USER MOD reduce.3.24.130724 H: found=0, std=0, add=1176, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1179 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 14 TYR OH : rot 16:sc= 0.153 USER MOD Set 1.2: B 49 ASN : amide:sc= 0.0176 K(o=0.94,f=-7.3!) USER MOD Set 1.3: B 68 SER OG : rot -137:sc= 0.771 USER MOD Set 2.1: B 57 SER OG : rot -67:sc= 0.358 USER MOD Set 2.2: B 59 THR OG1 : rot 180:sc= 0.0793 USER MOD Set 3.1: B 28 SER OG : rot -34:sc= 0.28 USER MOD Set 3.2: B 31 SER OG : rot 144:sc= 1.01 USER MOD Set 4.1: A 49 ASN : amide:sc= 0.288 K(o=0.33,f=-10!) USER MOD Set 4.2: A 68 SER OG : rot 71:sc= 0.043 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= -0.826 USER MOD Single : A 21 HIS : no HD1:sc= -1.88 X(o=-1.9,f=-1.5) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 125:sc= 0.8 USER MOD Single : A 38 ASN :FLIP amide:sc= -0.138 F(o=-0.68,f=-0.14) USER MOD Single : A 40 GLN : amide:sc= -0.0193 X(o=-0.019,f=-0.48) USER MOD Single : A 47 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0569) USER MOD Single : A 51 THR OG1 : rot 76:sc= 0.152 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -1.48 K(o=-1.5,f=-6.3!) USER MOD Single : A 56 MET CE :methyl 148:sc= -1.55 (180deg=-3.3!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.112 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0205 USER MOD Single : A 69 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.664) USER MOD Single : A 71 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.271) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -173:sc= -0.636 (180deg=-0.773) USER MOD Single : A 77 GLN : amide:sc= -0.0733 K(o=-0.073,f=-0.83) USER MOD Single : B 1 THR N :NH3+ 177:sc= -0.0131 (180deg=-0.0202) USER MOD Single : B 1 THR OG1 : rot 180:sc= 0 USER MOD Single : B 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 THR OG1 : rot 180:sc= 0 USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 14 TYR OH : rot 28:sc= 0.51 USER MOD Single : B 20 SER OG : rot 180:sc= -1.36 USER MOD Single : B 21 HIS : no HD1:sc= -2.45 X(o=-2.4,f=-2.5!) USER MOD Single : B 25 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0302) USER MOD Single : B 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 38 ASN : amide:sc= -0.0055 K(o=-0.0055,f=-0.74) USER MOD Single : B 40 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : B 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 THR OG1 : rot 74:sc= 0.169 USER MOD Single : B 53 THR OG1 : rot 180:sc= 0 USER MOD Single : B 55 ASN : amide:sc= -1.79 K(o=-1.8,f=-3.1) USER MOD Single : B 56 MET CE :methyl 156:sc= -2.01 (180deg=-3.42!) USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 63 THR OG1 : rot 180:sc= 0.00154 USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 74 MET CE :methyl -172:sc= -0.222 (180deg=-0.283) USER MOD Single : B 77 GLN :FLIP amide:sc= 0 F(o=-0.88,f=0) USER MOD ----------------------------------------------------------------- ATOM 17 N LYS A 2 14.737 -3.057 5.199 1.00 0.00 N ATOM 18 CA LYS A 2 15.316 -1.740 5.475 1.00 0.00 C ATOM 19 C LYS A 2 16.146 -1.238 4.291 1.00 0.00 C ATOM 20 O LYS A 2 16.892 -1.999 3.674 1.00 0.00 O ATOM 21 CB LYS A 2 16.189 -1.784 6.738 1.00 0.00 C ATOM 22 CG LYS A 2 17.219 -2.907 6.746 1.00 0.00 C ATOM 23 CD LYS A 2 18.481 -2.509 7.501 1.00 0.00 C ATOM 24 CE LYS A 2 18.994 -3.642 8.380 1.00 0.00 C ATOM 25 NZ LYS A 2 19.987 -3.164 9.383 1.00 0.00 N ATOM 0 HA LYS A 2 14.490 -1.047 5.636 1.00 0.00 H new ATOM 0 HB2 LYS A 2 16.707 -0.830 6.842 1.00 0.00 H new ATOM 0 HB3 LYS A 2 15.543 -1.892 7.609 1.00 0.00 H new ATOM 0 HG2 LYS A 2 16.785 -3.795 7.205 1.00 0.00 H new ATOM 0 HG3 LYS A 2 17.477 -3.172 5.721 1.00 0.00 H new ATOM 0 HD2 LYS A 2 19.255 -2.222 6.789 1.00 0.00 H new ATOM 0 HD3 LYS A 2 18.275 -1.635 8.118 1.00 0.00 H new ATOM 0 HE2 LYS A 2 18.155 -4.110 8.895 1.00 0.00 H new ATOM 0 HE3 LYS A 2 19.451 -4.408 7.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 20.311 -3.966 9.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 20.800 -2.740 8.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 19.544 -2.451 9.998 1.00 0.00 H new ATOM 39 N VAL A 3 16.001 0.051 3.984 1.00 0.00 N ATOM 40 CA VAL A 3 16.726 0.672 2.879 1.00 0.00 C ATOM 41 C VAL A 3 17.679 1.754 3.390 1.00 0.00 C ATOM 42 O VAL A 3 17.268 2.655 4.123 1.00 0.00 O ATOM 43 CB VAL A 3 15.753 1.299 1.854 1.00 0.00 C ATOM 44 CG1 VAL A 3 16.503 1.787 0.623 1.00 0.00 C ATOM 45 CG2 VAL A 3 14.663 0.308 1.461 1.00 0.00 C ATOM 0 H VAL A 3 15.384 0.687 4.489 1.00 0.00 H new ATOM 0 HA VAL A 3 17.301 -0.114 2.390 1.00 0.00 H new ATOM 0 HB VAL A 3 15.277 2.158 2.326 1.00 0.00 H new ATOM 0 HG11 VAL A 3 15.797 2.224 -0.084 1.00 0.00 H new ATOM 0 HG12 VAL A 3 17.235 2.539 0.917 1.00 0.00 H new ATOM 0 HG13 VAL A 3 17.015 0.948 0.152 1.00 0.00 H new ATOM 0 HG21 VAL A 3 13.992 0.773 0.739 1.00 0.00 H new ATOM 0 HG22 VAL A 3 15.119 -0.576 1.015 1.00 0.00 H new ATOM 0 HG23 VAL A 3 14.098 0.018 2.347 1.00 0.00 H new ATOM 55 N THR A 4 18.950 1.660 3.000 1.00 0.00 N ATOM 56 CA THR A 4 19.955 2.634 3.421 1.00 0.00 C ATOM 57 C THR A 4 20.720 3.188 2.217 1.00 0.00 C ATOM 58 O THR A 4 21.443 2.454 1.541 1.00 0.00 O ATOM 59 CB THR A 4 20.930 2.006 4.425 1.00 0.00 C ATOM 60 OG1 THR A 4 20.376 0.844 5.023 1.00 0.00 O ATOM 61 CG2 THR A 4 21.322 2.947 5.542 1.00 0.00 C ATOM 0 H THR A 4 19.307 0.921 2.395 1.00 0.00 H new ATOM 0 HA THR A 4 19.437 3.460 3.908 1.00 0.00 H new ATOM 0 HB THR A 4 21.817 1.760 3.841 1.00 0.00 H new ATOM 0 HG1 THR A 4 21.019 0.464 5.657 1.00 0.00 H new ATOM 0 HG21 THR A 4 22.013 2.442 6.217 1.00 0.00 H new ATOM 0 HG22 THR A 4 21.805 3.829 5.122 1.00 0.00 H new ATOM 0 HG23 THR A 4 20.431 3.249 6.093 1.00 0.00 H new ATOM 69 N LEU A 5 20.554 4.485 1.957 1.00 0.00 N ATOM 70 CA LEU A 5 21.225 5.145 0.835 1.00 0.00 C ATOM 71 C LEU A 5 22.300 6.109 1.332 1.00 0.00 C ATOM 72 O LEU A 5 22.199 6.640 2.438 1.00 0.00 O ATOM 73 CB LEU A 5 20.209 5.916 -0.019 1.00 0.00 C ATOM 74 CG LEU A 5 19.295 5.056 -0.899 1.00 0.00 C ATOM 75 CD1 LEU A 5 20.102 4.328 -1.966 1.00 0.00 C ATOM 76 CD2 LEU A 5 18.510 4.066 -0.054 1.00 0.00 C ATOM 0 H LEU A 5 19.959 5.102 2.510 1.00 0.00 H new ATOM 0 HA LEU A 5 21.696 4.371 0.229 1.00 0.00 H new ATOM 0 HB2 LEU A 5 19.585 6.516 0.644 1.00 0.00 H new ATOM 0 HB3 LEU A 5 20.753 6.610 -0.660 1.00 0.00 H new ATOM 0 HG LEU A 5 18.586 5.717 -1.398 1.00 0.00 H new ATOM 0 HD11 LEU A 5 19.433 3.724 -2.579 1.00 0.00 H new ATOM 0 HD12 LEU A 5 20.613 5.056 -2.596 1.00 0.00 H new ATOM 0 HD13 LEU A 5 20.838 3.682 -1.488 1.00 0.00 H new ATOM 0 HD21 LEU A 5 17.868 3.466 -0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 5 19.202 3.413 0.478 1.00 0.00 H new ATOM 0 HD23 LEU A 5 17.897 4.608 0.666 1.00 0.00 H new ATOM 88 N VAL A 6 23.321 6.340 0.507 1.00 0.00 N ATOM 89 CA VAL A 6 24.404 7.255 0.869 1.00 0.00 C ATOM 90 C VAL A 6 24.502 8.412 -0.127 1.00 0.00 C ATOM 91 O VAL A 6 25.077 8.266 -1.205 1.00 0.00 O ATOM 92 CB VAL A 6 25.770 6.535 0.940 1.00 0.00 C ATOM 93 CG1 VAL A 6 26.828 7.456 1.531 1.00 0.00 C ATOM 94 CG2 VAL A 6 25.666 5.251 1.750 1.00 0.00 C ATOM 0 H VAL A 6 23.421 5.909 -0.412 1.00 0.00 H new ATOM 0 HA VAL A 6 24.163 7.644 1.858 1.00 0.00 H new ATOM 0 HB VAL A 6 26.068 6.272 -0.075 1.00 0.00 H new ATOM 0 HG11 VAL A 6 27.783 6.933 1.574 1.00 0.00 H new ATOM 0 HG12 VAL A 6 26.928 8.344 0.906 1.00 0.00 H new ATOM 0 HG13 VAL A 6 26.532 7.752 2.537 1.00 0.00 H new ATOM 0 HG21 VAL A 6 26.640 4.763 1.785 1.00 0.00 H new ATOM 0 HG22 VAL A 6 25.341 5.486 2.764 1.00 0.00 H new ATOM 0 HG23 VAL A 6 24.942 4.583 1.282 1.00 0.00 H new ATOM 104 N LYS A 7 23.940 9.562 0.245 1.00 0.00 N ATOM 105 CA LYS A 7 23.968 10.746 -0.615 1.00 0.00 C ATOM 106 C LYS A 7 25.354 11.393 -0.618 1.00 0.00 C ATOM 107 O LYS A 7 25.953 11.601 0.438 1.00 0.00 O ATOM 108 CB LYS A 7 22.916 11.761 -0.154 1.00 0.00 C ATOM 109 CG LYS A 7 22.662 12.887 -1.143 1.00 0.00 C ATOM 110 CD LYS A 7 22.506 14.224 -0.433 1.00 0.00 C ATOM 111 CE LYS A 7 21.236 14.941 -0.862 1.00 0.00 C ATOM 112 NZ LYS A 7 21.465 16.394 -1.092 1.00 0.00 N ATOM 0 H LYS A 7 23.460 9.699 1.135 1.00 0.00 H new ATOM 0 HA LYS A 7 23.738 10.429 -1.632 1.00 0.00 H new ATOM 0 HB2 LYS A 7 21.978 11.237 0.032 1.00 0.00 H new ATOM 0 HB3 LYS A 7 23.234 12.191 0.796 1.00 0.00 H new ATOM 0 HG2 LYS A 7 23.488 12.944 -1.852 1.00 0.00 H new ATOM 0 HG3 LYS A 7 21.762 12.672 -1.719 1.00 0.00 H new ATOM 0 HD2 LYS A 7 22.488 14.064 0.645 1.00 0.00 H new ATOM 0 HD3 LYS A 7 23.370 14.853 -0.647 1.00 0.00 H new ATOM 0 HE2 LYS A 7 20.854 14.485 -1.775 1.00 0.00 H new ATOM 0 HE3 LYS A 7 20.471 14.812 -0.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 20.574 16.844 -1.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 21.805 16.835 -0.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 22.176 16.519 -1.840 1.00 0.00 H new ATOM 212 N GLU A 13 22.351 12.424 -7.183 1.00 0.00 N ATOM 213 CA GLU A 13 21.186 12.416 -6.312 1.00 0.00 C ATOM 214 C GLU A 13 20.692 10.987 -6.084 1.00 0.00 C ATOM 215 O GLU A 13 21.168 10.047 -6.724 1.00 0.00 O ATOM 216 CB GLU A 13 20.073 13.279 -6.915 1.00 0.00 C ATOM 217 CG GLU A 13 19.626 12.829 -8.300 1.00 0.00 C ATOM 218 CD GLU A 13 19.318 13.992 -9.226 1.00 0.00 C ATOM 219 OE1 GLU A 13 20.177 14.891 -9.366 1.00 0.00 O ATOM 220 OE2 GLU A 13 18.218 14.003 -9.815 1.00 0.00 O ATOM 0 HA GLU A 13 21.471 12.835 -5.347 1.00 0.00 H new ATOM 0 HB2 GLU A 13 19.214 13.267 -6.245 1.00 0.00 H new ATOM 0 HB3 GLU A 13 20.418 14.311 -6.973 1.00 0.00 H new ATOM 0 HG2 GLU A 13 20.406 12.212 -8.746 1.00 0.00 H new ATOM 0 HG3 GLU A 13 18.740 12.202 -8.205 1.00 0.00 H new ATOM 227 N TYR A 14 19.738 10.829 -5.167 1.00 0.00 N ATOM 228 CA TYR A 14 19.181 9.511 -4.852 1.00 0.00 C ATOM 229 C TYR A 14 18.586 8.849 -6.095 1.00 0.00 C ATOM 230 O TYR A 14 18.749 7.645 -6.301 1.00 0.00 O ATOM 231 CB TYR A 14 18.110 9.624 -3.766 1.00 0.00 C ATOM 232 CG TYR A 14 18.648 10.065 -2.424 1.00 0.00 C ATOM 233 CD1 TYR A 14 19.555 9.279 -1.722 1.00 0.00 C ATOM 234 CD2 TYR A 14 18.248 11.268 -1.861 1.00 0.00 C ATOM 235 CE1 TYR A 14 20.047 9.680 -0.497 1.00 0.00 C ATOM 236 CE2 TYR A 14 18.736 11.678 -0.637 1.00 0.00 C ATOM 237 CZ TYR A 14 19.633 10.883 0.043 1.00 0.00 C ATOM 238 OH TYR A 14 20.114 11.295 1.265 1.00 0.00 O ATOM 0 H TYR A 14 19.334 11.596 -4.629 1.00 0.00 H new ATOM 0 HA TYR A 14 19.998 8.889 -4.486 1.00 0.00 H new ATOM 0 HB2 TYR A 14 17.348 10.332 -4.092 1.00 0.00 H new ATOM 0 HB3 TYR A 14 17.619 8.658 -3.651 1.00 0.00 H new ATOM 0 HD1 TYR A 14 19.880 8.339 -2.143 1.00 0.00 H new ATOM 0 HD2 TYR A 14 17.544 11.894 -2.389 1.00 0.00 H new ATOM 0 HE1 TYR A 14 20.751 9.058 0.036 1.00 0.00 H new ATOM 0 HE2 TYR A 14 18.416 12.619 -0.214 1.00 0.00 H new ATOM 0 HH TYR A 14 20.909 10.771 1.497 1.00 0.00 H new ATOM 248 N GLY A 15 17.896 9.643 -6.915 1.00 0.00 N ATOM 249 CA GLY A 15 17.287 9.120 -8.126 1.00 0.00 C ATOM 250 C GLY A 15 16.122 8.185 -7.851 1.00 0.00 C ATOM 251 O GLY A 15 15.992 7.145 -8.496 1.00 0.00 O ATOM 0 H GLY A 15 17.749 10.640 -6.760 1.00 0.00 H new ATOM 0 HA2 GLY A 15 16.941 9.952 -8.740 1.00 0.00 H new ATOM 0 HA3 GLY A 15 18.042 8.589 -8.705 1.00 0.00 H new ATOM 255 N LEU A 16 15.270 8.557 -6.896 1.00 0.00 N ATOM 256 CA LEU A 16 14.109 7.744 -6.548 1.00 0.00 C ATOM 257 C LEU A 16 12.835 8.585 -6.562 1.00 0.00 C ATOM 258 O LEU A 16 12.747 9.611 -5.886 1.00 0.00 O ATOM 259 CB LEU A 16 14.300 7.082 -5.176 1.00 0.00 C ATOM 260 CG LEU A 16 14.506 8.043 -4.001 1.00 0.00 C ATOM 261 CD1 LEU A 16 13.190 8.308 -3.286 1.00 0.00 C ATOM 262 CD2 LEU A 16 15.535 7.484 -3.027 1.00 0.00 C ATOM 0 H LEU A 16 15.363 9.415 -6.352 1.00 0.00 H new ATOM 0 HA LEU A 16 14.010 6.959 -7.298 1.00 0.00 H new ATOM 0 HB2 LEU A 16 13.428 6.462 -4.967 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.160 6.414 -5.231 1.00 0.00 H new ATOM 0 HG LEU A 16 14.879 8.988 -4.396 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.359 8.993 -2.455 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.480 8.752 -3.984 1.00 0.00 H new ATOM 0 HD13 LEU A 16 12.787 7.369 -2.906 1.00 0.00 H new ATOM 0 HD21 LEU A 16 15.668 8.180 -2.199 1.00 0.00 H new ATOM 0 HD22 LEU A 16 15.188 6.525 -2.642 1.00 0.00 H new ATOM 0 HD23 LEU A 16 16.486 7.346 -3.542 1.00 0.00 H new ATOM 274 N ARG A 17 11.849 8.144 -7.344 1.00 0.00 N ATOM 275 CA ARG A 17 10.577 8.853 -7.455 1.00 0.00 C ATOM 276 C ARG A 17 9.659 8.502 -6.288 1.00 0.00 C ATOM 277 O ARG A 17 9.248 7.353 -6.141 1.00 0.00 O ATOM 278 CB ARG A 17 9.890 8.511 -8.781 1.00 0.00 C ATOM 279 CG ARG A 17 10.288 9.425 -9.928 1.00 0.00 C ATOM 280 CD ARG A 17 9.267 10.533 -10.139 1.00 0.00 C ATOM 281 NE ARG A 17 8.322 10.221 -11.214 1.00 0.00 N ATOM 282 CZ ARG A 17 7.225 10.939 -11.475 1.00 0.00 C ATOM 283 NH1 ARG A 17 6.927 12.006 -10.739 1.00 0.00 N ATOM 284 NH2 ARG A 17 6.424 10.591 -12.475 1.00 0.00 N ATOM 0 H ARG A 17 11.909 7.298 -7.910 1.00 0.00 H new ATOM 0 HA ARG A 17 10.781 9.923 -7.427 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.128 7.482 -9.049 1.00 0.00 H new ATOM 0 HB3 ARG A 17 8.810 8.563 -8.645 1.00 0.00 H new ATOM 0 HG2 ARG A 17 11.265 9.863 -9.723 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.386 8.841 -10.843 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.718 10.699 -9.212 1.00 0.00 H new ATOM 0 HD3 ARG A 17 9.786 11.463 -10.373 1.00 0.00 H new ATOM 0 HE ARG A 17 8.512 9.407 -11.798 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.537 12.281 -9.969 1.00 0.00 H new ATOM 0 HH12 ARG A 17 6.088 12.549 -10.944 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.645 9.775 -13.045 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.587 11.140 -12.673 1.00 0.00 H new ATOM 298 N LEU A 18 9.347 9.494 -5.461 1.00 0.00 N ATOM 299 CA LEU A 18 8.480 9.281 -4.304 1.00 0.00 C ATOM 300 C LEU A 18 7.023 9.600 -4.633 1.00 0.00 C ATOM 301 O LEU A 18 6.729 10.581 -5.318 1.00 0.00 O ATOM 302 CB LEU A 18 8.946 10.140 -3.124 1.00 0.00 C ATOM 303 CG LEU A 18 9.206 9.380 -1.820 1.00 0.00 C ATOM 304 CD1 LEU A 18 7.998 8.546 -1.425 1.00 0.00 C ATOM 305 CD2 LEU A 18 10.444 8.502 -1.949 1.00 0.00 C ATOM 0 H LEU A 18 9.680 10.452 -5.568 1.00 0.00 H new ATOM 0 HA LEU A 18 8.545 8.228 -4.031 1.00 0.00 H new ATOM 0 HB2 LEU A 18 9.861 10.657 -3.412 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.194 10.906 -2.935 1.00 0.00 H new ATOM 0 HG LEU A 18 9.383 10.112 -1.032 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.209 8.017 -0.496 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.136 9.198 -1.283 1.00 0.00 H new ATOM 0 HD13 LEU A 18 7.781 7.824 -2.212 1.00 0.00 H new ATOM 0 HD21 LEU A 18 10.612 7.970 -1.012 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.297 7.782 -2.754 1.00 0.00 H new ATOM 0 HD23 LEU A 18 11.310 9.125 -2.173 1.00 0.00 H new ATOM 317 N ALA A 19 6.115 8.766 -4.126 1.00 0.00 N ATOM 318 CA ALA A 19 4.684 8.950 -4.347 1.00 0.00 C ATOM 319 C ALA A 19 3.889 8.631 -3.078 1.00 0.00 C ATOM 320 O ALA A 19 4.449 8.143 -2.094 1.00 0.00 O ATOM 321 CB ALA A 19 4.215 8.089 -5.509 1.00 0.00 C ATOM 0 H ALA A 19 6.349 7.953 -3.557 1.00 0.00 H new ATOM 0 HA ALA A 19 4.507 9.996 -4.598 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.146 8.236 -5.663 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.754 8.373 -6.413 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.408 7.040 -5.286 1.00 0.00 H new ATOM 327 N SER A 20 2.583 8.912 -3.095 1.00 0.00 N ATOM 328 CA SER A 20 1.733 8.652 -1.932 1.00 0.00 C ATOM 329 C SER A 20 0.447 7.923 -2.321 1.00 0.00 C ATOM 330 O SER A 20 -0.105 8.146 -3.400 1.00 0.00 O ATOM 331 CB SER A 20 1.397 9.960 -1.207 1.00 0.00 C ATOM 332 OG SER A 20 0.622 10.823 -2.024 1.00 0.00 O ATOM 0 H SER A 20 2.095 9.316 -3.895 1.00 0.00 H new ATOM 0 HA SER A 20 2.294 8.004 -1.258 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.852 9.739 -0.290 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.319 10.463 -0.916 1.00 0.00 H new ATOM 0 HG SER A 20 0.423 11.647 -1.533 1.00 0.00 H new ATOM 338 N HIS A 21 -0.019 7.051 -1.427 1.00 0.00 N ATOM 339 CA HIS A 21 -1.238 6.278 -1.656 1.00 0.00 C ATOM 340 C HIS A 21 -2.309 6.613 -0.613 1.00 0.00 C ATOM 341 O HIS A 21 -2.075 7.410 0.297 1.00 0.00 O ATOM 342 CB HIS A 21 -0.925 4.782 -1.612 1.00 0.00 C ATOM 343 CG HIS A 21 -1.251 4.076 -2.886 1.00 0.00 C ATOM 344 ND1 HIS A 21 -2.280 3.169 -3.002 1.00 0.00 N ATOM 345 CD2 HIS A 21 -0.680 4.156 -4.107 1.00 0.00 C ATOM 346 CE1 HIS A 21 -2.327 2.717 -4.242 1.00 0.00 C ATOM 347 NE2 HIS A 21 -1.367 3.301 -4.937 1.00 0.00 N ATOM 0 H HIS A 21 0.433 6.862 -0.532 1.00 0.00 H new ATOM 0 HA HIS A 21 -1.624 6.540 -2.641 1.00 0.00 H new ATOM 0 HB2 HIS A 21 0.133 4.645 -1.389 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -1.485 4.324 -0.797 1.00 0.00 H new ATOM 0 HD2 HIS A 21 0.160 4.776 -4.381 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -3.031 1.992 -4.623 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -1.168 3.144 -5.925 1.00 0.00 H new ATOM 356 N ILE A 22 -3.485 5.997 -0.751 1.00 0.00 N ATOM 357 CA ILE A 22 -4.592 6.230 0.179 1.00 0.00 C ATOM 358 C ILE A 22 -5.207 4.911 0.650 1.00 0.00 C ATOM 359 O ILE A 22 -5.340 3.965 -0.126 1.00 0.00 O ATOM 360 CB ILE A 22 -5.693 7.101 -0.469 1.00 0.00 C ATOM 361 CG1 ILE A 22 -5.096 8.391 -1.045 1.00 0.00 C ATOM 362 CG2 ILE A 22 -6.786 7.425 0.538 1.00 0.00 C ATOM 363 CD1 ILE A 22 -4.544 9.334 0.005 1.00 0.00 C ATOM 0 H ILE A 22 -3.695 5.334 -1.497 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.179 6.758 1.039 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.136 6.532 -1.286 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.299 8.131 -1.741 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.864 8.911 -1.619 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.550 8.039 0.061 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.236 6.499 0.897 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.356 7.970 1.379 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.140 10.222 -0.480 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.342 9.625 0.688 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.753 8.834 0.563 1.00 0.00 H new ATOM 375 N PHE A 23 -5.584 4.860 1.930 1.00 0.00 N ATOM 376 CA PHE A 23 -6.189 3.660 2.507 1.00 0.00 C ATOM 377 C PHE A 23 -7.169 4.014 3.633 1.00 0.00 C ATOM 378 O PHE A 23 -7.346 5.185 3.970 1.00 0.00 O ATOM 379 CB PHE A 23 -5.102 2.710 3.025 1.00 0.00 C ATOM 380 CG PHE A 23 -4.422 3.187 4.281 1.00 0.00 C ATOM 381 CD1 PHE A 23 -3.583 4.288 4.254 1.00 0.00 C ATOM 382 CD2 PHE A 23 -4.622 2.530 5.486 1.00 0.00 C ATOM 383 CE1 PHE A 23 -2.961 4.730 5.406 1.00 0.00 C ATOM 384 CE2 PHE A 23 -4.002 2.967 6.640 1.00 0.00 C ATOM 385 CZ PHE A 23 -3.168 4.068 6.599 1.00 0.00 C ATOM 0 H PHE A 23 -5.481 5.635 2.585 1.00 0.00 H new ATOM 0 HA PHE A 23 -6.751 3.158 1.720 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -5.547 1.733 3.213 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.351 2.574 2.247 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -3.413 4.807 3.322 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.270 1.667 5.522 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -2.313 5.593 5.373 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -4.169 2.449 7.573 1.00 0.00 H new ATOM 0 HZ PHE A 23 -2.679 4.410 7.499 1.00 0.00 H new ATOM 395 N VAL A 24 -7.801 2.990 4.210 1.00 0.00 N ATOM 396 CA VAL A 24 -8.762 3.184 5.295 1.00 0.00 C ATOM 397 C VAL A 24 -8.141 2.841 6.648 1.00 0.00 C ATOM 398 O VAL A 24 -7.636 1.737 6.849 1.00 0.00 O ATOM 399 CB VAL A 24 -10.028 2.321 5.095 1.00 0.00 C ATOM 400 CG1 VAL A 24 -11.097 2.688 6.114 1.00 0.00 C ATOM 401 CG2 VAL A 24 -10.566 2.468 3.679 1.00 0.00 C ATOM 0 H VAL A 24 -7.663 2.015 3.942 1.00 0.00 H new ATOM 0 HA VAL A 24 -9.043 4.237 5.279 1.00 0.00 H new ATOM 0 HB VAL A 24 -9.752 1.278 5.248 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -11.979 2.068 5.955 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -10.713 2.521 7.120 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -11.365 3.738 5.998 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -11.457 1.851 3.562 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -10.820 3.511 3.493 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -9.807 2.147 2.966 1.00 0.00 H new ATOM 411 N LYS A 25 -8.192 3.797 7.574 1.00 0.00 N ATOM 412 CA LYS A 25 -7.644 3.603 8.915 1.00 0.00 C ATOM 413 C LYS A 25 -8.590 2.773 9.791 1.00 0.00 C ATOM 414 O LYS A 25 -8.137 1.966 10.604 1.00 0.00 O ATOM 415 CB LYS A 25 -7.371 4.958 9.577 1.00 0.00 C ATOM 416 CG LYS A 25 -6.322 4.909 10.679 1.00 0.00 C ATOM 417 CD LYS A 25 -4.932 4.621 10.127 1.00 0.00 C ATOM 418 CE LYS A 25 -3.896 4.527 11.241 1.00 0.00 C ATOM 419 NZ LYS A 25 -2.825 3.533 10.935 1.00 0.00 N ATOM 0 H LYS A 25 -8.608 4.715 7.420 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.707 3.055 8.816 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.048 5.665 8.813 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.303 5.342 9.993 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.311 5.859 11.212 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.592 4.140 11.403 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.949 3.687 9.565 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.647 5.408 9.429 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.445 5.507 11.399 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.391 4.250 12.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.144 3.504 11.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.250 2.592 10.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.334 3.810 10.061 1.00 0.00 H new ATOM 433 N GLU A 26 -9.903 2.976 9.622 1.00 0.00 N ATOM 434 CA GLU A 26 -10.906 2.243 10.400 1.00 0.00 C ATOM 435 C GLU A 26 -12.325 2.539 9.905 1.00 0.00 C ATOM 436 O GLU A 26 -12.530 3.433 9.081 1.00 0.00 O ATOM 437 CB GLU A 26 -10.796 2.598 11.887 1.00 0.00 C ATOM 438 CG GLU A 26 -10.215 1.479 12.739 1.00 0.00 C ATOM 439 CD GLU A 26 -10.743 1.490 14.160 1.00 0.00 C ATOM 440 OE1 GLU A 26 -11.830 0.921 14.394 1.00 0.00 O ATOM 441 OE2 GLU A 26 -10.070 2.071 15.038 1.00 0.00 O ATOM 0 H GLU A 26 -10.293 3.641 8.954 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.710 1.179 10.266 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.173 3.486 11.995 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.786 2.855 12.265 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.446 0.519 12.277 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.129 1.570 12.759 1.00 0.00 H new ATOM 448 N ILE A 27 -13.303 1.787 10.419 1.00 0.00 N ATOM 449 CA ILE A 27 -14.706 1.970 10.036 1.00 0.00 C ATOM 450 C ILE A 27 -15.571 2.282 11.258 1.00 0.00 C ATOM 451 O ILE A 27 -15.300 1.802 12.360 1.00 0.00 O ATOM 452 CB ILE A 27 -15.285 0.720 9.331 1.00 0.00 C ATOM 453 CG1 ILE A 27 -14.254 0.095 8.380 1.00 0.00 C ATOM 454 CG2 ILE A 27 -16.559 1.078 8.576 1.00 0.00 C ATOM 455 CD1 ILE A 27 -13.895 0.971 7.197 1.00 0.00 C ATOM 0 H ILE A 27 -13.149 1.045 11.102 1.00 0.00 H new ATOM 0 HA ILE A 27 -14.726 2.809 9.340 1.00 0.00 H new ATOM 0 HB ILE A 27 -15.528 -0.018 10.096 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -13.347 -0.129 8.941 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -14.644 -0.854 8.011 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -16.954 0.188 8.086 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -17.300 1.466 9.275 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -16.336 1.837 7.826 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -13.162 0.459 6.574 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -14.791 1.175 6.610 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -13.474 1.911 7.555 1.00 0.00 H new ATOM 467 N SER A 28 -16.615 3.086 11.056 1.00 0.00 N ATOM 468 CA SER A 28 -17.516 3.457 12.144 1.00 0.00 C ATOM 469 C SER A 28 -18.673 2.469 12.264 1.00 0.00 C ATOM 470 O SER A 28 -19.122 1.896 11.269 1.00 0.00 O ATOM 471 CB SER A 28 -18.067 4.868 11.925 1.00 0.00 C ATOM 472 OG SER A 28 -18.788 5.317 13.060 1.00 0.00 O ATOM 0 H SER A 28 -16.856 3.491 10.151 1.00 0.00 H new ATOM 0 HA SER A 28 -16.942 3.434 13.070 1.00 0.00 H new ATOM 0 HB2 SER A 28 -17.246 5.554 11.717 1.00 0.00 H new ATOM 0 HB3 SER A 28 -18.718 4.876 11.051 1.00 0.00 H new ATOM 0 HG SER A 28 -19.128 6.221 12.895 1.00 0.00 H new ATOM 478 N GLN A 29 -19.158 2.283 13.490 1.00 0.00 N ATOM 479 CA GLN A 29 -20.272 1.375 13.745 1.00 0.00 C ATOM 480 C GLN A 29 -21.602 2.072 13.469 1.00 0.00 C ATOM 481 O GLN A 29 -21.736 3.278 13.685 1.00 0.00 O ATOM 482 CB GLN A 29 -20.234 0.866 15.190 1.00 0.00 C ATOM 483 CG GLN A 29 -19.497 -0.455 15.356 1.00 0.00 C ATOM 484 CD GLN A 29 -18.011 -0.333 15.080 1.00 0.00 C ATOM 485 OE1 GLN A 29 -17.302 0.403 15.766 1.00 0.00 O ATOM 486 NE2 GLN A 29 -17.531 -1.053 14.074 1.00 0.00 N ATOM 0 H GLN A 29 -18.796 2.750 14.322 1.00 0.00 H new ATOM 0 HA GLN A 29 -20.177 0.522 13.073 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -19.758 1.619 15.818 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -21.256 0.749 15.551 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -19.645 -0.824 16.371 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -19.928 -1.195 14.682 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -18.155 -1.650 13.531 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -16.538 -1.009 13.844 1.00 0.00 H new ATOM 495 N ASP A 30 -22.579 1.307 12.982 1.00 0.00 N ATOM 496 CA ASP A 30 -23.902 1.845 12.659 1.00 0.00 C ATOM 497 C ASP A 30 -23.798 2.979 11.632 1.00 0.00 C ATOM 498 O ASP A 30 -24.573 3.936 11.667 1.00 0.00 O ATOM 499 CB ASP A 30 -24.607 2.345 13.930 1.00 0.00 C ATOM 500 CG ASP A 30 -26.112 2.134 13.892 1.00 0.00 C ATOM 501 OD1 ASP A 30 -26.691 2.133 12.783 1.00 0.00 O ATOM 502 OD2 ASP A 30 -26.714 1.972 14.974 1.00 0.00 O ATOM 0 H ASP A 30 -22.479 0.308 12.802 1.00 0.00 H new ATOM 0 HA ASP A 30 -24.494 1.040 12.223 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -24.194 1.828 14.796 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -24.397 3.406 14.063 1.00 0.00 H new ATOM 507 N SER A 31 -22.834 2.862 10.717 1.00 0.00 N ATOM 508 CA SER A 31 -22.629 3.871 9.682 1.00 0.00 C ATOM 509 C SER A 31 -22.933 3.299 8.298 1.00 0.00 C ATOM 510 O SER A 31 -23.318 2.133 8.169 1.00 0.00 O ATOM 511 CB SER A 31 -21.189 4.401 9.744 1.00 0.00 C ATOM 512 OG SER A 31 -20.288 3.542 9.064 1.00 0.00 O ATOM 0 H SER A 31 -22.184 2.077 10.674 1.00 0.00 H new ATOM 0 HA SER A 31 -23.316 4.698 9.862 1.00 0.00 H new ATOM 0 HB2 SER A 31 -21.147 5.397 9.302 1.00 0.00 H new ATOM 0 HB3 SER A 31 -20.882 4.501 10.785 1.00 0.00 H new ATOM 0 HG SER A 31 -19.795 4.053 8.389 1.00 0.00 H new ATOM 518 N LEU A 32 -22.761 4.124 7.264 1.00 0.00 N ATOM 519 CA LEU A 32 -23.019 3.696 5.889 1.00 0.00 C ATOM 520 C LEU A 32 -22.127 2.519 5.501 1.00 0.00 C ATOM 521 O LEU A 32 -22.583 1.582 4.847 1.00 0.00 O ATOM 522 CB LEU A 32 -22.804 4.855 4.912 1.00 0.00 C ATOM 523 CG LEU A 32 -23.997 5.799 4.750 1.00 0.00 C ATOM 524 CD1 LEU A 32 -23.713 6.828 3.670 1.00 0.00 C ATOM 525 CD2 LEU A 32 -25.259 5.016 4.422 1.00 0.00 C ATOM 0 H LEU A 32 -22.445 5.090 7.352 1.00 0.00 H new ATOM 0 HA LEU A 32 -24.059 3.374 5.834 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -21.944 5.436 5.246 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -22.551 4.444 3.935 1.00 0.00 H new ATOM 0 HG LEU A 32 -24.155 6.321 5.694 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -24.571 7.493 3.566 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -22.834 7.411 3.945 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -23.530 6.320 2.723 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -26.096 5.705 4.311 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -25.115 4.467 3.492 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -25.472 4.314 5.228 1.00 0.00 H new ATOM 537 N ALA A 33 -20.857 2.571 5.909 1.00 0.00 N ATOM 538 CA ALA A 33 -19.909 1.501 5.601 1.00 0.00 C ATOM 539 C ALA A 33 -20.397 0.156 6.145 1.00 0.00 C ATOM 540 O ALA A 33 -20.338 -0.858 5.449 1.00 0.00 O ATOM 541 CB ALA A 33 -18.534 1.831 6.164 1.00 0.00 C ATOM 0 H ALA A 33 -20.464 3.340 6.451 1.00 0.00 H new ATOM 0 HA ALA A 33 -19.835 1.420 4.517 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -17.840 1.025 5.926 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -18.174 2.761 5.724 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -18.601 1.944 7.246 1.00 0.00 H new ATOM 547 N ALA A 34 -20.881 0.162 7.388 1.00 0.00 N ATOM 548 CA ALA A 34 -21.386 -1.055 8.022 1.00 0.00 C ATOM 549 C ALA A 34 -22.681 -1.528 7.362 1.00 0.00 C ATOM 550 O ALA A 34 -22.920 -2.728 7.235 1.00 0.00 O ATOM 551 CB ALA A 34 -21.600 -0.825 9.511 1.00 0.00 C ATOM 0 H ALA A 34 -20.934 0.995 7.974 1.00 0.00 H new ATOM 0 HA ALA A 34 -20.639 -1.838 7.891 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -21.976 -1.739 9.970 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -20.654 -0.548 9.976 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -22.324 -0.023 9.655 1.00 0.00 H new ATOM 557 N ARG A 35 -23.514 -0.574 6.941 1.00 0.00 N ATOM 558 CA ARG A 35 -24.783 -0.893 6.288 1.00 0.00 C ATOM 559 C ARG A 35 -24.557 -1.395 4.862 1.00 0.00 C ATOM 560 O ARG A 35 -25.228 -2.324 4.411 1.00 0.00 O ATOM 561 CB ARG A 35 -25.693 0.339 6.267 1.00 0.00 C ATOM 562 CG ARG A 35 -27.160 0.018 6.505 1.00 0.00 C ATOM 563 CD ARG A 35 -28.069 1.079 5.900 1.00 0.00 C ATOM 564 NE ARG A 35 -29.482 0.804 6.159 1.00 0.00 N ATOM 565 CZ ARG A 35 -30.096 1.058 7.318 1.00 0.00 C ATOM 566 NH1 ARG A 35 -29.427 1.600 8.335 1.00 0.00 N ATOM 567 NH2 ARG A 35 -31.387 0.772 7.459 1.00 0.00 N ATOM 0 H ARG A 35 -23.332 0.425 7.041 1.00 0.00 H new ATOM 0 HA ARG A 35 -25.265 -1.686 6.860 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -25.356 1.042 7.028 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -25.591 0.839 5.304 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -27.396 -0.954 6.072 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -27.348 -0.056 7.576 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -27.809 2.055 6.309 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -27.901 1.129 4.824 1.00 0.00 H new ATOM 0 HE ARG A 35 -30.034 0.392 5.407 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -28.437 1.825 8.232 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -29.905 1.790 9.216 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -31.906 0.360 6.683 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -31.859 0.965 8.343 1.00 0.00 H new ATOM 581 N ASP A 36 -23.612 -0.775 4.154 1.00 0.00 N ATOM 582 CA ASP A 36 -23.305 -1.160 2.777 1.00 0.00 C ATOM 583 C ASP A 36 -22.467 -2.439 2.726 1.00 0.00 C ATOM 584 O ASP A 36 -22.628 -3.255 1.819 1.00 0.00 O ATOM 585 CB ASP A 36 -22.573 -0.029 2.054 1.00 0.00 C ATOM 586 CG ASP A 36 -23.415 0.597 0.958 1.00 0.00 C ATOM 587 OD1 ASP A 36 -23.553 -0.027 -0.113 1.00 0.00 O ATOM 588 OD2 ASP A 36 -23.936 1.712 1.174 1.00 0.00 O ATOM 0 H ASP A 36 -23.047 -0.005 4.511 1.00 0.00 H new ATOM 0 HA ASP A 36 -24.252 -1.354 2.272 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.292 0.738 2.776 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.649 -0.415 1.623 1.00 0.00 H new ATOM 593 N GLY A 37 -21.573 -2.607 3.702 1.00 0.00 N ATOM 594 CA GLY A 37 -20.728 -3.789 3.743 1.00 0.00 C ATOM 595 C GLY A 37 -19.747 -3.851 2.586 1.00 0.00 C ATOM 596 O GLY A 37 -19.637 -4.881 1.917 1.00 0.00 O ATOM 0 H GLY A 37 -21.420 -1.945 4.463 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -20.176 -3.803 4.683 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -21.356 -4.680 3.729 1.00 0.00 H new ATOM 600 N ASN A 38 -19.033 -2.750 2.345 1.00 0.00 N ATOM 601 CA ASN A 38 -18.059 -2.690 1.255 1.00 0.00 C ATOM 602 C ASN A 38 -16.683 -2.242 1.753 1.00 0.00 C ATOM 603 O ASN A 38 -15.667 -2.848 1.408 1.00 0.00 O ATOM 604 CB ASN A 38 -18.548 -1.745 0.150 1.00 0.00 C ATOM 605 CG ASN A 38 -19.864 -2.191 -0.461 1.00 0.00 C ATOM 606 OD1 ASN A 38 -20.831 -1.281 -0.527 1.00 0.00 O flip ATOM 607 ND2 ASN A 38 -20.009 -3.342 -0.873 1.00 0.00 N flip ATOM 0 H ASN A 38 -19.111 -1.890 2.888 1.00 0.00 H new ATOM 0 HA ASN A 38 -17.960 -3.697 0.849 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -18.664 -0.742 0.560 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -17.791 -1.684 -0.632 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -19.241 -4.009 -0.803 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -20.897 -3.628 -1.284 1.00 0.00 H new ATOM 614 N ILE A 39 -16.654 -1.180 2.559 1.00 0.00 N ATOM 615 CA ILE A 39 -15.399 -0.652 3.095 1.00 0.00 C ATOM 616 C ILE A 39 -14.988 -1.385 4.370 1.00 0.00 C ATOM 617 O ILE A 39 -15.833 -1.715 5.207 1.00 0.00 O ATOM 618 CB ILE A 39 -15.499 0.862 3.392 1.00 0.00 C ATOM 619 CG1 ILE A 39 -16.162 1.598 2.224 1.00 0.00 C ATOM 620 CG2 ILE A 39 -14.119 1.441 3.675 1.00 0.00 C ATOM 621 CD1 ILE A 39 -17.657 1.772 2.383 1.00 0.00 C ATOM 0 H ILE A 39 -17.485 -0.669 2.855 1.00 0.00 H new ATOM 0 HA ILE A 39 -14.641 -0.813 2.328 1.00 0.00 H new ATOM 0 HB ILE A 39 -16.119 0.999 4.278 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -15.701 2.580 2.116 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -15.965 1.050 1.302 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -14.207 2.508 3.882 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -13.684 0.938 4.539 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -13.477 1.292 2.807 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -18.056 2.301 1.518 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -18.131 0.793 2.460 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -17.862 2.347 3.286 1.00 0.00 H new ATOM 633 N GLN A 40 -13.686 -1.633 4.512 1.00 0.00 N ATOM 634 CA GLN A 40 -13.155 -2.326 5.684 1.00 0.00 C ATOM 635 C GLN A 40 -11.883 -1.652 6.194 1.00 0.00 C ATOM 636 O GLN A 40 -11.317 -0.783 5.527 1.00 0.00 O ATOM 637 CB GLN A 40 -12.868 -3.791 5.351 1.00 0.00 C ATOM 638 CG GLN A 40 -14.115 -4.599 5.026 1.00 0.00 C ATOM 639 CD GLN A 40 -13.880 -6.097 5.094 1.00 0.00 C ATOM 640 OE1 GLN A 40 -13.260 -6.598 6.032 1.00 0.00 O ATOM 641 NE2 GLN A 40 -14.376 -6.821 4.097 1.00 0.00 N ATOM 0 H GLN A 40 -12.979 -1.363 3.828 1.00 0.00 H new ATOM 0 HA GLN A 40 -13.908 -2.278 6.470 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -12.186 -3.835 4.502 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -12.356 -4.253 6.195 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -14.909 -4.329 5.722 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -14.463 -4.335 4.027 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -14.884 -6.365 3.339 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -14.249 -7.833 4.089 1.00 0.00 H new ATOM 650 N GLU A 41 -11.439 -2.061 7.383 1.00 0.00 N ATOM 651 CA GLU A 41 -10.232 -1.502 7.989 1.00 0.00 C ATOM 652 C GLU A 41 -8.982 -2.003 7.269 1.00 0.00 C ATOM 653 O GLU A 41 -8.714 -3.206 7.235 1.00 0.00 O ATOM 654 CB GLU A 41 -10.153 -1.870 9.475 1.00 0.00 C ATOM 655 CG GLU A 41 -11.432 -1.593 10.252 1.00 0.00 C ATOM 656 CD GLU A 41 -11.683 -2.619 11.341 1.00 0.00 C ATOM 657 OE1 GLU A 41 -12.012 -3.776 11.004 1.00 0.00 O ATOM 658 OE2 GLU A 41 -11.549 -2.264 12.530 1.00 0.00 O ATOM 0 H GLU A 41 -11.898 -2.778 7.945 1.00 0.00 H new ATOM 0 HA GLU A 41 -10.283 -0.417 7.894 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.909 -2.929 9.564 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -9.335 -1.314 9.933 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.374 -0.600 10.699 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -12.277 -1.584 9.564 1.00 0.00 H new ATOM 665 N GLY A 42 -8.224 -1.073 6.690 1.00 0.00 N ATOM 666 CA GLY A 42 -7.012 -1.437 5.972 1.00 0.00 C ATOM 667 C GLY A 42 -7.167 -1.372 4.458 1.00 0.00 C ATOM 668 O GLY A 42 -6.178 -1.474 3.729 1.00 0.00 O ATOM 0 H GLY A 42 -8.428 -0.074 6.705 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.204 -0.772 6.277 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.718 -2.447 6.257 1.00 0.00 H new ATOM 672 N ASP A 43 -8.405 -1.200 3.980 1.00 0.00 N ATOM 673 CA ASP A 43 -8.672 -1.122 2.543 1.00 0.00 C ATOM 674 C ASP A 43 -7.849 -0.006 1.897 1.00 0.00 C ATOM 675 O ASP A 43 -7.686 1.067 2.476 1.00 0.00 O ATOM 676 CB ASP A 43 -10.169 -0.890 2.289 1.00 0.00 C ATOM 677 CG ASP A 43 -10.776 -1.929 1.361 1.00 0.00 C ATOM 678 OD1 ASP A 43 -10.172 -2.210 0.304 1.00 0.00 O ATOM 679 OD2 ASP A 43 -11.859 -2.460 1.692 1.00 0.00 O ATOM 0 H ASP A 43 -9.234 -1.113 4.567 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.381 -2.070 2.091 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -10.701 -0.904 3.240 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -10.311 0.102 1.859 1.00 0.00 H new ATOM 684 N VAL A 44 -7.325 -0.269 0.700 1.00 0.00 N ATOM 685 CA VAL A 44 -6.508 0.711 -0.016 1.00 0.00 C ATOM 686 C VAL A 44 -7.293 1.355 -1.160 1.00 0.00 C ATOM 687 O VAL A 44 -7.520 0.730 -2.198 1.00 0.00 O ATOM 688 CB VAL A 44 -5.218 0.067 -0.575 1.00 0.00 C ATOM 689 CG1 VAL A 44 -4.303 1.124 -1.181 1.00 0.00 C ATOM 690 CG2 VAL A 44 -4.489 -0.712 0.513 1.00 0.00 C ATOM 0 H VAL A 44 -7.452 -1.152 0.206 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.233 1.483 0.703 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.503 -0.630 -1.363 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.402 0.647 -1.568 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.822 1.632 -1.994 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.029 1.850 -0.416 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.585 -1.157 0.098 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.221 -0.037 1.326 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.139 -1.500 0.894 1.00 0.00 H new ATOM 700 N VAL A 45 -7.703 2.608 -0.959 1.00 0.00 N ATOM 701 CA VAL A 45 -8.464 3.349 -1.965 1.00 0.00 C ATOM 702 C VAL A 45 -7.534 4.040 -2.961 1.00 0.00 C ATOM 703 O VAL A 45 -6.567 4.693 -2.567 1.00 0.00 O ATOM 704 CB VAL A 45 -9.370 4.419 -1.311 1.00 0.00 C ATOM 705 CG1 VAL A 45 -10.290 5.050 -2.346 1.00 0.00 C ATOM 706 CG2 VAL A 45 -10.178 3.825 -0.166 1.00 0.00 C ATOM 0 H VAL A 45 -7.519 3.133 -0.104 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.084 2.621 -2.488 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.728 5.199 -0.901 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.919 5.800 -1.865 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.692 5.523 -3.124 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -10.920 4.280 -2.791 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.806 4.599 0.276 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -10.807 3.019 -0.544 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.500 3.431 0.592 1.00 0.00 H new ATOM 716 N LEU A 46 -7.838 3.903 -4.250 1.00 0.00 N ATOM 717 CA LEU A 46 -7.027 4.526 -5.297 1.00 0.00 C ATOM 718 C LEU A 46 -7.839 5.532 -6.135 1.00 0.00 C ATOM 719 O LEU A 46 -7.266 6.274 -6.936 1.00 0.00 O ATOM 720 CB LEU A 46 -6.374 3.446 -6.184 1.00 0.00 C ATOM 721 CG LEU A 46 -7.233 2.844 -7.308 1.00 0.00 C ATOM 722 CD1 LEU A 46 -8.621 2.474 -6.809 1.00 0.00 C ATOM 723 CD2 LEU A 46 -7.321 3.797 -8.493 1.00 0.00 C ATOM 0 H LEU A 46 -8.636 3.369 -4.595 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.235 5.095 -4.811 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -5.480 3.876 -6.636 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.045 2.632 -5.538 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.745 1.928 -7.641 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.202 2.051 -7.629 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -8.536 1.739 -6.008 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.122 3.366 -6.432 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.934 3.349 -9.275 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.772 4.736 -8.172 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.321 3.989 -8.881 1.00 0.00 H new ATOM 735 N LYS A 47 -9.165 5.572 -5.939 1.00 0.00 N ATOM 736 CA LYS A 47 -10.026 6.505 -6.672 1.00 0.00 C ATOM 737 C LYS A 47 -11.291 6.824 -5.874 1.00 0.00 C ATOM 738 O LYS A 47 -11.839 5.957 -5.190 1.00 0.00 O ATOM 739 CB LYS A 47 -10.415 5.925 -8.039 1.00 0.00 C ATOM 740 CG LYS A 47 -9.654 6.528 -9.213 1.00 0.00 C ATOM 741 CD LYS A 47 -9.604 5.567 -10.392 1.00 0.00 C ATOM 742 CE LYS A 47 -9.528 6.302 -11.724 1.00 0.00 C ATOM 743 NZ LYS A 47 -8.369 5.852 -12.550 1.00 0.00 N ATOM 0 H LYS A 47 -9.661 4.971 -5.281 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.462 7.426 -6.822 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.246 4.848 -8.026 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -11.483 6.078 -8.196 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -10.132 7.458 -9.520 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.640 6.778 -8.902 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -8.739 4.912 -10.289 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.489 4.931 -10.379 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -10.452 6.141 -12.279 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.448 7.374 -11.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.224 6.517 -13.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.513 5.821 -11.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.561 4.904 -12.931 1.00 0.00 H new ATOM 757 N ILE A 48 -11.760 8.070 -5.977 1.00 0.00 N ATOM 758 CA ILE A 48 -12.971 8.500 -5.277 1.00 0.00 C ATOM 759 C ILE A 48 -13.869 9.315 -6.209 1.00 0.00 C ATOM 760 O ILE A 48 -13.466 10.368 -6.709 1.00 0.00 O ATOM 761 CB ILE A 48 -12.648 9.340 -4.017 1.00 0.00 C ATOM 762 CG1 ILE A 48 -11.572 8.654 -3.168 1.00 0.00 C ATOM 763 CG2 ILE A 48 -13.911 9.563 -3.192 1.00 0.00 C ATOM 764 CD1 ILE A 48 -10.948 9.565 -2.130 1.00 0.00 C ATOM 0 H ILE A 48 -11.319 8.798 -6.539 1.00 0.00 H new ATOM 0 HA ILE A 48 -13.491 7.596 -4.960 1.00 0.00 H new ATOM 0 HB ILE A 48 -12.264 10.308 -4.339 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -12.012 7.792 -2.666 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -10.789 8.275 -3.825 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -13.669 10.155 -2.309 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -14.649 10.093 -3.793 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -14.318 8.600 -2.883 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -10.196 9.013 -1.567 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -10.479 10.414 -2.626 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -11.720 9.924 -1.449 1.00 0.00 H new ATOM 776 N ASN A 49 -15.084 8.810 -6.441 1.00 0.00 N ATOM 777 CA ASN A 49 -16.051 9.468 -7.321 1.00 0.00 C ATOM 778 C ASN A 49 -15.469 9.674 -8.725 1.00 0.00 C ATOM 779 O ASN A 49 -15.759 10.671 -9.388 1.00 0.00 O ATOM 780 CB ASN A 49 -16.501 10.815 -6.734 1.00 0.00 C ATOM 781 CG ASN A 49 -16.948 10.716 -5.284 1.00 0.00 C ATOM 782 OD1 ASN A 49 -17.626 9.765 -4.895 1.00 0.00 O ATOM 783 ND2 ASN A 49 -16.572 11.704 -4.475 1.00 0.00 N ATOM 0 H ASN A 49 -15.422 7.941 -6.028 1.00 0.00 H new ATOM 0 HA ASN A 49 -16.920 8.815 -7.400 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -15.680 11.528 -6.807 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -17.321 11.210 -7.334 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -16.846 11.691 -3.493 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -16.010 12.474 -4.838 1.00 0.00 H new ATOM 790 N GLY A 50 -14.645 8.721 -9.171 1.00 0.00 N ATOM 791 CA GLY A 50 -14.034 8.818 -10.489 1.00 0.00 C ATOM 792 C GLY A 50 -12.846 9.768 -10.524 1.00 0.00 C ATOM 793 O GLY A 50 -12.635 10.467 -11.516 1.00 0.00 O ATOM 0 H GLY A 50 -14.391 7.886 -8.643 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -13.710 7.827 -10.807 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -14.782 9.154 -11.207 1.00 0.00 H new ATOM 797 N THR A 51 -12.066 9.794 -9.441 1.00 0.00 N ATOM 798 CA THR A 51 -10.896 10.667 -9.358 1.00 0.00 C ATOM 799 C THR A 51 -9.783 10.004 -8.549 1.00 0.00 C ATOM 800 O THR A 51 -9.996 9.589 -7.408 1.00 0.00 O ATOM 801 CB THR A 51 -11.272 12.016 -8.728 1.00 0.00 C ATOM 802 OG1 THR A 51 -12.644 12.309 -8.931 1.00 0.00 O ATOM 803 CG2 THR A 51 -10.473 13.178 -9.282 1.00 0.00 C ATOM 0 H THR A 51 -12.224 9.221 -8.612 1.00 0.00 H new ATOM 0 HA THR A 51 -10.533 10.842 -10.371 1.00 0.00 H new ATOM 0 HB THR A 51 -11.046 11.906 -7.667 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.187 11.773 -8.316 1.00 0.00 H new ATOM 0 HG21 THR A 51 -10.788 14.101 -8.795 1.00 0.00 H new ATOM 0 HG22 THR A 51 -9.412 13.012 -9.095 1.00 0.00 H new ATOM 0 HG23 THR A 51 -10.644 13.258 -10.356 1.00 0.00 H new ATOM 811 N VAL A 52 -8.594 9.909 -9.150 1.00 0.00 N ATOM 812 CA VAL A 52 -7.442 9.295 -8.488 1.00 0.00 C ATOM 813 C VAL A 52 -6.922 10.182 -7.359 1.00 0.00 C ATOM 814 O VAL A 52 -6.772 11.392 -7.533 1.00 0.00 O ATOM 815 CB VAL A 52 -6.285 9.022 -9.481 1.00 0.00 C ATOM 816 CG1 VAL A 52 -5.198 8.187 -8.817 1.00 0.00 C ATOM 817 CG2 VAL A 52 -6.798 8.333 -10.739 1.00 0.00 C ATOM 0 H VAL A 52 -8.405 10.249 -10.093 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.788 8.345 -8.080 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.855 9.980 -9.773 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.393 8.005 -9.529 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.804 8.723 -7.953 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.618 7.235 -8.493 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.966 8.152 -11.420 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.260 7.383 -10.471 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.535 8.970 -11.228 1.00 0.00 H new ATOM 827 N THR A 53 -6.646 9.573 -6.205 1.00 0.00 N ATOM 828 CA THR A 53 -6.138 10.312 -5.049 1.00 0.00 C ATOM 829 C THR A 53 -4.705 9.904 -4.716 1.00 0.00 C ATOM 830 O THR A 53 -4.322 9.840 -3.546 1.00 0.00 O ATOM 831 CB THR A 53 -7.046 10.106 -3.832 1.00 0.00 C ATOM 832 OG1 THR A 53 -7.721 8.861 -3.899 1.00 0.00 O ATOM 833 CG2 THR A 53 -8.091 11.186 -3.686 1.00 0.00 C ATOM 0 H THR A 53 -6.765 8.573 -6.046 1.00 0.00 H new ATOM 0 HA THR A 53 -6.137 11.371 -5.308 1.00 0.00 H new ATOM 0 HB THR A 53 -6.380 10.139 -2.970 1.00 0.00 H new ATOM 0 HG1 THR A 53 -8.292 8.755 -3.109 1.00 0.00 H new ATOM 0 HG21 THR A 53 -8.702 10.984 -2.806 1.00 0.00 H new ATOM 0 HG22 THR A 53 -7.601 12.153 -3.573 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.725 11.201 -4.573 1.00 0.00 H new ATOM 841 N GLU A 54 -3.906 9.648 -5.753 1.00 0.00 N ATOM 842 CA GLU A 54 -2.514 9.269 -5.569 1.00 0.00 C ATOM 843 C GLU A 54 -1.622 10.500 -5.679 1.00 0.00 C ATOM 844 O GLU A 54 -1.891 11.403 -6.474 1.00 0.00 O ATOM 845 CB GLU A 54 -2.100 8.218 -6.600 1.00 0.00 C ATOM 846 CG GLU A 54 -1.658 6.901 -5.980 1.00 0.00 C ATOM 847 CD GLU A 54 -2.515 5.730 -6.421 1.00 0.00 C ATOM 848 OE1 GLU A 54 -3.554 5.476 -5.775 1.00 0.00 O ATOM 849 OE2 GLU A 54 -2.145 5.065 -7.411 1.00 0.00 O ATOM 0 H GLU A 54 -4.204 9.698 -6.727 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.399 8.835 -4.576 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.937 8.031 -7.273 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.286 8.616 -7.206 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.620 6.708 -6.249 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.695 6.985 -4.894 1.00 0.00 H new ATOM 856 N ASN A 55 -0.568 10.533 -4.865 1.00 0.00 N ATOM 857 CA ASN A 55 0.373 11.653 -4.847 1.00 0.00 C ATOM 858 C ASN A 55 -0.277 12.941 -4.315 1.00 0.00 C ATOM 859 O ASN A 55 0.317 14.018 -4.400 1.00 0.00 O ATOM 860 CB ASN A 55 0.950 11.901 -6.245 1.00 0.00 C ATOM 861 CG ASN A 55 1.574 10.656 -6.855 1.00 0.00 C ATOM 862 OD1 ASN A 55 0.956 9.592 -6.900 1.00 0.00 O ATOM 863 ND2 ASN A 55 2.805 10.784 -7.337 1.00 0.00 N ATOM 0 H ASN A 55 -0.343 9.790 -4.204 1.00 0.00 H new ATOM 0 HA ASN A 55 1.181 11.379 -4.169 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.158 12.263 -6.901 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.702 12.688 -6.188 1.00 0.00 H new ATOM 0 HD21 ASN A 55 3.272 9.983 -7.763 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.284 11.683 -7.281 1.00 0.00 H new ATOM 870 N MET A 56 -1.491 12.831 -3.766 1.00 0.00 N ATOM 871 CA MET A 56 -2.196 13.992 -3.229 1.00 0.00 C ATOM 872 C MET A 56 -2.079 14.057 -1.708 1.00 0.00 C ATOM 873 O MET A 56 -1.743 13.063 -1.057 1.00 0.00 O ATOM 874 CB MET A 56 -3.671 13.948 -3.635 1.00 0.00 C ATOM 875 CG MET A 56 -4.140 15.201 -4.357 1.00 0.00 C ATOM 876 SD MET A 56 -4.137 15.011 -6.152 1.00 0.00 S ATOM 877 CE MET A 56 -5.177 13.564 -6.343 1.00 0.00 C ATOM 0 H MET A 56 -2.002 11.952 -3.683 1.00 0.00 H new ATOM 0 HA MET A 56 -1.733 14.887 -3.645 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.837 13.084 -4.279 1.00 0.00 H new ATOM 0 HB3 MET A 56 -4.281 13.803 -2.743 1.00 0.00 H new ATOM 0 HG2 MET A 56 -5.147 15.452 -4.024 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.496 16.036 -4.083 1.00 0.00 H new ATOM 0 HE1 MET A 56 -5.728 13.633 -7.281 1.00 0.00 H new ATOM 0 HE2 MET A 56 -4.556 12.668 -6.352 1.00 0.00 H new ATOM 0 HE3 MET A 56 -5.881 13.509 -5.512 1.00 0.00 H new ATOM 887 N SER A 57 -2.364 15.229 -1.147 1.00 0.00 N ATOM 888 CA SER A 57 -2.299 15.429 0.298 1.00 0.00 C ATOM 889 C SER A 57 -3.481 14.752 0.988 1.00 0.00 C ATOM 890 O SER A 57 -4.577 14.682 0.430 1.00 0.00 O ATOM 891 CB SER A 57 -2.283 16.926 0.629 1.00 0.00 C ATOM 892 OG SER A 57 -1.497 17.648 -0.306 1.00 0.00 O ATOM 0 H SER A 57 -2.643 16.057 -1.673 1.00 0.00 H new ATOM 0 HA SER A 57 -1.377 14.977 0.665 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.302 17.313 0.627 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.887 17.075 1.634 1.00 0.00 H new ATOM 0 HG SER A 57 -1.505 18.600 -0.074 1.00 0.00 H new ATOM 898 N LEU A 58 -3.254 14.259 2.206 1.00 0.00 N ATOM 899 CA LEU A 58 -4.309 13.593 2.972 1.00 0.00 C ATOM 900 C LEU A 58 -5.531 14.500 3.115 1.00 0.00 C ATOM 901 O LEU A 58 -6.664 14.021 3.182 1.00 0.00 O ATOM 902 CB LEU A 58 -3.795 13.190 4.358 1.00 0.00 C ATOM 903 CG LEU A 58 -4.804 12.439 5.233 1.00 0.00 C ATOM 904 CD1 LEU A 58 -4.911 10.984 4.800 1.00 0.00 C ATOM 905 CD2 LEU A 58 -4.411 12.534 6.701 1.00 0.00 C ATOM 0 H LEU A 58 -2.353 14.308 2.682 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.603 12.695 2.429 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.911 12.565 4.233 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.478 14.089 4.886 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.781 12.905 5.108 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.632 10.468 5.434 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.240 10.937 3.762 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.937 10.504 4.894 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.139 11.995 7.308 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.424 12.094 6.843 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.389 13.581 7.005 1.00 0.00 H new ATOM 917 N THR A 59 -5.290 15.812 3.157 1.00 0.00 N ATOM 918 CA THR A 59 -6.367 16.791 3.287 1.00 0.00 C ATOM 919 C THR A 59 -7.317 16.719 2.090 1.00 0.00 C ATOM 920 O THR A 59 -8.534 16.817 2.253 1.00 0.00 O ATOM 921 CB THR A 59 -5.796 18.207 3.413 1.00 0.00 C ATOM 922 OG1 THR A 59 -4.442 18.174 3.830 1.00 0.00 O ATOM 923 CG2 THR A 59 -6.555 19.074 4.395 1.00 0.00 C ATOM 0 H THR A 59 -4.357 16.220 3.103 1.00 0.00 H new ATOM 0 HA THR A 59 -6.927 16.553 4.191 1.00 0.00 H new ATOM 0 HB THR A 59 -5.890 18.641 2.417 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.099 19.089 3.901 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.098 20.063 4.436 1.00 0.00 H new ATOM 0 HG22 THR A 59 -7.592 19.166 4.073 1.00 0.00 H new ATOM 0 HG23 THR A 59 -6.522 18.618 5.384 1.00 0.00 H new ATOM 931 N ASP A 60 -6.751 16.538 0.894 1.00 0.00 N ATOM 932 CA ASP A 60 -7.545 16.444 -0.329 1.00 0.00 C ATOM 933 C ASP A 60 -8.550 15.297 -0.236 1.00 0.00 C ATOM 934 O ASP A 60 -9.713 15.449 -0.612 1.00 0.00 O ATOM 935 CB ASP A 60 -6.629 16.237 -1.540 1.00 0.00 C ATOM 936 CG ASP A 60 -6.137 17.546 -2.129 1.00 0.00 C ATOM 937 OD1 ASP A 60 -5.260 18.184 -1.508 1.00 0.00 O ATOM 938 OD2 ASP A 60 -6.622 17.929 -3.215 1.00 0.00 O ATOM 0 H ASP A 60 -5.745 16.454 0.749 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.094 17.378 -0.451 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.773 15.631 -1.244 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -7.166 15.677 -2.306 1.00 0.00 H new ATOM 943 N ALA A 61 -8.098 14.153 0.283 1.00 0.00 N ATOM 944 CA ALA A 61 -8.965 12.988 0.440 1.00 0.00 C ATOM 945 C ALA A 61 -10.177 13.334 1.301 1.00 0.00 C ATOM 946 O ALA A 61 -11.294 12.901 1.019 1.00 0.00 O ATOM 947 CB ALA A 61 -8.194 11.827 1.050 1.00 0.00 C ATOM 0 H ALA A 61 -7.139 14.011 0.600 1.00 0.00 H new ATOM 0 HA ALA A 61 -9.317 12.688 -0.547 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -8.856 10.968 1.159 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -7.360 11.562 0.400 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -7.812 12.118 2.029 1.00 0.00 H new ATOM 953 N LYS A 62 -9.945 14.135 2.343 1.00 0.00 N ATOM 954 CA LYS A 62 -11.016 14.564 3.240 1.00 0.00 C ATOM 955 C LYS A 62 -12.030 15.424 2.485 1.00 0.00 C ATOM 956 O LYS A 62 -13.236 15.310 2.702 1.00 0.00 O ATOM 957 CB LYS A 62 -10.441 15.349 4.427 1.00 0.00 C ATOM 958 CG LYS A 62 -9.273 14.656 5.112 1.00 0.00 C ATOM 959 CD LYS A 62 -8.943 15.301 6.450 1.00 0.00 C ATOM 960 CE LYS A 62 -9.134 14.326 7.600 1.00 0.00 C ATOM 961 NZ LYS A 62 -9.492 15.020 8.867 1.00 0.00 N ATOM 0 H LYS A 62 -9.024 14.499 2.585 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.521 13.676 3.620 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.116 16.330 4.079 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -11.232 15.516 5.158 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.513 13.604 5.264 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -8.397 14.693 4.464 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.912 15.656 6.440 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.579 16.173 6.601 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.917 13.613 7.344 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -8.218 13.754 7.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -9.613 14.318 9.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -8.733 15.682 9.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -10.380 15.545 8.736 1.00 0.00 H new ATOM 975 N THR A 63 -11.525 16.279 1.593 1.00 0.00 N ATOM 976 CA THR A 63 -12.379 17.158 0.794 1.00 0.00 C ATOM 977 C THR A 63 -13.306 16.351 -0.116 1.00 0.00 C ATOM 978 O THR A 63 -14.478 16.691 -0.272 1.00 0.00 O ATOM 979 CB THR A 63 -11.531 18.108 -0.057 1.00 0.00 C ATOM 980 OG1 THR A 63 -10.238 18.285 0.500 1.00 0.00 O ATOM 981 CG2 THR A 63 -12.151 19.478 -0.227 1.00 0.00 C ATOM 0 H THR A 63 -10.527 16.381 1.406 1.00 0.00 H new ATOM 0 HA THR A 63 -12.987 17.740 1.486 1.00 0.00 H new ATOM 0 HB THR A 63 -11.470 17.629 -1.034 1.00 0.00 H new ATOM 0 HG1 THR A 63 -9.719 18.895 -0.065 1.00 0.00 H new ATOM 0 HG21 THR A 63 -11.498 20.099 -0.840 1.00 0.00 H new ATOM 0 HG22 THR A 63 -13.121 19.380 -0.714 1.00 0.00 H new ATOM 0 HG23 THR A 63 -12.281 19.942 0.751 1.00 0.00 H new ATOM 989 N LEU A 64 -12.776 15.280 -0.714 1.00 0.00 N ATOM 990 CA LEU A 64 -13.568 14.430 -1.603 1.00 0.00 C ATOM 991 C LEU A 64 -14.814 13.914 -0.886 1.00 0.00 C ATOM 992 O LEU A 64 -15.876 13.775 -1.493 1.00 0.00 O ATOM 993 CB LEU A 64 -12.729 13.254 -2.108 1.00 0.00 C ATOM 994 CG LEU A 64 -11.983 13.512 -3.418 1.00 0.00 C ATOM 995 CD1 LEU A 64 -10.614 12.850 -3.391 1.00 0.00 C ATOM 996 CD2 LEU A 64 -12.799 13.018 -4.606 1.00 0.00 C ATOM 0 H LEU A 64 -11.807 14.983 -0.599 1.00 0.00 H new ATOM 0 HA LEU A 64 -13.881 15.030 -2.457 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -12.003 12.988 -1.340 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -13.382 12.392 -2.242 1.00 0.00 H new ATOM 0 HG LEU A 64 -11.840 14.587 -3.527 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.097 13.044 -4.331 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.030 13.256 -2.565 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.732 11.775 -3.257 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -12.252 13.210 -5.529 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -12.976 11.947 -4.506 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.754 13.542 -4.635 1.00 0.00 H new ATOM 1008 N ILE A 65 -14.675 13.649 0.413 1.00 0.00 N ATOM 1009 CA ILE A 65 -15.787 13.167 1.221 1.00 0.00 C ATOM 1010 C ILE A 65 -16.776 14.299 1.509 1.00 0.00 C ATOM 1011 O ILE A 65 -17.981 14.066 1.631 1.00 0.00 O ATOM 1012 CB ILE A 65 -15.302 12.557 2.556 1.00 0.00 C ATOM 1013 CG1 ILE A 65 -14.140 11.583 2.315 1.00 0.00 C ATOM 1014 CG2 ILE A 65 -16.451 11.853 3.265 1.00 0.00 C ATOM 1015 CD1 ILE A 65 -13.434 11.147 3.582 1.00 0.00 C ATOM 0 H ILE A 65 -13.800 13.761 0.926 1.00 0.00 H new ATOM 0 HA ILE A 65 -16.285 12.386 0.647 1.00 0.00 H new ATOM 0 HB ILE A 65 -14.944 13.365 3.194 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -14.519 10.701 1.800 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -13.416 12.054 1.650 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -16.094 11.429 4.203 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -17.246 12.570 3.470 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -16.837 11.056 2.630 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -12.626 10.460 3.330 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -13.023 12.020 4.089 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -14.144 10.646 4.240 1.00 0.00 H new ATOM 1027 N GLU A 66 -16.262 15.528 1.607 1.00 0.00 N ATOM 1028 CA GLU A 66 -17.104 16.694 1.869 1.00 0.00 C ATOM 1029 C GLU A 66 -17.894 17.088 0.621 1.00 0.00 C ATOM 1030 O GLU A 66 -19.075 17.425 0.703 1.00 0.00 O ATOM 1031 CB GLU A 66 -16.252 17.878 2.334 1.00 0.00 C ATOM 1032 CG GLU A 66 -15.491 17.623 3.626 1.00 0.00 C ATOM 1033 CD GLU A 66 -14.389 18.639 3.863 1.00 0.00 C ATOM 1034 OE1 GLU A 66 -14.714 19.814 4.137 1.00 0.00 O ATOM 1035 OE2 GLU A 66 -13.202 18.261 3.772 1.00 0.00 O ATOM 0 H GLU A 66 -15.269 15.739 1.509 1.00 0.00 H new ATOM 0 HA GLU A 66 -17.807 16.428 2.659 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.540 18.130 1.549 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -16.897 18.746 2.470 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -16.187 17.645 4.464 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.058 16.623 3.597 1.00 0.00 H new ATOM 1042 N ARG A 67 -17.231 17.041 -0.536 1.00 0.00 N ATOM 1043 CA ARG A 67 -17.868 17.390 -1.805 1.00 0.00 C ATOM 1044 C ARG A 67 -18.995 16.412 -2.151 1.00 0.00 C ATOM 1045 O ARG A 67 -19.924 16.765 -2.879 1.00 0.00 O ATOM 1046 CB ARG A 67 -16.832 17.416 -2.934 1.00 0.00 C ATOM 1047 CG ARG A 67 -17.038 18.553 -3.924 1.00 0.00 C ATOM 1048 CD ARG A 67 -15.719 19.016 -4.523 1.00 0.00 C ATOM 1049 NE ARG A 67 -15.807 20.368 -5.080 1.00 0.00 N ATOM 1050 CZ ARG A 67 -14.750 21.147 -5.327 1.00 0.00 C ATOM 1051 NH1 ARG A 67 -13.517 20.713 -5.075 1.00 0.00 N ATOM 1052 NH2 ARG A 67 -14.925 22.364 -5.830 1.00 0.00 N ATOM 0 H ARG A 67 -16.253 16.764 -0.619 1.00 0.00 H new ATOM 0 HA ARG A 67 -18.302 18.384 -1.696 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -15.836 17.500 -2.500 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -16.867 16.468 -3.470 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -17.706 18.226 -4.721 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -17.525 19.390 -3.423 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -14.945 18.991 -3.756 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -15.414 18.322 -5.306 1.00 0.00 H new ATOM 0 HE ARG A 67 -16.733 20.738 -5.293 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -13.374 19.779 -4.690 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -12.716 21.314 -5.267 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -15.866 22.704 -6.028 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -14.118 22.959 -6.019 1.00 0.00 H new ATOM 1066 N SER A 68 -18.910 15.183 -1.629 1.00 0.00 N ATOM 1067 CA SER A 68 -19.924 14.164 -1.890 1.00 0.00 C ATOM 1068 C SER A 68 -21.287 14.585 -1.339 1.00 0.00 C ATOM 1069 O SER A 68 -21.508 14.579 -0.125 1.00 0.00 O ATOM 1070 CB SER A 68 -19.505 12.829 -1.276 1.00 0.00 C ATOM 1071 OG SER A 68 -18.391 12.285 -1.960 1.00 0.00 O ATOM 0 H SER A 68 -18.149 14.874 -1.024 1.00 0.00 H new ATOM 0 HA SER A 68 -20.012 14.050 -2.970 1.00 0.00 H new ATOM 0 HB2 SER A 68 -19.257 12.970 -0.224 1.00 0.00 H new ATOM 0 HB3 SER A 68 -20.339 12.128 -1.316 1.00 0.00 H new ATOM 0 HG SER A 68 -17.594 12.822 -1.766 1.00 0.00 H new ATOM 1077 N LYS A 69 -22.196 14.953 -2.242 1.00 0.00 N ATOM 1078 CA LYS A 69 -23.537 15.380 -1.857 1.00 0.00 C ATOM 1079 C LYS A 69 -24.550 14.260 -2.092 1.00 0.00 C ATOM 1080 O LYS A 69 -25.255 14.249 -3.104 1.00 0.00 O ATOM 1081 CB LYS A 69 -23.937 16.635 -2.642 1.00 0.00 C ATOM 1082 CG LYS A 69 -23.823 17.923 -1.840 1.00 0.00 C ATOM 1083 CD LYS A 69 -22.387 18.192 -1.412 1.00 0.00 C ATOM 1084 CE LYS A 69 -21.718 19.221 -2.312 1.00 0.00 C ATOM 1085 NZ LYS A 69 -20.627 19.957 -1.612 1.00 0.00 N ATOM 0 H LYS A 69 -22.025 14.963 -3.248 1.00 0.00 H new ATOM 0 HA LYS A 69 -23.532 15.617 -0.793 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -23.308 16.713 -3.529 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -24.964 16.523 -2.989 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -24.187 18.758 -2.438 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -24.460 17.861 -0.958 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -22.374 18.546 -0.381 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -21.819 17.262 -1.437 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -21.311 18.722 -3.192 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -22.465 19.932 -2.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -19.953 20.327 -2.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -21.033 20.747 -1.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -20.133 19.311 -0.963 1.00 0.00 H new ATOM 1099 N GLY A 70 -24.614 13.318 -1.153 1.00 0.00 N ATOM 1100 CA GLY A 70 -25.541 12.204 -1.272 1.00 0.00 C ATOM 1101 C GLY A 70 -24.834 10.867 -1.389 1.00 0.00 C ATOM 1102 O GLY A 70 -24.483 10.257 -0.381 1.00 0.00 O ATOM 0 H GLY A 70 -24.039 13.307 -0.310 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -26.198 12.188 -0.403 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -26.173 12.354 -2.147 1.00 0.00 H new ATOM 1106 N LYS A 71 -24.629 10.410 -2.623 1.00 0.00 N ATOM 1107 CA LYS A 71 -23.962 9.133 -2.870 1.00 0.00 C ATOM 1108 C LYS A 71 -22.444 9.308 -2.947 1.00 0.00 C ATOM 1109 O LYS A 71 -21.952 10.302 -3.483 1.00 0.00 O ATOM 1110 CB LYS A 71 -24.481 8.504 -4.167 1.00 0.00 C ATOM 1111 CG LYS A 71 -25.953 8.121 -4.118 1.00 0.00 C ATOM 1112 CD LYS A 71 -26.501 7.828 -5.507 1.00 0.00 C ATOM 1113 CE LYS A 71 -27.917 7.273 -5.446 1.00 0.00 C ATOM 1114 NZ LYS A 71 -27.934 5.824 -5.097 1.00 0.00 N ATOM 0 H LYS A 71 -24.915 10.905 -3.468 1.00 0.00 H new ATOM 0 HA LYS A 71 -24.188 8.470 -2.035 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -24.325 9.204 -4.987 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -23.891 7.615 -4.390 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -26.081 7.244 -3.483 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -26.525 8.930 -3.663 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -26.493 8.741 -6.102 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -25.851 7.113 -6.012 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -28.493 7.831 -4.708 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -28.406 7.420 -6.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -28.779 5.378 -5.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -27.082 5.365 -5.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -27.953 5.716 -4.063 1.00 0.00 H new ATOM 1128 N LEU A 72 -21.712 8.333 -2.408 1.00 0.00 N ATOM 1129 CA LEU A 72 -20.252 8.367 -2.412 1.00 0.00 C ATOM 1130 C LEU A 72 -19.680 7.151 -3.141 1.00 0.00 C ATOM 1131 O LEU A 72 -20.149 6.029 -2.951 1.00 0.00 O ATOM 1132 CB LEU A 72 -19.718 8.405 -0.975 1.00 0.00 C ATOM 1133 CG LEU A 72 -18.702 9.512 -0.676 1.00 0.00 C ATOM 1134 CD1 LEU A 72 -18.299 9.485 0.791 1.00 0.00 C ATOM 1135 CD2 LEU A 72 -17.473 9.372 -1.563 1.00 0.00 C ATOM 0 H LEU A 72 -22.110 7.507 -1.961 1.00 0.00 H new ATOM 0 HA LEU A 72 -19.937 9.268 -2.938 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -20.563 8.518 -0.295 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -19.256 7.443 -0.752 1.00 0.00 H new ATOM 0 HG LEU A 72 -19.173 10.471 -0.891 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -17.577 10.278 0.985 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -19.181 9.637 1.413 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -17.850 8.520 1.027 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -16.766 10.169 -1.333 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -17.002 8.406 -1.383 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -17.770 9.441 -2.610 1.00 0.00 H new ATOM 1147 N LYS A 73 -18.664 7.382 -3.969 1.00 0.00 N ATOM 1148 CA LYS A 73 -18.024 6.304 -4.719 1.00 0.00 C ATOM 1149 C LYS A 73 -16.545 6.195 -4.352 1.00 0.00 C ATOM 1150 O LYS A 73 -15.800 7.171 -4.449 1.00 0.00 O ATOM 1151 CB LYS A 73 -18.178 6.536 -6.226 1.00 0.00 C ATOM 1152 CG LYS A 73 -19.290 5.715 -6.859 1.00 0.00 C ATOM 1153 CD LYS A 73 -20.072 6.524 -7.882 1.00 0.00 C ATOM 1154 CE LYS A 73 -20.284 5.746 -9.172 1.00 0.00 C ATOM 1155 NZ LYS A 73 -21.278 6.406 -10.064 1.00 0.00 N ATOM 0 H LYS A 73 -18.266 8.306 -4.138 1.00 0.00 H new ATOM 0 HA LYS A 73 -18.516 5.367 -4.456 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -18.373 7.594 -6.404 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -17.236 6.298 -6.720 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -18.864 4.834 -7.340 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -19.967 5.358 -6.082 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -21.038 6.804 -7.463 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -19.539 7.450 -8.099 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -19.334 5.649 -9.697 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -20.622 4.737 -8.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -21.393 5.844 -10.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -22.192 6.476 -9.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -20.944 7.359 -10.311 1.00 0.00 H new ATOM 1169 N MET A 74 -16.126 5.004 -3.926 1.00 0.00 N ATOM 1170 CA MET A 74 -14.737 4.769 -3.541 1.00 0.00 C ATOM 1171 C MET A 74 -14.201 3.487 -4.176 1.00 0.00 C ATOM 1172 O MET A 74 -14.755 2.406 -3.974 1.00 0.00 O ATOM 1173 CB MET A 74 -14.613 4.688 -2.016 1.00 0.00 C ATOM 1174 CG MET A 74 -14.276 6.017 -1.359 1.00 0.00 C ATOM 1175 SD MET A 74 -13.397 5.816 0.203 1.00 0.00 S ATOM 1176 CE MET A 74 -14.470 4.661 1.053 1.00 0.00 C ATOM 0 H MET A 74 -16.730 4.187 -3.839 1.00 0.00 H new ATOM 0 HA MET A 74 -14.142 5.607 -3.903 1.00 0.00 H new ATOM 0 HB2 MET A 74 -15.551 4.316 -1.603 1.00 0.00 H new ATOM 0 HB3 MET A 74 -13.842 3.961 -1.761 1.00 0.00 H new ATOM 0 HG2 MET A 74 -13.667 6.611 -2.041 1.00 0.00 H new ATOM 0 HG3 MET A 74 -15.196 6.575 -1.185 1.00 0.00 H new ATOM 0 HE1 MET A 74 -14.127 4.534 2.080 1.00 0.00 H new ATOM 0 HE2 MET A 74 -15.490 5.046 1.056 1.00 0.00 H new ATOM 0 HE3 MET A 74 -14.447 3.699 0.541 1.00 0.00 H new ATOM 1186 N VAL A 75 -13.120 3.618 -4.942 1.00 0.00 N ATOM 1187 CA VAL A 75 -12.500 2.475 -5.607 1.00 0.00 C ATOM 1188 C VAL A 75 -11.228 2.045 -4.881 1.00 0.00 C ATOM 1189 O VAL A 75 -10.388 2.878 -4.534 1.00 0.00 O ATOM 1190 CB VAL A 75 -12.162 2.794 -7.080 1.00 0.00 C ATOM 1191 CG1 VAL A 75 -11.750 1.530 -7.824 1.00 0.00 C ATOM 1192 CG2 VAL A 75 -13.342 3.463 -7.770 1.00 0.00 C ATOM 0 H VAL A 75 -12.654 4.508 -5.118 1.00 0.00 H new ATOM 0 HA VAL A 75 -13.223 1.660 -5.581 1.00 0.00 H new ATOM 0 HB VAL A 75 -11.321 3.487 -7.094 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -11.516 1.777 -8.860 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -10.871 1.097 -7.347 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -12.568 0.810 -7.799 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -13.083 3.679 -8.806 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -14.205 2.797 -7.743 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -13.585 4.393 -7.255 1.00 0.00 H new ATOM 1202 N VAL A 76 -11.098 0.739 -4.651 1.00 0.00 N ATOM 1203 CA VAL A 76 -9.932 0.186 -3.959 1.00 0.00 C ATOM 1204 C VAL A 76 -9.320 -0.979 -4.740 1.00 0.00 C ATOM 1205 O VAL A 76 -9.847 -1.384 -5.779 1.00 0.00 O ATOM 1206 CB VAL A 76 -10.307 -0.309 -2.546 1.00 0.00 C ATOM 1207 CG1 VAL A 76 -10.742 0.850 -1.661 1.00 0.00 C ATOM 1208 CG2 VAL A 76 -11.395 -1.368 -2.628 1.00 0.00 C ATOM 0 H VAL A 76 -11.787 0.042 -4.934 1.00 0.00 H new ATOM 0 HA VAL A 76 -9.201 0.991 -3.882 1.00 0.00 H new ATOM 0 HB VAL A 76 -9.423 -0.759 -2.094 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -11.001 0.475 -0.671 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -9.927 1.568 -1.575 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -11.611 1.339 -2.102 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -11.649 -1.707 -1.624 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -12.280 -0.944 -3.102 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -11.037 -2.213 -3.217 1.00 0.00 H new ATOM 1218 N GLN A 77 -8.214 -1.520 -4.225 1.00 0.00 N ATOM 1219 CA GLN A 77 -7.539 -2.646 -4.868 1.00 0.00 C ATOM 1220 C GLN A 77 -7.626 -3.904 -4.001 1.00 0.00 C ATOM 1221 O GLN A 77 -7.020 -3.976 -2.930 1.00 0.00 O ATOM 1222 CB GLN A 77 -6.072 -2.308 -5.172 1.00 0.00 C ATOM 1223 CG GLN A 77 -5.315 -1.673 -4.011 1.00 0.00 C ATOM 1224 CD GLN A 77 -3.815 -1.911 -4.089 1.00 0.00 C ATOM 1225 OE1 GLN A 77 -3.288 -2.292 -5.135 1.00 0.00 O ATOM 1226 NE2 GLN A 77 -3.115 -1.686 -2.980 1.00 0.00 N ATOM 0 H GLN A 77 -7.769 -1.196 -3.366 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.048 -2.842 -5.811 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -5.556 -3.221 -5.469 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -6.038 -1.630 -6.025 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -5.509 -0.600 -4.000 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -5.694 -2.075 -3.072 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -3.588 -1.371 -2.133 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -2.105 -1.829 -2.977 1.00 0.00 H new ATOM 1321 N THR B 1 -14.452 -4.116 -7.657 1.00 0.00 N ATOM 1322 CA THR B 1 -13.655 -3.383 -6.629 1.00 0.00 C ATOM 1323 C THR B 1 -14.091 -1.918 -6.512 1.00 0.00 C ATOM 1324 O THR B 1 -13.255 -1.021 -6.383 1.00 0.00 O ATOM 1325 CB THR B 1 -12.172 -3.464 -7.010 1.00 0.00 C ATOM 1326 OG1 THR B 1 -11.990 -3.186 -8.389 1.00 0.00 O ATOM 1327 CG2 THR B 1 -11.548 -4.816 -6.726 1.00 0.00 C ATOM 0 H1 THR B 1 -14.095 -5.089 -7.744 1.00 0.00 H new ATOM 0 H2 THR B 1 -15.452 -4.138 -7.371 1.00 0.00 H new ATOM 0 H3 THR B 1 -14.365 -3.632 -8.574 1.00 0.00 H new ATOM 0 HA THR B 1 -13.823 -3.848 -5.658 1.00 0.00 H new ATOM 0 HB THR B 1 -11.677 -2.718 -6.388 1.00 0.00 H new ATOM 0 HG1 THR B 1 -11.037 -3.241 -8.611 1.00 0.00 H new ATOM 0 HG21 THR B 1 -10.498 -4.801 -7.020 1.00 0.00 H new ATOM 0 HG22 THR B 1 -11.624 -5.035 -5.661 1.00 0.00 H new ATOM 0 HG23 THR B 1 -12.073 -5.585 -7.293 1.00 0.00 H new ATOM 1337 N LYS B 2 -15.403 -1.680 -6.555 1.00 0.00 N ATOM 1338 CA LYS B 2 -15.943 -0.327 -6.452 1.00 0.00 C ATOM 1339 C LYS B 2 -16.975 -0.240 -5.332 1.00 0.00 C ATOM 1340 O LYS B 2 -17.910 -1.041 -5.276 1.00 0.00 O ATOM 1341 CB LYS B 2 -16.573 0.100 -7.782 1.00 0.00 C ATOM 1342 CG LYS B 2 -15.558 0.345 -8.888 1.00 0.00 C ATOM 1343 CD LYS B 2 -16.228 0.839 -10.162 1.00 0.00 C ATOM 1344 CE LYS B 2 -15.269 0.830 -11.345 1.00 0.00 C ATOM 1345 NZ LYS B 2 -15.946 0.425 -12.610 1.00 0.00 N ATOM 0 H LYS B 2 -16.110 -2.408 -6.660 1.00 0.00 H new ATOM 0 HA LYS B 2 -15.121 0.349 -6.218 1.00 0.00 H new ATOM 0 HB2 LYS B 2 -17.272 -0.671 -8.107 1.00 0.00 H new ATOM 0 HB3 LYS B 2 -17.152 1.010 -7.624 1.00 0.00 H new ATOM 0 HG2 LYS B 2 -14.824 1.079 -8.554 1.00 0.00 H new ATOM 0 HG3 LYS B 2 -15.015 -0.577 -9.095 1.00 0.00 H new ATOM 0 HD2 LYS B 2 -17.089 0.210 -10.387 1.00 0.00 H new ATOM 0 HD3 LYS B 2 -16.604 1.850 -10.006 1.00 0.00 H new ATOM 0 HE2 LYS B 2 -14.835 1.822 -11.468 1.00 0.00 H new ATOM 0 HE3 LYS B 2 -14.446 0.146 -11.139 1.00 0.00 H new ATOM 0 HZ1 LYS B 2 -15.258 0.432 -13.390 1.00 0.00 H new ATOM 0 HZ2 LYS B 2 -16.338 -0.532 -12.503 1.00 0.00 H new ATOM 0 HZ3 LYS B 2 -16.715 1.092 -12.821 1.00 0.00 H new ATOM 1359 N VAL B 3 -16.795 0.734 -4.442 1.00 0.00 N ATOM 1360 CA VAL B 3 -17.706 0.931 -3.318 1.00 0.00 C ATOM 1361 C VAL B 3 -18.637 2.114 -3.569 1.00 0.00 C ATOM 1362 O VAL B 3 -18.183 3.204 -3.917 1.00 0.00 O ATOM 1363 CB VAL B 3 -16.934 1.174 -2.002 1.00 0.00 C ATOM 1364 CG1 VAL B 3 -17.893 1.232 -0.822 1.00 0.00 C ATOM 1365 CG2 VAL B 3 -15.876 0.099 -1.785 1.00 0.00 C ATOM 0 H VAL B 3 -16.024 1.401 -4.479 1.00 0.00 H new ATOM 0 HA VAL B 3 -18.294 0.018 -3.224 1.00 0.00 H new ATOM 0 HB VAL B 3 -16.426 2.135 -2.079 1.00 0.00 H new ATOM 0 HG11 VAL B 3 -17.331 1.404 0.096 1.00 0.00 H new ATOM 0 HG12 VAL B 3 -18.603 2.045 -0.970 1.00 0.00 H new ATOM 0 HG13 VAL B 3 -18.433 0.288 -0.745 1.00 0.00 H new ATOM 0 HG21 VAL B 3 -15.347 0.293 -0.852 1.00 0.00 H new ATOM 0 HG22 VAL B 3 -16.356 -0.878 -1.734 1.00 0.00 H new ATOM 0 HG23 VAL B 3 -15.168 0.113 -2.614 1.00 0.00 H new ATOM 1375 N THR B 4 -19.938 1.896 -3.385 1.00 0.00 N ATOM 1376 CA THR B 4 -20.924 2.954 -3.588 1.00 0.00 C ATOM 1377 C THR B 4 -21.831 3.097 -2.366 1.00 0.00 C ATOM 1378 O THR B 4 -22.675 2.239 -2.103 1.00 0.00 O ATOM 1379 CB THR B 4 -21.764 2.674 -4.839 1.00 0.00 C ATOM 1380 OG1 THR B 4 -20.934 2.437 -5.963 1.00 0.00 O ATOM 1381 CG2 THR B 4 -22.703 3.809 -5.193 1.00 0.00 C ATOM 0 H THR B 4 -20.332 1.000 -3.097 1.00 0.00 H new ATOM 0 HA THR B 4 -20.387 3.892 -3.729 1.00 0.00 H new ATOM 0 HB THR B 4 -22.357 1.792 -4.596 1.00 0.00 H new ATOM 0 HG1 THR B 4 -21.491 2.259 -6.749 1.00 0.00 H new ATOM 0 HG21 THR B 4 -23.268 3.548 -6.088 1.00 0.00 H new ATOM 0 HG22 THR B 4 -23.392 3.983 -4.366 1.00 0.00 H new ATOM 0 HG23 THR B 4 -22.125 4.714 -5.380 1.00 0.00 H new ATOM 1389 N LEU B 5 -21.653 4.191 -1.629 1.00 0.00 N ATOM 1390 CA LEU B 5 -22.453 4.463 -0.437 1.00 0.00 C ATOM 1391 C LEU B 5 -23.522 5.513 -0.734 1.00 0.00 C ATOM 1392 O LEU B 5 -23.353 6.342 -1.629 1.00 0.00 O ATOM 1393 CB LEU B 5 -21.557 4.949 0.707 1.00 0.00 C ATOM 1394 CG LEU B 5 -20.460 3.973 1.140 1.00 0.00 C ATOM 1395 CD1 LEU B 5 -19.439 4.678 2.024 1.00 0.00 C ATOM 1396 CD2 LEU B 5 -21.063 2.774 1.862 1.00 0.00 C ATOM 0 H LEU B 5 -20.958 4.907 -1.838 1.00 0.00 H new ATOM 0 HA LEU B 5 -22.943 3.536 -0.138 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -21.088 5.886 0.406 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -22.185 5.169 1.570 1.00 0.00 H new ATOM 0 HG LEU B 5 -19.949 3.610 0.248 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -18.666 3.970 2.323 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -18.984 5.499 1.471 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -19.935 5.070 2.912 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -20.267 2.092 2.162 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -21.601 3.115 2.746 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -21.752 2.256 1.195 1.00 0.00 H new ATOM 1408 N VAL B 6 -24.622 5.478 0.020 1.00 0.00 N ATOM 1409 CA VAL B 6 -25.710 6.434 -0.171 1.00 0.00 C ATOM 1410 C VAL B 6 -26.054 7.149 1.134 1.00 0.00 C ATOM 1411 O VAL B 6 -26.766 6.608 1.982 1.00 0.00 O ATOM 1412 CB VAL B 6 -26.979 5.752 -0.724 1.00 0.00 C ATOM 1413 CG1 VAL B 6 -28.002 6.794 -1.151 1.00 0.00 C ATOM 1414 CG2 VAL B 6 -26.632 4.826 -1.883 1.00 0.00 C ATOM 0 H VAL B 6 -24.781 4.800 0.765 1.00 0.00 H new ATOM 0 HA VAL B 6 -25.358 7.164 -0.900 1.00 0.00 H new ATOM 0 HB VAL B 6 -27.418 5.148 0.070 1.00 0.00 H new ATOM 0 HG11 VAL B 6 -28.890 6.295 -1.538 1.00 0.00 H new ATOM 0 HG12 VAL B 6 -28.276 7.408 -0.293 1.00 0.00 H new ATOM 0 HG13 VAL B 6 -27.574 7.427 -1.928 1.00 0.00 H new ATOM 0 HG21 VAL B 6 -27.541 4.356 -2.258 1.00 0.00 H new ATOM 0 HG22 VAL B 6 -26.166 5.402 -2.682 1.00 0.00 H new ATOM 0 HG23 VAL B 6 -25.940 4.057 -1.540 1.00 0.00 H new ATOM 1424 N LYS B 7 -25.549 8.373 1.284 1.00 0.00 N ATOM 1425 CA LYS B 7 -25.800 9.170 2.482 1.00 0.00 C ATOM 1426 C LYS B 7 -27.229 9.703 2.493 1.00 0.00 C ATOM 1427 O LYS B 7 -27.696 10.280 1.509 1.00 0.00 O ATOM 1428 CB LYS B 7 -24.804 10.330 2.568 1.00 0.00 C ATOM 1429 CG LYS B 7 -24.841 11.081 3.889 1.00 0.00 C ATOM 1430 CD LYS B 7 -24.781 12.587 3.679 1.00 0.00 C ATOM 1431 CE LYS B 7 -23.349 13.102 3.713 1.00 0.00 C ATOM 1432 NZ LYS B 7 -23.076 14.070 2.613 1.00 0.00 N ATOM 0 H LYS B 7 -24.962 8.834 0.589 1.00 0.00 H new ATOM 0 HA LYS B 7 -25.668 8.525 3.351 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -23.797 9.943 2.410 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -25.007 11.030 1.758 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -25.753 10.824 4.429 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -24.003 10.766 4.511 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -25.236 12.840 2.721 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -25.366 13.086 4.452 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -23.159 13.582 4.673 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -22.660 12.261 3.635 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -22.090 14.395 2.674 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -23.232 13.606 1.695 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -23.716 14.885 2.701 1.00 0.00 H new ATOM 1532 N GLU B 13 -23.504 10.609 8.610 1.00 0.00 N ATOM 1533 CA GLU B 13 -22.158 10.550 8.044 1.00 0.00 C ATOM 1534 C GLU B 13 -21.779 9.118 7.668 1.00 0.00 C ATOM 1535 O GLU B 13 -22.388 8.157 8.141 1.00 0.00 O ATOM 1536 CB GLU B 13 -21.137 11.115 9.036 1.00 0.00 C ATOM 1537 CG GLU B 13 -20.549 12.450 8.607 1.00 0.00 C ATOM 1538 CD GLU B 13 -19.151 12.682 9.148 1.00 0.00 C ATOM 1539 OE1 GLU B 13 -18.943 12.490 10.365 1.00 0.00 O ATOM 1540 OE2 GLU B 13 -18.263 13.058 8.354 1.00 0.00 O ATOM 0 HA GLU B 13 -22.151 11.156 7.138 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -21.614 11.233 10.009 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -20.329 10.395 9.163 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -20.524 12.497 7.518 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -21.202 13.254 8.946 1.00 0.00 H new ATOM 1547 N TYR B 14 -20.761 8.990 6.817 1.00 0.00 N ATOM 1548 CA TYR B 14 -20.284 7.681 6.372 1.00 0.00 C ATOM 1549 C TYR B 14 -19.495 6.978 7.476 1.00 0.00 C ATOM 1550 O TYR B 14 -19.504 5.748 7.567 1.00 0.00 O ATOM 1551 CB TYR B 14 -19.406 7.825 5.125 1.00 0.00 C ATOM 1552 CG TYR B 14 -20.081 8.551 3.982 1.00 0.00 C ATOM 1553 CD1 TYR B 14 -20.851 7.860 3.055 1.00 0.00 C ATOM 1554 CD2 TYR B 14 -19.955 9.927 3.836 1.00 0.00 C ATOM 1555 CE1 TYR B 14 -21.471 8.518 2.012 1.00 0.00 C ATOM 1556 CE2 TYR B 14 -20.572 10.592 2.795 1.00 0.00 C ATOM 1557 CZ TYR B 14 -21.329 9.884 1.888 1.00 0.00 C ATOM 1558 OH TYR B 14 -21.944 10.545 0.852 1.00 0.00 O ATOM 0 H TYR B 14 -20.250 9.779 6.421 1.00 0.00 H new ATOM 0 HA TYR B 14 -21.157 7.076 6.129 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -18.494 8.359 5.394 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -19.107 6.833 4.787 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -20.966 6.791 3.152 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -19.365 10.485 4.548 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -22.064 7.966 1.297 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -20.462 11.661 2.693 1.00 0.00 H new ATOM 0 HH TYR B 14 -22.748 10.054 0.583 1.00 0.00 H new ATOM 1568 N GLY B 15 -18.811 7.766 8.309 1.00 0.00 N ATOM 1569 CA GLY B 15 -18.026 7.207 9.393 1.00 0.00 C ATOM 1570 C GLY B 15 -16.892 6.324 8.908 1.00 0.00 C ATOM 1571 O GLY B 15 -16.680 5.236 9.439 1.00 0.00 O ATOM 0 H GLY B 15 -18.789 8.784 8.248 1.00 0.00 H new ATOM 0 HA2 GLY B 15 -17.616 8.019 9.994 1.00 0.00 H new ATOM 0 HA3 GLY B 15 -18.678 6.626 10.045 1.00 0.00 H new ATOM 1575 N LEU B 16 -16.157 6.787 7.898 1.00 0.00 N ATOM 1576 CA LEU B 16 -15.039 6.018 7.358 1.00 0.00 C ATOM 1577 C LEU B 16 -13.717 6.746 7.593 1.00 0.00 C ATOM 1578 O LEU B 16 -13.485 7.829 7.055 1.00 0.00 O ATOM 1579 CB LEU B 16 -15.247 5.729 5.863 1.00 0.00 C ATOM 1580 CG LEU B 16 -15.219 6.949 4.933 1.00 0.00 C ATOM 1581 CD1 LEU B 16 -13.886 7.037 4.204 1.00 0.00 C ATOM 1582 CD2 LEU B 16 -16.368 6.888 3.935 1.00 0.00 C ATOM 0 H LEU B 16 -16.315 7.685 7.440 1.00 0.00 H new ATOM 0 HA LEU B 16 -14.998 5.064 7.884 1.00 0.00 H new ATOM 0 HB2 LEU B 16 -14.476 5.031 5.537 1.00 0.00 H new ATOM 0 HB3 LEU B 16 -16.206 5.225 5.740 1.00 0.00 H new ATOM 0 HG LEU B 16 -15.338 7.845 5.542 1.00 0.00 H new ATOM 0 HD11 LEU B 16 -13.886 7.909 3.550 1.00 0.00 H new ATOM 0 HD12 LEU B 16 -13.079 7.129 4.931 1.00 0.00 H new ATOM 0 HD13 LEU B 16 -13.737 6.136 3.609 1.00 0.00 H new ATOM 0 HD21 LEU B 16 -16.331 7.762 3.284 1.00 0.00 H new ATOM 0 HD22 LEU B 16 -16.280 5.983 3.333 1.00 0.00 H new ATOM 0 HD23 LEU B 16 -17.316 6.875 4.472 1.00 0.00 H new ATOM 1594 N ARG B 17 -12.853 6.144 8.412 1.00 0.00 N ATOM 1595 CA ARG B 17 -11.554 6.734 8.724 1.00 0.00 C ATOM 1596 C ARG B 17 -10.603 6.595 7.539 1.00 0.00 C ATOM 1597 O ARG B 17 -10.189 5.489 7.188 1.00 0.00 O ATOM 1598 CB ARG B 17 -10.952 6.078 9.971 1.00 0.00 C ATOM 1599 CG ARG B 17 -10.236 7.054 10.890 1.00 0.00 C ATOM 1600 CD ARG B 17 -9.493 6.330 12.003 1.00 0.00 C ATOM 1601 NE ARG B 17 -10.218 6.378 13.273 1.00 0.00 N ATOM 1602 CZ ARG B 17 -10.231 7.436 14.091 1.00 0.00 C ATOM 1603 NH1 ARG B 17 -9.569 8.545 13.773 1.00 0.00 N ATOM 1604 NH2 ARG B 17 -10.913 7.381 15.231 1.00 0.00 N ATOM 0 H ARG B 17 -13.031 5.250 8.870 1.00 0.00 H new ATOM 0 HA ARG B 17 -11.700 7.795 8.927 1.00 0.00 H new ATOM 0 HB2 ARG B 17 -11.746 5.583 10.530 1.00 0.00 H new ATOM 0 HB3 ARG B 17 -10.250 5.304 9.661 1.00 0.00 H new ATOM 0 HG2 ARG B 17 -9.532 7.652 10.310 1.00 0.00 H new ATOM 0 HG3 ARG B 17 -10.959 7.745 11.323 1.00 0.00 H new ATOM 0 HD2 ARG B 17 -9.335 5.290 11.716 1.00 0.00 H new ATOM 0 HD3 ARG B 17 -8.508 6.778 12.132 1.00 0.00 H new ATOM 0 HE ARG B 17 -10.747 5.552 13.552 1.00 0.00 H new ATOM 0 HH11 ARG B 17 -9.046 8.594 12.899 1.00 0.00 H new ATOM 0 HH12 ARG B 17 -9.585 9.347 14.403 1.00 0.00 H new ATOM 0 HH21 ARG B 17 -11.424 6.534 15.479 1.00 0.00 H new ATOM 0 HH22 ARG B 17 -10.925 8.186 15.857 1.00 0.00 H new ATOM 1618 N LEU B 18 -10.274 7.725 6.920 1.00 0.00 N ATOM 1619 CA LEU B 18 -9.386 7.742 5.762 1.00 0.00 C ATOM 1620 C LEU B 18 -7.948 8.075 6.160 1.00 0.00 C ATOM 1621 O LEU B 18 -7.702 9.011 6.926 1.00 0.00 O ATOM 1622 CB LEU B 18 -9.898 8.756 4.732 1.00 0.00 C ATOM 1623 CG LEU B 18 -9.496 8.489 3.277 1.00 0.00 C ATOM 1624 CD1 LEU B 18 -8.000 8.689 3.089 1.00 0.00 C ATOM 1625 CD2 LEU B 18 -9.912 7.085 2.854 1.00 0.00 C ATOM 0 H LEU B 18 -10.611 8.645 7.203 1.00 0.00 H new ATOM 0 HA LEU B 18 -9.384 6.744 5.323 1.00 0.00 H new ATOM 0 HB2 LEU B 18 -10.986 8.786 4.789 1.00 0.00 H new ATOM 0 HB3 LEU B 18 -9.537 9.745 5.013 1.00 0.00 H new ATOM 0 HG LEU B 18 -10.017 9.204 2.640 1.00 0.00 H new ATOM 0 HD11 LEU B 18 -7.735 8.495 2.050 1.00 0.00 H new ATOM 0 HD12 LEU B 18 -7.735 9.715 3.346 1.00 0.00 H new ATOM 0 HD13 LEU B 18 -7.457 8.001 3.737 1.00 0.00 H new ATOM 0 HD21 LEU B 18 -9.618 6.915 1.818 1.00 0.00 H new ATOM 0 HD22 LEU B 18 -9.423 6.352 3.495 1.00 0.00 H new ATOM 0 HD23 LEU B 18 -10.993 6.983 2.946 1.00 0.00 H new ATOM 1637 N ALA B 19 -7.002 7.303 5.623 1.00 0.00 N ATOM 1638 CA ALA B 19 -5.581 7.498 5.899 1.00 0.00 C ATOM 1639 C ALA B 19 -4.772 7.461 4.602 1.00 0.00 C ATOM 1640 O ALA B 19 -5.275 7.025 3.566 1.00 0.00 O ATOM 1641 CB ALA B 19 -5.083 6.436 6.867 1.00 0.00 C ATOM 0 H ALA B 19 -7.199 6.529 4.988 1.00 0.00 H new ATOM 0 HA ALA B 19 -5.448 8.478 6.358 1.00 0.00 H new ATOM 0 HB1 ALA B 19 -4.023 6.592 7.065 1.00 0.00 H new ATOM 0 HB2 ALA B 19 -5.640 6.505 7.801 1.00 0.00 H new ATOM 0 HB3 ALA B 19 -5.229 5.448 6.430 1.00 0.00 H new ATOM 1647 N SER B 20 -3.522 7.923 4.654 1.00 0.00 N ATOM 1648 CA SER B 20 -2.672 7.933 3.464 1.00 0.00 C ATOM 1649 C SER B 20 -1.344 7.222 3.711 1.00 0.00 C ATOM 1650 O SER B 20 -0.819 7.224 4.826 1.00 0.00 O ATOM 1651 CB SER B 20 -2.421 9.370 2.993 1.00 0.00 C ATOM 1652 OG SER B 20 -1.608 10.084 3.908 1.00 0.00 O ATOM 0 H SER B 20 -3.080 8.291 5.497 1.00 0.00 H new ATOM 0 HA SER B 20 -3.202 7.389 2.682 1.00 0.00 H new ATOM 0 HB2 SER B 20 -1.941 9.354 2.014 1.00 0.00 H new ATOM 0 HB3 SER B 20 -3.374 9.886 2.873 1.00 0.00 H new ATOM 0 HG SER B 20 -1.466 10.995 3.577 1.00 0.00 H new ATOM 1658 N HIS B 21 -0.808 6.613 2.655 1.00 0.00 N ATOM 1659 CA HIS B 21 0.458 5.892 2.733 1.00 0.00 C ATOM 1660 C HIS B 21 1.493 6.508 1.789 1.00 0.00 C ATOM 1661 O HIS B 21 1.200 7.467 1.073 1.00 0.00 O ATOM 1662 CB HIS B 21 0.245 4.420 2.373 1.00 0.00 C ATOM 1663 CG HIS B 21 0.615 3.488 3.476 1.00 0.00 C ATOM 1664 ND1 HIS B 21 1.698 2.641 3.414 1.00 0.00 N ATOM 1665 CD2 HIS B 21 0.043 3.281 4.680 1.00 0.00 C ATOM 1666 CE1 HIS B 21 1.774 1.950 4.535 1.00 0.00 C ATOM 1667 NE2 HIS B 21 0.781 2.319 5.323 1.00 0.00 N ATOM 0 H HIS B 21 -1.236 6.606 1.729 1.00 0.00 H new ATOM 0 HA HIS B 21 0.831 5.966 3.755 1.00 0.00 H new ATOM 0 HB2 HIS B 21 -0.801 4.264 2.110 1.00 0.00 H new ATOM 0 HB3 HIS B 21 0.835 4.179 1.489 1.00 0.00 H new ATOM 0 HD2 HIS B 21 -0.833 3.780 5.066 1.00 0.00 H new ATOM 0 HE1 HIS B 21 2.522 1.207 4.769 1.00 0.00 H new ATOM 0 HE2 HIS B 21 0.593 1.950 6.255 1.00 0.00 H new ATOM 1676 N ILE B 22 2.701 5.945 1.785 1.00 0.00 N ATOM 1677 CA ILE B 22 3.773 6.437 0.922 1.00 0.00 C ATOM 1678 C ILE B 22 4.460 5.288 0.189 1.00 0.00 C ATOM 1679 O ILE B 22 4.661 4.211 0.751 1.00 0.00 O ATOM 1680 CB ILE B 22 4.833 7.232 1.721 1.00 0.00 C ATOM 1681 CG1 ILE B 22 4.165 8.294 2.604 1.00 0.00 C ATOM 1682 CG2 ILE B 22 5.840 7.881 0.782 1.00 0.00 C ATOM 1683 CD1 ILE B 22 3.501 9.409 1.822 1.00 0.00 C ATOM 0 H ILE B 22 2.961 5.150 2.368 1.00 0.00 H new ATOM 0 HA ILE B 22 3.308 7.104 0.196 1.00 0.00 H new ATOM 0 HB ILE B 22 5.364 6.532 2.366 1.00 0.00 H new ATOM 0 HG12 ILE B 22 3.419 7.811 3.235 1.00 0.00 H new ATOM 0 HG13 ILE B 22 4.914 8.725 3.268 1.00 0.00 H new ATOM 0 HG21 ILE B 22 6.576 8.435 1.365 1.00 0.00 H new ATOM 0 HG22 ILE B 22 6.344 7.110 0.200 1.00 0.00 H new ATOM 0 HG23 ILE B 22 5.322 8.564 0.109 1.00 0.00 H new ATOM 0 HD11 ILE B 22 3.051 10.121 2.514 1.00 0.00 H new ATOM 0 HD12 ILE B 22 4.246 9.918 1.211 1.00 0.00 H new ATOM 0 HD13 ILE B 22 2.728 8.991 1.178 1.00 0.00 H new ATOM 1695 N PHE B 23 4.821 5.528 -1.071 1.00 0.00 N ATOM 1696 CA PHE B 23 5.493 4.520 -1.889 1.00 0.00 C ATOM 1697 C PHE B 23 6.427 5.175 -2.906 1.00 0.00 C ATOM 1698 O PHE B 23 6.473 6.400 -3.018 1.00 0.00 O ATOM 1699 CB PHE B 23 4.465 3.639 -2.607 1.00 0.00 C ATOM 1700 CG PHE B 23 3.758 4.336 -3.737 1.00 0.00 C ATOM 1701 CD1 PHE B 23 2.826 5.328 -3.480 1.00 0.00 C ATOM 1702 CD2 PHE B 23 4.029 3.999 -5.053 1.00 0.00 C ATOM 1703 CE1 PHE B 23 2.180 5.973 -4.515 1.00 0.00 C ATOM 1704 CE2 PHE B 23 3.385 4.642 -6.093 1.00 0.00 C ATOM 1705 CZ PHE B 23 2.457 5.630 -5.823 1.00 0.00 C ATOM 0 H PHE B 23 4.659 6.415 -1.548 1.00 0.00 H new ATOM 0 HA PHE B 23 6.091 3.894 -1.227 1.00 0.00 H new ATOM 0 HB2 PHE B 23 4.967 2.753 -2.995 1.00 0.00 H new ATOM 0 HB3 PHE B 23 3.725 3.295 -1.884 1.00 0.00 H new ATOM 0 HD1 PHE B 23 2.603 5.600 -2.459 1.00 0.00 H new ATOM 0 HD2 PHE B 23 4.751 3.226 -5.269 1.00 0.00 H new ATOM 0 HE1 PHE B 23 1.457 6.747 -4.301 1.00 0.00 H new ATOM 0 HE2 PHE B 23 3.607 4.373 -7.115 1.00 0.00 H new ATOM 0 HZ PHE B 23 1.950 6.132 -6.633 1.00 0.00 H new ATOM 1715 N VAL B 24 7.166 4.354 -3.647 1.00 0.00 N ATOM 1716 CA VAL B 24 8.095 4.857 -4.656 1.00 0.00 C ATOM 1717 C VAL B 24 7.536 4.656 -6.063 1.00 0.00 C ATOM 1718 O VAL B 24 7.344 3.527 -6.505 1.00 0.00 O ATOM 1719 CB VAL B 24 9.467 4.162 -4.550 1.00 0.00 C ATOM 1720 CG1 VAL B 24 10.461 4.763 -5.534 1.00 0.00 C ATOM 1721 CG2 VAL B 24 9.999 4.252 -3.128 1.00 0.00 C ATOM 0 H VAL B 24 7.140 3.337 -3.568 1.00 0.00 H new ATOM 0 HA VAL B 24 8.224 5.923 -4.470 1.00 0.00 H new ATOM 0 HB VAL B 24 9.336 3.110 -4.805 1.00 0.00 H new ATOM 0 HG11 VAL B 24 11.420 4.255 -5.438 1.00 0.00 H new ATOM 0 HG12 VAL B 24 10.086 4.642 -6.550 1.00 0.00 H new ATOM 0 HG13 VAL B 24 10.590 5.824 -5.319 1.00 0.00 H new ATOM 0 HG21 VAL B 24 10.968 3.757 -3.070 1.00 0.00 H new ATOM 0 HG22 VAL B 24 10.109 5.299 -2.846 1.00 0.00 H new ATOM 0 HG23 VAL B 24 9.301 3.765 -2.447 1.00 0.00 H new ATOM 1731 N LYS B 25 7.282 5.763 -6.762 1.00 0.00 N ATOM 1732 CA LYS B 25 6.750 5.711 -8.126 1.00 0.00 C ATOM 1733 C LYS B 25 7.653 4.887 -9.047 1.00 0.00 C ATOM 1734 O LYS B 25 7.169 4.040 -9.798 1.00 0.00 O ATOM 1735 CB LYS B 25 6.586 7.124 -8.694 1.00 0.00 C ATOM 1736 CG LYS B 25 5.402 7.266 -9.638 1.00 0.00 C ATOM 1737 CD LYS B 25 4.230 7.963 -8.965 1.00 0.00 C ATOM 1738 CE LYS B 25 2.996 7.984 -9.856 1.00 0.00 C ATOM 1739 NZ LYS B 25 3.217 8.763 -11.107 1.00 0.00 N ATOM 0 H LYS B 25 7.436 6.707 -6.407 1.00 0.00 H new ATOM 0 HA LYS B 25 5.774 5.227 -8.078 1.00 0.00 H new ATOM 0 HB2 LYS B 25 6.469 7.827 -7.869 1.00 0.00 H new ATOM 0 HB3 LYS B 25 7.497 7.402 -9.223 1.00 0.00 H new ATOM 0 HG2 LYS B 25 5.705 7.831 -10.520 1.00 0.00 H new ATOM 0 HG3 LYS B 25 5.090 6.280 -9.983 1.00 0.00 H new ATOM 0 HD2 LYS B 25 3.994 7.456 -8.030 1.00 0.00 H new ATOM 0 HD3 LYS B 25 4.512 8.985 -8.711 1.00 0.00 H new ATOM 0 HE2 LYS B 25 2.717 6.962 -10.111 1.00 0.00 H new ATOM 0 HE3 LYS B 25 2.160 8.414 -9.305 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 2.327 8.821 -11.642 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 3.540 9.722 -10.866 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 3.939 8.290 -11.687 1.00 0.00 H new ATOM 1753 N GLU B 26 8.962 5.143 -8.988 1.00 0.00 N ATOM 1754 CA GLU B 26 9.927 4.425 -9.823 1.00 0.00 C ATOM 1755 C GLU B 26 11.366 4.761 -9.427 1.00 0.00 C ATOM 1756 O GLU B 26 11.606 5.653 -8.610 1.00 0.00 O ATOM 1757 CB GLU B 26 9.709 4.769 -11.302 1.00 0.00 C ATOM 1758 CG GLU B 26 9.328 3.573 -12.161 1.00 0.00 C ATOM 1759 CD GLU B 26 10.113 3.507 -13.458 1.00 0.00 C ATOM 1760 OE1 GLU B 26 9.940 4.410 -14.304 1.00 0.00 O ATOM 1761 OE2 GLU B 26 10.900 2.552 -13.628 1.00 0.00 O ATOM 0 H GLU B 26 9.377 5.841 -8.371 1.00 0.00 H new ATOM 0 HA GLU B 26 9.768 3.358 -9.669 1.00 0.00 H new ATOM 0 HB2 GLU B 26 8.926 5.523 -11.378 1.00 0.00 H new ATOM 0 HB3 GLU B 26 10.621 5.215 -11.700 1.00 0.00 H new ATOM 0 HG2 GLU B 26 9.494 2.657 -11.594 1.00 0.00 H new ATOM 0 HG3 GLU B 26 8.263 3.619 -12.388 1.00 0.00 H new ATOM 1768 N ILE B 27 12.321 4.046 -10.024 1.00 0.00 N ATOM 1769 CA ILE B 27 13.740 4.269 -9.751 1.00 0.00 C ATOM 1770 C ILE B 27 14.450 4.781 -11.002 1.00 0.00 C ATOM 1771 O ILE B 27 14.163 4.332 -12.114 1.00 0.00 O ATOM 1772 CB ILE B 27 14.448 2.979 -9.270 1.00 0.00 C ATOM 1773 CG1 ILE B 27 13.528 2.154 -8.359 1.00 0.00 C ATOM 1774 CG2 ILE B 27 15.749 3.319 -8.552 1.00 0.00 C ATOM 1775 CD1 ILE B 27 13.191 2.832 -7.049 1.00 0.00 C ATOM 0 H ILE B 27 12.136 3.306 -10.701 1.00 0.00 H new ATOM 0 HA ILE B 27 13.795 5.013 -8.956 1.00 0.00 H new ATOM 0 HB ILE B 27 14.684 2.376 -10.146 1.00 0.00 H new ATOM 0 HG12 ILE B 27 12.603 1.938 -8.893 1.00 0.00 H new ATOM 0 HG13 ILE B 27 14.005 1.197 -8.149 1.00 0.00 H new ATOM 0 HG21 ILE B 27 16.233 2.400 -8.221 1.00 0.00 H new ATOM 0 HG22 ILE B 27 16.412 3.853 -9.233 1.00 0.00 H new ATOM 0 HG23 ILE B 27 15.534 3.947 -7.688 1.00 0.00 H new ATOM 0 HD11 ILE B 27 12.538 2.186 -6.462 1.00 0.00 H new ATOM 0 HD12 ILE B 27 14.108 3.023 -6.492 1.00 0.00 H new ATOM 0 HD13 ILE B 27 12.684 3.776 -7.248 1.00 0.00 H new ATOM 1787 N SER B 28 15.382 5.716 -10.820 1.00 0.00 N ATOM 1788 CA SER B 28 16.129 6.273 -11.943 1.00 0.00 C ATOM 1789 C SER B 28 17.436 5.513 -12.146 1.00 0.00 C ATOM 1790 O SER B 28 18.119 5.166 -11.181 1.00 0.00 O ATOM 1791 CB SER B 28 16.405 7.765 -11.725 1.00 0.00 C ATOM 1792 OG SER B 28 17.505 7.969 -10.853 1.00 0.00 O ATOM 0 H SER B 28 15.636 6.101 -9.910 1.00 0.00 H new ATOM 0 HA SER B 28 15.523 6.165 -12.842 1.00 0.00 H new ATOM 0 HB2 SER B 28 16.606 8.243 -12.684 1.00 0.00 H new ATOM 0 HB3 SER B 28 15.518 8.243 -11.311 1.00 0.00 H new ATOM 0 HG SER B 28 17.523 7.259 -10.177 1.00 0.00 H new ATOM 1798 N GLN B 29 17.769 5.250 -13.405 1.00 0.00 N ATOM 1799 CA GLN B 29 18.987 4.521 -13.737 1.00 0.00 C ATOM 1800 C GLN B 29 20.230 5.358 -13.448 1.00 0.00 C ATOM 1801 O GLN B 29 20.188 6.588 -13.497 1.00 0.00 O ATOM 1802 CB GLN B 29 18.966 4.087 -15.202 1.00 0.00 C ATOM 1803 CG GLN B 29 17.999 2.945 -15.477 1.00 0.00 C ATOM 1804 CD GLN B 29 17.224 3.126 -16.768 1.00 0.00 C ATOM 1805 OE1 GLN B 29 16.169 3.759 -16.788 1.00 0.00 O ATOM 1806 NE2 GLN B 29 17.745 2.570 -17.857 1.00 0.00 N ATOM 0 H GLN B 29 17.212 5.531 -14.212 1.00 0.00 H new ATOM 0 HA GLN B 29 19.027 3.632 -13.107 1.00 0.00 H new ATOM 0 HB2 GLN B 29 18.695 4.941 -15.823 1.00 0.00 H new ATOM 0 HB3 GLN B 29 19.970 3.783 -15.498 1.00 0.00 H new ATOM 0 HG2 GLN B 29 18.554 2.008 -15.521 1.00 0.00 H new ATOM 0 HG3 GLN B 29 17.298 2.861 -14.647 1.00 0.00 H new ATOM 0 HE21 GLN B 29 18.622 2.053 -17.796 1.00 0.00 H new ATOM 0 HE22 GLN B 29 17.267 2.660 -18.754 1.00 0.00 H new ATOM 1815 N ASP B 30 21.334 4.675 -13.143 1.00 0.00 N ATOM 1816 CA ASP B 30 22.603 5.337 -12.835 1.00 0.00 C ATOM 1817 C ASP B 30 22.459 6.279 -11.637 1.00 0.00 C ATOM 1818 O ASP B 30 22.940 7.415 -11.667 1.00 0.00 O ATOM 1819 CB ASP B 30 23.119 6.104 -14.057 1.00 0.00 C ATOM 1820 CG ASP B 30 23.669 5.187 -15.132 1.00 0.00 C ATOM 1821 OD1 ASP B 30 24.426 4.252 -14.790 1.00 0.00 O ATOM 1822 OD2 ASP B 30 23.345 5.403 -16.318 1.00 0.00 O ATOM 0 H ASP B 30 21.375 3.657 -13.102 1.00 0.00 H new ATOM 0 HA ASP B 30 23.328 4.566 -12.573 1.00 0.00 H new ATOM 0 HB2 ASP B 30 22.309 6.702 -14.474 1.00 0.00 H new ATOM 0 HB3 ASP B 30 23.899 6.798 -13.743 1.00 0.00 H new ATOM 1827 N SER B 31 21.798 5.801 -10.581 1.00 0.00 N ATOM 1828 CA SER B 31 21.597 6.602 -9.375 1.00 0.00 C ATOM 1829 C SER B 31 21.894 5.789 -8.115 1.00 0.00 C ATOM 1830 O SER B 31 22.167 4.589 -8.190 1.00 0.00 O ATOM 1831 CB SER B 31 20.165 7.143 -9.331 1.00 0.00 C ATOM 1832 OG SER B 31 20.066 8.376 -10.021 1.00 0.00 O ATOM 0 H SER B 31 21.394 4.865 -10.538 1.00 0.00 H new ATOM 0 HA SER B 31 22.293 7.440 -9.407 1.00 0.00 H new ATOM 0 HB2 SER B 31 19.485 6.417 -9.777 1.00 0.00 H new ATOM 0 HB3 SER B 31 19.855 7.276 -8.295 1.00 0.00 H new ATOM 0 HG SER B 31 19.202 8.426 -10.480 1.00 0.00 H new ATOM 1838 N LEU B 32 21.841 6.453 -6.959 1.00 0.00 N ATOM 1839 CA LEU B 32 22.107 5.803 -5.674 1.00 0.00 C ATOM 1840 C LEU B 32 21.202 4.587 -5.461 1.00 0.00 C ATOM 1841 O LEU B 32 21.664 3.536 -5.017 1.00 0.00 O ATOM 1842 CB LEU B 32 21.922 6.799 -4.526 1.00 0.00 C ATOM 1843 CG LEU B 32 22.940 7.942 -4.486 1.00 0.00 C ATOM 1844 CD1 LEU B 32 22.424 9.085 -3.627 1.00 0.00 C ATOM 1845 CD2 LEU B 32 24.276 7.442 -3.964 1.00 0.00 C ATOM 0 H LEU B 32 21.615 7.445 -6.886 1.00 0.00 H new ATOM 0 HA LEU B 32 23.140 5.456 -5.687 1.00 0.00 H new ATOM 0 HB2 LEU B 32 20.922 7.227 -4.595 1.00 0.00 H new ATOM 0 HB3 LEU B 32 21.972 6.255 -3.583 1.00 0.00 H new ATOM 0 HG LEU B 32 23.083 8.314 -5.500 1.00 0.00 H new ATOM 0 HD11 LEU B 32 23.160 9.888 -3.610 1.00 0.00 H new ATOM 0 HD12 LEU B 32 21.488 9.459 -4.043 1.00 0.00 H new ATOM 0 HD13 LEU B 32 22.253 8.728 -2.611 1.00 0.00 H new ATOM 0 HD21 LEU B 32 24.989 8.266 -3.941 1.00 0.00 H new ATOM 0 HD22 LEU B 32 24.148 7.045 -2.957 1.00 0.00 H new ATOM 0 HD23 LEU B 32 24.651 6.655 -4.619 1.00 0.00 H new ATOM 1857 N ALA B 33 19.915 4.733 -5.782 1.00 0.00 N ATOM 1858 CA ALA B 33 18.952 3.641 -5.628 1.00 0.00 C ATOM 1859 C ALA B 33 19.351 2.429 -6.469 1.00 0.00 C ATOM 1860 O ALA B 33 19.362 1.300 -5.977 1.00 0.00 O ATOM 1861 CB ALA B 33 17.559 4.113 -6.013 1.00 0.00 C ATOM 0 H ALA B 33 19.516 5.596 -6.150 1.00 0.00 H new ATOM 0 HA ALA B 33 18.949 3.338 -4.581 1.00 0.00 H new ATOM 0 HB1 ALA B 33 16.851 3.293 -5.895 1.00 0.00 H new ATOM 0 HB2 ALA B 33 17.265 4.942 -5.369 1.00 0.00 H new ATOM 0 HB3 ALA B 33 17.561 4.443 -7.052 1.00 0.00 H new ATOM 1867 N ALA B 34 19.680 2.673 -7.738 1.00 0.00 N ATOM 1868 CA ALA B 34 20.085 1.601 -8.647 1.00 0.00 C ATOM 1869 C ALA B 34 21.381 0.939 -8.179 1.00 0.00 C ATOM 1870 O ALA B 34 21.559 -0.270 -8.335 1.00 0.00 O ATOM 1871 CB ALA B 34 20.244 2.139 -10.062 1.00 0.00 C ATOM 0 H ALA B 34 19.674 3.602 -8.159 1.00 0.00 H new ATOM 0 HA ALA B 34 19.302 0.843 -8.645 1.00 0.00 H new ATOM 0 HB1 ALA B 34 20.546 1.330 -10.727 1.00 0.00 H new ATOM 0 HB2 ALA B 34 19.295 2.554 -10.402 1.00 0.00 H new ATOM 0 HB3 ALA B 34 21.005 2.919 -10.071 1.00 0.00 H new ATOM 1877 N ARG B 35 22.281 1.737 -7.605 1.00 0.00 N ATOM 1878 CA ARG B 35 23.559 1.230 -7.112 1.00 0.00 C ATOM 1879 C ARG B 35 23.386 0.474 -5.790 1.00 0.00 C ATOM 1880 O ARG B 35 24.005 -0.569 -5.582 1.00 0.00 O ATOM 1881 CB ARG B 35 24.551 2.382 -6.927 1.00 0.00 C ATOM 1882 CG ARG B 35 24.987 3.030 -8.233 1.00 0.00 C ATOM 1883 CD ARG B 35 25.733 4.335 -7.997 1.00 0.00 C ATOM 1884 NE ARG B 35 26.969 4.135 -7.240 1.00 0.00 N ATOM 1885 CZ ARG B 35 27.975 5.013 -7.207 1.00 0.00 C ATOM 1886 NH1 ARG B 35 27.896 6.158 -7.879 1.00 0.00 N ATOM 1887 NH2 ARG B 35 29.064 4.745 -6.493 1.00 0.00 N ATOM 0 H ARG B 35 22.147 2.739 -7.470 1.00 0.00 H new ATOM 0 HA ARG B 35 23.950 0.534 -7.854 1.00 0.00 H new ATOM 0 HB2 ARG B 35 24.098 3.141 -6.289 1.00 0.00 H new ATOM 0 HB3 ARG B 35 25.432 2.010 -6.404 1.00 0.00 H new ATOM 0 HG2 ARG B 35 25.626 2.341 -8.785 1.00 0.00 H new ATOM 0 HG3 ARG B 35 24.112 3.219 -8.854 1.00 0.00 H new ATOM 0 HD2 ARG B 35 25.967 4.797 -8.956 1.00 0.00 H new ATOM 0 HD3 ARG B 35 25.087 5.029 -7.459 1.00 0.00 H new ATOM 0 HE ARG B 35 27.068 3.272 -6.705 1.00 0.00 H new ATOM 0 HH11 ARG B 35 27.062 6.372 -8.426 1.00 0.00 H new ATOM 0 HH12 ARG B 35 28.669 6.822 -7.848 1.00 0.00 H new ATOM 0 HH21 ARG B 35 29.130 3.871 -5.972 1.00 0.00 H new ATOM 0 HH22 ARG B 35 29.834 5.414 -6.466 1.00 0.00 H new ATOM 1901 N ASP B 36 22.545 1.007 -4.899 1.00 0.00 N ATOM 1902 CA ASP B 36 22.299 0.376 -3.600 1.00 0.00 C ATOM 1903 C ASP B 36 21.525 -0.935 -3.750 1.00 0.00 C ATOM 1904 O ASP B 36 21.742 -1.881 -2.991 1.00 0.00 O ATOM 1905 CB ASP B 36 21.531 1.321 -2.676 1.00 0.00 C ATOM 1906 CG ASP B 36 22.286 1.606 -1.393 1.00 0.00 C ATOM 1907 OD1 ASP B 36 22.393 0.688 -0.553 1.00 0.00 O ATOM 1908 OD2 ASP B 36 22.771 2.746 -1.228 1.00 0.00 O ATOM 0 H ASP B 36 22.025 1.871 -5.053 1.00 0.00 H new ATOM 0 HA ASP B 36 23.271 0.154 -3.160 1.00 0.00 H new ATOM 0 HB2 ASP B 36 21.337 2.258 -3.197 1.00 0.00 H new ATOM 0 HB3 ASP B 36 20.562 0.884 -2.436 1.00 0.00 H new ATOM 1913 N GLY B 37 20.619 -0.982 -4.728 1.00 0.00 N ATOM 1914 CA GLY B 37 19.827 -2.181 -4.956 1.00 0.00 C ATOM 1915 C GLY B 37 18.843 -2.463 -3.833 1.00 0.00 C ATOM 1916 O GLY B 37 18.704 -3.607 -3.397 1.00 0.00 O ATOM 0 H GLY B 37 20.420 -0.211 -5.366 1.00 0.00 H new ATOM 0 HA2 GLY B 37 19.280 -2.076 -5.893 1.00 0.00 H new ATOM 0 HA3 GLY B 37 20.495 -3.035 -5.070 1.00 0.00 H new ATOM 1920 N ASN B 38 18.158 -1.419 -3.362 1.00 0.00 N ATOM 1921 CA ASN B 38 17.184 -1.566 -2.281 1.00 0.00 C ATOM 1922 C ASN B 38 15.810 -1.050 -2.706 1.00 0.00 C ATOM 1923 O ASN B 38 14.826 -1.789 -2.675 1.00 0.00 O ATOM 1924 CB ASN B 38 17.657 -0.823 -1.026 1.00 0.00 C ATOM 1925 CG ASN B 38 18.868 -1.475 -0.384 1.00 0.00 C ATOM 1926 OD1 ASN B 38 18.993 -2.701 -0.373 1.00 0.00 O ATOM 1927 ND2 ASN B 38 19.771 -0.661 0.154 1.00 0.00 N ATOM 0 H ASN B 38 18.260 -0.466 -3.711 1.00 0.00 H new ATOM 0 HA ASN B 38 17.097 -2.628 -2.052 1.00 0.00 H new ATOM 0 HB2 ASN B 38 17.899 0.207 -1.288 1.00 0.00 H new ATOM 0 HB3 ASN B 38 16.843 -0.785 -0.302 1.00 0.00 H new ATOM 0 HD21 ASN B 38 20.605 -1.046 0.597 1.00 0.00 H new ATOM 0 HD22 ASN B 38 19.630 0.349 0.124 1.00 0.00 H new ATOM 1934 N ILE B 39 15.754 0.220 -3.105 1.00 0.00 N ATOM 1935 CA ILE B 39 14.503 0.837 -3.538 1.00 0.00 C ATOM 1936 C ILE B 39 14.033 0.243 -4.865 1.00 0.00 C ATOM 1937 O ILE B 39 14.825 0.065 -5.792 1.00 0.00 O ATOM 1938 CB ILE B 39 14.652 2.370 -3.679 1.00 0.00 C ATOM 1939 CG1 ILE B 39 15.325 2.958 -2.434 1.00 0.00 C ATOM 1940 CG2 ILE B 39 13.293 3.021 -3.899 1.00 0.00 C ATOM 1941 CD1 ILE B 39 16.341 4.037 -2.745 1.00 0.00 C ATOM 0 H ILE B 39 16.562 0.842 -3.137 1.00 0.00 H new ATOM 0 HA ILE B 39 13.757 0.629 -2.771 1.00 0.00 H new ATOM 0 HB ILE B 39 15.280 2.576 -4.546 1.00 0.00 H new ATOM 0 HG12 ILE B 39 14.559 3.371 -1.778 1.00 0.00 H new ATOM 0 HG13 ILE B 39 15.817 2.156 -1.884 1.00 0.00 H new ATOM 0 HG21 ILE B 39 13.418 4.100 -3.996 1.00 0.00 H new ATOM 0 HG22 ILE B 39 12.843 2.624 -4.809 1.00 0.00 H new ATOM 0 HG23 ILE B 39 12.645 2.806 -3.050 1.00 0.00 H new ATOM 0 HD11 ILE B 39 16.776 4.406 -1.816 1.00 0.00 H new ATOM 0 HD12 ILE B 39 17.129 3.624 -3.375 1.00 0.00 H new ATOM 0 HD13 ILE B 39 15.851 4.858 -3.268 1.00 0.00 H new ATOM 1953 N GLN B 40 12.740 -0.069 -4.944 1.00 0.00 N ATOM 1954 CA GLN B 40 12.155 -0.656 -6.149 1.00 0.00 C ATOM 1955 C GLN B 40 11.029 0.213 -6.702 1.00 0.00 C ATOM 1956 O GLN B 40 10.598 1.174 -6.064 1.00 0.00 O ATOM 1957 CB GLN B 40 11.614 -2.055 -5.840 1.00 0.00 C ATOM 1958 CG GLN B 40 11.639 -3.003 -7.030 1.00 0.00 C ATOM 1959 CD GLN B 40 12.114 -4.395 -6.659 1.00 0.00 C ATOM 1960 OE1 GLN B 40 11.787 -4.911 -5.589 1.00 0.00 O ATOM 1961 NE2 GLN B 40 12.887 -5.013 -7.543 1.00 0.00 N ATOM 0 H GLN B 40 12.075 0.076 -4.184 1.00 0.00 H new ATOM 0 HA GLN B 40 12.940 -0.721 -6.902 1.00 0.00 H new ATOM 0 HB2 GLN B 40 12.200 -2.489 -5.030 1.00 0.00 H new ATOM 0 HB3 GLN B 40 10.589 -1.966 -5.480 1.00 0.00 H new ATOM 0 HG2 GLN B 40 10.639 -3.067 -7.459 1.00 0.00 H new ATOM 0 HG3 GLN B 40 12.292 -2.594 -7.801 1.00 0.00 H new ATOM 0 HE21 GLN B 40 13.134 -4.549 -8.417 1.00 0.00 H new ATOM 0 HE22 GLN B 40 13.234 -5.952 -7.348 1.00 0.00 H new ATOM 1970 N GLU B 41 10.552 -0.135 -7.896 1.00 0.00 N ATOM 1971 CA GLU B 41 9.471 0.606 -8.536 1.00 0.00 C ATOM 1972 C GLU B 41 8.109 0.182 -7.980 1.00 0.00 C ATOM 1973 O GLU B 41 7.561 -0.847 -8.380 1.00 0.00 O ATOM 1974 CB GLU B 41 9.495 0.386 -10.053 1.00 0.00 C ATOM 1975 CG GLU B 41 10.883 0.452 -10.675 1.00 0.00 C ATOM 1976 CD GLU B 41 11.260 -0.836 -11.382 1.00 0.00 C ATOM 1977 OE1 GLU B 41 11.486 -1.851 -10.688 1.00 0.00 O ATOM 1978 OE2 GLU B 41 11.330 -0.831 -12.629 1.00 0.00 O ATOM 0 H GLU B 41 10.899 -0.926 -8.439 1.00 0.00 H new ATOM 0 HA GLU B 41 9.622 1.664 -8.322 1.00 0.00 H new ATOM 0 HB2 GLU B 41 9.057 -0.587 -10.274 1.00 0.00 H new ATOM 0 HB3 GLU B 41 8.861 1.136 -10.527 1.00 0.00 H new ATOM 0 HG2 GLU B 41 10.921 1.278 -11.385 1.00 0.00 H new ATOM 0 HG3 GLU B 41 11.617 0.665 -9.898 1.00 0.00 H new ATOM 1985 N GLY B 42 7.567 0.983 -7.062 1.00 0.00 N ATOM 1986 CA GLY B 42 6.270 0.679 -6.472 1.00 0.00 C ATOM 1987 C GLY B 42 6.342 0.173 -5.037 1.00 0.00 C ATOM 1988 O GLY B 42 5.318 -0.217 -4.470 1.00 0.00 O ATOM 0 H GLY B 42 8.003 1.838 -6.716 1.00 0.00 H new ATOM 0 HA2 GLY B 42 5.652 1.576 -6.499 1.00 0.00 H new ATOM 0 HA3 GLY B 42 5.771 -0.071 -7.086 1.00 0.00 H new ATOM 1992 N ASP B 43 7.535 0.185 -4.437 1.00 0.00 N ATOM 1993 CA ASP B 43 7.698 -0.274 -3.057 1.00 0.00 C ATOM 1994 C ASP B 43 6.944 0.639 -2.088 1.00 0.00 C ATOM 1995 O ASP B 43 6.896 1.856 -2.274 1.00 0.00 O ATOM 1996 CB ASP B 43 9.186 -0.364 -2.681 1.00 0.00 C ATOM 1997 CG ASP B 43 9.861 0.994 -2.550 1.00 0.00 C ATOM 1998 OD1 ASP B 43 9.521 1.745 -1.610 1.00 0.00 O ATOM 1999 OD2 ASP B 43 10.745 1.294 -3.375 1.00 0.00 O ATOM 0 H ASP B 43 8.395 0.505 -4.882 1.00 0.00 H new ATOM 0 HA ASP B 43 7.271 -1.274 -2.981 1.00 0.00 H new ATOM 0 HB2 ASP B 43 9.283 -0.902 -1.738 1.00 0.00 H new ATOM 0 HB3 ASP B 43 9.709 -0.950 -3.437 1.00 0.00 H new ATOM 2004 N VAL B 44 6.344 0.039 -1.060 1.00 0.00 N ATOM 2005 CA VAL B 44 5.579 0.789 -0.070 1.00 0.00 C ATOM 2006 C VAL B 44 6.463 1.210 1.104 1.00 0.00 C ATOM 2007 O VAL B 44 6.980 0.363 1.836 1.00 0.00 O ATOM 2008 CB VAL B 44 4.386 -0.037 0.452 1.00 0.00 C ATOM 2009 CG1 VAL B 44 3.486 0.813 1.338 1.00 0.00 C ATOM 2010 CG2 VAL B 44 3.602 -0.633 -0.713 1.00 0.00 C ATOM 0 H VAL B 44 6.375 -0.967 -0.893 1.00 0.00 H new ATOM 0 HA VAL B 44 5.199 1.683 -0.564 1.00 0.00 H new ATOM 0 HB VAL B 44 4.772 -0.856 1.058 1.00 0.00 H new ATOM 0 HG11 VAL B 44 2.651 0.209 1.695 1.00 0.00 H new ATOM 0 HG12 VAL B 44 4.057 1.182 2.190 1.00 0.00 H new ATOM 0 HG13 VAL B 44 3.104 1.658 0.765 1.00 0.00 H new ATOM 0 HG21 VAL B 44 2.763 -1.213 -0.328 1.00 0.00 H new ATOM 0 HG22 VAL B 44 3.227 0.170 -1.348 1.00 0.00 H new ATOM 0 HG23 VAL B 44 4.255 -1.282 -1.297 1.00 0.00 H new ATOM 2020 N VAL B 45 6.629 2.520 1.276 1.00 0.00 N ATOM 2021 CA VAL B 45 7.449 3.062 2.356 1.00 0.00 C ATOM 2022 C VAL B 45 6.601 3.393 3.581 1.00 0.00 C ATOM 2023 O VAL B 45 5.509 3.951 3.459 1.00 0.00 O ATOM 2024 CB VAL B 45 8.197 4.338 1.909 1.00 0.00 C ATOM 2025 CG1 VAL B 45 9.204 4.771 2.964 1.00 0.00 C ATOM 2026 CG2 VAL B 45 8.881 4.124 0.563 1.00 0.00 C ATOM 0 H VAL B 45 6.204 3.228 0.678 1.00 0.00 H new ATOM 0 HA VAL B 45 8.175 2.292 2.615 1.00 0.00 H new ATOM 0 HB VAL B 45 7.464 5.136 1.792 1.00 0.00 H new ATOM 0 HG11 VAL B 45 9.719 5.671 2.628 1.00 0.00 H new ATOM 0 HG12 VAL B 45 8.684 4.978 3.900 1.00 0.00 H new ATOM 0 HG13 VAL B 45 9.931 3.975 3.121 1.00 0.00 H new ATOM 0 HG21 VAL B 45 9.401 5.036 0.270 1.00 0.00 H new ATOM 0 HG22 VAL B 45 9.599 3.308 0.645 1.00 0.00 H new ATOM 0 HG23 VAL B 45 8.133 3.875 -0.190 1.00 0.00 H new ATOM 2036 N LEU B 46 7.116 3.051 4.759 1.00 0.00 N ATOM 2037 CA LEU B 46 6.414 3.316 6.010 1.00 0.00 C ATOM 2038 C LEU B 46 7.155 4.364 6.846 1.00 0.00 C ATOM 2039 O LEU B 46 6.527 5.229 7.462 1.00 0.00 O ATOM 2040 CB LEU B 46 6.254 2.020 6.813 1.00 0.00 C ATOM 2041 CG LEU B 46 5.253 1.016 6.230 1.00 0.00 C ATOM 2042 CD1 LEU B 46 5.889 -0.359 6.088 1.00 0.00 C ATOM 2043 CD2 LEU B 46 4.004 0.940 7.097 1.00 0.00 C ATOM 0 H LEU B 46 8.018 2.589 4.873 1.00 0.00 H new ATOM 0 HA LEU B 46 5.427 3.709 5.767 1.00 0.00 H new ATOM 0 HB2 LEU B 46 7.228 1.536 6.891 1.00 0.00 H new ATOM 0 HB3 LEU B 46 5.942 2.274 7.826 1.00 0.00 H new ATOM 0 HG LEU B 46 4.963 1.362 5.238 1.00 0.00 H new ATOM 0 HD11 LEU B 46 5.161 -1.056 5.673 1.00 0.00 H new ATOM 0 HD12 LEU B 46 6.750 -0.295 5.423 1.00 0.00 H new ATOM 0 HD13 LEU B 46 6.212 -0.713 7.067 1.00 0.00 H new ATOM 0 HD21 LEU B 46 3.306 0.222 6.667 1.00 0.00 H new ATOM 0 HD22 LEU B 46 4.278 0.622 8.103 1.00 0.00 H new ATOM 0 HD23 LEU B 46 3.533 1.922 7.143 1.00 0.00 H new ATOM 2055 N LYS B 47 8.489 4.282 6.866 1.00 0.00 N ATOM 2056 CA LYS B 47 9.305 5.225 7.631 1.00 0.00 C ATOM 2057 C LYS B 47 10.507 5.714 6.821 1.00 0.00 C ATOM 2058 O LYS B 47 10.995 5.016 5.929 1.00 0.00 O ATOM 2059 CB LYS B 47 9.793 4.573 8.928 1.00 0.00 C ATOM 2060 CG LYS B 47 8.832 4.737 10.096 1.00 0.00 C ATOM 2061 CD LYS B 47 9.337 4.023 11.341 1.00 0.00 C ATOM 2062 CE LYS B 47 10.003 4.990 12.309 1.00 0.00 C ATOM 2063 NZ LYS B 47 11.132 4.356 13.046 1.00 0.00 N ATOM 0 H LYS B 47 9.024 3.574 6.362 1.00 0.00 H new ATOM 0 HA LYS B 47 8.678 6.085 7.867 1.00 0.00 H new ATOM 0 HB2 LYS B 47 9.956 3.510 8.750 1.00 0.00 H new ATOM 0 HB3 LYS B 47 10.757 5.003 9.200 1.00 0.00 H new ATOM 0 HG2 LYS B 47 8.699 5.797 10.312 1.00 0.00 H new ATOM 0 HG3 LYS B 47 7.854 4.343 9.821 1.00 0.00 H new ATOM 0 HD2 LYS B 47 8.505 3.525 11.838 1.00 0.00 H new ATOM 0 HD3 LYS B 47 10.047 3.248 11.054 1.00 0.00 H new ATOM 0 HE2 LYS B 47 10.370 5.857 11.760 1.00 0.00 H new ATOM 0 HE3 LYS B 47 9.264 5.355 13.023 1.00 0.00 H new ATOM 0 HZ1 LYS B 47 11.557 5.050 13.694 1.00 0.00 H new ATOM 0 HZ2 LYS B 47 10.778 3.544 13.591 1.00 0.00 H new ATOM 0 HZ3 LYS B 47 11.850 4.031 12.368 1.00 0.00 H new ATOM 2077 N ILE B 48 10.980 6.917 7.151 1.00 0.00 N ATOM 2078 CA ILE B 48 12.128 7.516 6.477 1.00 0.00 C ATOM 2079 C ILE B 48 13.039 8.216 7.486 1.00 0.00 C ATOM 2080 O ILE B 48 12.589 9.077 8.246 1.00 0.00 O ATOM 2081 CB ILE B 48 11.689 8.533 5.398 1.00 0.00 C ATOM 2082 CG1 ILE B 48 10.603 7.928 4.499 1.00 0.00 C ATOM 2083 CG2 ILE B 48 12.883 8.982 4.563 1.00 0.00 C ATOM 2084 CD1 ILE B 48 10.039 8.901 3.487 1.00 0.00 C ATOM 0 H ILE B 48 10.580 7.498 7.888 1.00 0.00 H new ATOM 0 HA ILE B 48 12.673 6.707 5.991 1.00 0.00 H new ATOM 0 HB ILE B 48 11.275 9.407 5.901 1.00 0.00 H new ATOM 0 HG12 ILE B 48 11.017 7.069 3.972 1.00 0.00 H new ATOM 0 HG13 ILE B 48 9.791 7.557 5.125 1.00 0.00 H new ATOM 0 HG21 ILE B 48 12.552 9.697 3.810 1.00 0.00 H new ATOM 0 HG22 ILE B 48 13.623 9.453 5.210 1.00 0.00 H new ATOM 0 HG23 ILE B 48 13.329 8.117 4.071 1.00 0.00 H new ATOM 0 HD11 ILE B 48 9.277 8.402 2.888 1.00 0.00 H new ATOM 0 HD12 ILE B 48 9.594 9.749 4.007 1.00 0.00 H new ATOM 0 HD13 ILE B 48 10.839 9.254 2.836 1.00 0.00 H new ATOM 2096 N ASN B 49 14.318 7.835 7.489 1.00 0.00 N ATOM 2097 CA ASN B 49 15.308 8.408 8.401 1.00 0.00 C ATOM 2098 C ASN B 49 14.841 8.320 9.859 1.00 0.00 C ATOM 2099 O ASN B 49 15.119 9.211 10.666 1.00 0.00 O ATOM 2100 CB ASN B 49 15.600 9.865 8.022 1.00 0.00 C ATOM 2101 CG ASN B 49 16.793 10.003 7.091 1.00 0.00 C ATOM 2102 OD1 ASN B 49 17.636 9.109 7.004 1.00 0.00 O ATOM 2103 ND2 ASN B 49 16.873 11.129 6.387 1.00 0.00 N ATOM 0 H ASN B 49 14.695 7.124 6.862 1.00 0.00 H new ATOM 0 HA ASN B 49 16.225 7.827 8.308 1.00 0.00 H new ATOM 0 HB2 ASN B 49 14.720 10.295 7.544 1.00 0.00 H new ATOM 0 HB3 ASN B 49 15.784 10.442 8.929 1.00 0.00 H new ATOM 0 HD21 ASN B 49 17.653 11.276 5.747 1.00 0.00 H new ATOM 0 HD22 ASN B 49 16.154 11.846 6.488 1.00 0.00 H new ATOM 2110 N GLY B 50 14.133 7.238 10.192 1.00 0.00 N ATOM 2111 CA GLY B 50 13.642 7.055 11.550 1.00 0.00 C ATOM 2112 C GLY B 50 12.414 7.901 11.853 1.00 0.00 C ATOM 2113 O GLY B 50 12.238 8.360 12.982 1.00 0.00 O ATOM 0 H GLY B 50 13.892 6.487 9.545 1.00 0.00 H new ATOM 0 HA2 GLY B 50 13.400 6.004 11.705 1.00 0.00 H new ATOM 0 HA3 GLY B 50 14.434 7.307 12.255 1.00 0.00 H new ATOM 2117 N THR B 51 11.566 8.109 10.846 1.00 0.00 N ATOM 2118 CA THR B 51 10.351 8.907 11.014 1.00 0.00 C ATOM 2119 C THR B 51 9.228 8.372 10.128 1.00 0.00 C ATOM 2120 O THR B 51 9.441 8.090 8.948 1.00 0.00 O ATOM 2121 CB THR B 51 10.621 10.384 10.684 1.00 0.00 C ATOM 2122 OG1 THR B 51 12.003 10.688 10.789 1.00 0.00 O ATOM 2123 CG2 THR B 51 9.875 11.345 11.585 1.00 0.00 C ATOM 0 H THR B 51 11.698 7.736 9.906 1.00 0.00 H new ATOM 0 HA THR B 51 10.041 8.832 12.056 1.00 0.00 H new ATOM 0 HB THR B 51 10.267 10.513 9.661 1.00 0.00 H new ATOM 0 HG1 THR B 51 12.480 10.309 10.021 1.00 0.00 H new ATOM 0 HG21 THR B 51 10.110 12.370 11.298 1.00 0.00 H new ATOM 0 HG22 THR B 51 8.802 11.178 11.487 1.00 0.00 H new ATOM 0 HG23 THR B 51 10.174 11.180 12.620 1.00 0.00 H new ATOM 2131 N VAL B 52 8.034 8.235 10.703 1.00 0.00 N ATOM 2132 CA VAL B 52 6.876 7.733 9.964 1.00 0.00 C ATOM 2133 C VAL B 52 6.307 8.810 9.043 1.00 0.00 C ATOM 2134 O VAL B 52 6.167 9.966 9.443 1.00 0.00 O ATOM 2135 CB VAL B 52 5.754 7.242 10.908 1.00 0.00 C ATOM 2136 CG1 VAL B 52 4.690 6.480 10.126 1.00 0.00 C ATOM 2137 CG2 VAL B 52 6.323 6.372 12.023 1.00 0.00 C ATOM 0 H VAL B 52 7.843 8.465 11.678 1.00 0.00 H new ATOM 0 HA VAL B 52 7.230 6.889 9.372 1.00 0.00 H new ATOM 0 HB VAL B 52 5.289 8.116 11.363 1.00 0.00 H new ATOM 0 HG11 VAL B 52 3.909 6.143 10.808 1.00 0.00 H new ATOM 0 HG12 VAL B 52 4.255 7.135 9.371 1.00 0.00 H new ATOM 0 HG13 VAL B 52 5.144 5.617 9.639 1.00 0.00 H new ATOM 0 HG21 VAL B 52 5.514 6.039 12.673 1.00 0.00 H new ATOM 0 HG22 VAL B 52 6.821 5.504 11.590 1.00 0.00 H new ATOM 0 HG23 VAL B 52 7.042 6.950 12.604 1.00 0.00 H new ATOM 2147 N THR B 53 5.979 8.422 7.809 1.00 0.00 N ATOM 2148 CA THR B 53 5.420 9.359 6.836 1.00 0.00 C ATOM 2149 C THR B 53 3.999 8.965 6.431 1.00 0.00 C ATOM 2150 O THR B 53 3.560 9.254 5.316 1.00 0.00 O ATOM 2151 CB THR B 53 6.320 9.456 5.597 1.00 0.00 C ATOM 2152 OG1 THR B 53 7.044 8.251 5.389 1.00 0.00 O ATOM 2153 CG2 THR B 53 7.319 10.591 5.679 1.00 0.00 C ATOM 0 H THR B 53 6.091 7.469 7.462 1.00 0.00 H new ATOM 0 HA THR B 53 5.374 10.338 7.313 1.00 0.00 H new ATOM 0 HB THR B 53 5.642 9.644 4.765 1.00 0.00 H new ATOM 0 HG1 THR B 53 7.607 8.341 4.592 1.00 0.00 H new ATOM 0 HG21 THR B 53 7.926 10.607 4.774 1.00 0.00 H new ATOM 0 HG22 THR B 53 6.787 11.537 5.777 1.00 0.00 H new ATOM 0 HG23 THR B 53 7.964 10.446 6.546 1.00 0.00 H new ATOM 2161 N GLU B 54 3.272 8.323 7.349 1.00 0.00 N ATOM 2162 CA GLU B 54 1.900 7.917 7.088 1.00 0.00 C ATOM 2163 C GLU B 54 0.947 9.065 7.401 1.00 0.00 C ATOM 2164 O GLU B 54 1.191 9.858 8.312 1.00 0.00 O ATOM 2165 CB GLU B 54 1.529 6.690 7.923 1.00 0.00 C ATOM 2166 CG GLU B 54 0.816 5.602 7.134 1.00 0.00 C ATOM 2167 CD GLU B 54 1.190 4.208 7.596 1.00 0.00 C ATOM 2168 OE1 GLU B 54 2.372 3.831 7.450 1.00 0.00 O ATOM 2169 OE2 GLU B 54 0.300 3.493 8.101 1.00 0.00 O ATOM 0 H GLU B 54 3.616 8.076 8.277 1.00 0.00 H new ATOM 0 HA GLU B 54 1.814 7.656 6.033 1.00 0.00 H new ATOM 0 HB2 GLU B 54 2.436 6.273 8.361 1.00 0.00 H new ATOM 0 HB3 GLU B 54 0.891 7.004 8.749 1.00 0.00 H new ATOM 0 HG2 GLU B 54 -0.262 5.736 7.230 1.00 0.00 H new ATOM 0 HG3 GLU B 54 1.058 5.707 6.076 1.00 0.00 H new ATOM 2176 N ASN B 55 -0.135 9.148 6.633 1.00 0.00 N ATOM 2177 CA ASN B 55 -1.140 10.199 6.803 1.00 0.00 C ATOM 2178 C ASN B 55 -0.567 11.598 6.526 1.00 0.00 C ATOM 2179 O ASN B 55 -1.220 12.605 6.811 1.00 0.00 O ATOM 2180 CB ASN B 55 -1.739 10.155 8.215 1.00 0.00 C ATOM 2181 CG ASN B 55 -2.091 8.748 8.662 1.00 0.00 C ATOM 2182 OD1 ASN B 55 -1.236 8.004 9.141 1.00 0.00 O ATOM 2183 ND2 ASN B 55 -3.358 8.375 8.511 1.00 0.00 N ATOM 0 H ASN B 55 -0.342 8.494 5.878 1.00 0.00 H new ATOM 0 HA ASN B 55 -1.925 10.007 6.071 1.00 0.00 H new ATOM 0 HB2 ASN B 55 -1.029 10.588 8.919 1.00 0.00 H new ATOM 0 HB3 ASN B 55 -2.635 10.775 8.244 1.00 0.00 H new ATOM 0 HD21 ASN B 55 -3.652 7.441 8.797 1.00 0.00 H new ATOM 0 HD22 ASN B 55 -4.036 9.023 8.109 1.00 0.00 H new ATOM 2190 N MET B 56 0.647 11.663 5.966 1.00 0.00 N ATOM 2191 CA MET B 56 1.280 12.942 5.658 1.00 0.00 C ATOM 2192 C MET B 56 1.128 13.283 4.175 1.00 0.00 C ATOM 2193 O MET B 56 0.806 12.418 3.360 1.00 0.00 O ATOM 2194 CB MET B 56 2.764 12.899 6.035 1.00 0.00 C ATOM 2195 CG MET B 56 3.191 14.023 6.967 1.00 0.00 C ATOM 2196 SD MET B 56 3.157 13.541 8.705 1.00 0.00 S ATOM 2197 CE MET B 56 4.247 12.118 8.692 1.00 0.00 C ATOM 0 H MET B 56 1.205 10.846 5.719 1.00 0.00 H new ATOM 0 HA MET B 56 0.784 13.717 6.242 1.00 0.00 H new ATOM 0 HB2 MET B 56 2.981 11.942 6.510 1.00 0.00 H new ATOM 0 HB3 MET B 56 3.362 12.946 5.125 1.00 0.00 H new ATOM 0 HG2 MET B 56 4.199 14.344 6.703 1.00 0.00 H new ATOM 0 HG3 MET B 56 2.534 14.880 6.820 1.00 0.00 H new ATOM 0 HE1 MET B 56 4.664 11.970 9.688 1.00 0.00 H new ATOM 0 HE2 MET B 56 3.685 11.232 8.399 1.00 0.00 H new ATOM 0 HE3 MET B 56 5.056 12.286 7.981 1.00 0.00 H new ATOM 2207 N SER B 57 1.370 14.548 3.833 1.00 0.00 N ATOM 2208 CA SER B 57 1.268 14.998 2.448 1.00 0.00 C ATOM 2209 C SER B 57 2.490 14.556 1.650 1.00 0.00 C ATOM 2210 O SER B 57 3.573 14.371 2.209 1.00 0.00 O ATOM 2211 CB SER B 57 1.120 16.523 2.388 1.00 0.00 C ATOM 2212 OG SER B 57 2.358 17.174 2.628 1.00 0.00 O ATOM 0 H SER B 57 1.637 15.277 4.495 1.00 0.00 H new ATOM 0 HA SER B 57 0.381 14.544 2.006 1.00 0.00 H new ATOM 0 HB2 SER B 57 0.738 16.815 1.410 1.00 0.00 H new ATOM 0 HB3 SER B 57 0.387 16.848 3.127 1.00 0.00 H new ATOM 0 HG SER B 57 2.636 17.016 3.554 1.00 0.00 H new ATOM 2218 N LEU B 58 2.316 14.394 0.339 1.00 0.00 N ATOM 2219 CA LEU B 58 3.415 13.983 -0.530 1.00 0.00 C ATOM 2220 C LEU B 58 4.585 14.960 -0.419 1.00 0.00 C ATOM 2221 O LEU B 58 5.743 14.580 -0.597 1.00 0.00 O ATOM 2222 CB LEU B 58 2.949 13.896 -1.986 1.00 0.00 C ATOM 2223 CG LEU B 58 3.959 13.269 -2.951 1.00 0.00 C ATOM 2224 CD1 LEU B 58 4.050 11.769 -2.725 1.00 0.00 C ATOM 2225 CD2 LEU B 58 3.579 13.574 -4.394 1.00 0.00 C ATOM 0 H LEU B 58 1.428 14.541 -0.142 1.00 0.00 H new ATOM 0 HA LEU B 58 3.748 12.997 -0.207 1.00 0.00 H new ATOM 0 HB2 LEU B 58 2.026 13.317 -2.023 1.00 0.00 H new ATOM 0 HB3 LEU B 58 2.709 14.900 -2.336 1.00 0.00 H new ATOM 0 HG LEU B 58 4.939 13.704 -2.757 1.00 0.00 H new ATOM 0 HD11 LEU B 58 4.772 11.340 -3.419 1.00 0.00 H new ATOM 0 HD12 LEU B 58 4.370 11.574 -1.702 1.00 0.00 H new ATOM 0 HD13 LEU B 58 3.073 11.316 -2.892 1.00 0.00 H new ATOM 0 HD21 LEU B 58 4.308 13.121 -5.066 1.00 0.00 H new ATOM 0 HD22 LEU B 58 2.590 13.167 -4.604 1.00 0.00 H new ATOM 0 HD23 LEU B 58 3.567 14.653 -4.547 1.00 0.00 H new ATOM 2237 N THR B 59 4.269 16.223 -0.119 1.00 0.00 N ATOM 2238 CA THR B 59 5.290 17.257 0.022 1.00 0.00 C ATOM 2239 C THR B 59 6.213 16.953 1.203 1.00 0.00 C ATOM 2240 O THR B 59 7.425 17.152 1.116 1.00 0.00 O ATOM 2241 CB THR B 59 4.644 18.636 0.207 1.00 0.00 C ATOM 2242 OG1 THR B 59 3.312 18.648 -0.278 1.00 0.00 O ATOM 2243 CG2 THR B 59 5.397 19.746 -0.498 1.00 0.00 C ATOM 0 H THR B 59 3.315 16.551 0.030 1.00 0.00 H new ATOM 0 HA THR B 59 5.884 17.266 -0.892 1.00 0.00 H new ATOM 0 HB THR B 59 4.669 18.819 1.281 1.00 0.00 H new ATOM 0 HG1 THR B 59 2.924 19.538 -0.146 1.00 0.00 H new ATOM 0 HG21 THR B 59 4.889 20.695 -0.328 1.00 0.00 H new ATOM 0 HG22 THR B 59 6.413 19.803 -0.106 1.00 0.00 H new ATOM 0 HG23 THR B 59 5.432 19.540 -1.568 1.00 0.00 H new ATOM 2251 N ASP B 60 5.631 16.467 2.303 1.00 0.00 N ATOM 2252 CA ASP B 60 6.399 16.129 3.500 1.00 0.00 C ATOM 2253 C ASP B 60 7.477 15.093 3.180 1.00 0.00 C ATOM 2254 O ASP B 60 8.639 15.258 3.557 1.00 0.00 O ATOM 2255 CB ASP B 60 5.470 15.596 4.594 1.00 0.00 C ATOM 2256 CG ASP B 60 4.914 16.699 5.476 1.00 0.00 C ATOM 2257 OD1 ASP B 60 5.668 17.218 6.326 1.00 0.00 O ATOM 2258 OD2 ASP B 60 3.723 17.041 5.320 1.00 0.00 O ATOM 0 H ASP B 60 4.628 16.299 2.387 1.00 0.00 H new ATOM 0 HA ASP B 60 6.887 17.036 3.858 1.00 0.00 H new ATOM 0 HB2 ASP B 60 4.645 15.054 4.132 1.00 0.00 H new ATOM 0 HB3 ASP B 60 6.014 14.882 5.212 1.00 0.00 H new ATOM 2263 N ALA B 61 7.087 14.029 2.474 1.00 0.00 N ATOM 2264 CA ALA B 61 8.026 12.974 2.093 1.00 0.00 C ATOM 2265 C ALA B 61 9.183 13.547 1.277 1.00 0.00 C ATOM 2266 O ALA B 61 10.331 13.135 1.440 1.00 0.00 O ATOM 2267 CB ALA B 61 7.311 11.885 1.306 1.00 0.00 C ATOM 0 H ALA B 61 6.130 13.876 2.156 1.00 0.00 H new ATOM 0 HA ALA B 61 8.434 12.535 3.004 1.00 0.00 H new ATOM 0 HB1 ALA B 61 8.024 11.108 1.030 1.00 0.00 H new ATOM 0 HB2 ALA B 61 6.521 11.452 1.920 1.00 0.00 H new ATOM 0 HB3 ALA B 61 6.875 12.314 0.404 1.00 0.00 H new ATOM 2273 N LYS B 62 8.866 14.509 0.409 1.00 0.00 N ATOM 2274 CA LYS B 62 9.874 15.157 -0.426 1.00 0.00 C ATOM 2275 C LYS B 62 10.858 15.949 0.440 1.00 0.00 C ATOM 2276 O LYS B 62 12.041 16.048 0.115 1.00 0.00 O ATOM 2277 CB LYS B 62 9.184 16.057 -1.470 1.00 0.00 C ATOM 2278 CG LYS B 62 9.681 17.500 -1.528 1.00 0.00 C ATOM 2279 CD LYS B 62 10.682 17.699 -2.657 1.00 0.00 C ATOM 2280 CE LYS B 62 10.032 18.351 -3.870 1.00 0.00 C ATOM 2281 NZ LYS B 62 10.805 18.101 -5.120 1.00 0.00 N ATOM 0 H LYS B 62 7.917 14.856 0.267 1.00 0.00 H new ATOM 0 HA LYS B 62 10.447 14.397 -0.958 1.00 0.00 H new ATOM 0 HB2 LYS B 62 9.314 15.607 -2.454 1.00 0.00 H new ATOM 0 HB3 LYS B 62 8.114 16.068 -1.263 1.00 0.00 H new ATOM 0 HG2 LYS B 62 8.835 18.172 -1.668 1.00 0.00 H new ATOM 0 HG3 LYS B 62 10.145 17.765 -0.578 1.00 0.00 H new ATOM 0 HD2 LYS B 62 11.507 18.319 -2.308 1.00 0.00 H new ATOM 0 HD3 LYS B 62 11.106 16.736 -2.943 1.00 0.00 H new ATOM 0 HE2 LYS B 62 9.018 17.968 -3.988 1.00 0.00 H new ATOM 0 HE3 LYS B 62 9.949 19.425 -3.704 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 10.328 18.562 -5.921 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 11.765 18.489 -5.018 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 10.862 17.077 -5.294 1.00 0.00 H new ATOM 2295 N THR B 63 10.356 16.504 1.548 1.00 0.00 N ATOM 2296 CA THR B 63 11.188 17.280 2.468 1.00 0.00 C ATOM 2297 C THR B 63 12.251 16.398 3.121 1.00 0.00 C ATOM 2298 O THR B 63 13.409 16.800 3.235 1.00 0.00 O ATOM 2299 CB THR B 63 10.329 17.929 3.556 1.00 0.00 C ATOM 2300 OG1 THR B 63 9.027 18.229 3.076 1.00 0.00 O ATOM 2301 CG2 THR B 63 10.919 19.210 4.107 1.00 0.00 C ATOM 0 H THR B 63 9.378 16.429 1.828 1.00 0.00 H new ATOM 0 HA THR B 63 11.683 18.059 1.888 1.00 0.00 H new ATOM 0 HB THR B 63 10.290 17.190 4.356 1.00 0.00 H new ATOM 0 HG1 THR B 63 8.501 18.641 3.793 1.00 0.00 H new ATOM 0 HG21 THR B 63 10.258 19.615 4.873 1.00 0.00 H new ATOM 0 HG22 THR B 63 11.896 19.002 4.543 1.00 0.00 H new ATOM 0 HG23 THR B 63 11.028 19.936 3.301 1.00 0.00 H new ATOM 2309 N LEU B 64 11.853 15.195 3.547 1.00 0.00 N ATOM 2310 CA LEU B 64 12.785 14.261 4.182 1.00 0.00 C ATOM 2311 C LEU B 64 13.992 14.016 3.279 1.00 0.00 C ATOM 2312 O LEU B 64 15.123 13.898 3.753 1.00 0.00 O ATOM 2313 CB LEU B 64 12.090 12.933 4.498 1.00 0.00 C ATOM 2314 CG LEU B 64 11.506 12.828 5.907 1.00 0.00 C ATOM 2315 CD1 LEU B 64 10.316 11.878 5.925 1.00 0.00 C ATOM 2316 CD2 LEU B 64 12.575 12.379 6.896 1.00 0.00 C ATOM 0 H LEU B 64 10.898 14.848 3.464 1.00 0.00 H new ATOM 0 HA LEU B 64 13.127 14.706 5.116 1.00 0.00 H new ATOM 0 HB2 LEU B 64 11.288 12.779 3.776 1.00 0.00 H new ATOM 0 HB3 LEU B 64 12.806 12.123 4.356 1.00 0.00 H new ATOM 0 HG LEU B 64 11.155 13.815 6.210 1.00 0.00 H new ATOM 0 HD11 LEU B 64 9.915 11.817 6.937 1.00 0.00 H new ATOM 0 HD12 LEU B 64 9.544 12.249 5.250 1.00 0.00 H new ATOM 0 HD13 LEU B 64 10.636 10.888 5.601 1.00 0.00 H new ATOM 0 HD21 LEU B 64 12.142 12.310 7.894 1.00 0.00 H new ATOM 0 HD22 LEU B 64 12.959 11.403 6.599 1.00 0.00 H new ATOM 0 HD23 LEU B 64 13.390 13.103 6.904 1.00 0.00 H new ATOM 2328 N ILE B 65 13.739 13.957 1.973 1.00 0.00 N ATOM 2329 CA ILE B 65 14.798 13.743 0.994 1.00 0.00 C ATOM 2330 C ILE B 65 15.622 15.016 0.793 1.00 0.00 C ATOM 2331 O ILE B 65 16.819 14.948 0.505 1.00 0.00 O ATOM 2332 CB ILE B 65 14.231 13.282 -0.369 1.00 0.00 C ATOM 2333 CG1 ILE B 65 13.242 12.125 -0.180 1.00 0.00 C ATOM 2334 CG2 ILE B 65 15.364 12.869 -1.298 1.00 0.00 C ATOM 2335 CD1 ILE B 65 12.397 11.842 -1.404 1.00 0.00 C ATOM 0 H ILE B 65 12.807 14.055 1.570 1.00 0.00 H new ATOM 0 HA ILE B 65 15.439 12.955 1.389 1.00 0.00 H new ATOM 0 HB ILE B 65 13.696 14.117 -0.821 1.00 0.00 H new ATOM 0 HG12 ILE B 65 13.796 11.224 0.084 1.00 0.00 H new ATOM 0 HG13 ILE B 65 12.585 12.353 0.659 1.00 0.00 H new ATOM 0 HG21 ILE B 65 14.951 12.547 -2.254 1.00 0.00 H new ATOM 0 HG22 ILE B 65 16.031 13.716 -1.458 1.00 0.00 H new ATOM 0 HG23 ILE B 65 15.922 12.048 -0.848 1.00 0.00 H new ATOM 0 HD11 ILE B 65 11.722 11.012 -1.196 1.00 0.00 H new ATOM 0 HD12 ILE B 65 11.815 12.728 -1.657 1.00 0.00 H new ATOM 0 HD13 ILE B 65 13.045 11.582 -2.241 1.00 0.00 H new ATOM 2347 N GLU B 66 14.981 16.177 0.950 1.00 0.00 N ATOM 2348 CA GLU B 66 15.666 17.458 0.785 1.00 0.00 C ATOM 2349 C GLU B 66 16.548 17.762 1.996 1.00 0.00 C ATOM 2350 O GLU B 66 17.713 18.131 1.848 1.00 0.00 O ATOM 2351 CB GLU B 66 14.654 18.586 0.583 1.00 0.00 C ATOM 2352 CG GLU B 66 14.123 18.687 -0.839 1.00 0.00 C ATOM 2353 CD GLU B 66 14.175 20.102 -1.385 1.00 0.00 C ATOM 2354 OE1 GLU B 66 13.448 20.970 -0.856 1.00 0.00 O ATOM 2355 OE2 GLU B 66 14.940 20.341 -2.343 1.00 0.00 O ATOM 0 H GLU B 66 13.993 16.255 1.190 1.00 0.00 H new ATOM 0 HA GLU B 66 16.299 17.389 -0.099 1.00 0.00 H new ATOM 0 HB2 GLU B 66 13.816 18.436 1.264 1.00 0.00 H new ATOM 0 HB3 GLU B 66 15.120 19.533 0.855 1.00 0.00 H new ATOM 0 HG2 GLU B 66 14.704 18.031 -1.487 1.00 0.00 H new ATOM 0 HG3 GLU B 66 13.093 18.330 -0.864 1.00 0.00 H new ATOM 2362 N ARG B 67 15.982 17.599 3.190 1.00 0.00 N ATOM 2363 CA ARG B 67 16.711 17.852 4.433 1.00 0.00 C ATOM 2364 C ARG B 67 17.911 16.912 4.583 1.00 0.00 C ATOM 2365 O ARG B 67 18.896 17.260 5.234 1.00 0.00 O ATOM 2366 CB ARG B 67 15.777 17.698 5.635 1.00 0.00 C ATOM 2367 CG ARG B 67 15.974 18.763 6.701 1.00 0.00 C ATOM 2368 CD ARG B 67 14.644 19.307 7.202 1.00 0.00 C ATOM 2369 NE ARG B 67 14.205 20.478 6.439 1.00 0.00 N ATOM 2370 CZ ARG B 67 12.948 20.928 6.418 1.00 0.00 C ATOM 2371 NH1 ARG B 67 11.999 20.315 7.120 1.00 0.00 N ATOM 2372 NH2 ARG B 67 12.638 21.997 5.692 1.00 0.00 N ATOM 0 H ARG B 67 15.019 17.292 3.324 1.00 0.00 H new ATOM 0 HA ARG B 67 17.086 18.875 4.394 1.00 0.00 H new ATOM 0 HB2 ARG B 67 14.744 17.730 5.288 1.00 0.00 H new ATOM 0 HB3 ARG B 67 15.933 16.716 6.082 1.00 0.00 H new ATOM 0 HG2 ARG B 67 16.534 18.343 7.537 1.00 0.00 H new ATOM 0 HG3 ARG B 67 16.572 19.579 6.295 1.00 0.00 H new ATOM 0 HD2 ARG B 67 13.886 18.527 7.136 1.00 0.00 H new ATOM 0 HD3 ARG B 67 14.736 19.574 8.255 1.00 0.00 H new ATOM 0 HE ARG B 67 14.902 20.981 5.890 1.00 0.00 H new ATOM 0 HH11 ARG B 67 12.229 19.494 7.680 1.00 0.00 H new ATOM 0 HH12 ARG B 67 11.041 20.666 7.098 1.00 0.00 H new ATOM 0 HH21 ARG B 67 13.360 22.473 5.151 1.00 0.00 H new ATOM 0 HH22 ARG B 67 11.678 22.341 5.675 1.00 0.00 H new ATOM 2386 N SER B 68 17.822 15.721 3.983 1.00 0.00 N ATOM 2387 CA SER B 68 18.900 14.735 4.057 1.00 0.00 C ATOM 2388 C SER B 68 20.208 15.304 3.507 1.00 0.00 C ATOM 2389 O SER B 68 20.317 15.590 2.312 1.00 0.00 O ATOM 2390 CB SER B 68 18.522 13.471 3.287 1.00 0.00 C ATOM 2391 OG SER B 68 19.347 12.382 3.666 1.00 0.00 O ATOM 0 H SER B 68 17.013 15.418 3.441 1.00 0.00 H new ATOM 0 HA SER B 68 19.048 14.484 5.107 1.00 0.00 H new ATOM 0 HB2 SER B 68 17.477 13.224 3.476 1.00 0.00 H new ATOM 0 HB3 SER B 68 18.619 13.650 2.216 1.00 0.00 H new ATOM 0 HG SER B 68 19.621 11.885 2.867 1.00 0.00 H new ATOM 2397 N LYS B 69 21.199 15.460 4.385 1.00 0.00 N ATOM 2398 CA LYS B 69 22.501 15.990 3.986 1.00 0.00 C ATOM 2399 C LYS B 69 23.402 14.884 3.429 1.00 0.00 C ATOM 2400 O LYS B 69 24.206 15.128 2.527 1.00 0.00 O ATOM 2401 CB LYS B 69 23.181 16.678 5.175 1.00 0.00 C ATOM 2402 CG LYS B 69 22.551 18.016 5.540 1.00 0.00 C ATOM 2403 CD LYS B 69 23.191 18.623 6.781 1.00 0.00 C ATOM 2404 CE LYS B 69 22.723 17.928 8.053 1.00 0.00 C ATOM 2405 NZ LYS B 69 23.837 17.722 9.021 1.00 0.00 N ATOM 0 H LYS B 69 21.124 15.227 5.375 1.00 0.00 H new ATOM 0 HA LYS B 69 22.338 16.723 3.196 1.00 0.00 H new ATOM 0 HB2 LYS B 69 23.139 16.017 6.041 1.00 0.00 H new ATOM 0 HB3 LYS B 69 24.235 16.832 4.942 1.00 0.00 H new ATOM 0 HG2 LYS B 69 22.654 18.707 4.703 1.00 0.00 H new ATOM 0 HG3 LYS B 69 21.483 17.880 5.711 1.00 0.00 H new ATOM 0 HD2 LYS B 69 24.276 18.549 6.704 1.00 0.00 H new ATOM 0 HD3 LYS B 69 22.946 19.684 6.835 1.00 0.00 H new ATOM 0 HE2 LYS B 69 21.940 18.523 8.523 1.00 0.00 H new ATOM 0 HE3 LYS B 69 22.282 16.964 7.798 1.00 0.00 H new ATOM 0 HZ1 LYS B 69 23.474 17.246 9.872 1.00 0.00 H new ATOM 0 HZ2 LYS B 69 24.574 17.133 8.582 1.00 0.00 H new ATOM 0 HZ3 LYS B 69 24.242 18.643 9.285 1.00 0.00 H new ATOM 2419 N GLY B 70 23.264 13.669 3.970 1.00 0.00 N ATOM 2420 CA GLY B 70 24.073 12.551 3.510 1.00 0.00 C ATOM 2421 C GLY B 70 23.284 11.258 3.403 1.00 0.00 C ATOM 2422 O GLY B 70 22.418 11.122 2.540 1.00 0.00 O ATOM 0 H GLY B 70 22.607 13.443 4.717 1.00 0.00 H new ATOM 0 HA2 GLY B 70 24.499 12.793 2.536 1.00 0.00 H new ATOM 0 HA3 GLY B 70 24.908 12.406 4.196 1.00 0.00 H new ATOM 2426 N LYS B 71 23.592 10.302 4.278 1.00 0.00 N ATOM 2427 CA LYS B 71 22.913 9.004 4.276 1.00 0.00 C ATOM 2428 C LYS B 71 21.413 9.153 4.549 1.00 0.00 C ATOM 2429 O LYS B 71 20.993 10.018 5.321 1.00 0.00 O ATOM 2430 CB LYS B 71 23.545 8.076 5.318 1.00 0.00 C ATOM 2431 CG LYS B 71 23.105 6.624 5.198 1.00 0.00 C ATOM 2432 CD LYS B 71 23.287 5.875 6.509 1.00 0.00 C ATOM 2433 CE LYS B 71 24.717 5.385 6.681 1.00 0.00 C ATOM 2434 NZ LYS B 71 24.938 4.772 8.020 1.00 0.00 N ATOM 0 H LYS B 71 24.307 10.400 4.998 1.00 0.00 H new ATOM 0 HA LYS B 71 23.032 8.568 3.284 1.00 0.00 H new ATOM 0 HB2 LYS B 71 24.630 8.126 5.224 1.00 0.00 H new ATOM 0 HB3 LYS B 71 23.294 8.440 6.314 1.00 0.00 H new ATOM 0 HG2 LYS B 71 22.058 6.584 4.897 1.00 0.00 H new ATOM 0 HG3 LYS B 71 23.681 6.132 4.414 1.00 0.00 H new ATOM 0 HD2 LYS B 71 23.023 6.528 7.341 1.00 0.00 H new ATOM 0 HD3 LYS B 71 22.605 5.026 6.541 1.00 0.00 H new ATOM 0 HE2 LYS B 71 24.946 4.654 5.905 1.00 0.00 H new ATOM 0 HE3 LYS B 71 25.405 6.219 6.546 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 25.924 4.451 8.096 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 24.745 5.476 8.760 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 24.300 3.960 8.140 1.00 0.00 H new ATOM 2448 N LEU B 72 20.611 8.296 3.911 1.00 0.00 N ATOM 2449 CA LEU B 72 19.159 8.319 4.079 1.00 0.00 C ATOM 2450 C LEU B 72 18.613 6.912 4.318 1.00 0.00 C ATOM 2451 O LEU B 72 18.939 5.977 3.583 1.00 0.00 O ATOM 2452 CB LEU B 72 18.487 8.931 2.844 1.00 0.00 C ATOM 2453 CG LEU B 72 17.376 9.947 3.137 1.00 0.00 C ATOM 2454 CD1 LEU B 72 17.004 10.711 1.876 1.00 0.00 C ATOM 2455 CD2 LEU B 72 16.150 9.256 3.715 1.00 0.00 C ATOM 0 H LEU B 72 20.946 7.576 3.271 1.00 0.00 H new ATOM 0 HA LEU B 72 18.933 8.933 4.951 1.00 0.00 H new ATOM 0 HB2 LEU B 72 19.252 9.418 2.239 1.00 0.00 H new ATOM 0 HB3 LEU B 72 18.069 8.125 2.241 1.00 0.00 H new ATOM 0 HG LEU B 72 17.752 10.655 3.875 1.00 0.00 H new ATOM 0 HD11 LEU B 72 16.214 11.427 2.104 1.00 0.00 H new ATOM 0 HD12 LEU B 72 17.879 11.243 1.501 1.00 0.00 H new ATOM 0 HD13 LEU B 72 16.652 10.012 1.118 1.00 0.00 H new ATOM 0 HD21 LEU B 72 15.375 9.996 3.915 1.00 0.00 H new ATOM 0 HD22 LEU B 72 15.775 8.522 3.001 1.00 0.00 H new ATOM 0 HD23 LEU B 72 16.420 8.753 4.644 1.00 0.00 H new ATOM 2467 N LYS B 73 17.774 6.770 5.343 1.00 0.00 N ATOM 2468 CA LYS B 73 17.171 5.481 5.678 1.00 0.00 C ATOM 2469 C LYS B 73 15.702 5.448 5.252 1.00 0.00 C ATOM 2470 O LYS B 73 15.007 6.462 5.318 1.00 0.00 O ATOM 2471 CB LYS B 73 17.287 5.212 7.183 1.00 0.00 C ATOM 2472 CG LYS B 73 18.017 3.919 7.516 1.00 0.00 C ATOM 2473 CD LYS B 73 17.584 3.361 8.865 1.00 0.00 C ATOM 2474 CE LYS B 73 16.581 2.228 8.707 1.00 0.00 C ATOM 2475 NZ LYS B 73 16.259 1.583 10.010 1.00 0.00 N ATOM 0 H LYS B 73 17.496 7.535 5.958 1.00 0.00 H new ATOM 0 HA LYS B 73 17.709 4.701 5.138 1.00 0.00 H new ATOM 0 HB2 LYS B 73 17.809 6.045 7.653 1.00 0.00 H new ATOM 0 HB3 LYS B 73 16.287 5.177 7.615 1.00 0.00 H new ATOM 0 HG2 LYS B 73 17.824 3.181 6.738 1.00 0.00 H new ATOM 0 HG3 LYS B 73 19.092 4.099 7.525 1.00 0.00 H new ATOM 0 HD2 LYS B 73 18.458 3.001 9.408 1.00 0.00 H new ATOM 0 HD3 LYS B 73 17.143 4.157 9.464 1.00 0.00 H new ATOM 0 HE2 LYS B 73 15.666 2.614 8.257 1.00 0.00 H new ATOM 0 HE3 LYS B 73 16.982 1.481 8.022 1.00 0.00 H new ATOM 0 HZ1 LYS B 73 15.573 0.817 9.858 1.00 0.00 H new ATOM 0 HZ2 LYS B 73 17.127 1.192 10.428 1.00 0.00 H new ATOM 0 HZ3 LYS B 73 15.852 2.289 10.656 1.00 0.00 H new ATOM 2489 N MET B 74 15.239 4.277 4.819 1.00 0.00 N ATOM 2490 CA MET B 74 13.854 4.105 4.383 1.00 0.00 C ATOM 2491 C MET B 74 13.370 2.684 4.661 1.00 0.00 C ATOM 2492 O MET B 74 13.956 1.718 4.177 1.00 0.00 O ATOM 2493 CB MET B 74 13.719 4.420 2.889 1.00 0.00 C ATOM 2494 CG MET B 74 13.371 5.872 2.592 1.00 0.00 C ATOM 2495 SD MET B 74 12.435 6.060 1.062 1.00 0.00 S ATOM 2496 CE MET B 74 13.553 5.307 -0.119 1.00 0.00 C ATOM 0 H MET B 74 15.805 3.430 4.761 1.00 0.00 H new ATOM 0 HA MET B 74 13.234 4.800 4.949 1.00 0.00 H new ATOM 0 HB2 MET B 74 14.656 4.172 2.390 1.00 0.00 H new ATOM 0 HB3 MET B 74 12.950 3.778 2.461 1.00 0.00 H new ATOM 0 HG2 MET B 74 12.792 6.280 3.421 1.00 0.00 H new ATOM 0 HG3 MET B 74 14.289 6.456 2.526 1.00 0.00 H new ATOM 0 HE1 MET B 74 13.180 5.473 -1.130 1.00 0.00 H new ATOM 0 HE2 MET B 74 14.542 5.754 -0.019 1.00 0.00 H new ATOM 0 HE3 MET B 74 13.618 4.236 0.073 1.00 0.00 H new ATOM 2506 N VAL B 75 12.300 2.562 5.443 1.00 0.00 N ATOM 2507 CA VAL B 75 11.743 1.254 5.781 1.00 0.00 C ATOM 2508 C VAL B 75 10.540 0.931 4.899 1.00 0.00 C ATOM 2509 O VAL B 75 9.554 1.670 4.886 1.00 0.00 O ATOM 2510 CB VAL B 75 11.318 1.180 7.262 1.00 0.00 C ATOM 2511 CG1 VAL B 75 10.920 -0.243 7.637 1.00 0.00 C ATOM 2512 CG2 VAL B 75 12.433 1.684 8.167 1.00 0.00 C ATOM 0 H VAL B 75 11.802 3.351 5.854 1.00 0.00 H new ATOM 0 HA VAL B 75 12.531 0.521 5.607 1.00 0.00 H new ATOM 0 HB VAL B 75 10.450 1.824 7.401 1.00 0.00 H new ATOM 0 HG11 VAL B 75 10.624 -0.274 8.685 1.00 0.00 H new ATOM 0 HG12 VAL B 75 10.085 -0.563 7.014 1.00 0.00 H new ATOM 0 HG13 VAL B 75 11.767 -0.911 7.480 1.00 0.00 H new ATOM 0 HG21 VAL B 75 12.113 1.623 9.207 1.00 0.00 H new ATOM 0 HG22 VAL B 75 13.322 1.070 8.025 1.00 0.00 H new ATOM 0 HG23 VAL B 75 12.663 2.720 7.918 1.00 0.00 H new ATOM 2522 N VAL B 76 10.633 -0.173 4.160 1.00 0.00 N ATOM 2523 CA VAL B 76 9.555 -0.595 3.268 1.00 0.00 C ATOM 2524 C VAL B 76 9.004 -1.968 3.659 1.00 0.00 C ATOM 2525 O VAL B 76 9.662 -2.736 4.367 1.00 0.00 O ATOM 2526 CB VAL B 76 10.032 -0.637 1.800 1.00 0.00 C ATOM 2527 CG1 VAL B 76 10.440 0.751 1.333 1.00 0.00 C ATOM 2528 CG2 VAL B 76 11.181 -1.620 1.637 1.00 0.00 C ATOM 0 H VAL B 76 11.444 -0.792 4.161 1.00 0.00 H new ATOM 0 HA VAL B 76 8.759 0.143 3.366 1.00 0.00 H new ATOM 0 HB VAL B 76 9.204 -0.977 1.179 1.00 0.00 H new ATOM 0 HG11 VAL B 76 10.773 0.703 0.296 1.00 0.00 H new ATOM 0 HG12 VAL B 76 9.587 1.426 1.409 1.00 0.00 H new ATOM 0 HG13 VAL B 76 11.252 1.121 1.959 1.00 0.00 H new ATOM 0 HG21 VAL B 76 11.502 -1.635 0.596 1.00 0.00 H new ATOM 0 HG22 VAL B 76 12.014 -1.314 2.270 1.00 0.00 H new ATOM 0 HG23 VAL B 76 10.851 -2.617 1.929 1.00 0.00 H new ATOM 2538 N GLN B 77 7.793 -2.270 3.189 1.00 0.00 N ATOM 2539 CA GLN B 77 7.144 -3.547 3.481 1.00 0.00 C ATOM 2540 C GLN B 77 7.338 -4.537 2.330 1.00 0.00 C ATOM 2541 O GLN B 77 7.599 -4.137 1.193 1.00 0.00 O ATOM 2542 CB GLN B 77 5.649 -3.336 3.744 1.00 0.00 C ATOM 2543 CG GLN B 77 5.232 -3.631 5.178 1.00 0.00 C ATOM 2544 CD GLN B 77 3.725 -3.644 5.359 1.00 0.00 C ATOM 2545 OE1 GLN B 77 3.089 -2.494 5.160 1.00 0.00 O flip ATOM 2546 NE2 GLN B 77 3.137 -4.678 5.678 1.00 0.00 N flip ATOM 0 H GLN B 77 7.241 -1.644 2.602 1.00 0.00 H new ATOM 0 HA GLN B 77 7.608 -3.964 4.375 1.00 0.00 H new ATOM 0 HB2 GLN B 77 5.389 -2.305 3.504 1.00 0.00 H new ATOM 0 HB3 GLN B 77 5.077 -3.974 3.070 1.00 0.00 H new ATOM 0 HG2 GLN B 77 5.638 -4.597 5.479 1.00 0.00 H new ATOM 0 HG3 GLN B 77 5.667 -2.882 5.840 1.00 0.00 H new ATOM 0 HE21 GLN B 77 3.663 -5.540 5.821 1.00 0.00 H new ATOM 0 HE22 GLN B 77 2.124 -4.672 5.799 1.00 0.00 H new