00 10.00 H new ATOM 0 HD3 LYS B 81 1.698 4.476 -12.929 1.00 10.00 H new ATOM 0 HE2 LYS B 81 4.110 4.251 -13.874 1.00 10.00 H new ATOM 0 HE3 LYS B 81 3.374 3.582 -15.317 1.00 10.00 H new ATOM 0 HZ1 LYS B 81 3.491 5.765 -15.864 1.00 10.00 H new ATOM 0 HZ2 LYS B 81 1.941 5.745 -15.171 1.00 10.00 H new ATOM 0 HZ3 LYS B 81 3.265 6.316 -14.274 1.00 10.00 H new ATOM 1261 N SER B 82 4.271 0.272 -11.268 1.00 10.00 N ATOM 1262 CA SER B 82 5.481 -0.382 -11.780 1.00 10.00 C ATOM 1263 C SER B 82 5.900 -1.632 -11.011 1.00 10.00 C ATOM 1264 O SER B 82 6.728 -2.400 -11.503 1.00 10.00 O ATOM 1265 CB SER B 82 6.648 0.615 -11.824 1.00 10.00 C ATOM 1266 OG SER B 82 7.142 0.911 -10.530 1.00 10.00 O ATOM 0 H SER B 82 4.472 1.050 -10.640 1.00 10.00 H new ATOM 0 HA SER B 82 5.225 -0.718 -12.785 1.00 10.00 H new ATOM 0 HB2 SER B 82 7.453 0.205 -12.434 1.00 10.00 H new ATOM 0 HB3 SER B 82 6.320 1.536 -12.306 1.00 10.00 H new ATOM 0 HG SER B 82 6.629 1.652 -10.145 1.00 10.00 H new ATOM 1272 N ASN B 83 5.305 -1.872 -9.841 1.00 10.00 N ATOM 1273 CA ASN B 83 5.423 -3.120 -9.106 1.00 10.00 C ATOM 1274 C ASN B 83 3.985 -3.628 -8.903 1.00 10.00 C ATOM 1275 O ASN B 83 3.286 -3.163 -8.004 1.00 10.00 O ATOM 1276 CB ASN B 83 6.185 -2.935 -7.799 1.00 10.00 C ATOM 1277 CG ASN B 83 6.301 -4.244 -7.035 1.00 10.00 C ATOM 1278 OD1 ASN B 83 5.438 -5.106 -7.028 1.00 10.00 O ATOM 1279 ND2 ASN B 83 7.416 -4.455 -6.392 1.00 10.00 N ATOM 0 H ASN B 83 4.715 -1.184 -9.372 1.00 10.00 H new ATOM 0 HA ASN B 83 6.008 -3.858 -9.655 1.00 10.00 H new ATOM 0 HB2 ASN B 83 7.181 -2.545 -8.009 1.00 10.00 H new ATOM 0 HB3 ASN B 83 5.676 -2.195 -7.181 1.00 10.00 H new ATOM 0 HD21 ASN B 83 7.558 -5.332 -5.892 1.00 10.00 H new ATOM 0 HD22 ASN B 83 8.146 -3.743 -6.390 1.00 10.00 H new ATOM 1286 N PRO B 84 3.526 -4.580 -9.730 1.00 10.00 N ATOM 1287 CA PRO B 84 2.128 -4.983 -9.788 1.00 10.00 C ATOM 1288 C PRO B 84 1.702 -5.762 -8.535 1.00 10.00 C ATOM 1289 O PRO B 84 0.570 -5.627 -8.058 1.00 10.00 O ATOM 1290 CB PRO B 84 2.050 -5.800 -11.075 1.00 10.00 C ATOM 1291 CG PRO B 84 3.443 -6.388 -11.277 1.00 10.00 C ATOM 1292 CD PRO B 84 4.371 -5.448 -10.527 1.00 10.00 C ATOM 0 HA PRO B 84 1.434 -4.142 -9.802 1.00 10.00 H new ATOM 0 HB2 PRO B 84 1.301 -6.588 -10.994 1.00 10.00 H new ATOM 0 HB3 PRO B 84 1.763 -5.173 -11.920 1.00 10.00 H new ATOM 0 HG2 PRO B 84 3.505 -7.403 -10.884 1.00 10.00 H new ATOM 0 HG3 PRO B 84 3.702 -6.439 -12.335 1.00 10.00 H new ATOM 0 HD2 PRO B 84 5.059 -6.007 -9.893 1.00 10.00 H new ATOM 0 HD3 PRO B 84 4.978 -4.867 -11.221 1.00 10.00 H new ATOM 1300 N GLN B 85 2.652 -6.485 -7.927 1.00 10.00 N ATOM 1301 CA GLN B 85 2.473 -7.165 -6.647 1.00 10.00 C ATOM 1302 C GLN B 85 2.297 -6.147 -5.512 1.00 10.00 C ATOM 1303 O GLN B 85 1.379 -6.284 -4.717 1.00 10.00 O ATOM 1304 CB GLN B 85 3.667 -8.096 -6.351 1.00 10.00 C ATOM 1305 CG GLN B 85 4.071 -9.021 -7.506 1.00 10.00 C ATOM 1306 CD GLN B 85 2.889 -9.799 -8.075 1.00 10.00 C ATOM 1307 OE1 GLN B 85 2.428 -9.538 -9.176 1.00 10.00 O ATOM 1308 NE2 GLN B 85 2.347 -10.756 -7.355 1.00 10.00 N ATOM 0 H GLN B 85 3.583 -6.613 -8.323 1.00 10.00 H new ATOM 0 HA GLN B 85 1.570 -7.772 -6.710 1.00 10.00 H new ATOM 0 HB2 GLN B 85 4.527 -7.484 -6.078 1.00 10.00 H new ATOM 0 HB3 GLN B 85 3.424 -8.709 -5.483 1.00 10.00 H new ATOM 0 HG2 GLN B 85 4.527 -8.428 -8.299 1.00 10.00 H new ATOM 0 HG3 GLN B 85 4.829 -9.722 -7.157 1.00 10.00 H new ATOM 0 HE21 GLN B 85 2.727 -10.979 -6.435 1.00 10.00 H new ATOM 0 HE22 GLN B 85 1.547 -11.275 -7.716 1.00 10.00 H new ATOM 1317 N LEU B 86 3.146 -5.115 -5.465 1.00 10.00 N ATOM 1318 CA LEU B 86 3.047 -4.004 -4.514 1.00 10.00 C ATOM 1319 C LEU B 86 1.758 -3.223 -4.753 1.00 10.00 C ATOM 1320 O LEU B 86 1.140 -2.814 -3.787 1.00 10.00 O ATOM 1321 CB LEU B 86 4.282 -3.098 -4.615 1.00 10.00 C ATOM 1322 CG LEU B 86 4.484 -2.002 -3.548 1.00 10.00 C ATOM 1323 CD1 LEU B 86 3.707 -0.723 -3.827 1.00 10.00 C ATOM 1324 CD2 LEU B 86 4.178 -2.435 -2.108 1.00 10.00 C ATOM 0 H LEU B 86 3.938 -5.027 -6.101 1.00 10.00 H new ATOM 0 HA LEU B 86 3.015 -4.404 -3.501 1.00 10.00 H new ATOM 0 HB2 LEU B 86 5.164 -3.738 -4.603 1.00 10.00 H new ATOM 0 HB3 LEU B 86 4.256 -2.610 -5.589 1.00 10.00 H new ATOM 0 HG LEU B 86 5.554 -1.808 -3.629 1.00 10.00 H new ATOM 0 HD11 LEU B 86 3.899 -0.000 -3.034 1.00 10.00 H new ATOM 0 HD12 LEU B 86 4.024 -0.306 -4.783 1.00 10.00 H new ATOM 0 HD13 LEU B 86 2.641 -0.946 -3.864 1.00 10.00 H new ATOM 0 HD21 LEU B 86 4.349 -1.597 -1.432 1.00 10.00 H new ATOM 0 HD22 LEU B 86 3.138 -2.752 -2.037 1.00 10.00 H new ATOM 0 HD23 LEU B 86 4.829 -3.264 -1.831 1.00 10.00 H new ATOM 1336 N MET B 87 1.328 -3.031 -6.001 1.00 10.00 N ATOM 1337 CA MET B 87 0.039 -2.397 -6.312 1.00 10.00 C ATOM 1338 C MET B 87 -1.133 -3.187 -5.708 1.00 10.00 C ATOM 1339 O MET B 87 -1.933 -2.631 -4.960 1.00 10.00 O ATOM 1340 CB MET B 87 -0.109 -2.207 -7.827 1.00 10.00 C ATOM 1341 CG MET B 87 -0.472 -0.758 -8.147 1.00 10.00 C ATOM 1342 SD MET B 87 -2.177 -0.329 -7.752 1.00 10.00 S ATOM 1343 CE MET B 87 -2.132 1.430 -8.167 1.00 10.00 C ATOM 0 H MET B 87 1.860 -3.309 -6.826 1.00 10.00 H new ATOM 0 HA MET B 87 0.017 -1.409 -5.851 1.00 10.00 H new ATOM 0 HB2 MET B 87 0.822 -2.475 -8.327 1.00 10.00 H new ATOM 0 HB3 MET B 87 -0.880 -2.875 -8.211 1.00 10.00 H new ATOM 0 HG2 MET B 87 0.196 -0.096 -7.596 1.00 10.00 H new ATOM 0 HG3 MET B 87 -0.298 -0.576 -9.207 1.00 10.00 H new ATOM 0 HE1 MET B 87 -3.144 1.783 -8.365 1.00 10.00 H new ATOM 0 HE2 MET B 87 -1.709 1.990 -7.333 1.00 10.00 H new ATOM 0 HE3 MET B 87 -1.516 1.579 -9.054 1.00 10.00 H new ATOM 1353 N ALA B 88 -1.200 -4.499 -5.972 1.00 10.00 N ATOM 1354 CA ALA B 88 -2.201 -5.368 -5.368 1.00 10.00 C ATOM 1355 C ALA B 88 -2.086 -5.405 -3.834 1.00 10.00 C ATOM 1356 O ALA B 88 -3.091 -5.304 -3.136 1.00 10.00 O ATOM 1357 CB ALA B 88 -2.071 -6.758 -6.003 1.00 10.00 C ATOM 0 H ALA B 88 -0.563 -4.979 -6.607 1.00 10.00 H new ATOM 0 HA ALA B 88 -3.198 -4.975 -5.566 1.00 10.00 H new ATOM 0 HB1 ALA B 88 -2.811 -7.428 -5.566 1.00 10.00 H new ATOM 0 HB2 ALA B 88 -2.237 -6.684 -7.078 1.00 10.00 H new ATOM 0 HB3 ALA B 88 -1.071 -7.151 -5.817 1.00 10.00 H new ATOM 1363 N ALA B 89 -0.867 -5.508 -3.284 1.00 10.00 N ATOM 1364 CA ALA B 89 -0.611 -5.465 -1.839 1.00 10.00 C ATOM 1365 C ALA B 89 -0.984 -4.111 -1.217 1.00 10.00 C ATOM 1366 O ALA B 89 -1.558 -4.094 -0.135 1.00 10.00 O ATOM 1367 CB ALA B 89 0.852 -5.821 -1.562 1.00 10.00 C ATOM 0 H ALA B 89 -0.020 -5.625 -3.840 1.00 10.00 H new ATOM 0 HA ALA B 89 -1.254 -6.205 -1.363 1.00 10.00 H new ATOM 0 HB1 ALA B 89 1.038 -5.788 -0.488 1.00 10.00 H new ATOM 0 HB2 ALA B 89 1.059 -6.824 -1.935 1.00 10.00 H new ATOM 0 HB3 ALA B 89 1.502 -5.105 -2.065 1.00 10.00 H new ATOM 1373 N PHE B 90 -0.739 -2.982 -1.894 1.00 10.00 N ATOM 1374 CA PHE B 90 -1.218 -1.654 -1.505 1.00 10.00 C ATOM 1375 C PHE B 90 -2.732 -1.702 -1.414 1.00 10.00 C ATOM 1376 O PHE B 90 -3.260 -1.455 -0.334 1.00 10.00 O ATOM 1377 CB PHE B 90 -0.743 -0.566 -2.491 1.00 10.00 C ATOM 1378 CG PHE B 90 -1.293 0.827 -2.231 1.00 10.00 C ATOM 1379 CD1 PHE B 90 -0.924 1.497 -1.053 1.00 10.00 C ATOM 1380 CD2 PHE B 90 -2.134 1.489 -3.154 1.00 10.00 C ATOM 1381 CE1 PHE B 90 -1.359 2.802 -0.785 1.00 10.00 C ATOM 1382 CE2 PHE B 90 -2.624 2.776 -2.862 1.00 10.00 C ATOM 1383 CZ PHE B 90 -2.231 3.436 -1.681 1.00 10.00 C ATOM 0 H PHE B 90 -0.186 -2.969 -2.751 1.00 10.00 H new ATOM 0 HA PHE B 90 -0.801 -1.386 -0.534 1.00 10.00 H new ATOM 0 HB2 PHE B 90 0.346 -0.521 -2.461 1.00 10.00 H new ATOM 0 HB3 PHE B 90 -1.022 -0.867 -3.501 1.00 10.00 H new ATOM 0 HD1 PHE B 90 -0.290 0.995 -0.337 1.00 10.00 H new ATOM 0 HD2 PHE B 90 -2.401 1.008 -4.083 1.00 10.00 H new ATOM 0 HE1 PHE B 90 -1.025 3.315 0.105 1.00 10.00 H new ATOM 0 HE2 PHE B 90 -3.305 3.260 -3.547 1.00 10.00 H new ATOM 0 HZ PHE B 90 -2.601 4.428 -1.466 1.00 10.00 H new ATOM 1393 N ILE B 91 -3.416 -2.075 -2.498 1.00 10.00 N ATOM 1394 CA ILE B 91 -4.876 -2.171 -2.507 1.00 10.00 C ATOM 1395 C ILE B 91 -5.374 -3.053 -1.341 1.00 10.00 C ATOM 1396 O ILE B 91 -6.109 -2.582 -0.463 1.00 10.00 O ATOM 1397 CB ILE B 91 -5.394 -2.613 -3.898 1.00 10.00 C ATOM 1398 CG1 ILE B 91 -5.111 -1.505 -4.942 1.00 10.00 C ATOM 1399 CG2 ILE B 91 -6.903 -2.929 -3.852 1.00 10.00 C ATOM 1400 CD1 ILE B 91 -5.415 -1.905 -6.393 1.00 10.00 C ATOM 0 H ILE B 91 -2.977 -2.317 -3.387 1.00 10.00 H new ATOM 0 HA ILE B 91 -5.302 -1.182 -2.336 1.00 10.00 H new ATOM 0 HB ILE B 91 -4.867 -3.522 -4.188 1.00 10.00 H new ATOM 0 HG12 ILE B 91 -5.703 -0.625 -4.689 1.00 10.00 H new ATOM 0 HG13 ILE B 91 -4.063 -1.215 -4.870 1.00 10.00 H new ATOM 0 HG21 ILE B 91 -7.241 -3.237 -4.842 1.00 10.00 H new ATOM 0 HG22 ILE B 91 -7.085 -3.734 -3.140 1.00 10.00 H new ATOM 0 HG23 ILE B 91 -7.452 -2.040 -3.542 1.00 10.00 H new ATOM 0 HD11 ILE B 91 -5.188 -1.070 -7.056 1.00 10.00 H new ATOM 0 HD12 ILE B 91 -4.804 -2.764 -6.669 1.00 10.00 H new ATOM 0 HD13 ILE B 91 -6.469 -2.165 -6.485 1.00 10.00 H new ATOM 1412 N LYS B 92 -4.939 -4.317 -1.284 1.00 10.00 N ATOM 1413 CA LYS B 92 -5.389 -5.279 -0.278 1.00 10.00 C ATOM 1414 C LYS B 92 -5.062 -4.841 1.145 1.00 10.00 C ATOM 1415 O LYS B 92 -5.962 -4.792 1.982 1.00 10.00 O ATOM 1416 CB LYS B 92 -4.805 -6.667 -0.602 1.00 10.00 C ATOM 1417 CG LYS B 92 -5.201 -7.800 0.373 1.00 10.00 C ATOM 1418 CD LYS B 92 -6.600 -8.396 0.137 1.00 10.00 C ATOM 1419 CE LYS B 92 -7.769 -7.508 0.578 1.00 10.00 C ATOM 1420 NZ LYS B 92 -9.046 -8.189 0.289 1.00 10.00 N ATOM 0 H LYS B 92 -4.260 -4.701 -1.941 1.00 10.00 H new ATOM 0 HA LYS B 92 -6.477 -5.332 -0.321 1.00 10.00 H new ATOM 0 HB2 LYS B 92 -5.120 -6.949 -1.607 1.00 10.00 H new ATOM 0 HB3 LYS B 92 -3.718 -6.590 -0.619 1.00 10.00 H new ATOM 0 HG2 LYS B 92 -4.464 -8.599 0.297 1.00 10.00 H new ATOM 0 HG3 LYS B 92 -5.152 -7.417 1.392 1.00 10.00 H new ATOM 0 HD2 LYS B 92 -6.710 -8.614 -0.925 1.00 10.00 H new ATOM 0 HD3 LYS B 92 -6.667 -9.347 0.666 1.00 10.00 H new ATOM 0 HE2 LYS B 92 -7.693 -7.293 1.644 1.00 10.00 H new ATOM 0 HE3 LYS B 92 -7.729 -6.552 0.056 1.00 10.00 H new ATOM 0 HZ1 LYS B 92 -9.837 -7.585 0.589 1.00 10.00 H new ATOM 0 HZ2 LYS B 92 -9.118 -8.372 -0.732 1.00 10.00 H new ATOM 0 HZ3 LYS B 92 -9.083 -9.091 0.806 1.00 10.00 H new ATOM 1434 N GLN B 93 -3.790 -4.527 1.428 1.00 10.00 N ATOM 1435 CA GLN B 93 -3.362 -4.184 2.780 1.00 10.00 C ATOM 1436 C GLN B 93 -3.913 -2.814 3.193 1.00 10.00 C ATOM 1437 O GLN B 93 -4.363 -2.737 4.325 1.00 10.00 O ATOM 1438 CB GLN B 93 -1.835 -4.267 2.951 1.00 10.00 C ATOM 1439 CG GLN B 93 -1.392 -4.867 4.299 1.00 10.00 C ATOM 1440 CD GLN B 93 -2.074 -4.303 5.543 1.00 10.00 C ATOM 1441 OE1 GLN B 93 -2.780 -4.997 6.255 1.00 10.00 O ATOM 1442 NE2 GLN B 93 -1.883 -3.040 5.862 1.00 10.00 N ATOM 0 H GLN B 93 -3.043 -4.505 0.734 1.00 10.00 H new ATOM 0 HA GLN B 93 -3.781 -4.930 3.454 1.00 10.00 H new ATOM 0 HB2 GLN B 93 -1.420 -4.869 2.142 1.00 10.00 H new ATOM 0 HB3 GLN B 93 -1.413 -3.267 2.853 1.00 10.00 H new ATOM 0 HG2 GLN B 93 -1.567 -5.942 4.270 1.00 10.00 H new ATOM 0 HG3 GLN B 93 -0.317 -4.722 4.402 1.00 10.00 H new ATOM 0 HE21 GLN B 93 -1.295 -2.449 5.275 1.00 10.00 H new ATOM 0 HE22 GLN B 93 -2.323 -2.653 6.696 1.00 10.00 H new ATOM 1451 N ARG B 94 -3.998 -1.773 2.333 1.00 10.00 N ATOM 1452 CA ARG B 94 -4.726 -0.555 2.719 1.00 10.00 C ATOM 1453 C ARG B 94 -6.176 -0.875 3.107 1.00 10.00 C ATOM 1454 O ARG B 94 -6.654 -0.370 4.123 1.00 10.00 O ATOM 1455 CB ARG B 94 -4.712 0.494 1.609 1.00 10.00 C ATOM 1456 CG ARG B 94 -3.345 1.132 1.311 1.00 10.00 C ATOM 1457 CD ARG B 94 -2.742 1.978 2.433 1.00 10.00 C ATOM 1458 NE ARG B 94 -3.574 3.128 2.798 1.00 10.00 N ATOM 1459 CZ ARG B 94 -3.344 3.947 3.820 1.00 10.00 C ATOM 1460 NH1 ARG B 94 -2.240 3.912 4.533 1.00 10.00 N ATOM 1461 NH2 ARG B 94 -4.200 4.867 4.156 1.00 10.00 N ATOM 0 H ARG B 94 -3.585 -1.754 1.400 1.00 10.00 H new ATOM 0 HA ARG B 94 -4.208 -0.143 3.585 1.00 10.00 H new ATOM 0 HB2 ARG B 94 -5.084 0.033 0.694 1.00 10.00 H new ATOM 0 HB3 ARG B 94 -5.412 1.286 1.874 1.00 10.00 H new ATOM 0 HG2 ARG B 94 -2.641 0.337 1.064 1.00 10.00 H new ATOM 0 HG3 ARG B 94 -3.444 1.758 0.424 1.00 10.00 H new ATOM 0 HD2 ARG B 94 -2.593 1.351 3.312 1.00 10.00 H new ATOM 0 HD3 ARG B 94 -1.759 2.332 2.124 1.00 10.00 H new ATOM 0 HE ARG B 94 -4.395 3.315 2.222 1.00 10.00 H new ATOM 0 HH11 ARG B 94 -1.511 3.234 4.311 1.00 10.00 H new ATOM 0 HH12 ARG B 94 -2.112 4.563 5.308 1.00 10.00 H new ATOM 0 HH21 ARG B 94 -5.069 4.971 3.632 1.00 10.00 H new ATOM 0 HH22 ARG B 94 -4.003 5.484 4.944 1.00 10.00 H new ATOM 1475 N THR B 95 -6.852 -1.747 2.347 1.00 10.00 N ATOM 1476 CA THR B 95 -8.213 -2.214 2.676 1.00 10.00 C ATOM 1477 C THR B 95 -8.276 -2.858 4.073 1.00 10.00 C ATOM 1478 O THR B 95 -9.159 -2.541 4.870 1.00 10.00 O ATOM 1479 CB THR B 95 -8.811 -3.190 1.641 1.00 10.00 C ATOM 1480 OG1 THR B 95 -8.503 -2.935 0.292 1.00 10.00 O ATOM 1481 CG2 THR B 95 -10.332 -3.041 1.672 1.00 10.00 C ATOM 0 H THR B 95 -6.476 -2.150 1.489 1.00 10.00 H new ATOM 0 HA THR B 95 -8.821 -1.309 2.659 1.00 10.00 H new ATOM 0 HB THR B 95 -8.398 -4.158 1.925 1.00 10.00 H new ATOM 0 HG1 THR B 95 -7.562 -3.153 0.124 1.00 10.00 H new ATOM 0 HG21 THR B 95 -10.779 -3.722 0.948 1.00 10.00 H new ATOM 0 HG22 THR B 95 -10.701 -3.279 2.670 1.00 10.00 H new ATOM 0 HG23 THR B 95 -10.602 -2.015 1.421 1.00 10.00 H new ATOM 1489 N ALA B 96 -7.308 -3.719 4.404 1.00 10.00 N ATOM 1490 CA ALA B 96 -7.142 -4.285 5.741 1.00 10.00 C ATOM 1491 C ALA B 96 -6.797 -3.226 6.815 1.00 10.00 C ATOM 1492 O ALA B 96 -7.422 -3.209 7.879 1.00 10.00 O ATOM 1493 CB ALA B 96 -6.097 -5.398 5.684 1.00 10.00 C ATOM 0 H ALA B 96 -6.608 -4.046 3.738 1.00 10.00 H new ATOM 0 HA ALA B 96 -8.101 -4.700 6.053 1.00 10.00 H new ATOM 0 HB1 ALA B 96 -5.967 -5.826 6.678 1.00 10.00 H new ATOM 0 HB2 ALA B 96 -6.430 -6.175 4.995 1.00 10.00 H new ATOM 0 HB3 ALA B 96 -5.148 -4.989 5.338 1.00 10.00 H new ATOM 1499 N LYS B 97 -5.866 -2.299 6.519 1.00 10.00 N ATOM 1500 CA LYS B 97 -5.499 -1.137 7.353 1.00 10.00 C ATOM 1501 C LYS B 97 -6.740 -0.345 7.761 1.00 10.00 C ATOM 1502 O LYS B 97 -6.878 -0.015 8.940 1.00 10.00 O ATOM 1503 CB LYS B 97 -4.382 -0.279 6.693 1.00 10.00 C ATOM 1504 CG LYS B 97 -4.698 1.180 6.274 1.00 10.00 C ATOM 1505 CD LYS B 97 -4.599 2.136 7.463 1.00 10.00 C ATOM 1506 CE LYS B 97 -5.317 3.468 7.184 1.00 10.00 C ATOM 1507 NZ LYS B 97 -5.201 4.393 8.328 1.00 10.00 N ATOM 0 H LYS B 97 -5.325 -2.341 5.655 1.00 10.00 H new ATOM 0 HA LYS B 97 -5.058 -1.501 8.281 1.00 10.00 H new ATOM 0 HB2 LYS B 97 -3.541 -0.247 7.385 1.00 10.00 H new ATOM 0 HB3 LYS B 97 -4.043 -0.810 5.803 1.00 10.00 H new ATOM 0 HG2 LYS B 97 -4.005 1.494 5.494 1.00 10.00 H new ATOM 0 HG3 LYS B 97 -5.700 1.229 5.848 1.00 10.00 H new ATOM 0 HD2 LYS B 97 -5.034 1.666 8.345 1.00 10.00 H new ATOM 0 HD3 LYS B 97 -3.550 2.328 7.689 1.00 10.00 H new ATOM 0 HE2 LYS B 97 -4.892 3.933 6.294 1.00 10.00 H new ATOM 0 HE3 LYS B 97 -6.369 3.278 6.973 1.00 10.00 H new ATOM 0 HZ1 LYS B 97 -5.805 5.224 8.166 1.00 10.00 H new ATOM 0 HZ2 LYS B 97 -5.504 3.909 9.198 1.00 10.00 H new ATOM 0 HZ3 LYS B 97 -4.212 4.699 8.428 1.00 10.00 H new ATOM 1521 N TYR B 98 -7.674 -0.122 6.844 1.00 10.00 N ATOM 1522 CA TYR B 98 -8.950 0.498 7.184 1.00 10.00 C ATOM 1523 C TYR B 98 -9.734 -0.325 8.198 1.00 10.00 C ATOM 1524 O TYR B 98 -9.970 0.166 9.297 1.00 10.00 O ATOM 1525 CB TYR B 98 -9.792 0.733 5.938 1.00 10.00 C ATOM 1526 CG TYR B 98 -9.381 1.968 5.186 1.00 10.00 C ATOM 1527 CD1 TYR B 98 -9.540 3.222 5.800 1.00 10.00 C ATOM 1528 CD2 TYR B 98 -8.866 1.867 3.887 1.00 10.00 C ATOM 1529 CE1 TYR B 98 -9.107 4.377 5.130 1.00 10.00 C ATOM 1530 CE2 TYR B 98 -8.525 3.021 3.173 1.00 10.00 C ATOM 1531 CZ TYR B 98 -8.623 4.284 3.812 1.00 10.00 C ATOM 1532 OH TYR B 98 -8.233 5.422 3.187 1.00 10.00 O ATOM 0 H TYR B 98 -7.572 -0.361 5.858 1.00 10.00 H new ATOM 0 HA TYR B 98 -8.721 1.460 7.642 1.00 10.00 H new ATOM 0 HB2 TYR B 98 -9.710 -0.132 5.280 1.00 10.00 H new ATOM 0 HB3 TYR B 98 -10.841 0.818 6.223 1.00 10.00 H new ATOM 0 HD1 TYR B 98 -9.991 3.296 6.778 1.00 10.00 H new ATOM 0 HD2 TYR B 98 -8.732 0.895 3.435 1.00 10.00 H new ATOM 0 HE1 TYR B 98 -9.145 5.336 5.625 1.00 10.00 H new ATOM 0 HE2 TYR B 98 -8.191 2.951 2.148 1.00 10.00 H new ATOM 0 HH TYR B 98 -7.255 5.482 3.197 1.00 10.00 H new ATOM 1542 N VAL B 99 -10.104 -1.572 7.894 1.00 10.00 N ATOM 1543 CA VAL B 99 -10.907 -2.360 8.847 1.00 10.00 C ATOM 1544 C VAL B 99 -10.181 -2.633 10.182 1.00 10.00 C ATOM 1545 O VAL B 99 -10.860 -2.897 11.173 1.00 10.00 O ATOM 1546 CB VAL B 99 -11.495 -3.635 8.219 1.00 10.00 C ATOM 1547 CG1 VAL B 99 -12.434 -3.275 7.056 1.00 10.00 C ATOM 1548 CG2 VAL B 99 -10.420 -4.605 7.718 1.00 10.00 C ATOM 0 H VAL B 99 -9.872 -2.051 7.024 1.00 10.00 H new ATOM 0 HA VAL B 99 -11.757 -1.727 9.102 1.00 10.00 H new ATOM 0 HB VAL B 99 -12.050 -4.139 9.010 1.00 10.00 H new ATOM 0 HG11 VAL B 99 -12.842 -4.188 6.622 1.00 10.00 H new ATOM 0 HG12 VAL B 99 -13.249 -2.653 7.426 1.00 10.00 H new ATOM 0 HG13 VAL B 99 -11.877 -2.729 6.295 1.00 10.00 H new ATOM 0 HG21 VAL B 99 -10.897 -5.485 7.286 1.00 10.00 H new ATOM 0 HG22 VAL B 99 -9.811 -4.113 6.960 1.00 10.00 H new ATOM 0 HG23 VAL B 99 -9.787 -4.908 8.552 1.00 10.00 H new