USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 776 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 67 TYR OH : rot -142:sc= 0.0927 USER MOD Set 1.2: A 78 THR OG1 : rot 172:sc= 0.354 USER MOD Set 2.1: A 63 ASN : amide:sc= -0.511 K(o=0.73,f=-1.1) USER MOD Set 2.2: A 74 TYR OH : rot 54:sc= 1.24 USER MOD Set 3.1: A 46 TYR OH : rot -152:sc= 0.924 USER MOD Set 3.2: A 79 LYS NZ :NH3+ 170:sc= 1.04 (180deg=0.976) USER MOD Set 4.1: A 40 SER OG : rot 111:sc= 1.28 USER MOD Set 4.2: A 52 ASN : amide:sc= 0.634 K(o=1.9,f=-4.8!) USER MOD Set 5.1: A 19 THR OG1 : rot 170:sc= 0.353 USER MOD Set 5.2: A 26 HIS : no HD1:sc= -0.869 K(o=-0.28,f=-2.5) USER MOD Set 5.3: A 31 ASN : amide:sc= 0.234 K(o=-0.28,f=-2) USER MOD Set 6.1: A 1 GLY N :NH3+ -176:sc= 0.473 (180deg=0) USER MOD Set 6.2: A 96 THR OG1 : rot 75:sc= 1.67 USER MOD Single : A 2 SER OG : rot 180:sc= 0.0655 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 173:sc= 1.08 (180deg=0.955) USER MOD Single : A 8 THR OG1 : rot 17:sc= 0.902 USER MOD Single : A 11 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00342) USER MOD Single : A 12 THR OG1 : rot -48:sc= 0.0531 USER MOD Single : A 14 CYS SG : rot 180:sc= -0.127 USER MOD Single : A 16 GLN : amide:sc= 0.324 K(o=0.32,f=-0.23) USER MOD Single : A 17 CYS SG : rot 180:sc= -0.188 USER MOD Single : A 18 HIS : no HE2:sc= 0.108 K(o=0.11,f=-1.7!) USER MOD Single : A 27 LYS NZ :NH3+ 169:sc= 1.25 (180deg=1.19) USER MOD Single : A 33 HIS : no HE2:sc= 0.616 K(o=0.62,f=-3!) USER MOD Single : A 39 HIS : no HD1:sc=-0.00737 X(o=-0.0074,f=-0.021) USER MOD Single : A 42 GLN : amide:sc= 0.963 K(o=0.96,f=-6.2!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 100:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -134:sc= 0.868 (180deg=-1.45!) USER MOD Single : A 55 LYS NZ :NH3+ 177:sc= 1.91 (180deg=1.86) USER MOD Single : A 56 ASN : amide:sc= -0.166 X(o=-0.17,f=-0.014) USER MOD Single : A 62 ASN : amide:sc= 0.312 K(o=0.31,f=-0.98) USER MOD Single : A 64 MET CE :methyl -174:sc= -0.491 (180deg=-0.68) USER MOD Single : A 65 SER OG : rot 90:sc= 1.2 USER MOD Single : A 69 THR OG1 : rot 65:sc= 1.15 USER MOD Single : A 70 ASN : amide:sc= 0.416 K(o=0.42,f=-5.1!) USER MOD Single : A 72 LYS NZ :NH3+ 158:sc= 1.82 (180deg=0.986) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 170:sc= -0.266 (180deg=-0.423) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -155:sc= 1.24 (180deg=1.18) USER MOD Single : A 89 LYS NZ :NH3+ -112:sc= 0.636 (180deg=-0.575!) USER MOD Single : A 92 ASN : amide:sc= 0.242 X(o=0.24,f=-0.2) USER MOD Single : A 97 TYR OH : rot 180:sc= -0.0801 USER MOD Single : A 99 LYS NZ :NH3+ -174:sc= 1.34 (180deg=1) USER MOD Single : A 100 LYS NZ :NH3+ -175:sc= 1.08 (180deg=0.822) USER MOD Single : A 102 THR OG1 : rot -160:sc= 0.269 USER MOD ----------------------------------------------------------------- ATOM 84 N GLY A 1 -13.612 -9.493 -0.733 1.00 0.00 N ATOM 85 CA GLY A 1 -14.786 -8.929 -1.414 1.00 0.00 C ATOM 86 C GLY A 1 -14.784 -9.223 -2.913 1.00 0.00 C ATOM 87 O GLY A 1 -15.173 -10.304 -3.348 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.691 -9.327 0.291 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.563 -10.516 -0.915 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.750 -9.036 -1.092 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.693 -9.337 -0.967 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.811 -7.851 -1.258 1.00 0.00 H new ATOM 91 N SER A 2 -14.303 -8.271 -3.712 1.00 0.00 N ATOM 92 CA SER A 2 -13.895 -8.536 -5.094 1.00 0.00 C ATOM 93 C SER A 2 -12.650 -7.747 -5.465 1.00 0.00 C ATOM 94 O SER A 2 -12.542 -6.553 -5.182 1.00 0.00 O ATOM 95 CB SER A 2 -15.021 -8.195 -6.070 1.00 0.00 C ATOM 96 OG SER A 2 -14.622 -8.490 -7.400 1.00 0.00 O ATOM 0 H SER A 2 -14.185 -7.300 -3.423 1.00 0.00 H new ATOM 0 HA SER A 2 -13.669 -9.600 -5.164 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.916 -8.763 -5.817 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.278 -7.139 -5.985 1.00 0.00 H new ATOM 0 HG SER A 2 -15.351 -8.270 -8.017 1.00 0.00 H new ATOM 102 N ALA A 3 -11.741 -8.385 -6.207 1.00 0.00 N ATOM 103 CA ALA A 3 -10.602 -7.701 -6.806 1.00 0.00 C ATOM 104 C ALA A 3 -11.034 -6.567 -7.758 1.00 0.00 C ATOM 105 O ALA A 3 -10.322 -5.579 -7.881 1.00 0.00 O ATOM 106 CB ALA A 3 -9.713 -8.735 -7.510 1.00 0.00 C ATOM 0 H ALA A 3 -11.777 -9.385 -6.406 1.00 0.00 H new ATOM 0 HA ALA A 3 -10.029 -7.216 -6.016 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -8.858 -8.232 -7.961 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -9.361 -9.467 -6.783 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -10.288 -9.241 -8.286 1.00 0.00 H new ATOM 112 N LYS A 4 -12.218 -6.637 -8.399 1.00 0.00 N ATOM 113 CA LYS A 4 -12.698 -5.546 -9.276 1.00 0.00 C ATOM 114 C LYS A 4 -13.332 -4.366 -8.534 1.00 0.00 C ATOM 115 O LYS A 4 -13.268 -3.240 -9.019 1.00 0.00 O ATOM 116 CB LYS A 4 -13.579 -6.098 -10.412 1.00 0.00 C ATOM 117 CG LYS A 4 -13.780 -5.042 -11.516 1.00 0.00 C ATOM 118 CD LYS A 4 -14.388 -5.621 -12.802 1.00 0.00 C ATOM 119 CE LYS A 4 -14.456 -4.566 -13.920 1.00 0.00 C ATOM 120 NZ LYS A 4 -15.432 -3.483 -13.627 1.00 0.00 N ATOM 0 H LYS A 4 -12.856 -7.430 -8.328 1.00 0.00 H new ATOM 0 HA LYS A 4 -11.809 -5.109 -9.732 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -13.116 -6.989 -10.836 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -14.547 -6.401 -10.012 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -14.428 -4.251 -11.139 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -12.820 -4.583 -11.750 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -13.792 -6.470 -13.137 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -15.390 -5.997 -12.594 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -13.467 -4.130 -14.063 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -14.729 -5.052 -14.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -15.438 -2.800 -14.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -16.382 -3.892 -13.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -15.160 -2.999 -12.748 1.00 0.00 H new ATOM 134 N LYS A 5 -13.865 -4.619 -7.339 1.00 0.00 N ATOM 135 CA LYS A 5 -14.307 -3.585 -6.382 1.00 0.00 C ATOM 136 C LYS A 5 -13.097 -2.811 -5.861 1.00 0.00 C ATOM 137 O LYS A 5 -13.056 -1.584 -5.978 1.00 0.00 O ATOM 138 CB LYS A 5 -15.091 -4.206 -5.214 1.00 0.00 C ATOM 139 CG LYS A 5 -16.536 -4.608 -5.571 1.00 0.00 C ATOM 140 CD LYS A 5 -17.618 -3.761 -4.871 1.00 0.00 C ATOM 141 CE LYS A 5 -18.457 -4.572 -3.870 1.00 0.00 C ATOM 142 NZ LYS A 5 -17.683 -5.014 -2.683 1.00 0.00 N ATOM 0 H LYS A 5 -14.008 -5.568 -6.994 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.975 -2.898 -6.902 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -14.557 -5.087 -4.859 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.116 -3.495 -4.388 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -16.668 -4.527 -6.650 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -16.685 -5.656 -5.310 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -17.142 -2.931 -4.350 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -18.277 -3.328 -5.624 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -19.302 -3.968 -3.540 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -18.868 -5.447 -4.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -18.326 -5.451 -1.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -16.965 -5.708 -2.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -17.214 -4.193 -2.249 1.00 0.00 H new ATOM 156 N GLY A 6 -12.090 -3.541 -5.375 1.00 0.00 N ATOM 157 CA GLY A 6 -10.813 -2.964 -4.959 1.00 0.00 C ATOM 158 C GLY A 6 -10.107 -2.188 -6.076 1.00 0.00 C ATOM 159 O GLY A 6 -9.571 -1.114 -5.817 1.00 0.00 O ATOM 0 H GLY A 6 -12.140 -4.553 -5.259 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -10.982 -2.297 -4.113 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -10.158 -3.762 -4.610 1.00 0.00 H new ATOM 163 N ALA A 7 -10.179 -2.670 -7.323 1.00 0.00 N ATOM 164 CA ALA A 7 -9.681 -1.949 -8.495 1.00 0.00 C ATOM 165 C ALA A 7 -10.358 -0.580 -8.662 1.00 0.00 C ATOM 166 O ALA A 7 -9.670 0.433 -8.792 1.00 0.00 O ATOM 167 CB ALA A 7 -9.868 -2.804 -9.758 1.00 0.00 C ATOM 0 H ALA A 7 -10.588 -3.578 -7.546 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.618 -1.763 -8.342 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.494 -2.259 -10.625 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.316 -3.737 -9.651 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.927 -3.023 -9.896 1.00 0.00 H new ATOM 173 N THR A 8 -11.698 -0.526 -8.665 1.00 0.00 N ATOM 174 CA THR A 8 -12.443 0.744 -8.744 1.00 0.00 C ATOM 175 C THR A 8 -12.222 1.681 -7.551 1.00 0.00 C ATOM 176 O THR A 8 -12.303 2.892 -7.729 1.00 0.00 O ATOM 177 CB THR A 8 -13.951 0.528 -8.958 1.00 0.00 C ATOM 178 OG1 THR A 8 -14.479 -0.490 -8.138 1.00 0.00 O ATOM 179 CG2 THR A 8 -14.237 0.118 -10.403 1.00 0.00 C ATOM 0 H THR A 8 -12.294 -1.352 -8.613 1.00 0.00 H new ATOM 0 HA THR A 8 -12.024 1.238 -9.621 1.00 0.00 H new ATOM 0 HB THR A 8 -14.420 1.479 -8.707 1.00 0.00 H new ATOM 0 HG1 THR A 8 -13.851 -0.683 -7.411 1.00 0.00 H new ATOM 0 HG21 THR A 8 -15.309 -0.030 -10.534 1.00 0.00 H new ATOM 0 HG22 THR A 8 -13.894 0.902 -11.078 1.00 0.00 H new ATOM 0 HG23 THR A 8 -13.712 -0.810 -10.628 1.00 0.00 H new ATOM 187 N LEU A 9 -11.889 1.159 -6.364 1.00 0.00 N ATOM 188 CA LEU A 9 -11.477 1.964 -5.207 1.00 0.00 C ATOM 189 C LEU A 9 -10.088 2.546 -5.451 1.00 0.00 C ATOM 190 O LEU A 9 -9.917 3.758 -5.548 1.00 0.00 O ATOM 191 CB LEU A 9 -11.482 1.124 -3.913 1.00 0.00 C ATOM 192 CG LEU A 9 -12.885 0.986 -3.315 1.00 0.00 C ATOM 193 CD1 LEU A 9 -12.904 -0.166 -2.308 1.00 0.00 C ATOM 194 CD2 LEU A 9 -13.329 2.255 -2.577 1.00 0.00 C ATOM 0 H LEU A 9 -11.898 0.156 -6.178 1.00 0.00 H new ATOM 0 HA LEU A 9 -12.193 2.776 -5.082 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.080 0.133 -4.124 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.821 1.586 -3.180 1.00 0.00 H new ATOM 0 HG LEU A 9 -13.567 0.803 -4.146 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -13.903 -0.262 -1.884 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.633 -1.094 -2.812 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.189 0.036 -1.510 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.330 2.108 -2.171 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.634 2.465 -1.764 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -13.339 3.095 -3.271 1.00 0.00 H new ATOM 206 N PHE A 10 -9.094 1.669 -5.603 1.00 0.00 N ATOM 207 CA PHE A 10 -7.682 1.992 -5.834 1.00 0.00 C ATOM 208 C PHE A 10 -7.489 3.082 -6.896 1.00 0.00 C ATOM 209 O PHE A 10 -6.716 4.023 -6.679 1.00 0.00 O ATOM 210 CB PHE A 10 -6.937 0.707 -6.220 1.00 0.00 C ATOM 211 CG PHE A 10 -5.469 0.902 -6.553 1.00 0.00 C ATOM 212 CD1 PHE A 10 -4.516 0.979 -5.524 1.00 0.00 C ATOM 213 CD2 PHE A 10 -5.044 0.959 -7.894 1.00 0.00 C ATOM 214 CE1 PHE A 10 -3.154 1.149 -5.827 1.00 0.00 C ATOM 215 CE2 PHE A 10 -3.672 1.047 -8.190 1.00 0.00 C ATOM 216 CZ PHE A 10 -2.727 1.167 -7.161 1.00 0.00 C ATOM 0 H PHE A 10 -9.259 0.663 -5.567 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.269 2.399 -4.911 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -7.018 -0.005 -5.398 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -7.434 0.259 -7.080 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.832 0.907 -4.494 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.770 0.935 -8.693 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.435 1.266 -5.030 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.343 1.022 -9.219 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.678 1.272 -7.395 1.00 0.00 H new ATOM 226 N LYS A 11 -8.232 2.986 -8.014 1.00 0.00 N ATOM 227 CA LYS A 11 -8.161 3.926 -9.153 1.00 0.00 C ATOM 228 C LYS A 11 -8.444 5.389 -8.771 1.00 0.00 C ATOM 229 O LYS A 11 -7.950 6.287 -9.443 1.00 0.00 O ATOM 230 CB LYS A 11 -9.123 3.475 -10.273 1.00 0.00 C ATOM 231 CG LYS A 11 -8.641 3.863 -11.685 1.00 0.00 C ATOM 232 CD LYS A 11 -7.771 2.755 -12.309 1.00 0.00 C ATOM 233 CE LYS A 11 -7.028 3.176 -13.590 1.00 0.00 C ATOM 234 NZ LYS A 11 -7.932 3.708 -14.639 1.00 0.00 N ATOM 0 H LYS A 11 -8.912 2.239 -8.156 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.130 3.898 -9.506 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.245 2.393 -10.223 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.105 3.915 -10.098 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.502 4.054 -12.325 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.070 4.790 -11.634 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.040 2.425 -11.571 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.404 1.897 -12.536 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.286 3.934 -13.340 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.486 2.318 -13.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.379 3.942 -15.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.646 2.991 -14.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.406 4.564 -14.287 1.00 0.00 H new ATOM 248 N THR A 12 -9.206 5.620 -7.696 1.00 0.00 N ATOM 249 CA THR A 12 -9.651 6.934 -7.181 1.00 0.00 C ATOM 250 C THR A 12 -9.381 7.094 -5.666 1.00 0.00 C ATOM 251 O THR A 12 -10.038 7.841 -4.940 1.00 0.00 O ATOM 252 CB THR A 12 -11.114 7.178 -7.595 1.00 0.00 C ATOM 253 OG1 THR A 12 -11.433 8.543 -7.502 1.00 0.00 O ATOM 254 CG2 THR A 12 -12.149 6.379 -6.805 1.00 0.00 C ATOM 0 H THR A 12 -9.554 4.852 -7.122 1.00 0.00 H new ATOM 0 HA THR A 12 -9.053 7.723 -7.637 1.00 0.00 H new ATOM 0 HB THR A 12 -11.169 6.827 -8.626 1.00 0.00 H new ATOM 0 HG1 THR A 12 -11.136 8.890 -6.635 1.00 0.00 H new ATOM 0 HG21 THR A 12 -13.148 6.618 -7.169 1.00 0.00 H new ATOM 0 HG22 THR A 12 -11.962 5.313 -6.934 1.00 0.00 H new ATOM 0 HG23 THR A 12 -12.077 6.635 -5.748 1.00 0.00 H new ATOM 262 N ARG A 13 -8.387 6.354 -5.155 1.00 0.00 N ATOM 263 CA ARG A 13 -7.900 6.403 -3.764 1.00 0.00 C ATOM 264 C ARG A 13 -6.382 6.569 -3.712 1.00 0.00 C ATOM 265 O ARG A 13 -5.874 7.491 -3.076 1.00 0.00 O ATOM 266 CB ARG A 13 -8.315 5.117 -3.015 1.00 0.00 C ATOM 267 CG ARG A 13 -9.807 4.988 -2.660 1.00 0.00 C ATOM 268 CD ARG A 13 -10.216 5.939 -1.533 1.00 0.00 C ATOM 269 NE ARG A 13 -11.484 5.524 -0.887 1.00 0.00 N ATOM 270 CZ ARG A 13 -12.627 6.185 -0.850 1.00 0.00 C ATOM 271 NH1 ARG A 13 -12.824 7.280 -1.534 1.00 0.00 N ATOM 272 NH2 ARG A 13 -13.604 5.759 -0.104 1.00 0.00 N ATOM 0 H ARG A 13 -7.877 5.676 -5.721 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.351 7.268 -3.279 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.033 4.259 -3.625 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.737 5.056 -2.093 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.409 5.195 -3.545 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.021 3.961 -2.363 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.424 5.976 -0.785 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.326 6.947 -1.932 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.472 4.620 -0.415 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.080 7.654 -2.124 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.722 7.761 -1.479 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.488 4.913 0.454 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.486 6.271 -0.077 1.00 0.00 H new ATOM 286 N CYS A 14 -5.680 5.665 -4.394 1.00 0.00 N ATOM 287 CA CYS A 14 -4.251 5.406 -4.239 1.00 0.00 C ATOM 288 C CYS A 14 -3.472 5.721 -5.519 1.00 0.00 C ATOM 289 O CYS A 14 -2.340 6.195 -5.448 1.00 0.00 O ATOM 290 CB CYS A 14 -4.052 3.922 -3.915 1.00 0.00 C ATOM 291 SG CYS A 14 -5.273 3.132 -2.810 1.00 0.00 S ATOM 0 H CYS A 14 -6.111 5.068 -5.100 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.879 6.047 -3.440 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.042 3.370 -4.855 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.066 3.805 -3.466 1.00 0.00 H new ATOM 0 HG CYS A 14 -4.961 1.881 -2.642 1.00 0.00 H new ATOM 296 N LEU A 15 -4.077 5.505 -6.700 1.00 0.00 N ATOM 297 CA LEU A 15 -3.417 5.635 -8.005 1.00 0.00 C ATOM 298 C LEU A 15 -2.845 7.042 -8.286 1.00 0.00 C ATOM 299 O LEU A 15 -1.863 7.200 -9.011 1.00 0.00 O ATOM 300 CB LEU A 15 -4.411 5.209 -9.099 1.00 0.00 C ATOM 301 CG LEU A 15 -3.733 4.967 -10.459 1.00 0.00 C ATOM 302 CD1 LEU A 15 -3.049 3.605 -10.526 1.00 0.00 C ATOM 303 CD2 LEU A 15 -4.770 5.008 -11.577 1.00 0.00 C ATOM 0 H LEU A 15 -5.057 5.230 -6.772 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.546 4.980 -8.000 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.921 4.298 -8.785 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.174 5.980 -9.210 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.987 5.753 -10.578 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.585 3.479 -11.504 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.285 3.543 -9.751 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.788 2.819 -10.371 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.279 4.836 -12.535 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.518 4.234 -11.408 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.255 5.984 -11.588 1.00 0.00 H new ATOM 315 N GLN A 16 -3.389 8.080 -7.643 1.00 0.00 N ATOM 316 CA GLN A 16 -2.792 9.421 -7.645 1.00 0.00 C ATOM 317 C GLN A 16 -1.319 9.440 -7.176 1.00 0.00 C ATOM 318 O GLN A 16 -0.538 10.255 -7.671 1.00 0.00 O ATOM 319 CB GLN A 16 -3.683 10.390 -6.853 1.00 0.00 C ATOM 320 CG GLN A 16 -3.829 10.049 -5.361 1.00 0.00 C ATOM 321 CD GLN A 16 -4.812 10.981 -4.660 1.00 0.00 C ATOM 322 OE1 GLN A 16 -4.930 12.157 -4.961 1.00 0.00 O ATOM 323 NE2 GLN A 16 -5.554 10.491 -3.695 1.00 0.00 N ATOM 0 H GLN A 16 -4.254 8.015 -7.107 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.749 9.762 -8.679 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.274 11.396 -6.944 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.674 10.406 -7.307 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.167 9.018 -5.255 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.855 10.116 -4.876 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.466 9.509 -3.432 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -6.219 11.092 -3.207 1.00 0.00 H new ATOM 332 N CYS A 17 -0.902 8.499 -6.323 1.00 0.00 N ATOM 333 CA CYS A 17 0.458 8.391 -5.776 1.00 0.00 C ATOM 334 C CYS A 17 1.187 7.077 -6.096 1.00 0.00 C ATOM 335 O CYS A 17 2.390 6.995 -5.836 1.00 0.00 O ATOM 336 CB CYS A 17 0.419 8.576 -4.259 1.00 0.00 C ATOM 337 SG CYS A 17 -0.283 10.153 -3.682 1.00 0.00 S ATOM 0 H CYS A 17 -1.522 7.765 -5.981 1.00 0.00 H new ATOM 0 HA CYS A 17 1.027 9.180 -6.268 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.159 7.760 -3.825 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.434 8.487 -3.873 1.00 0.00 H new ATOM 0 HG CYS A 17 -0.262 10.188 -2.383 1.00 0.00 H new ATOM 342 N HIS A 18 0.497 6.068 -6.643 1.00 0.00 N ATOM 343 CA HIS A 18 0.982 4.690 -6.816 1.00 0.00 C ATOM 344 C HIS A 18 0.614 4.047 -8.164 1.00 0.00 C ATOM 345 O HIS A 18 -0.144 4.594 -8.962 1.00 0.00 O ATOM 346 CB HIS A 18 0.406 3.831 -5.679 1.00 0.00 C ATOM 347 CG HIS A 18 1.081 4.060 -4.362 1.00 0.00 C ATOM 348 ND1 HIS A 18 2.418 3.864 -4.101 1.00 0.00 N ATOM 349 CD2 HIS A 18 0.461 4.391 -3.191 1.00 0.00 C ATOM 350 CE1 HIS A 18 2.594 4.062 -2.788 1.00 0.00 C ATOM 351 NE2 HIS A 18 1.429 4.380 -2.191 1.00 0.00 N ATOM 0 H HIS A 18 -0.453 6.193 -6.992 1.00 0.00 H new ATOM 0 HA HIS A 18 2.071 4.736 -6.794 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.658 4.044 -5.576 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.496 2.778 -5.947 1.00 0.00 H new ATOM 0 HD1 HIS A 18 3.138 3.615 -4.779 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -0.587 4.619 -3.064 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.542 3.978 -2.277 1.00 0.00 H new ATOM 359 N THR A 19 1.141 2.843 -8.388 1.00 0.00 N ATOM 360 CA THR A 19 0.991 1.990 -9.577 1.00 0.00 C ATOM 361 C THR A 19 0.784 0.518 -9.185 1.00 0.00 C ATOM 362 O THR A 19 1.017 0.132 -8.038 1.00 0.00 O ATOM 363 CB THR A 19 2.239 2.098 -10.453 1.00 0.00 C ATOM 364 OG1 THR A 19 3.346 1.824 -9.636 1.00 0.00 O ATOM 365 CG2 THR A 19 2.408 3.480 -11.075 1.00 0.00 C ATOM 0 H THR A 19 1.734 2.399 -7.687 1.00 0.00 H new ATOM 0 HA THR A 19 0.114 2.334 -10.126 1.00 0.00 H new ATOM 0 HB THR A 19 2.147 1.391 -11.278 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.146 1.719 -10.193 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.311 3.496 -11.686 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.543 3.706 -11.699 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.491 4.227 -10.285 1.00 0.00 H new ATOM 373 N VAL A 20 0.346 -0.299 -10.147 1.00 0.00 N ATOM 374 CA VAL A 20 -0.034 -1.710 -9.932 1.00 0.00 C ATOM 375 C VAL A 20 0.656 -2.693 -10.890 1.00 0.00 C ATOM 376 O VAL A 20 0.605 -3.904 -10.688 1.00 0.00 O ATOM 377 CB VAL A 20 -1.571 -1.805 -9.987 1.00 0.00 C ATOM 378 CG1 VAL A 20 -2.147 -1.734 -11.404 1.00 0.00 C ATOM 379 CG2 VAL A 20 -2.101 -3.036 -9.256 1.00 0.00 C ATOM 0 H VAL A 20 0.241 0.001 -11.116 1.00 0.00 H new ATOM 0 HA VAL A 20 0.321 -2.020 -8.949 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.920 -0.915 -9.463 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.234 -1.808 -11.359 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.866 -0.787 -11.864 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.752 -2.557 -11.999 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.189 -3.059 -9.323 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.691 -3.936 -9.714 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.803 -2.994 -8.208 1.00 0.00 H new ATOM 389 N GLU A 21 1.330 -2.186 -11.922 1.00 0.00 N ATOM 390 CA GLU A 21 1.888 -2.991 -13.017 1.00 0.00 C ATOM 391 C GLU A 21 3.421 -3.131 -12.918 1.00 0.00 C ATOM 392 O GLU A 21 4.116 -2.381 -12.224 1.00 0.00 O ATOM 393 CB GLU A 21 1.407 -2.471 -14.384 1.00 0.00 C ATOM 394 CG GLU A 21 -0.129 -2.295 -14.411 1.00 0.00 C ATOM 395 CD GLU A 21 -0.700 -1.766 -15.732 1.00 0.00 C ATOM 396 OE1 GLU A 21 -0.240 -2.235 -16.795 1.00 0.00 O ATOM 397 OE2 GLU A 21 -1.605 -0.900 -15.644 1.00 0.00 O ATOM 0 H GLU A 21 1.509 -1.187 -12.026 1.00 0.00 H new ATOM 0 HA GLU A 21 1.503 -4.006 -12.917 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.888 -1.518 -14.602 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.709 -3.167 -15.167 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.593 -3.257 -14.192 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.415 -1.613 -13.610 1.00 0.00 H new ATOM 440 N PRO A 25 5.962 2.941 -13.569 1.00 0.00 N ATOM 441 CA PRO A 25 6.569 4.206 -13.178 1.00 0.00 C ATOM 442 C PRO A 25 6.375 4.512 -11.686 1.00 0.00 C ATOM 443 O PRO A 25 5.293 4.915 -11.255 1.00 0.00 O ATOM 444 CB PRO A 25 5.937 5.265 -14.090 1.00 0.00 C ATOM 445 CG PRO A 25 4.568 4.677 -14.431 1.00 0.00 C ATOM 446 CD PRO A 25 4.840 3.173 -14.472 1.00 0.00 C ATOM 0 HA PRO A 25 7.652 4.182 -13.301 1.00 0.00 H new ATOM 0 HB2 PRO A 25 5.846 6.226 -13.584 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.536 5.432 -14.985 1.00 0.00 H new ATOM 0 HG2 PRO A 25 3.821 4.932 -13.679 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.197 5.046 -15.387 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.962 2.609 -14.156 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.080 2.848 -15.484 1.00 0.00 H new ATOM 454 N HIS A 26 7.454 4.368 -10.915 1.00 0.00 N ATOM 455 CA HIS A 26 7.596 4.979 -9.598 1.00 0.00 C ATOM 456 C HIS A 26 7.187 6.458 -9.640 1.00 0.00 C ATOM 457 O HIS A 26 7.660 7.228 -10.477 1.00 0.00 O ATOM 458 CB HIS A 26 9.047 4.864 -9.134 1.00 0.00 C ATOM 459 CG HIS A 26 9.550 3.473 -8.868 1.00 0.00 C ATOM 460 ND1 HIS A 26 8.794 2.341 -8.669 1.00 0.00 N ATOM 461 CD2 HIS A 26 10.863 3.133 -8.693 1.00 0.00 C ATOM 462 CE1 HIS A 26 9.641 1.348 -8.342 1.00 0.00 C ATOM 463 NE2 HIS A 26 10.904 1.795 -8.322 1.00 0.00 N ATOM 0 H HIS A 26 8.264 3.815 -11.195 1.00 0.00 H new ATOM 0 HA HIS A 26 6.943 4.456 -8.900 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.686 5.321 -9.890 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.163 5.450 -8.223 1.00 0.00 H new ATOM 0 HD2 HIS A 26 11.714 3.786 -8.820 1.00 0.00 H new ATOM 0 HE1 HIS A 26 9.344 0.332 -8.126 1.00 0.00 H new ATOM 0 HE2 HIS A 26 11.736 1.256 -8.081 1.00 0.00 H new ATOM 471 N LYS A 27 6.282 6.845 -8.746 1.00 0.00 N ATOM 472 CA LYS A 27 5.555 8.117 -8.755 1.00 0.00 C ATOM 473 C LYS A 27 5.871 8.889 -7.464 1.00 0.00 C ATOM 474 O LYS A 27 7.025 8.939 -7.026 1.00 0.00 O ATOM 475 CB LYS A 27 4.072 7.761 -9.023 1.00 0.00 C ATOM 476 CG LYS A 27 3.228 8.879 -9.655 1.00 0.00 C ATOM 477 CD LYS A 27 1.798 8.369 -9.912 1.00 0.00 C ATOM 478 CE LYS A 27 0.953 9.321 -10.770 1.00 0.00 C ATOM 479 NZ LYS A 27 0.702 10.623 -10.104 1.00 0.00 N ATOM 0 H LYS A 27 6.021 6.254 -7.957 1.00 0.00 H new ATOM 0 HA LYS A 27 5.853 8.812 -9.540 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.038 6.890 -9.677 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.610 7.470 -8.080 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.202 9.746 -8.994 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.682 9.205 -10.591 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.850 7.398 -10.405 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.299 8.215 -8.956 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.460 9.495 -11.719 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.001 8.846 -11.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.293 11.290 -10.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.039 10.487 -9.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.598 11.006 -9.741 1.00 0.00 H new ATOM 493 N VAL A 28 4.852 9.496 -6.851 1.00 0.00 N ATOM 494 CA VAL A 28 4.914 10.060 -5.493 1.00 0.00 C ATOM 495 C VAL A 28 5.468 9.017 -4.511 1.00 0.00 C ATOM 496 O VAL A 28 6.350 9.344 -3.714 1.00 0.00 O ATOM 497 CB VAL A 28 3.525 10.549 -5.045 1.00 0.00 C ATOM 498 CG1 VAL A 28 3.556 11.215 -3.667 1.00 0.00 C ATOM 499 CG2 VAL A 28 2.911 11.553 -6.029 1.00 0.00 C ATOM 0 H VAL A 28 3.939 9.614 -7.291 1.00 0.00 H new ATOM 0 HA VAL A 28 5.587 10.918 -5.502 1.00 0.00 H new ATOM 0 HB VAL A 28 2.914 9.647 -5.007 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.551 11.542 -3.398 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.916 10.501 -2.926 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.223 12.077 -3.694 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.932 11.866 -5.666 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.562 12.423 -6.114 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.802 11.084 -7.007 1.00 0.00 H new ATOM 509 N GLY A 29 4.988 7.770 -4.614 1.00 0.00 N ATOM 510 CA GLY A 29 5.519 6.585 -3.949 1.00 0.00 C ATOM 511 C GLY A 29 5.967 5.485 -4.930 1.00 0.00 C ATOM 512 O GLY A 29 5.910 5.678 -6.148 1.00 0.00 O ATOM 0 H GLY A 29 4.177 7.556 -5.195 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.366 6.875 -3.327 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.758 6.180 -3.282 1.00 0.00 H new ATOM 516 N PRO A 30 6.418 4.337 -4.397 1.00 0.00 N ATOM 517 CA PRO A 30 6.912 3.197 -5.174 1.00 0.00 C ATOM 518 C PRO A 30 5.802 2.438 -5.923 1.00 0.00 C ATOM 519 O PRO A 30 4.614 2.762 -5.832 1.00 0.00 O ATOM 520 CB PRO A 30 7.589 2.302 -4.130 1.00 0.00 C ATOM 521 CG PRO A 30 6.751 2.538 -2.880 1.00 0.00 C ATOM 522 CD PRO A 30 6.443 4.026 -2.972 1.00 0.00 C ATOM 0 HA PRO A 30 7.586 3.524 -5.966 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.580 1.254 -4.430 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.632 2.580 -3.975 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.844 1.934 -2.879 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.299 2.292 -1.971 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.486 4.257 -2.504 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.201 4.615 -2.456 1.00 0.00 H new ATOM 530 N ASN A 31 6.192 1.383 -6.643 1.00 0.00 N ATOM 531 CA ASN A 31 5.283 0.377 -7.174 1.00 0.00 C ATOM 532 C ASN A 31 4.660 -0.468 -6.047 1.00 0.00 C ATOM 533 O ASN A 31 5.272 -0.642 -4.996 1.00 0.00 O ATOM 534 CB ASN A 31 6.101 -0.493 -8.142 1.00 0.00 C ATOM 535 CG ASN A 31 6.553 0.258 -9.382 1.00 0.00 C ATOM 536 OD1 ASN A 31 6.059 1.325 -9.719 1.00 0.00 O ATOM 537 ND2 ASN A 31 7.529 -0.230 -10.096 1.00 0.00 N ATOM 0 H ASN A 31 7.169 1.205 -6.875 1.00 0.00 H new ATOM 0 HA ASN A 31 4.448 0.848 -7.692 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.976 -0.881 -7.621 1.00 0.00 H new ATOM 0 HB3 ASN A 31 5.502 -1.352 -8.443 1.00 0.00 H new ATOM 0 HD21 ASN A 31 7.864 0.277 -10.915 1.00 0.00 H new ATOM 0 HD22 ASN A 31 7.957 -1.118 -9.835 1.00 0.00 H new ATOM 544 N LEU A 32 3.473 -1.040 -6.282 1.00 0.00 N ATOM 545 CA LEU A 32 2.764 -1.918 -5.345 1.00 0.00 C ATOM 546 C LEU A 32 2.497 -3.312 -5.956 1.00 0.00 C ATOM 547 O LEU A 32 1.452 -3.919 -5.746 1.00 0.00 O ATOM 548 CB LEU A 32 1.485 -1.222 -4.843 1.00 0.00 C ATOM 549 CG LEU A 32 1.665 0.128 -4.120 1.00 0.00 C ATOM 550 CD1 LEU A 32 0.291 0.652 -3.690 1.00 0.00 C ATOM 551 CD2 LEU A 32 2.537 0.039 -2.865 1.00 0.00 C ATOM 0 H LEU A 32 2.965 -0.900 -7.155 1.00 0.00 H new ATOM 0 HA LEU A 32 3.400 -2.099 -4.479 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.827 -1.064 -5.697 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.971 -1.904 -4.166 1.00 0.00 H new ATOM 0 HG LEU A 32 2.162 0.791 -4.828 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.410 1.607 -3.178 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.338 0.788 -4.570 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.177 -0.065 -3.016 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.620 1.025 -2.409 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.083 -0.652 -2.155 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.530 -0.320 -3.137 1.00 0.00 H new ATOM 563 N HIS A 33 3.453 -3.840 -6.726 1.00 0.00 N ATOM 564 CA HIS A 33 3.389 -5.123 -7.445 1.00 0.00 C ATOM 565 C HIS A 33 4.484 -6.074 -6.934 1.00 0.00 C ATOM 566 O HIS A 33 5.607 -6.031 -7.425 1.00 0.00 O ATOM 567 CB HIS A 33 3.529 -4.824 -8.952 1.00 0.00 C ATOM 568 CG HIS A 33 3.328 -6.019 -9.852 1.00 0.00 C ATOM 569 ND1 HIS A 33 2.249 -6.214 -10.674 1.00 0.00 N ATOM 570 CD2 HIS A 33 4.138 -7.114 -9.974 1.00 0.00 C ATOM 571 CE1 HIS A 33 2.376 -7.419 -11.252 1.00 0.00 C ATOM 572 NE2 HIS A 33 3.536 -7.998 -10.881 1.00 0.00 N ATOM 0 H HIS A 33 4.341 -3.361 -6.875 1.00 0.00 H new ATOM 0 HA HIS A 33 2.438 -5.625 -7.270 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.807 -4.055 -9.225 1.00 0.00 H new ATOM 0 HB3 HIS A 33 4.520 -4.410 -9.136 1.00 0.00 H new ATOM 0 HD1 HIS A 33 1.482 -5.557 -10.821 1.00 0.00 H new ATOM 0 HD2 HIS A 33 5.076 -7.270 -9.462 1.00 0.00 H new ATOM 0 HE1 HIS A 33 1.652 -7.862 -11.920 1.00 0.00 H new ATOM 580 N GLY A 34 4.195 -6.920 -5.936 1.00 0.00 N ATOM 581 CA GLY A 34 5.202 -7.777 -5.280 1.00 0.00 C ATOM 582 C GLY A 34 5.684 -7.307 -3.901 1.00 0.00 C ATOM 583 O GLY A 34 6.685 -7.816 -3.402 1.00 0.00 O ATOM 0 H GLY A 34 3.255 -7.032 -5.557 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.786 -8.779 -5.176 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.067 -7.857 -5.938 1.00 0.00 H new ATOM 587 N ILE A 35 5.004 -6.329 -3.290 1.00 0.00 N ATOM 588 CA ILE A 35 5.334 -5.838 -1.938 1.00 0.00 C ATOM 589 C ILE A 35 4.992 -6.823 -0.806 1.00 0.00 C ATOM 590 O ILE A 35 5.659 -6.796 0.223 1.00 0.00 O ATOM 591 CB ILE A 35 4.733 -4.443 -1.649 1.00 0.00 C ATOM 592 CG1 ILE A 35 3.209 -4.403 -1.389 1.00 0.00 C ATOM 593 CG2 ILE A 35 5.152 -3.441 -2.736 1.00 0.00 C ATOM 594 CD1 ILE A 35 2.307 -4.895 -2.526 1.00 0.00 C ATOM 0 H ILE A 35 4.209 -5.853 -3.716 1.00 0.00 H new ATOM 0 HA ILE A 35 6.420 -5.746 -1.946 1.00 0.00 H new ATOM 0 HB ILE A 35 5.161 -4.147 -0.691 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.998 -5.002 -0.503 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.930 -3.376 -1.153 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.720 -2.465 -2.517 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.239 -3.361 -2.757 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.795 -3.786 -3.706 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.263 -4.817 -2.222 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.473 -4.283 -3.413 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.542 -5.935 -2.753 1.00 0.00 H new ATOM 606 N PHE A 36 3.978 -7.683 -0.974 1.00 0.00 N ATOM 607 CA PHE A 36 3.565 -8.714 -0.023 1.00 0.00 C ATOM 608 C PHE A 36 4.679 -9.745 0.179 1.00 0.00 C ATOM 609 O PHE A 36 5.261 -10.264 -0.772 1.00 0.00 O ATOM 610 CB PHE A 36 2.256 -9.389 -0.468 1.00 0.00 C ATOM 611 CG PHE A 36 1.017 -8.535 -0.267 1.00 0.00 C ATOM 612 CD1 PHE A 36 0.376 -8.502 0.987 1.00 0.00 C ATOM 613 CD2 PHE A 36 0.498 -7.771 -1.328 1.00 0.00 C ATOM 614 CE1 PHE A 36 -0.767 -7.705 1.179 1.00 0.00 C ATOM 615 CE2 PHE A 36 -0.639 -6.968 -1.131 1.00 0.00 C ATOM 616 CZ PHE A 36 -1.281 -6.942 0.119 1.00 0.00 C ATOM 0 H PHE A 36 3.400 -7.675 -1.815 1.00 0.00 H new ATOM 0 HA PHE A 36 3.376 -8.231 0.936 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.336 -9.651 -1.523 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.135 -10.321 0.084 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.764 -9.091 1.805 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.974 -7.801 -2.297 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.250 -7.680 2.144 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.021 -6.368 -1.944 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.165 -6.338 0.263 1.00 0.00 H new ATOM 626 N GLY A 37 5.013 -9.991 1.442 1.00 0.00 N ATOM 627 CA GLY A 37 6.150 -10.817 1.866 1.00 0.00 C ATOM 628 C GLY A 37 7.522 -10.146 1.696 1.00 0.00 C ATOM 629 O GLY A 37 8.542 -10.704 2.109 1.00 0.00 O ATOM 0 H GLY A 37 4.486 -9.611 2.228 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.018 -11.085 2.914 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.141 -11.746 1.296 1.00 0.00 H new ATOM 633 N ARG A 38 7.582 -8.934 1.124 1.00 0.00 N ATOM 634 CA ARG A 38 8.744 -8.051 1.252 1.00 0.00 C ATOM 635 C ARG A 38 8.710 -7.372 2.620 1.00 0.00 C ATOM 636 O ARG A 38 7.683 -7.305 3.290 1.00 0.00 O ATOM 637 CB ARG A 38 8.752 -7.021 0.102 1.00 0.00 C ATOM 638 CG ARG A 38 10.145 -6.532 -0.303 1.00 0.00 C ATOM 639 CD ARG A 38 10.897 -7.603 -1.097 1.00 0.00 C ATOM 640 NE ARG A 38 12.356 -7.407 -1.000 1.00 0.00 N ATOM 641 CZ ARG A 38 13.317 -8.259 -1.303 1.00 0.00 C ATOM 642 NH1 ARG A 38 13.079 -9.405 -1.883 1.00 0.00 N ATOM 643 NH2 ARG A 38 14.549 -7.963 -1.010 1.00 0.00 N ATOM 0 H ARG A 38 6.827 -8.542 0.562 1.00 0.00 H new ATOM 0 HA ARG A 38 9.665 -8.630 1.180 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.269 -7.464 -0.769 1.00 0.00 H new ATOM 0 HB3 ARG A 38 8.151 -6.161 0.397 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.055 -5.626 -0.903 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.715 -6.269 0.588 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.634 -8.592 -0.721 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.591 -7.568 -2.142 1.00 0.00 H new ATOM 0 HE ARG A 38 12.661 -6.497 -0.655 1.00 0.00 H new ATOM 0 HH11 ARG A 38 12.122 -9.669 -2.118 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.850 -10.036 -2.101 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.765 -7.079 -0.550 1.00 0.00 H new ATOM 0 HH22 ARG A 38 15.299 -8.615 -1.240 1.00 0.00 H new ATOM 657 N HIS A 39 9.849 -6.815 2.996 1.00 0.00 N ATOM 658 CA HIS A 39 9.927 -5.806 4.048 1.00 0.00 C ATOM 659 C HIS A 39 9.671 -4.434 3.429 1.00 0.00 C ATOM 660 O HIS A 39 10.092 -4.189 2.295 1.00 0.00 O ATOM 661 CB HIS A 39 11.312 -5.845 4.700 1.00 0.00 C ATOM 662 CG HIS A 39 11.563 -7.149 5.404 1.00 0.00 C ATOM 663 ND1 HIS A 39 12.078 -8.294 4.837 1.00 0.00 N ATOM 664 CD2 HIS A 39 11.214 -7.435 6.693 1.00 0.00 C ATOM 665 CE1 HIS A 39 12.033 -9.260 5.772 1.00 0.00 C ATOM 666 NE2 HIS A 39 11.521 -8.780 6.912 1.00 0.00 N ATOM 0 H HIS A 39 10.751 -7.048 2.581 1.00 0.00 H new ATOM 0 HA HIS A 39 9.179 -6.005 4.815 1.00 0.00 H new ATOM 0 HB2 HIS A 39 12.076 -5.691 3.938 1.00 0.00 H new ATOM 0 HB3 HIS A 39 11.401 -5.025 5.412 1.00 0.00 H new ATOM 0 HD2 HIS A 39 10.782 -6.750 7.408 1.00 0.00 H new ATOM 0 HE1 HIS A 39 12.363 -10.278 5.624 1.00 0.00 H new ATOM 0 HE2 HIS A 39 11.381 -9.299 7.779 1.00 0.00 H new ATOM 674 N SER A 40 9.020 -3.549 4.180 1.00 0.00 N ATOM 675 CA SER A 40 8.769 -2.171 3.766 1.00 0.00 C ATOM 676 C SER A 40 10.061 -1.425 3.430 1.00 0.00 C ATOM 677 O SER A 40 11.110 -1.671 4.039 1.00 0.00 O ATOM 678 CB SER A 40 7.935 -1.433 4.819 1.00 0.00 C ATOM 679 OG SER A 40 8.681 -1.012 5.951 1.00 0.00 O ATOM 0 H SER A 40 8.648 -3.771 5.103 1.00 0.00 H new ATOM 0 HA SER A 40 8.189 -2.203 2.844 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.472 -0.561 4.356 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.127 -2.085 5.151 1.00 0.00 H new ATOM 0 HG SER A 40 8.756 -0.035 5.948 1.00 0.00 H new ATOM 685 N GLY A 41 9.984 -0.536 2.442 1.00 0.00 N ATOM 686 CA GLY A 41 11.146 0.225 1.968 1.00 0.00 C ATOM 687 C GLY A 41 12.086 -0.482 0.978 1.00 0.00 C ATOM 688 O GLY A 41 13.297 -0.333 1.130 1.00 0.00 O ATOM 0 H GLY A 41 9.119 -0.321 1.946 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.783 1.139 1.497 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.732 0.525 2.837 1.00 0.00 H new ATOM 692 N GLN A 42 11.587 -1.279 0.013 1.00 0.00 N ATOM 693 CA GLN A 42 12.422 -2.117 -0.882 1.00 0.00 C ATOM 694 C GLN A 42 12.035 -2.182 -2.385 1.00 0.00 C ATOM 695 O GLN A 42 12.411 -3.141 -3.060 1.00 0.00 O ATOM 696 CB GLN A 42 12.576 -3.528 -0.273 1.00 0.00 C ATOM 697 CG GLN A 42 13.367 -3.499 1.043 1.00 0.00 C ATOM 698 CD GLN A 42 13.951 -4.841 1.462 1.00 0.00 C ATOM 699 OE1 GLN A 42 14.071 -5.805 0.708 1.00 0.00 O ATOM 700 NE2 GLN A 42 14.354 -4.949 2.707 1.00 0.00 N ATOM 0 H GLN A 42 10.587 -1.363 -0.172 1.00 0.00 H new ATOM 0 HA GLN A 42 13.377 -1.593 -0.922 1.00 0.00 H new ATOM 0 HB2 GLN A 42 11.590 -3.956 -0.095 1.00 0.00 H new ATOM 0 HB3 GLN A 42 13.082 -4.178 -0.987 1.00 0.00 H new ATOM 0 HG2 GLN A 42 14.179 -2.778 0.948 1.00 0.00 H new ATOM 0 HG3 GLN A 42 12.713 -3.139 1.837 1.00 0.00 H new ATOM 0 HE21 GLN A 42 14.261 -4.158 3.344 1.00 0.00 H new ATOM 0 HE22 GLN A 42 14.760 -5.824 3.037 1.00 0.00 H new ATOM 741 N TYR A 46 14.547 2.819 -5.704 1.00 0.00 N ATOM 742 CA TYR A 46 13.904 4.045 -5.232 1.00 0.00 C ATOM 743 C TYR A 46 14.192 4.319 -3.745 1.00 0.00 C ATOM 744 O TYR A 46 14.055 3.437 -2.902 1.00 0.00 O ATOM 745 CB TYR A 46 12.411 3.889 -5.530 1.00 0.00 C ATOM 746 CG TYR A 46 11.579 5.144 -5.389 1.00 0.00 C ATOM 747 CD1 TYR A 46 11.129 5.524 -4.117 1.00 0.00 C ATOM 748 CD2 TYR A 46 11.202 5.891 -6.522 1.00 0.00 C ATOM 749 CE1 TYR A 46 10.219 6.586 -3.978 1.00 0.00 C ATOM 750 CE2 TYR A 46 10.292 6.958 -6.391 1.00 0.00 C ATOM 751 CZ TYR A 46 9.767 7.275 -5.124 1.00 0.00 C ATOM 752 OH TYR A 46 8.839 8.259 -5.010 1.00 0.00 O ATOM 0 HA TYR A 46 14.304 4.919 -5.746 1.00 0.00 H new ATOM 0 HB2 TYR A 46 12.300 3.514 -6.547 1.00 0.00 H new ATOM 0 HB3 TYR A 46 12.004 3.129 -4.864 1.00 0.00 H new ATOM 0 HD1 TYR A 46 11.482 4.999 -3.242 1.00 0.00 H new ATOM 0 HD2 TYR A 46 11.611 5.646 -7.491 1.00 0.00 H new ATOM 0 HE1 TYR A 46 9.867 6.874 -2.998 1.00 0.00 H new ATOM 0 HE2 TYR A 46 9.998 7.530 -7.259 1.00 0.00 H new ATOM 0 HH TYR A 46 8.323 8.320 -5.841 1.00 0.00 H new ATOM 762 N SER A 47 14.582 5.554 -3.408 1.00 0.00 N ATOM 763 CA SER A 47 14.820 5.987 -2.021 1.00 0.00 C ATOM 764 C SER A 47 13.521 6.255 -1.250 1.00 0.00 C ATOM 765 O SER A 47 12.672 7.031 -1.692 1.00 0.00 O ATOM 766 CB SER A 47 15.667 7.258 -1.990 1.00 0.00 C ATOM 767 OG SER A 47 16.921 7.022 -2.603 1.00 0.00 O ATOM 0 H SER A 47 14.744 6.290 -4.095 1.00 0.00 H new ATOM 0 HA SER A 47 15.345 5.163 -1.537 1.00 0.00 H new ATOM 0 HB2 SER A 47 15.146 8.064 -2.507 1.00 0.00 H new ATOM 0 HB3 SER A 47 15.812 7.582 -0.960 1.00 0.00 H new ATOM 0 HG SER A 47 17.456 7.843 -2.580 1.00 0.00 H new ATOM 773 N TYR A 48 13.402 5.655 -0.066 1.00 0.00 N ATOM 774 CA TYR A 48 12.271 5.802 0.854 1.00 0.00 C ATOM 775 C TYR A 48 12.571 6.796 1.983 1.00 0.00 C ATOM 776 O TYR A 48 13.723 7.182 2.196 1.00 0.00 O ATOM 777 CB TYR A 48 11.958 4.426 1.452 1.00 0.00 C ATOM 778 CG TYR A 48 11.213 3.507 0.515 1.00 0.00 C ATOM 779 CD1 TYR A 48 11.888 2.821 -0.511 1.00 0.00 C ATOM 780 CD2 TYR A 48 9.847 3.279 0.729 1.00 0.00 C ATOM 781 CE1 TYR A 48 11.200 1.881 -1.293 1.00 0.00 C ATOM 782 CE2 TYR A 48 9.161 2.308 -0.021 1.00 0.00 C ATOM 783 CZ TYR A 48 9.851 1.589 -1.017 1.00 0.00 C ATOM 784 OH TYR A 48 9.259 0.551 -1.650 1.00 0.00 O ATOM 0 H TYR A 48 14.120 5.027 0.295 1.00 0.00 H new ATOM 0 HA TYR A 48 11.419 6.193 0.298 1.00 0.00 H new ATOM 0 HB2 TYR A 48 12.892 3.948 1.747 1.00 0.00 H new ATOM 0 HB3 TYR A 48 11.368 4.560 2.359 1.00 0.00 H new ATOM 0 HD1 TYR A 48 12.934 3.018 -0.696 1.00 0.00 H new ATOM 0 HD2 TYR A 48 9.318 3.853 1.475 1.00 0.00 H new ATOM 0 HE1 TYR A 48 11.705 1.382 -2.106 1.00 0.00 H new ATOM 0 HE2 TYR A 48 8.115 2.115 0.165 1.00 0.00 H new ATOM 0 HH TYR A 48 8.328 0.475 -1.354 1.00 0.00 H new ATOM 794 N THR A 49 11.550 7.177 2.754 1.00 0.00 N ATOM 795 CA THR A 49 11.745 7.881 4.028 1.00 0.00 C ATOM 796 C THR A 49 12.372 6.973 5.073 1.00 0.00 C ATOM 797 O THR A 49 11.970 5.823 5.253 1.00 0.00 O ATOM 798 CB THR A 49 10.452 8.486 4.602 1.00 0.00 C ATOM 799 OG1 THR A 49 9.375 7.574 4.690 1.00 0.00 O ATOM 800 CG2 THR A 49 10.051 9.703 3.779 1.00 0.00 C ATOM 0 H THR A 49 10.572 7.009 2.518 1.00 0.00 H new ATOM 0 HA THR A 49 12.420 8.704 3.795 1.00 0.00 H new ATOM 0 HB THR A 49 10.675 8.774 5.629 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.298 7.246 5.610 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.135 10.132 4.186 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.847 10.446 3.817 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.883 9.403 2.744 1.00 0.00 H new ATOM 808 N ASP A 50 13.339 7.513 5.818 1.00 0.00 N ATOM 809 CA ASP A 50 14.009 6.780 6.895 1.00 0.00 C ATOM 810 C ASP A 50 13.024 6.196 7.926 1.00 0.00 C ATOM 811 O ASP A 50 13.199 5.061 8.350 1.00 0.00 O ATOM 812 CB ASP A 50 15.055 7.677 7.556 1.00 0.00 C ATOM 813 CG ASP A 50 15.824 6.884 8.608 1.00 0.00 C ATOM 814 OD1 ASP A 50 16.824 6.210 8.273 1.00 0.00 O ATOM 815 OD2 ASP A 50 15.427 6.913 9.791 1.00 0.00 O ATOM 0 H ASP A 50 13.679 8.467 5.693 1.00 0.00 H new ATOM 0 HA ASP A 50 14.509 5.920 6.450 1.00 0.00 H new ATOM 0 HB2 ASP A 50 15.743 8.064 6.804 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.570 8.537 8.018 1.00 0.00 H new ATOM 820 N ALA A 51 11.930 6.900 8.244 1.00 0.00 N ATOM 821 CA ALA A 51 10.858 6.403 9.109 1.00 0.00 C ATOM 822 C ALA A 51 10.253 5.064 8.632 1.00 0.00 C ATOM 823 O ALA A 51 9.999 4.181 9.453 1.00 0.00 O ATOM 824 CB ALA A 51 9.785 7.496 9.226 1.00 0.00 C ATOM 0 H ALA A 51 11.764 7.846 7.901 1.00 0.00 H new ATOM 0 HA ALA A 51 11.284 6.184 10.088 1.00 0.00 H new ATOM 0 HB1 ALA A 51 8.976 7.145 9.867 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.226 8.394 9.658 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.390 7.725 8.236 1.00 0.00 H new ATOM 830 N ASN A 52 10.038 4.894 7.320 1.00 0.00 N ATOM 831 CA ASN A 52 9.573 3.634 6.738 1.00 0.00 C ATOM 832 C ASN A 52 10.636 2.532 6.891 1.00 0.00 C ATOM 833 O ASN A 52 10.355 1.436 7.375 1.00 0.00 O ATOM 834 CB ASN A 52 9.170 3.898 5.273 1.00 0.00 C ATOM 835 CG ASN A 52 8.453 2.727 4.620 1.00 0.00 C ATOM 836 OD1 ASN A 52 8.371 1.628 5.141 1.00 0.00 O ATOM 837 ND2 ASN A 52 7.862 2.936 3.468 1.00 0.00 N ATOM 0 H ASN A 52 10.184 5.633 6.632 1.00 0.00 H new ATOM 0 HA ASN A 52 8.696 3.263 7.269 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.525 4.776 5.235 1.00 0.00 H new ATOM 0 HB3 ASN A 52 10.064 4.134 4.696 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.341 2.183 3.018 1.00 0.00 H new ATOM 0 HD22 ASN A 52 7.923 3.851 3.022 1.00 0.00 H new ATOM 844 N ILE A 53 11.890 2.841 6.563 1.00 0.00 N ATOM 845 CA ILE A 53 13.038 1.930 6.685 1.00 0.00 C ATOM 846 C ILE A 53 13.230 1.459 8.133 1.00 0.00 C ATOM 847 O ILE A 53 13.322 0.262 8.376 1.00 0.00 O ATOM 848 CB ILE A 53 14.306 2.614 6.148 1.00 0.00 C ATOM 849 CG1 ILE A 53 14.145 2.972 4.648 1.00 0.00 C ATOM 850 CG2 ILE A 53 15.555 1.735 6.343 1.00 0.00 C ATOM 851 CD1 ILE A 53 15.223 3.914 4.095 1.00 0.00 C ATOM 0 H ILE A 53 12.147 3.757 6.194 1.00 0.00 H new ATOM 0 HA ILE A 53 12.840 1.042 6.085 1.00 0.00 H new ATOM 0 HB ILE A 53 14.443 3.530 6.722 1.00 0.00 H new ATOM 0 HG12 ILE A 53 14.153 2.051 4.066 1.00 0.00 H new ATOM 0 HG13 ILE A 53 13.168 3.433 4.501 1.00 0.00 H new ATOM 0 HG21 ILE A 53 16.430 2.254 5.951 1.00 0.00 H new ATOM 0 HG22 ILE A 53 15.697 1.536 7.405 1.00 0.00 H new ATOM 0 HG23 ILE A 53 15.423 0.793 5.811 1.00 0.00 H new ATOM 0 HD11 ILE A 53 15.030 4.109 3.040 1.00 0.00 H new ATOM 0 HD12 ILE A 53 15.203 4.854 4.647 1.00 0.00 H new ATOM 0 HD13 ILE A 53 16.203 3.450 4.205 1.00 0.00 H new ATOM 863 N LYS A 54 13.220 2.367 9.118 1.00 0.00 N ATOM 864 CA LYS A 54 13.283 2.053 10.557 1.00 0.00 C ATOM 865 C LYS A 54 12.120 1.197 11.061 1.00 0.00 C ATOM 866 O LYS A 54 12.164 0.718 12.193 1.00 0.00 O ATOM 867 CB LYS A 54 13.368 3.354 11.366 1.00 0.00 C ATOM 868 CG LYS A 54 14.670 4.104 11.083 1.00 0.00 C ATOM 869 CD LYS A 54 15.917 3.506 11.757 1.00 0.00 C ATOM 870 CE LYS A 54 17.164 3.836 10.929 1.00 0.00 C ATOM 871 NZ LYS A 54 17.330 5.293 10.738 1.00 0.00 N ATOM 0 H LYS A 54 13.166 3.369 8.934 1.00 0.00 H new ATOM 0 HA LYS A 54 14.181 1.451 10.700 1.00 0.00 H new ATOM 0 HB2 LYS A 54 12.519 3.992 11.122 1.00 0.00 H new ATOM 0 HB3 LYS A 54 13.301 3.127 12.430 1.00 0.00 H new ATOM 0 HG2 LYS A 54 14.833 4.128 10.005 1.00 0.00 H new ATOM 0 HG3 LYS A 54 14.557 5.137 11.411 1.00 0.00 H new ATOM 0 HD2 LYS A 54 16.023 3.905 12.766 1.00 0.00 H new ATOM 0 HD3 LYS A 54 15.808 2.426 11.852 1.00 0.00 H new ATOM 0 HE2 LYS A 54 18.046 3.432 11.425 1.00 0.00 H new ATOM 0 HE3 LYS A 54 17.094 3.348 9.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 17.552 5.489 9.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 16.449 5.780 10.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 18.106 5.636 11.339 1.00 0.00 H new ATOM 885 N LYS A 55 11.092 1.002 10.226 1.00 0.00 N ATOM 886 CA LYS A 55 9.995 0.057 10.484 1.00 0.00 C ATOM 887 C LYS A 55 10.278 -1.356 9.956 1.00 0.00 C ATOM 888 O LYS A 55 9.841 -2.301 10.605 1.00 0.00 O ATOM 889 CB LYS A 55 8.664 0.622 9.934 1.00 0.00 C ATOM 890 CG LYS A 55 7.416 0.062 10.642 1.00 0.00 C ATOM 891 CD LYS A 55 7.225 0.643 12.055 1.00 0.00 C ATOM 892 CE LYS A 55 6.088 -0.043 12.825 1.00 0.00 C ATOM 893 NZ LYS A 55 4.751 0.331 12.310 1.00 0.00 N ATOM 0 H LYS A 55 10.996 1.501 9.342 1.00 0.00 H new ATOM 0 HA LYS A 55 9.909 -0.051 11.565 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.671 1.707 10.033 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.597 0.400 8.869 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.533 0.281 10.041 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.496 -1.023 10.707 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.154 0.538 12.616 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.016 1.710 11.980 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.210 -1.124 12.760 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.155 0.223 13.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.019 -0.196 12.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.601 1.352 12.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.692 0.100 11.298 1.00 0.00 H new ATOM 907 N ASN A 56 10.924 -1.473 8.779 1.00 0.00 N ATOM 908 CA ASN A 56 11.036 -2.661 7.908 1.00 0.00 C ATOM 909 C ASN A 56 9.903 -3.669 8.153 1.00 0.00 C ATOM 910 O ASN A 56 10.117 -4.801 8.579 1.00 0.00 O ATOM 911 CB ASN A 56 12.452 -3.286 7.982 1.00 0.00 C ATOM 912 CG ASN A 56 13.528 -2.602 7.149 1.00 0.00 C ATOM 913 OD1 ASN A 56 14.690 -2.556 7.515 1.00 0.00 O ATOM 914 ND2 ASN A 56 13.239 -2.101 5.967 1.00 0.00 N ATOM 0 H ASN A 56 11.421 -0.676 8.381 1.00 0.00 H new ATOM 0 HA ASN A 56 10.906 -2.331 6.877 1.00 0.00 H new ATOM 0 HB2 ASN A 56 12.773 -3.287 9.024 1.00 0.00 H new ATOM 0 HB3 ASN A 56 12.385 -4.328 7.668 1.00 0.00 H new ATOM 0 HD21 ASN A 56 13.976 -1.693 5.392 1.00 0.00 H new ATOM 0 HD22 ASN A 56 12.278 -2.121 5.626 1.00 0.00 H new ATOM 921 N VAL A 57 8.671 -3.228 7.898 1.00 0.00 N ATOM 922 CA VAL A 57 7.474 -4.020 8.187 1.00 0.00 C ATOM 923 C VAL A 57 7.278 -5.061 7.100 1.00 0.00 C ATOM 924 O VAL A 57 7.188 -4.727 5.922 1.00 0.00 O ATOM 925 CB VAL A 57 6.251 -3.117 8.462 1.00 0.00 C ATOM 926 CG1 VAL A 57 5.109 -3.200 7.450 1.00 0.00 C ATOM 927 CG2 VAL A 57 5.718 -3.428 9.865 1.00 0.00 C ATOM 0 H VAL A 57 8.474 -2.315 7.487 1.00 0.00 H new ATOM 0 HA VAL A 57 7.604 -4.575 9.116 1.00 0.00 H new ATOM 0 HB VAL A 57 6.619 -2.095 8.371 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.309 -2.523 7.748 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.476 -2.916 6.464 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.727 -4.220 7.415 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.854 -2.798 10.074 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.424 -4.476 9.918 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.497 -3.232 10.602 1.00 0.00 H new ATOM 937 N LEU A 58 7.281 -6.334 7.485 1.00 0.00 N ATOM 938 CA LEU A 58 6.945 -7.428 6.579 1.00 0.00 C ATOM 939 C LEU A 58 5.467 -7.317 6.182 1.00 0.00 C ATOM 940 O LEU A 58 4.576 -7.469 7.014 1.00 0.00 O ATOM 941 CB LEU A 58 7.336 -8.776 7.207 1.00 0.00 C ATOM 942 CG LEU A 58 7.396 -9.925 6.177 1.00 0.00 C ATOM 943 CD1 LEU A 58 8.354 -11.008 6.676 1.00 0.00 C ATOM 944 CD2 LEU A 58 6.033 -10.575 5.932 1.00 0.00 C ATOM 0 H LEU A 58 7.516 -6.636 8.431 1.00 0.00 H new ATOM 0 HA LEU A 58 7.519 -7.362 5.655 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.308 -8.677 7.690 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.617 -9.030 7.986 1.00 0.00 H new ATOM 0 HG LEU A 58 7.738 -9.487 5.239 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.397 -11.819 5.949 1.00 0.00 H new ATOM 0 HD12 LEU A 58 9.349 -10.583 6.804 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.000 -11.395 7.631 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.138 -11.375 5.199 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.653 -10.987 6.867 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.336 -9.827 5.555 1.00 0.00 H new ATOM 956 N TRP A 59 5.212 -6.964 4.929 1.00 0.00 N ATOM 957 CA TRP A 59 3.867 -6.760 4.394 1.00 0.00 C ATOM 958 C TRP A 59 3.050 -8.063 4.291 1.00 0.00 C ATOM 959 O TRP A 59 2.992 -8.701 3.240 1.00 0.00 O ATOM 960 CB TRP A 59 3.946 -6.030 3.047 1.00 0.00 C ATOM 961 CG TRP A 59 4.453 -4.619 3.088 1.00 0.00 C ATOM 962 CD1 TRP A 59 5.484 -4.120 2.363 1.00 0.00 C ATOM 963 CD2 TRP A 59 3.950 -3.506 3.883 1.00 0.00 C ATOM 964 NE1 TRP A 59 5.638 -2.773 2.649 1.00 0.00 N ATOM 965 CE2 TRP A 59 4.745 -2.358 3.607 1.00 0.00 C ATOM 966 CE3 TRP A 59 2.906 -3.350 4.818 1.00 0.00 C ATOM 967 CZ2 TRP A 59 4.552 -1.126 4.244 1.00 0.00 C ATOM 968 CZ3 TRP A 59 2.676 -2.114 5.448 1.00 0.00 C ATOM 969 CH2 TRP A 59 3.502 -1.003 5.173 1.00 0.00 C ATOM 0 H TRP A 59 5.948 -6.808 4.240 1.00 0.00 H new ATOM 0 HA TRP A 59 3.325 -6.135 5.104 1.00 0.00 H new ATOM 0 HB2 TRP A 59 4.589 -6.606 2.382 1.00 0.00 H new ATOM 0 HB3 TRP A 59 2.951 -6.024 2.602 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.091 -4.684 1.670 1.00 0.00 H new ATOM 0 HE1 TRP A 59 6.327 -2.166 2.205 1.00 0.00 H new ATOM 0 HE3 TRP A 59 2.273 -4.193 5.054 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 5.196 -0.287 4.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.860 -2.014 6.148 1.00 0.00 H new ATOM 0 HH2 TRP A 59 3.329 -0.062 5.674 1.00 0.00 H new ATOM 980 N ASP A 60 2.384 -8.416 5.386 1.00 0.00 N ATOM 981 CA ASP A 60 1.248 -9.342 5.400 1.00 0.00 C ATOM 982 C ASP A 60 -0.053 -8.613 5.015 1.00 0.00 C ATOM 983 O ASP A 60 -0.161 -7.388 5.163 1.00 0.00 O ATOM 984 CB ASP A 60 0.987 -9.899 6.809 1.00 0.00 C ATOM 985 CG ASP A 60 2.196 -10.303 7.648 1.00 0.00 C ATOM 986 OD1 ASP A 60 2.932 -11.212 7.219 1.00 0.00 O ATOM 987 OD2 ASP A 60 2.301 -9.738 8.767 1.00 0.00 O ATOM 0 H ASP A 60 2.622 -8.060 6.312 1.00 0.00 H new ATOM 0 HA ASP A 60 1.504 -10.136 4.698 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.427 -9.149 7.368 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.341 -10.771 6.710 1.00 0.00 H new ATOM 992 N GLU A 61 -1.101 -9.375 4.693 1.00 0.00 N ATOM 993 CA GLU A 61 -2.491 -8.902 4.627 1.00 0.00 C ATOM 994 C GLU A 61 -2.909 -8.128 5.893 1.00 0.00 C ATOM 995 O GLU A 61 -3.409 -7.006 5.783 1.00 0.00 O ATOM 996 CB GLU A 61 -3.465 -10.067 4.355 1.00 0.00 C ATOM 997 CG GLU A 61 -3.412 -10.641 2.926 1.00 0.00 C ATOM 998 CD GLU A 61 -2.446 -11.831 2.766 1.00 0.00 C ATOM 999 OE1 GLU A 61 -1.264 -11.668 3.127 1.00 0.00 O ATOM 1000 OE2 GLU A 61 -2.900 -12.874 2.232 1.00 0.00 O ATOM 0 H GLU A 61 -1.007 -10.365 4.464 1.00 0.00 H new ATOM 0 HA GLU A 61 -2.543 -8.205 3.791 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -3.253 -10.870 5.061 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -4.481 -9.726 4.556 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -4.414 -10.957 2.635 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -3.115 -9.850 2.238 1.00 0.00 H new ATOM 1007 N ASN A 62 -2.667 -8.671 7.095 1.00 0.00 N ATOM 1008 CA ASN A 62 -2.906 -7.979 8.367 1.00 0.00 C ATOM 1009 C ASN A 62 -2.060 -6.705 8.526 1.00 0.00 C ATOM 1010 O ASN A 62 -2.582 -5.654 8.894 1.00 0.00 O ATOM 1011 CB ASN A 62 -2.670 -8.959 9.534 1.00 0.00 C ATOM 1012 CG ASN A 62 -1.369 -9.732 9.436 1.00 0.00 C ATOM 1013 OD1 ASN A 62 -1.336 -10.774 8.813 1.00 0.00 O ATOM 1014 ND2 ASN A 62 -0.274 -9.231 9.962 1.00 0.00 N ATOM 0 H ASN A 62 -2.296 -9.614 7.211 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.944 -7.645 8.375 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.680 -8.402 10.471 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.499 -9.666 9.575 1.00 0.00 H new ATOM 0 HD21 ASN A 62 0.615 -9.718 9.849 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.313 -8.355 10.483 1.00 0.00 H new ATOM 1021 N ASN A 63 -0.761 -6.783 8.250 1.00 0.00 N ATOM 1022 CA ASN A 63 0.210 -5.711 8.465 1.00 0.00 C ATOM 1023 C ASN A 63 -0.077 -4.479 7.589 1.00 0.00 C ATOM 1024 O ASN A 63 -0.163 -3.342 8.060 1.00 0.00 O ATOM 1025 CB ASN A 63 1.594 -6.311 8.183 1.00 0.00 C ATOM 1026 CG ASN A 63 2.665 -5.636 8.995 1.00 0.00 C ATOM 1027 OD1 ASN A 63 2.728 -4.427 9.104 1.00 0.00 O ATOM 1028 ND2 ASN A 63 3.536 -6.408 9.590 1.00 0.00 N ATOM 0 H ASN A 63 -0.339 -7.624 7.856 1.00 0.00 H new ATOM 0 HA ASN A 63 0.152 -5.343 9.489 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.582 -7.377 8.410 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.825 -6.213 7.122 1.00 0.00 H new ATOM 0 HD21 ASN A 63 4.280 -5.997 10.154 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.472 -7.421 9.490 1.00 0.00 H new ATOM 1035 N MET A 64 -0.339 -4.719 6.302 1.00 0.00 N ATOM 1036 CA MET A 64 -0.809 -3.678 5.395 1.00 0.00 C ATOM 1037 C MET A 64 -2.197 -3.156 5.799 1.00 0.00 C ATOM 1038 O MET A 64 -2.424 -1.953 5.742 1.00 0.00 O ATOM 1039 CB MET A 64 -0.772 -4.202 3.958 1.00 0.00 C ATOM 1040 CG MET A 64 -1.034 -3.085 2.940 1.00 0.00 C ATOM 1041 SD MET A 64 -1.117 -3.613 1.209 1.00 0.00 S ATOM 1042 CE MET A 64 0.532 -4.342 1.010 1.00 0.00 C ATOM 0 H MET A 64 -0.231 -5.634 5.865 1.00 0.00 H new ATOM 0 HA MET A 64 -0.142 -2.819 5.460 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.200 -4.654 3.760 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.519 -4.987 3.837 1.00 0.00 H new ATOM 0 HG2 MET A 64 -1.973 -2.595 3.198 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.247 -2.337 3.036 1.00 0.00 H new ATOM 0 HE1 MET A 64 0.683 -4.620 -0.033 1.00 0.00 H new ATOM 0 HE2 MET A 64 1.289 -3.616 1.305 1.00 0.00 H new ATOM 0 HE3 MET A 64 0.616 -5.229 1.638 1.00 0.00 H new ATOM 1052 N SER A 65 -3.109 -4.010 6.277 1.00 0.00 N ATOM 1053 CA SER A 65 -4.419 -3.548 6.771 1.00 0.00 C ATOM 1054 C SER A 65 -4.303 -2.597 7.961 1.00 0.00 C ATOM 1055 O SER A 65 -5.058 -1.623 8.038 1.00 0.00 O ATOM 1056 CB SER A 65 -5.315 -4.709 7.210 1.00 0.00 C ATOM 1057 OG SER A 65 -5.576 -5.574 6.141 1.00 0.00 O ATOM 0 H SER A 65 -2.969 -5.019 6.334 1.00 0.00 H new ATOM 0 HA SER A 65 -4.860 -3.026 5.922 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.833 -5.259 8.018 1.00 0.00 H new ATOM 0 HB3 SER A 65 -6.253 -4.320 7.605 1.00 0.00 H new ATOM 0 HG SER A 65 -4.890 -6.273 6.111 1.00 0.00 H new ATOM 1063 N GLU A 66 -3.372 -2.849 8.878 1.00 0.00 N ATOM 1064 CA GLU A 66 -3.055 -1.957 9.997 1.00 0.00 C ATOM 1065 C GLU A 66 -2.585 -0.585 9.477 1.00 0.00 C ATOM 1066 O GLU A 66 -3.244 0.432 9.713 1.00 0.00 O ATOM 1067 CB GLU A 66 -2.021 -2.645 10.906 1.00 0.00 C ATOM 1068 CG GLU A 66 -1.812 -1.871 12.212 1.00 0.00 C ATOM 1069 CD GLU A 66 -0.779 -2.504 13.159 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -0.022 -3.416 12.743 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -0.684 -1.982 14.293 1.00 0.00 O ATOM 0 H GLU A 66 -2.804 -3.696 8.866 1.00 0.00 H new ATOM 0 HA GLU A 66 -3.946 -1.764 10.595 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.352 -3.658 11.132 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.072 -2.731 10.378 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.496 -0.856 11.973 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.767 -1.793 12.733 1.00 0.00 H new ATOM 1078 N TYR A 67 -1.510 -0.577 8.678 1.00 0.00 N ATOM 1079 CA TYR A 67 -0.960 0.610 8.009 1.00 0.00 C ATOM 1080 C TYR A 67 -2.029 1.399 7.241 1.00 0.00 C ATOM 1081 O TYR A 67 -2.159 2.606 7.417 1.00 0.00 O ATOM 1082 CB TYR A 67 0.189 0.178 7.082 1.00 0.00 C ATOM 1083 CG TYR A 67 0.903 1.291 6.329 1.00 0.00 C ATOM 1084 CD1 TYR A 67 1.527 2.323 7.047 1.00 0.00 C ATOM 1085 CD2 TYR A 67 1.005 1.268 4.923 1.00 0.00 C ATOM 1086 CE1 TYR A 67 2.260 3.326 6.385 1.00 0.00 C ATOM 1087 CE2 TYR A 67 1.748 2.261 4.250 1.00 0.00 C ATOM 1088 CZ TYR A 67 2.384 3.290 4.980 1.00 0.00 C ATOM 1089 OH TYR A 67 3.120 4.243 4.344 1.00 0.00 O ATOM 0 H TYR A 67 -0.981 -1.425 8.472 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.578 1.287 8.773 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.926 -0.359 7.679 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.207 -0.529 6.353 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.444 2.348 8.123 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.513 0.489 4.360 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.726 4.120 6.950 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.831 2.234 3.174 1.00 0.00 H new ATOM 0 HH TYR A 67 2.683 4.485 3.501 1.00 0.00 H new ATOM 1099 N LEU A 68 -2.853 0.736 6.427 1.00 0.00 N ATOM 1100 CA LEU A 68 -3.933 1.382 5.676 1.00 0.00 C ATOM 1101 C LEU A 68 -5.063 1.929 6.564 1.00 0.00 C ATOM 1102 O LEU A 68 -5.856 2.737 6.080 1.00 0.00 O ATOM 1103 CB LEU A 68 -4.493 0.415 4.618 1.00 0.00 C ATOM 1104 CG LEU A 68 -3.511 0.037 3.497 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -4.197 -0.940 2.544 1.00 0.00 C ATOM 1106 CD2 LEU A 68 -2.999 1.234 2.694 1.00 0.00 C ATOM 0 H LEU A 68 -2.790 -0.270 6.269 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.493 2.250 5.186 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.819 -0.497 5.118 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.378 0.865 4.168 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.643 -0.411 3.981 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.508 -1.214 1.745 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.492 -1.835 3.091 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.081 -0.469 2.115 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.312 0.887 1.922 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.841 1.746 2.227 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.479 1.923 3.360 1.00 0.00 H new ATOM 1118 N THR A 69 -5.170 1.519 7.831 1.00 0.00 N ATOM 1119 CA THR A 69 -6.091 2.123 8.809 1.00 0.00 C ATOM 1120 C THR A 69 -5.643 3.525 9.234 1.00 0.00 C ATOM 1121 O THR A 69 -6.464 4.441 9.247 1.00 0.00 O ATOM 1122 CB THR A 69 -6.309 1.229 10.032 1.00 0.00 C ATOM 1123 OG1 THR A 69 -6.651 -0.079 9.627 1.00 0.00 O ATOM 1124 CG2 THR A 69 -7.466 1.703 10.915 1.00 0.00 C ATOM 0 H THR A 69 -4.617 0.752 8.214 1.00 0.00 H new ATOM 0 HA THR A 69 -7.049 2.221 8.299 1.00 0.00 H new ATOM 0 HB THR A 69 -5.373 1.265 10.589 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.898 -0.479 9.143 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.573 1.031 11.766 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.261 2.712 11.273 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.389 1.704 10.335 1.00 0.00 H new ATOM 1132 N ASN A 70 -4.360 3.710 9.574 1.00 0.00 N ATOM 1133 CA ASN A 70 -3.741 5.011 9.879 1.00 0.00 C ATOM 1134 C ASN A 70 -2.217 4.993 9.589 1.00 0.00 C ATOM 1135 O ASN A 70 -1.416 4.696 10.487 1.00 0.00 O ATOM 1136 CB ASN A 70 -4.045 5.412 11.338 1.00 0.00 C ATOM 1137 CG ASN A 70 -3.700 6.871 11.621 1.00 0.00 C ATOM 1138 OD1 ASN A 70 -2.678 7.409 11.220 1.00 0.00 O ATOM 1139 ND2 ASN A 70 -4.547 7.572 12.338 1.00 0.00 N ATOM 0 H ASN A 70 -3.702 2.934 9.647 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.175 5.766 9.224 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.102 5.244 11.546 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -3.481 4.770 12.014 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -4.347 8.549 12.552 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.405 7.140 12.681 1.00 0.00 H new ATOM 1146 N PRO A 71 -1.777 5.329 8.361 1.00 0.00 N ATOM 1147 CA PRO A 71 -0.383 5.129 7.962 1.00 0.00 C ATOM 1148 C PRO A 71 0.552 6.066 8.723 1.00 0.00 C ATOM 1149 O PRO A 71 1.639 5.678 9.147 1.00 0.00 O ATOM 1150 CB PRO A 71 -0.357 5.383 6.449 1.00 0.00 C ATOM 1151 CG PRO A 71 -1.532 6.335 6.232 1.00 0.00 C ATOM 1152 CD PRO A 71 -2.561 5.845 7.249 1.00 0.00 C ATOM 0 HA PRO A 71 -0.029 4.125 8.198 1.00 0.00 H new ATOM 0 HB2 PRO A 71 0.586 5.829 6.132 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -0.478 4.459 5.884 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.250 7.372 6.411 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.914 6.280 5.213 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.215 6.656 7.570 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.199 5.070 6.823 1.00 0.00 H new ATOM 1160 N LYS A 72 0.087 7.299 8.941 1.00 0.00 N ATOM 1161 CA LYS A 72 0.794 8.415 9.565 1.00 0.00 C ATOM 1162 C LYS A 72 1.093 8.185 11.048 1.00 0.00 C ATOM 1163 O LYS A 72 2.151 8.583 11.520 1.00 0.00 O ATOM 1164 CB LYS A 72 -0.056 9.668 9.319 1.00 0.00 C ATOM 1165 CG LYS A 72 0.711 10.981 9.532 1.00 0.00 C ATOM 1166 CD LYS A 72 -0.123 12.166 9.022 1.00 0.00 C ATOM 1167 CE LYS A 72 -0.122 12.220 7.485 1.00 0.00 C ATOM 1168 NZ LYS A 72 -1.418 12.684 6.941 1.00 0.00 N ATOM 0 H LYS A 72 -0.860 7.559 8.666 1.00 0.00 H new ATOM 0 HA LYS A 72 1.781 8.529 9.118 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.440 9.642 8.299 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.919 9.648 9.985 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.936 11.113 10.590 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.665 10.944 9.006 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.147 12.078 9.386 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.279 13.097 9.422 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.671 12.887 7.147 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.103 11.230 7.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.277 13.058 5.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.086 11.887 6.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.803 13.433 7.552 1.00 0.00 H new ATOM 1182 N LYS A 73 0.189 7.511 11.770 1.00 0.00 N ATOM 1183 CA LYS A 73 0.447 7.001 13.126 1.00 0.00 C ATOM 1184 C LYS A 73 1.397 5.805 13.115 1.00 0.00 C ATOM 1185 O LYS A 73 2.224 5.688 14.015 1.00 0.00 O ATOM 1186 CB LYS A 73 -0.883 6.665 13.834 1.00 0.00 C ATOM 1187 CG LYS A 73 -0.700 6.284 15.317 1.00 0.00 C ATOM 1188 CD LYS A 73 -0.513 4.772 15.564 1.00 0.00 C ATOM 1189 CE LYS A 73 0.325 4.494 16.822 1.00 0.00 C ATOM 1190 NZ LYS A 73 -0.366 4.923 18.065 1.00 0.00 N ATOM 0 H LYS A 73 -0.749 7.302 11.429 1.00 0.00 H new ATOM 0 HA LYS A 73 0.946 7.788 13.691 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.551 7.524 13.766 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.368 5.841 13.311 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.166 6.815 15.713 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.569 6.628 15.879 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -1.489 4.298 15.666 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -0.028 4.320 14.698 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.546 3.428 16.881 1.00 0.00 H new ATOM 0 HE3 LYS A 73 1.280 5.013 16.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.237 4.716 18.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.554 5.945 18.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -1.265 4.409 18.157 1.00 0.00 H new ATOM 1204 N TYR A 74 1.244 4.874 12.172 1.00 0.00 N ATOM 1205 CA TYR A 74 2.025 3.630 12.150 1.00 0.00 C ATOM 1206 C TYR A 74 3.501 3.848 11.802 1.00 0.00 C ATOM 1207 O TYR A 74 4.369 3.100 12.262 1.00 0.00 O ATOM 1208 CB TYR A 74 1.392 2.666 11.140 1.00 0.00 C ATOM 1209 CG TYR A 74 1.766 1.207 11.334 1.00 0.00 C ATOM 1210 CD1 TYR A 74 1.517 0.596 12.578 1.00 0.00 C ATOM 1211 CD2 TYR A 74 2.299 0.436 10.278 1.00 0.00 C ATOM 1212 CE1 TYR A 74 1.789 -0.767 12.765 1.00 0.00 C ATOM 1213 CE2 TYR A 74 2.519 -0.948 10.449 1.00 0.00 C ATOM 1214 CZ TYR A 74 2.237 -1.557 11.688 1.00 0.00 C ATOM 1215 OH TYR A 74 2.399 -2.886 11.865 1.00 0.00 O ATOM 0 H TYR A 74 0.579 4.958 11.403 1.00 0.00 H new ATOM 0 HA TYR A 74 2.003 3.213 13.157 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.308 2.760 11.199 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.684 2.971 10.135 1.00 0.00 H new ATOM 0 HD1 TYR A 74 1.114 1.180 13.392 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.539 0.907 9.336 1.00 0.00 H new ATOM 0 HE1 TYR A 74 1.654 -1.213 13.739 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.903 -1.539 9.631 1.00 0.00 H new ATOM 0 HH TYR A 74 1.571 -3.272 12.219 1.00 0.00 H new ATOM 1225 N ILE A 75 3.763 4.854 10.973 1.00 0.00 N ATOM 1226 CA ILE A 75 5.085 5.282 10.522 1.00 0.00 C ATOM 1227 C ILE A 75 5.134 6.823 10.626 1.00 0.00 C ATOM 1228 O ILE A 75 4.898 7.511 9.631 1.00 0.00 O ATOM 1229 CB ILE A 75 5.381 4.720 9.106 1.00 0.00 C ATOM 1230 CG1 ILE A 75 5.194 3.182 9.030 1.00 0.00 C ATOM 1231 CG2 ILE A 75 6.820 5.086 8.711 1.00 0.00 C ATOM 1232 CD1 ILE A 75 5.540 2.545 7.676 1.00 0.00 C ATOM 0 H ILE A 75 3.017 5.425 10.575 1.00 0.00 H new ATOM 0 HA ILE A 75 5.882 4.882 11.149 1.00 0.00 H new ATOM 0 HB ILE A 75 4.667 5.167 8.414 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.812 2.719 9.799 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.157 2.946 9.269 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.035 4.694 7.717 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.931 6.170 8.706 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.516 4.653 9.430 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.376 1.469 7.728 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.905 2.972 6.900 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.585 2.741 7.438 1.00 0.00 H new ATOM 1244 N PRO A 76 5.387 7.389 11.822 1.00 0.00 N ATOM 1245 CA PRO A 76 5.408 8.837 12.035 1.00 0.00 C ATOM 1246 C PRO A 76 6.572 9.471 11.265 1.00 0.00 C ATOM 1247 O PRO A 76 7.733 9.265 11.610 1.00 0.00 O ATOM 1248 CB PRO A 76 5.495 9.033 13.552 1.00 0.00 C ATOM 1249 CG PRO A 76 6.180 7.758 14.042 1.00 0.00 C ATOM 1250 CD PRO A 76 5.682 6.692 13.069 1.00 0.00 C ATOM 0 HA PRO A 76 4.516 9.335 11.654 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.072 9.922 13.809 1.00 0.00 H new ATOM 0 HB3 PRO A 76 4.508 9.154 13.998 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.266 7.850 14.016 1.00 0.00 H new ATOM 0 HG3 PRO A 76 5.904 7.524 15.070 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.437 5.921 12.915 1.00 0.00 H new ATOM 0 HD3 PRO A 76 4.793 6.195 13.457 1.00 0.00 H new ATOM 1258 N GLY A 77 6.268 10.196 10.185 1.00 0.00 N ATOM 1259 CA GLY A 77 7.267 10.733 9.248 1.00 0.00 C ATOM 1260 C GLY A 77 7.318 10.029 7.886 1.00 0.00 C ATOM 1261 O GLY A 77 8.098 10.441 7.033 1.00 0.00 O ATOM 0 H GLY A 77 5.309 10.431 9.931 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.061 11.791 9.086 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.251 10.667 9.712 1.00 0.00 H new ATOM 1265 N THR A 78 6.482 9.007 7.652 1.00 0.00 N ATOM 1266 CA THR A 78 6.277 8.409 6.317 1.00 0.00 C ATOM 1267 C THR A 78 5.982 9.462 5.251 1.00 0.00 C ATOM 1268 O THR A 78 5.204 10.390 5.481 1.00 0.00 O ATOM 1269 CB THR A 78 5.143 7.361 6.320 1.00 0.00 C ATOM 1270 OG1 THR A 78 5.008 6.758 5.047 1.00 0.00 O ATOM 1271 CG2 THR A 78 3.748 7.888 6.681 1.00 0.00 C ATOM 0 H THR A 78 5.925 8.567 8.384 1.00 0.00 H new ATOM 0 HA THR A 78 7.216 7.914 6.070 1.00 0.00 H new ATOM 0 HB THR A 78 5.458 6.665 7.098 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.374 6.012 5.104 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.031 7.068 6.652 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.769 8.317 7.683 1.00 0.00 H new ATOM 0 HG23 THR A 78 3.452 8.655 5.965 1.00 0.00 H new ATOM 1279 N LYS A 79 6.493 9.252 4.033 1.00 0.00 N ATOM 1280 CA LYS A 79 6.111 10.032 2.845 1.00 0.00 C ATOM 1281 C LYS A 79 4.633 9.824 2.464 1.00 0.00 C ATOM 1282 O LYS A 79 4.086 10.619 1.704 1.00 0.00 O ATOM 1283 CB LYS A 79 7.041 9.657 1.678 1.00 0.00 C ATOM 1284 CG LYS A 79 7.379 10.785 0.679 1.00 0.00 C ATOM 1285 CD LYS A 79 7.711 10.177 -0.697 1.00 0.00 C ATOM 1286 CE LYS A 79 8.634 10.981 -1.608 1.00 0.00 C ATOM 1287 NZ LYS A 79 8.940 10.181 -2.824 1.00 0.00 N ATOM 0 H LYS A 79 7.189 8.531 3.840 1.00 0.00 H new ATOM 0 HA LYS A 79 6.222 11.091 3.076 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.975 9.278 2.094 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.582 8.837 1.125 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.536 11.470 0.591 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.226 11.366 1.044 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.164 9.199 -0.534 1.00 0.00 H new ATOM 0 HD3 LYS A 79 6.774 10.010 -1.228 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.160 11.922 -1.887 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.555 11.232 -1.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.425 10.781 -3.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.554 9.382 -2.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 8.055 9.820 -3.234 1.00 0.00 H new ATOM 1301 N MET A 80 3.951 8.794 2.991 1.00 0.00 N ATOM 1302 CA MET A 80 2.515 8.559 2.828 1.00 0.00 C ATOM 1303 C MET A 80 1.670 9.557 3.641 1.00 0.00 C ATOM 1304 O MET A 80 1.003 9.218 4.623 1.00 0.00 O ATOM 1305 CB MET A 80 2.200 7.088 3.141 1.00 0.00 C ATOM 1306 CG MET A 80 0.743 6.741 2.814 1.00 0.00 C ATOM 1307 SD MET A 80 0.437 5.061 2.175 1.00 0.00 S ATOM 1308 CE MET A 80 -1.339 4.922 2.478 1.00 0.00 C ATOM 0 H MET A 80 4.404 8.080 3.561 1.00 0.00 H new ATOM 0 HA MET A 80 2.236 8.742 1.790 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.866 6.443 2.568 1.00 0.00 H new ATOM 0 HB3 MET A 80 2.394 6.890 4.195 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.148 6.877 3.717 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.377 7.458 2.080 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.723 4.028 1.986 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.521 4.853 3.550 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.846 5.801 2.080 1.00 0.00 H new ATOM 1318 N ALA A 81 1.640 10.800 3.157 1.00 0.00 N ATOM 1319 CA ALA A 81 0.892 11.941 3.693 1.00 0.00 C ATOM 1320 C ALA A 81 -0.645 11.781 3.737 1.00 0.00 C ATOM 1321 O ALA A 81 -1.354 12.673 4.198 1.00 0.00 O ATOM 1322 CB ALA A 81 1.308 13.192 2.906 1.00 0.00 C ATOM 0 H ALA A 81 2.173 11.054 2.325 1.00 0.00 H new ATOM 0 HA ALA A 81 1.156 12.024 4.747 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.765 14.058 3.285 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.379 13.356 3.023 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.075 13.052 1.850 1.00 0.00 H new ATOM 1328 N PHE A 82 -1.143 10.621 3.329 1.00 0.00 N ATOM 1329 CA PHE A 82 -2.529 10.152 3.332 1.00 0.00 C ATOM 1330 C PHE A 82 -3.208 10.174 4.727 1.00 0.00 C ATOM 1331 O PHE A 82 -2.585 10.424 5.766 1.00 0.00 O ATOM 1332 CB PHE A 82 -2.509 8.743 2.701 1.00 0.00 C ATOM 1333 CG PHE A 82 -3.857 8.100 2.435 1.00 0.00 C ATOM 1334 CD1 PHE A 82 -4.757 8.680 1.520 1.00 0.00 C ATOM 1335 CD2 PHE A 82 -4.209 6.902 3.084 1.00 0.00 C ATOM 1336 CE1 PHE A 82 -5.996 8.066 1.264 1.00 0.00 C ATOM 1337 CE2 PHE A 82 -5.443 6.283 2.822 1.00 0.00 C ATOM 1338 CZ PHE A 82 -6.337 6.864 1.912 1.00 0.00 C ATOM 0 H PHE A 82 -0.522 9.908 2.947 1.00 0.00 H new ATOM 0 HA PHE A 82 -3.148 10.837 2.753 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.966 8.800 1.757 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.940 8.084 3.357 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.495 9.598 1.014 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.525 6.454 3.790 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.688 8.518 0.568 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.702 5.361 3.321 1.00 0.00 H new ATOM 0 HZ PHE A 82 -7.286 6.390 1.708 1.00 0.00 H new ATOM 1348 N GLY A 83 -4.523 9.934 4.747 1.00 0.00 N ATOM 1349 CA GLY A 83 -5.351 9.941 5.960 1.00 0.00 C ATOM 1350 C GLY A 83 -5.465 8.572 6.635 1.00 0.00 C ATOM 1351 O GLY A 83 -5.276 8.478 7.846 1.00 0.00 O ATOM 0 H GLY A 83 -5.054 9.725 3.902 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.932 10.653 6.671 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -6.350 10.295 5.705 1.00 0.00 H new ATOM 1355 N GLY A 84 -5.753 7.525 5.856 1.00 0.00 N ATOM 1356 CA GLY A 84 -6.054 6.174 6.345 1.00 0.00 C ATOM 1357 C GLY A 84 -7.524 5.813 6.116 1.00 0.00 C ATOM 1358 O GLY A 84 -8.429 6.565 6.489 1.00 0.00 O ATOM 0 H GLY A 84 -5.784 7.595 4.839 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -5.416 5.451 5.837 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -5.823 6.110 7.408 1.00 0.00 H new ATOM 1362 N LEU A 85 -7.790 4.665 5.497 1.00 0.00 N ATOM 1363 CA LEU A 85 -9.132 4.159 5.213 1.00 0.00 C ATOM 1364 C LEU A 85 -9.717 3.477 6.452 1.00 0.00 C ATOM 1365 O LEU A 85 -9.798 2.257 6.519 1.00 0.00 O ATOM 1366 CB LEU A 85 -9.084 3.172 4.030 1.00 0.00 C ATOM 1367 CG LEU A 85 -8.821 3.802 2.660 1.00 0.00 C ATOM 1368 CD1 LEU A 85 -8.758 2.688 1.621 1.00 0.00 C ATOM 1369 CD2 LEU A 85 -9.924 4.778 2.247 1.00 0.00 C ATOM 0 H LEU A 85 -7.054 4.040 5.168 1.00 0.00 H new ATOM 0 HA LEU A 85 -9.775 4.998 4.945 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.307 2.433 4.227 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -10.032 2.635 3.988 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.885 4.356 2.722 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -8.571 3.118 0.637 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.952 1.999 1.875 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.705 2.149 1.607 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.691 5.198 1.269 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.877 4.251 2.198 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -9.992 5.582 2.980 1.00 0.00 H new ATOM 1381 N LYS A 86 -10.216 4.271 7.404 1.00 0.00 N ATOM 1382 CA LYS A 86 -10.896 3.808 8.634 1.00 0.00 C ATOM 1383 C LYS A 86 -11.942 2.702 8.390 1.00 0.00 C ATOM 1384 O LYS A 86 -11.992 1.725 9.136 1.00 0.00 O ATOM 1385 CB LYS A 86 -11.539 5.014 9.342 1.00 0.00 C ATOM 1386 CG LYS A 86 -10.520 6.074 9.799 1.00 0.00 C ATOM 1387 CD LYS A 86 -11.245 7.311 10.348 1.00 0.00 C ATOM 1388 CE LYS A 86 -10.241 8.379 10.801 1.00 0.00 C ATOM 1389 NZ LYS A 86 -10.933 9.624 11.224 1.00 0.00 N ATOM 0 H LYS A 86 -10.160 5.288 7.345 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.134 3.354 9.268 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -12.258 5.480 8.668 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.097 4.661 10.209 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -9.869 5.655 10.567 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.883 6.360 8.962 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -11.900 7.724 9.581 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -11.879 7.023 11.187 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.644 7.993 11.627 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.552 8.602 9.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.229 10.328 11.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -11.483 10.003 10.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -11.572 9.414 12.017 1.00 0.00 H new ATOM 1403 N LYS A 87 -12.746 2.821 7.323 1.00 0.00 N ATOM 1404 CA LYS A 87 -13.741 1.828 6.880 1.00 0.00 C ATOM 1405 C LYS A 87 -13.111 0.455 6.604 1.00 0.00 C ATOM 1406 O LYS A 87 -12.442 0.256 5.594 1.00 0.00 O ATOM 1407 CB LYS A 87 -14.479 2.327 5.622 1.00 0.00 C ATOM 1408 CG LYS A 87 -15.663 3.264 5.916 1.00 0.00 C ATOM 1409 CD LYS A 87 -16.428 3.617 4.626 1.00 0.00 C ATOM 1410 CE LYS A 87 -17.216 2.415 4.070 1.00 0.00 C ATOM 1411 NZ LYS A 87 -17.505 2.560 2.624 1.00 0.00 N ATOM 0 H LYS A 87 -12.721 3.643 6.720 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.453 1.707 7.696 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -13.768 2.848 4.980 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.842 1.465 5.062 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.340 2.787 6.625 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -15.299 4.177 6.388 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -17.115 4.439 4.826 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -15.723 3.968 3.872 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -16.646 1.501 4.236 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -18.152 2.311 4.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -18.349 2.003 2.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -17.676 3.562 2.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -16.693 2.217 2.072 1.00 0.00 H new ATOM 1425 N GLU A 88 -13.419 -0.512 7.465 1.00 0.00 N ATOM 1426 CA GLU A 88 -13.144 -1.946 7.267 1.00 0.00 C ATOM 1427 C GLU A 88 -13.561 -2.438 5.865 1.00 0.00 C ATOM 1428 O GLU A 88 -12.777 -3.069 5.164 1.00 0.00 O ATOM 1429 CB GLU A 88 -13.867 -2.674 8.413 1.00 0.00 C ATOM 1430 CG GLU A 88 -13.826 -4.207 8.391 1.00 0.00 C ATOM 1431 CD GLU A 88 -15.171 -4.765 7.917 1.00 0.00 C ATOM 1432 OE1 GLU A 88 -15.506 -4.619 6.719 1.00 0.00 O ATOM 1433 OE2 GLU A 88 -15.970 -5.270 8.736 1.00 0.00 O ATOM 0 H GLU A 88 -13.883 -0.319 8.353 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.075 -2.155 7.301 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -13.437 -2.336 9.356 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -14.911 -2.362 8.409 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -13.029 -4.547 7.729 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -13.597 -4.586 9.387 1.00 0.00 H new ATOM 1440 N LYS A 89 -14.758 -2.044 5.417 1.00 0.00 N ATOM 1441 CA LYS A 89 -15.376 -2.394 4.131 1.00 0.00 C ATOM 1442 C LYS A 89 -14.527 -1.988 2.921 1.00 0.00 C ATOM 1443 O LYS A 89 -14.204 -2.824 2.084 1.00 0.00 O ATOM 1444 CB LYS A 89 -16.767 -1.747 4.059 1.00 0.00 C ATOM 1445 CG LYS A 89 -17.668 -1.949 5.286 1.00 0.00 C ATOM 1446 CD LYS A 89 -18.177 -3.393 5.436 1.00 0.00 C ATOM 1447 CE LYS A 89 -18.577 -3.694 6.890 1.00 0.00 C ATOM 1448 NZ LYS A 89 -18.188 -5.068 7.283 1.00 0.00 N ATOM 0 H LYS A 89 -15.358 -1.436 5.975 1.00 0.00 H new ATOM 0 HA LYS A 89 -15.457 -3.480 4.085 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -16.640 -0.676 3.899 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -17.284 -2.141 3.184 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -17.116 -1.671 6.184 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -18.522 -1.275 5.216 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -19.034 -3.549 4.781 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -17.401 -4.090 5.118 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -18.101 -2.975 7.556 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -19.654 -3.572 7.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -19.043 -5.644 7.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -17.605 -5.492 6.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -17.643 -5.035 8.168 1.00 0.00 H new ATOM 1462 N ASP A 90 -14.156 -0.706 2.880 1.00 0.00 N ATOM 1463 CA ASP A 90 -13.235 -0.116 1.904 1.00 0.00 C ATOM 1464 C ASP A 90 -11.949 -0.941 1.815 1.00 0.00 C ATOM 1465 O ASP A 90 -11.575 -1.382 0.729 1.00 0.00 O ATOM 1466 CB ASP A 90 -12.883 1.328 2.312 1.00 0.00 C ATOM 1467 CG ASP A 90 -13.713 2.410 1.622 1.00 0.00 C ATOM 1468 OD1 ASP A 90 -14.950 2.419 1.829 1.00 0.00 O ATOM 1469 OD2 ASP A 90 -13.117 3.286 0.957 1.00 0.00 O ATOM 0 H ASP A 90 -14.503 -0.022 3.553 1.00 0.00 H new ATOM 0 HA ASP A 90 -13.726 -0.111 0.931 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -13.008 1.427 3.390 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -11.829 1.505 2.096 1.00 0.00 H new ATOM 1474 N ARG A 91 -11.286 -1.166 2.961 1.00 0.00 N ATOM 1475 CA ARG A 91 -10.052 -1.956 3.009 1.00 0.00 C ATOM 1476 C ARG A 91 -10.266 -3.386 2.520 1.00 0.00 C ATOM 1477 O ARG A 91 -9.468 -3.830 1.708 1.00 0.00 O ATOM 1478 CB ARG A 91 -9.389 -1.907 4.398 1.00 0.00 C ATOM 1479 CG ARG A 91 -8.998 -0.467 4.769 1.00 0.00 C ATOM 1480 CD ARG A 91 -7.932 -0.357 5.869 1.00 0.00 C ATOM 1481 NE ARG A 91 -8.240 -1.082 7.114 1.00 0.00 N ATOM 1482 CZ ARG A 91 -9.228 -0.879 7.968 1.00 0.00 C ATOM 1483 NH1 ARG A 91 -10.210 -0.053 7.794 1.00 0.00 N ATOM 1484 NH2 ARG A 91 -9.223 -1.501 9.099 1.00 0.00 N ATOM 0 H ARG A 91 -11.588 -0.809 3.868 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.353 -1.492 2.313 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.073 -2.306 5.146 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -8.503 -2.542 4.405 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -8.632 0.038 3.875 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -9.892 0.066 5.093 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -6.986 -0.729 5.475 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -7.786 0.697 6.107 1.00 0.00 H new ATOM 0 HE ARG A 91 -7.604 -1.844 7.349 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -10.262 0.505 6.942 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -10.931 0.039 8.509 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -8.462 -2.141 9.326 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -9.980 -1.352 9.766 1.00 0.00 H new ATOM 1498 N ASN A 92 -11.326 -4.086 2.929 1.00 0.00 N ATOM 1499 CA ASN A 92 -11.583 -5.471 2.503 1.00 0.00 C ATOM 1500 C ASN A 92 -11.560 -5.660 0.972 1.00 0.00 C ATOM 1501 O ASN A 92 -10.842 -6.524 0.455 1.00 0.00 O ATOM 1502 CB ASN A 92 -12.902 -5.975 3.116 1.00 0.00 C ATOM 1503 CG ASN A 92 -12.697 -6.504 4.519 1.00 0.00 C ATOM 1504 OD1 ASN A 92 -11.861 -7.358 4.768 1.00 0.00 O ATOM 1505 ND2 ASN A 92 -13.465 -6.093 5.493 1.00 0.00 N ATOM 0 H ASN A 92 -12.032 -3.713 3.564 1.00 0.00 H new ATOM 0 HA ASN A 92 -10.759 -6.077 2.879 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -13.629 -5.163 3.135 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -13.319 -6.761 2.487 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -13.356 -6.485 6.428 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -14.173 -5.380 5.318 1.00 0.00 H new ATOM 1512 N ASP A 93 -12.332 -4.862 0.229 1.00 0.00 N ATOM 1513 CA ASP A 93 -12.297 -4.901 -1.240 1.00 0.00 C ATOM 1514 C ASP A 93 -10.918 -4.496 -1.792 1.00 0.00 C ATOM 1515 O ASP A 93 -10.368 -5.199 -2.641 1.00 0.00 O ATOM 1516 CB ASP A 93 -13.385 -3.995 -1.830 1.00 0.00 C ATOM 1517 CG ASP A 93 -14.787 -4.609 -1.806 1.00 0.00 C ATOM 1518 OD1 ASP A 93 -15.019 -5.681 -2.425 1.00 0.00 O ATOM 1519 OD2 ASP A 93 -15.719 -3.947 -1.295 1.00 0.00 O ATOM 0 H ASP A 93 -12.987 -4.183 0.616 1.00 0.00 H new ATOM 0 HA ASP A 93 -12.487 -5.932 -1.540 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -13.401 -3.056 -1.276 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -13.123 -3.753 -2.860 1.00 0.00 H new ATOM 1524 N LEU A 94 -10.344 -3.380 -1.323 1.00 0.00 N ATOM 1525 CA LEU A 94 -9.048 -2.855 -1.784 1.00 0.00 C ATOM 1526 C LEU A 94 -7.908 -3.870 -1.590 1.00 0.00 C ATOM 1527 O LEU A 94 -7.135 -4.109 -2.512 1.00 0.00 O ATOM 1528 CB LEU A 94 -8.767 -1.503 -1.096 1.00 0.00 C ATOM 1529 CG LEU A 94 -8.061 -0.456 -1.977 1.00 0.00 C ATOM 1530 CD1 LEU A 94 -7.975 0.859 -1.204 1.00 0.00 C ATOM 1531 CD2 LEU A 94 -6.659 -0.855 -2.424 1.00 0.00 C ATOM 0 H LEU A 94 -10.774 -2.805 -0.599 1.00 0.00 H new ATOM 0 HA LEU A 94 -9.100 -2.685 -2.859 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.713 -1.086 -0.750 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.155 -1.683 -0.212 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.659 -0.362 -2.884 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.477 1.610 -1.817 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.980 1.202 -0.956 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.407 0.705 -0.286 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.234 -0.062 -3.040 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.029 -1.012 -1.549 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.710 -1.777 -3.004 1.00 0.00 H new ATOM 1543 N ILE A 95 -7.849 -4.542 -0.438 1.00 0.00 N ATOM 1544 CA ILE A 95 -6.931 -5.655 -0.135 1.00 0.00 C ATOM 1545 C ILE A 95 -7.141 -6.813 -1.117 1.00 0.00 C ATOM 1546 O ILE A 95 -6.168 -7.387 -1.598 1.00 0.00 O ATOM 1547 CB ILE A 95 -7.109 -6.140 1.324 1.00 0.00 C ATOM 1548 CG1 ILE A 95 -6.690 -5.060 2.346 1.00 0.00 C ATOM 1549 CG2 ILE A 95 -6.296 -7.419 1.616 1.00 0.00 C ATOM 1550 CD1 ILE A 95 -7.388 -5.272 3.696 1.00 0.00 C ATOM 0 H ILE A 95 -8.463 -4.320 0.346 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.911 -5.289 -0.248 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.172 -6.354 1.431 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.609 -5.087 2.484 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.937 -4.072 1.957 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.453 -7.721 2.652 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.624 -8.218 0.951 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.237 -7.222 1.452 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -7.073 -4.497 4.394 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -8.468 -5.220 3.559 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -7.119 -6.250 4.095 1.00 0.00 H new ATOM 1562 N THR A 96 -8.393 -7.129 -1.465 1.00 0.00 N ATOM 1563 CA THR A 96 -8.702 -8.192 -2.441 1.00 0.00 C ATOM 1564 C THR A 96 -8.127 -7.868 -3.837 1.00 0.00 C ATOM 1565 O THR A 96 -7.702 -8.770 -4.554 1.00 0.00 O ATOM 1566 CB THR A 96 -10.217 -8.483 -2.496 1.00 0.00 C ATOM 1567 OG1 THR A 96 -10.760 -8.677 -1.199 1.00 0.00 O ATOM 1568 CG2 THR A 96 -10.540 -9.785 -3.232 1.00 0.00 C ATOM 0 H THR A 96 -9.217 -6.663 -1.085 1.00 0.00 H new ATOM 0 HA THR A 96 -8.211 -9.103 -2.099 1.00 0.00 H new ATOM 0 HB THR A 96 -10.638 -7.616 -3.004 1.00 0.00 H new ATOM 0 HG1 THR A 96 -10.835 -7.813 -0.743 1.00 0.00 H new ATOM 0 HG21 THR A 96 -11.619 -9.940 -3.241 1.00 0.00 H new ATOM 0 HG22 THR A 96 -10.174 -9.724 -4.257 1.00 0.00 H new ATOM 0 HG23 THR A 96 -10.058 -10.620 -2.723 1.00 0.00 H new ATOM 1576 N TYR A 97 -8.029 -6.588 -4.217 1.00 0.00 N ATOM 1577 CA TYR A 97 -7.292 -6.122 -5.401 1.00 0.00 C ATOM 1578 C TYR A 97 -5.766 -6.073 -5.226 1.00 0.00 C ATOM 1579 O TYR A 97 -5.041 -6.576 -6.075 1.00 0.00 O ATOM 1580 CB TYR A 97 -7.809 -4.738 -5.782 1.00 0.00 C ATOM 1581 CG TYR A 97 -7.094 -4.094 -6.950 1.00 0.00 C ATOM 1582 CD1 TYR A 97 -7.252 -4.604 -8.253 1.00 0.00 C ATOM 1583 CD2 TYR A 97 -6.265 -2.980 -6.730 1.00 0.00 C ATOM 1584 CE1 TYR A 97 -6.664 -3.944 -9.349 1.00 0.00 C ATOM 1585 CE2 TYR A 97 -5.651 -2.343 -7.819 1.00 0.00 C ATOM 1586 CZ TYR A 97 -5.894 -2.783 -9.135 1.00 0.00 C ATOM 1587 OH TYR A 97 -5.398 -2.081 -10.187 1.00 0.00 O ATOM 0 H TYR A 97 -8.470 -5.829 -3.698 1.00 0.00 H new ATOM 0 HA TYR A 97 -7.472 -6.854 -6.188 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -8.870 -4.815 -6.021 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -7.724 -4.082 -4.915 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -7.826 -5.505 -8.412 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.101 -2.616 -5.726 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -6.802 -4.326 -10.350 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -4.987 -1.509 -7.647 1.00 0.00 H new ATOM 0 HH TYR A 97 -4.892 -1.309 -9.856 1.00 0.00 H new ATOM 1597 N LEU A 98 -5.259 -5.487 -4.138 1.00 0.00 N ATOM 1598 CA LEU A 98 -3.829 -5.365 -3.859 1.00 0.00 C ATOM 1599 C LEU A 98 -3.130 -6.726 -3.736 1.00 0.00 C ATOM 1600 O LEU A 98 -2.005 -6.879 -4.199 1.00 0.00 O ATOM 1601 CB LEU A 98 -3.651 -4.492 -2.600 1.00 0.00 C ATOM 1602 CG LEU A 98 -2.954 -3.138 -2.821 1.00 0.00 C ATOM 1603 CD1 LEU A 98 -1.468 -3.309 -3.124 1.00 0.00 C ATOM 1604 CD2 LEU A 98 -3.600 -2.300 -3.922 1.00 0.00 C ATOM 0 H LEU A 98 -5.846 -5.076 -3.412 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.341 -4.881 -4.705 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.634 -4.308 -2.166 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.079 -5.059 -1.865 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.072 -2.601 -1.880 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.012 -2.330 -3.274 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.982 -3.812 -2.288 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.347 -3.907 -4.027 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.061 -1.359 -4.027 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.563 -2.846 -4.864 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.639 -2.096 -3.662 1.00 0.00 H new ATOM 1616 N LYS A 99 -3.822 -7.747 -3.220 1.00 0.00 N ATOM 1617 CA LYS A 99 -3.430 -9.152 -3.375 1.00 0.00 C ATOM 1618 C LYS A 99 -3.246 -9.521 -4.853 1.00 0.00 C ATOM 1619 O LYS A 99 -2.154 -9.895 -5.266 1.00 0.00 O ATOM 1620 CB LYS A 99 -4.452 -10.040 -2.644 1.00 0.00 C ATOM 1621 CG LYS A 99 -4.115 -11.522 -2.838 1.00 0.00 C ATOM 1622 CD LYS A 99 -4.799 -12.454 -1.832 1.00 0.00 C ATOM 1623 CE LYS A 99 -4.053 -12.506 -0.490 1.00 0.00 C ATOM 1624 NZ LYS A 99 -2.788 -13.278 -0.555 1.00 0.00 N ATOM 0 H LYS A 99 -4.677 -7.621 -2.678 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.456 -9.320 -2.916 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -4.457 -9.799 -1.581 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.454 -9.837 -3.022 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.401 -11.820 -3.847 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -3.035 -11.651 -2.762 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.822 -12.117 -1.664 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.859 -13.458 -2.252 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -3.834 -11.489 -0.163 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -4.704 -12.950 0.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -2.384 -13.363 0.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -2.979 -14.227 -0.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -2.113 -12.786 -1.175 1.00 0.00 H new ATOM 1638 N LYS A 100 -4.261 -9.286 -5.687 1.00 0.00 N ATOM 1639 CA LYS A 100 -4.249 -9.522 -7.147 1.00 0.00 C ATOM 1640 C LYS A 100 -3.192 -8.706 -7.919 1.00 0.00 C ATOM 1641 O LYS A 100 -2.870 -9.032 -9.061 1.00 0.00 O ATOM 1642 CB LYS A 100 -5.675 -9.322 -7.706 1.00 0.00 C ATOM 1643 CG LYS A 100 -6.136 -10.419 -8.689 1.00 0.00 C ATOM 1644 CD LYS A 100 -5.666 -10.251 -10.149 1.00 0.00 C ATOM 1645 CE LYS A 100 -4.825 -11.424 -10.681 1.00 0.00 C ATOM 1646 NZ LYS A 100 -3.528 -11.523 -9.986 1.00 0.00 N ATOM 0 H LYS A 100 -5.152 -8.912 -5.360 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.938 -10.555 -7.305 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.376 -9.281 -6.872 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.722 -8.357 -8.210 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -5.782 -11.382 -8.321 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.225 -10.455 -8.679 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.540 -10.127 -10.788 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -5.081 -9.335 -10.227 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.378 -12.355 -10.555 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -4.656 -11.296 -11.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -2.954 -12.270 -10.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -3.027 -10.614 -10.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -3.687 -11.755 -8.985 1.00 0.00 H new ATOM 1660 N ALA A 101 -2.614 -7.677 -7.303 1.00 0.00 N ATOM 1661 CA ALA A 101 -1.469 -6.922 -7.820 1.00 0.00 C ATOM 1662 C ALA A 101 -0.137 -7.680 -7.668 1.00 0.00 C ATOM 1663 O ALA A 101 0.853 -7.309 -8.296 1.00 0.00 O ATOM 1664 CB ALA A 101 -1.389 -5.564 -7.113 1.00 0.00 C ATOM 0 H ALA A 101 -2.939 -7.332 -6.400 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.628 -6.780 -8.889 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -0.537 -5.003 -7.498 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.306 -5.004 -7.297 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.267 -5.719 -6.041 1.00 0.00 H new ATOM 1670 N THR A 102 -0.113 -8.735 -6.847 1.00 0.00 N ATOM 1671 CA THR A 102 1.046 -9.600 -6.576 1.00 0.00 C ATOM 1672 C THR A 102 0.810 -11.049 -7.029 1.00 0.00 C ATOM 1673 O THR A 102 1.727 -11.643 -7.596 1.00 0.00 O ATOM 1674 CB THR A 102 1.388 -9.552 -5.078 1.00 0.00 C ATOM 1675 OG1 THR A 102 1.710 -8.213 -4.744 1.00 0.00 O ATOM 1676 CG2 THR A 102 2.574 -10.439 -4.701 1.00 0.00 C ATOM 0 H THR A 102 -0.941 -9.025 -6.327 1.00 0.00 H new ATOM 0 HA THR A 102 1.887 -9.221 -7.156 1.00 0.00 H new ATOM 0 HB THR A 102 0.521 -9.922 -4.531 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.225 -8.199 -3.910 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.762 -10.359 -3.630 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.348 -11.475 -4.953 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.459 -10.117 -5.250 1.00 0.00 H new ATOM 1684 N GLU A 103 -0.404 -11.590 -6.831 1.00 0.00 N ATOM 1685 CA GLU A 103 -0.786 -12.999 -7.113 1.00 0.00 C ATOM 1686 C GLU A 103 -2.033 -13.119 -8.006 1.00 0.00 C ATOM 1687 O GLU A 103 -1.855 -13.426 -9.206 1.00 0.00 O ATOM 1688 CB GLU A 103 -0.857 -13.815 -5.796 1.00 0.00 C ATOM 1689 CG GLU A 103 -2.036 -13.470 -4.868 1.00 0.00 C ATOM 1690 CD GLU A 103 -1.845 -13.907 -3.401 1.00 0.00 C ATOM 1691 OE1 GLU A 103 -1.067 -13.259 -2.661 1.00 0.00 O ATOM 1692 OE2 GLU A 103 -2.628 -14.753 -2.898 1.00 0.00 O ATOM 1693 OXT GLU A 103 -3.150 -12.708 -7.614 1.00 0.00 O ATOM 0 H GLU A 103 -1.180 -11.044 -6.457 1.00 0.00 H new ATOM 0 HA GLU A 103 0.002 -13.451 -7.716 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -0.912 -14.874 -6.047 1.00 0.00 H new ATOM 0 HB3 GLU A 103 0.072 -13.666 -5.246 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -2.199 -12.393 -4.894 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -2.939 -13.939 -5.259 1.00 0.00 H new