USER MOD reduce.3.24.130724 H: found=0, std=0, add=1428, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1418 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 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: B 81 THR OG1 : rot 81:sc= 1.2 USER MOD Set 2.1: A 71 GLN : amide:sc= -0.792 K(o=-0.78,f=-4.7!) USER MOD Set 2.2: B 78 SER OG : rot 114:sc= 0.0119 USER MOD Set 3.1: A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: B 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 78 SER OG : rot 113:sc= 0.11 USER MOD Set 4.2: B 71 GLN : amide:sc= -0.836 K(o=-0.73,f=-5.1!) USER MOD Set 5.1: B 25 HIS : no HE2:sc= -1.35 X(o=-2.1,f=-2.5) USER MOD Set 5.2: B 26 LYS NZ :NH3+ -125:sc= -0.784 (180deg=-0.661) USER MOD Set 6.1: A 81 THR OG1 : rot 93:sc= 1.2 USER MOD Set 6.2: B 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 7.1: A 25 HIS : no HE2:sc= -1.36 X(o=-2.2,f=-2.6) USER MOD Set 7.2: A 26 LYS NZ :NH3+ -123:sc= -0.84 (180deg=-0.729) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ 154:sc= 0.388 (180deg=-0.178!) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 159:sc= -0.0413 (180deg=-0.443) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= -4.16! C(o=-4.2!,f=-3.6!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 70:sc= 0.535 USER MOD Single : A 24 LYS NZ :NH3+ -164:sc=-0.00471 (180deg=-0.204) USER MOD Single : A 28 LYS NZ :NH3+ 158:sc= -0.0676 (180deg=-0.65) USER MOD Single : A 29 LYS NZ :NH3+ -178:sc= -0.291 (180deg=-0.306) USER MOD Single : A 30 SER OG : rot 180:sc= -0.159 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.256 X(o=-0.26,f=-0.032) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 41 SER OG : rot -96:sc= 0.984 USER MOD Single : A 42 HIS : no HD1:sc= -0.044 X(o=-0.044,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -156:sc= -0.211 (180deg=-0.936) USER MOD Single : A 57 MET CE :methyl -164:sc= 0 (180deg=-0.132) USER MOD Single : A 59 THR OG1 : rot -6:sc= -0.297 USER MOD Single : A 68 CYS SG : rot -28:sc= 0.277 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot -71:sc= -0.368 USER MOD Single : A 84 CYS SG : rot -84:sc= 0.529 USER MOD Single : A 85 HIS : no HD1:sc= -0.929! C(o=-0.93!,f=-6.8!) USER MOD Single : A 90 HIS : no HD1:sc= -2.04! C(o=-2!,f=-4.4!) USER MOD Single : B 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 0 MET N :NH3+ 157:sc= 0.226 (180deg=-0.258!) USER MOD Single : B 1 SER OG : rot 180:sc= 0 USER MOD Single : B 5 LYS NZ :NH3+ 160:sc= -0.0746 (180deg=-0.456) USER MOD Single : B 15 HIS : no HD1:sc= 0 X(o=0,f=-6.9e-07) USER MOD Single : B 16 GLN : amide:sc= -4.11! C(o=-4.1!,f=-3.5!) USER MOD Single : B 17 TYR OH : rot 180:sc= 0 USER MOD Single : B 18 SER OG : rot 63:sc= 0.518 USER MOD Single : B 24 LYS NZ :NH3+ -163:sc=-0.00553 (180deg=-0.196) USER MOD Single : B 28 LYS NZ :NH3+ 157:sc= -0.0767 (180deg=-0.667) USER MOD Single : B 29 LYS NZ :NH3+ -177:sc= -0.315 (180deg=-0.319) USER MOD Single : B 30 SER OG : rot 180:sc= -0.139 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 ASN : amide:sc= -0.256 X(o=-0.26,f=-0.026) USER MOD Single : B 38 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : B 41 SER OG : rot -70:sc= 0.763 USER MOD Single : B 42 HIS : no HD1:sc= -0.0289 X(o=-0.029,f=0) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 55 LYS NZ :NH3+ -158:sc= -0.234 (180deg=-1.08) USER MOD Single : B 57 MET CE :methyl -165:sc= 0 (180deg=-0.151) USER MOD Single : B 59 THR OG1 : rot 2:sc= -0.18 USER MOD Single : B 68 CYS SG : rot -39:sc= 0.303 USER MOD Single : B 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 82 THR OG1 : rot -76:sc= -0.396 USER MOD Single : B 84 CYS SG : rot -83:sc= 0.376 USER MOD Single : B 85 HIS : no HD1:sc= -1.21! C(o=-1.2!,f=-7!) USER MOD Single : B 90 HIS : no HD1:sc= -2.12! C(o=-2.1!,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -11.288 7.259 13.986 1.00 0.00 N ATOM 2 CA MET A 0 -9.921 6.728 14.247 1.00 0.00 C ATOM 3 C MET A 0 -9.969 5.199 14.295 1.00 0.00 C ATOM 4 O MET A 0 -9.534 4.586 15.250 1.00 0.00 O ATOM 5 CB MET A 0 -9.414 7.263 15.588 1.00 0.00 C ATOM 6 CG MET A 0 -9.110 8.757 15.460 1.00 0.00 C ATOM 7 SD MET A 0 -10.649 9.664 15.168 1.00 0.00 S ATOM 8 CE MET A 0 -10.152 11.215 15.955 1.00 0.00 C ATOM 0 H1 MET A 0 -11.367 8.221 14.373 1.00 0.00 H new ATOM 0 H2 MET A 0 -11.461 7.283 12.961 1.00 0.00 H new ATOM 0 H3 MET A 0 -11.992 6.644 14.441 1.00 0.00 H new ATOM 0 HA MET A 0 -9.249 7.047 13.450 1.00 0.00 H new ATOM 0 HB2 MET A 0 -10.162 7.099 16.363 1.00 0.00 H new ATOM 0 HB3 MET A 0 -8.517 6.723 15.891 1.00 0.00 H new ATOM 0 HG2 MET A 0 -8.628 9.120 16.368 1.00 0.00 H new ATOM 0 HG3 MET A 0 -8.413 8.928 14.639 1.00 0.00 H new ATOM 0 HE1 MET A 0 -10.968 11.934 15.890 1.00 0.00 H new ATOM 0 HE2 MET A 0 -9.913 11.031 17.003 1.00 0.00 H new ATOM 0 HE3 MET A 0 -9.274 11.615 15.448 1.00 0.00 H new ATOM 20 N SER A 1 -10.491 4.578 13.273 1.00 0.00 N ATOM 21 CA SER A 1 -10.561 3.089 13.267 1.00 0.00 C ATOM 22 C SER A 1 -9.145 2.516 13.344 1.00 0.00 C ATOM 23 O SER A 1 -8.172 3.218 13.149 1.00 0.00 O ATOM 24 CB SER A 1 -11.239 2.611 11.982 1.00 0.00 C ATOM 25 OG SER A 1 -10.415 2.933 10.869 1.00 0.00 O ATOM 0 H SER A 1 -10.871 5.035 12.444 1.00 0.00 H new ATOM 0 HA SER A 1 -11.140 2.748 14.126 1.00 0.00 H new ATOM 0 HB2 SER A 1 -11.408 1.535 12.025 1.00 0.00 H new ATOM 0 HB3 SER A 1 -12.216 3.083 11.875 1.00 0.00 H new ATOM 0 HG SER A 1 -10.846 2.627 10.044 1.00 0.00 H new ATOM 31 N GLU A 2 -9.018 1.249 13.630 1.00 0.00 N ATOM 32 CA GLU A 2 -7.661 0.644 13.722 1.00 0.00 C ATOM 33 C GLU A 2 -6.916 0.855 12.402 1.00 0.00 C ATOM 34 O GLU A 2 -5.717 1.051 12.378 1.00 0.00 O ATOM 35 CB GLU A 2 -7.789 -0.855 14.002 1.00 0.00 C ATOM 36 CG GLU A 2 -6.398 -1.463 14.192 1.00 0.00 C ATOM 37 CD GLU A 2 -6.533 -2.929 14.610 1.00 0.00 C ATOM 38 OE1 GLU A 2 -7.182 -3.671 13.891 1.00 0.00 O ATOM 39 OE2 GLU A 2 -5.985 -3.283 15.641 1.00 0.00 O ATOM 0 H GLU A 2 -9.793 0.609 13.803 1.00 0.00 H new ATOM 0 HA GLU A 2 -7.106 1.119 14.531 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.393 -1.018 14.895 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.302 -1.347 13.176 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -5.828 -1.389 13.266 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.847 -0.907 14.951 1.00 0.00 H new ATOM 46 N LEU A 3 -7.618 0.807 11.303 1.00 0.00 N ATOM 47 CA LEU A 3 -6.952 0.995 9.983 1.00 0.00 C ATOM 48 C LEU A 3 -6.277 2.366 9.938 1.00 0.00 C ATOM 49 O LEU A 3 -5.099 2.477 9.665 1.00 0.00 O ATOM 50 CB LEU A 3 -8.002 0.900 8.867 1.00 0.00 C ATOM 51 CG LEU A 3 -7.389 1.296 7.516 1.00 0.00 C ATOM 52 CD1 LEU A 3 -6.103 0.498 7.265 1.00 0.00 C ATOM 53 CD2 LEU A 3 -8.402 0.996 6.409 1.00 0.00 C ATOM 0 H LEU A 3 -8.624 0.646 11.262 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.198 0.220 9.842 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.392 -0.116 8.812 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -8.845 1.553 9.096 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.146 2.358 7.524 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.677 0.787 6.304 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.385 0.707 8.058 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -6.332 -0.568 7.254 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -7.979 1.273 5.444 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -8.638 -0.068 6.410 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -9.312 1.569 6.584 1.00 0.00 H new ATOM 65 N GLU A 4 -7.013 3.412 10.199 1.00 0.00 N ATOM 66 CA GLU A 4 -6.405 4.770 10.163 1.00 0.00 C ATOM 67 C GLU A 4 -5.194 4.806 11.093 1.00 0.00 C ATOM 68 O GLU A 4 -4.129 5.262 10.734 1.00 0.00 O ATOM 69 CB GLU A 4 -7.437 5.805 10.619 1.00 0.00 C ATOM 70 CG GLU A 4 -8.504 5.973 9.535 1.00 0.00 C ATOM 71 CD GLU A 4 -9.492 7.062 9.957 1.00 0.00 C ATOM 72 OE1 GLU A 4 -9.737 7.182 11.146 1.00 0.00 O ATOM 73 OE2 GLU A 4 -9.986 7.756 9.085 1.00 0.00 O ATOM 0 H GLU A 4 -8.005 3.384 10.435 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.089 5.003 9.146 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.899 5.486 11.553 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.949 6.760 10.815 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -8.036 6.239 8.587 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -9.030 5.031 9.378 1.00 0.00 H new ATOM 80 N LYS A 5 -5.357 4.307 12.287 1.00 0.00 N ATOM 81 CA LYS A 5 -4.232 4.285 13.262 1.00 0.00 C ATOM 82 C LYS A 5 -2.979 3.723 12.590 1.00 0.00 C ATOM 83 O LYS A 5 -1.884 4.223 12.758 1.00 0.00 O ATOM 84 CB LYS A 5 -4.615 3.369 14.428 1.00 0.00 C ATOM 85 CG LYS A 5 -3.605 3.537 15.566 1.00 0.00 C ATOM 86 CD LYS A 5 -4.106 2.794 16.805 1.00 0.00 C ATOM 87 CE LYS A 5 -3.129 3.014 17.961 1.00 0.00 C ATOM 88 NZ LYS A 5 -3.159 4.448 18.370 1.00 0.00 N ATOM 0 H LYS A 5 -6.231 3.910 12.632 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.034 5.297 13.616 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.618 3.611 14.780 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -4.635 2.331 14.097 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.633 3.148 15.264 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.469 4.594 15.793 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -5.098 3.152 17.080 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.199 1.729 16.591 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.398 2.378 18.805 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.121 2.732 17.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.796 4.540 19.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.565 5.006 17.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.137 4.799 18.332 1.00 0.00 H new ATOM 102 N ALA A 6 -3.146 2.669 11.838 1.00 0.00 N ATOM 103 CA ALA A 6 -1.994 2.027 11.145 1.00 0.00 C ATOM 104 C ALA A 6 -1.616 2.809 9.878 1.00 0.00 C ATOM 105 O ALA A 6 -0.472 2.808 9.469 1.00 0.00 O ATOM 106 CB ALA A 6 -2.375 0.581 10.787 1.00 0.00 C ATOM 0 H ALA A 6 -4.046 2.219 11.673 1.00 0.00 H new ATOM 0 HA ALA A 6 -1.128 2.027 11.807 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -1.539 0.100 10.279 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -2.611 0.031 11.698 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -3.245 0.586 10.130 1.00 0.00 H new ATOM 112 N MET A 7 -2.542 3.478 9.251 1.00 0.00 N ATOM 113 CA MET A 7 -2.173 4.240 8.023 1.00 0.00 C ATOM 114 C MET A 7 -1.089 5.261 8.396 1.00 0.00 C ATOM 115 O MET A 7 -0.126 5.453 7.681 1.00 0.00 O ATOM 116 CB MET A 7 -3.420 4.956 7.464 1.00 0.00 C ATOM 117 CG MET A 7 -3.327 5.071 5.935 1.00 0.00 C ATOM 118 SD MET A 7 -1.665 5.613 5.463 1.00 0.00 S ATOM 119 CE MET A 7 -1.575 4.732 3.883 1.00 0.00 C ATOM 0 H MET A 7 -3.522 3.532 9.528 1.00 0.00 H new ATOM 0 HA MET A 7 -1.792 3.566 7.256 1.00 0.00 H new ATOM 0 HB2 MET A 7 -4.319 4.405 7.740 1.00 0.00 H new ATOM 0 HB3 MET A 7 -3.507 5.949 7.906 1.00 0.00 H new ATOM 0 HG2 MET A 7 -3.551 4.109 5.474 1.00 0.00 H new ATOM 0 HG3 MET A 7 -4.069 5.780 5.568 1.00 0.00 H new ATOM 0 HE1 MET A 7 -0.613 4.929 3.411 1.00 0.00 H new ATOM 0 HE2 MET A 7 -1.681 3.661 4.057 1.00 0.00 H new ATOM 0 HE3 MET A 7 -2.377 5.075 3.229 1.00 0.00 H new ATOM 129 N VAL A 8 -1.240 5.902 9.521 1.00 0.00 N ATOM 130 CA VAL A 8 -0.227 6.901 9.969 1.00 0.00 C ATOM 131 C VAL A 8 1.074 6.183 10.352 1.00 0.00 C ATOM 132 O VAL A 8 2.157 6.703 10.170 1.00 0.00 O ATOM 133 CB VAL A 8 -0.771 7.653 11.188 1.00 0.00 C ATOM 134 CG1 VAL A 8 0.069 8.909 11.434 1.00 0.00 C ATOM 135 CG2 VAL A 8 -2.221 8.064 10.923 1.00 0.00 C ATOM 0 H VAL A 8 -2.029 5.776 10.156 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.025 7.603 9.160 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.724 7.005 12.063 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.320 9.442 12.301 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.105 8.624 11.618 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.021 9.556 10.558 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.611 8.599 11.788 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.261 8.712 10.047 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.825 7.174 10.744 1.00 0.00 H new ATOM 145 N ALA A 9 0.974 4.991 10.879 1.00 0.00 N ATOM 146 CA ALA A 9 2.198 4.232 11.276 1.00 0.00 C ATOM 147 C ALA A 9 3.077 3.970 10.049 1.00 0.00 C ATOM 148 O ALA A 9 4.264 4.229 10.051 1.00 0.00 O ATOM 149 CB ALA A 9 1.768 2.886 11.862 1.00 0.00 C ATOM 0 H ALA A 9 0.093 4.508 11.053 1.00 0.00 H new ATOM 0 HA ALA A 9 2.761 4.812 12.007 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.651 2.319 12.157 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.136 3.054 12.734 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.210 2.325 11.113 1.00 0.00 H new ATOM 155 N LEU A 10 2.496 3.437 9.010 1.00 0.00 N ATOM 156 CA LEU A 10 3.274 3.123 7.778 1.00 0.00 C ATOM 157 C LEU A 10 4.035 4.361 7.315 1.00 0.00 C ATOM 158 O LEU A 10 5.241 4.358 7.166 1.00 0.00 O ATOM 159 CB LEU A 10 2.273 2.713 6.668 1.00 0.00 C ATOM 160 CG LEU A 10 2.050 1.191 6.664 1.00 0.00 C ATOM 161 CD1 LEU A 10 1.326 0.768 7.942 1.00 0.00 C ATOM 162 CD2 LEU A 10 1.198 0.810 5.451 1.00 0.00 C ATOM 0 H LEU A 10 1.504 3.203 8.961 1.00 0.00 H new ATOM 0 HA LEU A 10 3.982 2.320 7.983 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.322 3.223 6.824 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.651 3.032 5.696 1.00 0.00 H new ATOM 0 HG LEU A 10 3.015 0.686 6.614 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.171 -0.311 7.932 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.928 1.041 8.809 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.361 1.272 7.998 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.037 -0.268 5.444 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.236 1.320 5.507 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.713 1.106 4.537 1.00 0.00 H new ATOM 174 N ILE A 11 3.313 5.411 7.065 1.00 0.00 N ATOM 175 CA ILE A 11 3.943 6.665 6.582 1.00 0.00 C ATOM 176 C ILE A 11 4.991 7.143 7.581 1.00 0.00 C ATOM 177 O ILE A 11 6.028 7.652 7.204 1.00 0.00 O ATOM 178 CB ILE A 11 2.867 7.742 6.426 1.00 0.00 C ATOM 179 CG1 ILE A 11 1.757 7.231 5.500 1.00 0.00 C ATOM 180 CG2 ILE A 11 3.490 9.002 5.821 1.00 0.00 C ATOM 181 CD1 ILE A 11 0.548 8.165 5.587 1.00 0.00 C ATOM 0 H ILE A 11 2.300 5.455 7.176 1.00 0.00 H new ATOM 0 HA ILE A 11 4.424 6.477 5.622 1.00 0.00 H new ATOM 0 HB ILE A 11 2.446 7.975 7.404 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.119 7.183 4.473 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.469 6.219 5.784 1.00 0.00 H new ATOM 0 HG21 ILE A 11 2.724 9.769 5.710 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.279 9.369 6.478 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.912 8.766 4.844 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.241 7.801 4.929 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.181 8.191 6.613 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.841 9.169 5.281 1.00 0.00 H new ATOM 193 N ASP A 12 4.724 7.022 8.853 1.00 0.00 N ATOM 194 CA ASP A 12 5.708 7.516 9.852 1.00 0.00 C ATOM 195 C ASP A 12 6.966 6.639 9.856 1.00 0.00 C ATOM 196 O ASP A 12 8.060 7.133 10.037 1.00 0.00 O ATOM 197 CB ASP A 12 5.077 7.533 11.247 1.00 0.00 C ATOM 198 CG ASP A 12 3.924 8.538 11.278 1.00 0.00 C ATOM 199 OD1 ASP A 12 3.629 9.105 10.239 1.00 0.00 O ATOM 200 OD2 ASP A 12 3.355 8.723 12.341 1.00 0.00 O ATOM 0 H ASP A 12 3.876 6.607 9.239 1.00 0.00 H new ATOM 0 HA ASP A 12 5.996 8.531 9.577 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.713 6.538 11.504 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.826 7.801 11.992 1.00 0.00 H new ATOM 205 N VAL A 13 6.844 5.345 9.669 1.00 0.00 N ATOM 206 CA VAL A 13 8.077 4.502 9.684 1.00 0.00 C ATOM 207 C VAL A 13 8.894 4.771 8.418 1.00 0.00 C ATOM 208 O VAL A 13 10.109 4.784 8.454 1.00 0.00 O ATOM 209 CB VAL A 13 7.718 3.019 9.796 1.00 0.00 C ATOM 210 CG1 VAL A 13 8.985 2.172 9.653 1.00 0.00 C ATOM 211 CG2 VAL A 13 7.081 2.754 11.163 1.00 0.00 C ATOM 0 H VAL A 13 5.967 4.849 9.511 1.00 0.00 H new ATOM 0 HA VAL A 13 8.677 4.763 10.555 1.00 0.00 H new ATOM 0 HB VAL A 13 7.015 2.755 9.006 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.728 1.116 9.733 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.442 2.362 8.682 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.689 2.435 10.442 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.824 1.698 11.246 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.786 3.019 11.951 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.178 3.356 11.267 1.00 0.00 H new ATOM 221 N PHE A 14 8.258 5.021 7.310 1.00 0.00 N ATOM 222 CA PHE A 14 9.042 5.323 6.080 1.00 0.00 C ATOM 223 C PHE A 14 9.885 6.570 6.348 1.00 0.00 C ATOM 224 O PHE A 14 10.987 6.709 5.856 1.00 0.00 O ATOM 225 CB PHE A 14 8.100 5.592 4.905 1.00 0.00 C ATOM 226 CG PHE A 14 8.915 5.947 3.682 1.00 0.00 C ATOM 227 CD1 PHE A 14 9.397 7.252 3.513 1.00 0.00 C ATOM 228 CD2 PHE A 14 9.189 4.971 2.716 1.00 0.00 C ATOM 229 CE1 PHE A 14 10.152 7.579 2.379 1.00 0.00 C ATOM 230 CE2 PHE A 14 9.944 5.299 1.583 1.00 0.00 C ATOM 231 CZ PHE A 14 10.425 6.602 1.415 1.00 0.00 C ATOM 0 H PHE A 14 7.244 5.030 7.201 1.00 0.00 H new ATOM 0 HA PHE A 14 9.678 4.474 5.829 1.00 0.00 H new ATOM 0 HB2 PHE A 14 7.488 4.712 4.706 1.00 0.00 H new ATOM 0 HB3 PHE A 14 7.418 6.406 5.150 1.00 0.00 H new ATOM 0 HD1 PHE A 14 9.186 8.006 4.257 1.00 0.00 H new ATOM 0 HD2 PHE A 14 8.818 3.965 2.845 1.00 0.00 H new ATOM 0 HE1 PHE A 14 10.523 8.585 2.249 1.00 0.00 H new ATOM 0 HE2 PHE A 14 10.155 4.546 0.838 1.00 0.00 H new ATOM 0 HZ PHE A 14 11.007 6.854 0.541 1.00 0.00 H new ATOM 241 N HIS A 15 9.369 7.477 7.133 1.00 0.00 N ATOM 242 CA HIS A 15 10.131 8.717 7.444 1.00 0.00 C ATOM 243 C HIS A 15 11.252 8.397 8.436 1.00 0.00 C ATOM 244 O HIS A 15 12.287 9.034 8.451 1.00 0.00 O ATOM 245 CB HIS A 15 9.189 9.755 8.058 1.00 0.00 C ATOM 246 CG HIS A 15 9.918 11.060 8.220 1.00 0.00 C ATOM 247 ND1 HIS A 15 10.173 11.615 9.464 1.00 0.00 N ATOM 248 CD2 HIS A 15 10.453 11.931 7.303 1.00 0.00 C ATOM 249 CE1 HIS A 15 10.834 12.770 9.264 1.00 0.00 C ATOM 250 NE2 HIS A 15 11.031 13.010 7.965 1.00 0.00 N ATOM 0 H HIS A 15 8.451 7.411 7.572 1.00 0.00 H new ATOM 0 HA HIS A 15 10.563 9.115 6.526 1.00 0.00 H new ATOM 0 HB2 HIS A 15 8.315 9.891 7.421 1.00 0.00 H new ATOM 0 HB3 HIS A 15 8.827 9.406 9.025 1.00 0.00 H new ATOM 0 HD2 HIS A 15 10.429 11.799 6.231 1.00 0.00 H new ATOM 0 HE1 HIS A 15 11.165 13.424 10.058 1.00 0.00 H new ATOM 0 HE2 HIS A 15 11.504 13.812 7.548 1.00 0.00 H new ATOM 258 N GLN A 16 11.039 7.420 9.280 1.00 0.00 N ATOM 259 CA GLN A 16 12.073 7.059 10.293 1.00 0.00 C ATOM 260 C GLN A 16 13.405 6.770 9.598 1.00 0.00 C ATOM 261 O GLN A 16 14.446 7.226 10.027 1.00 0.00 O ATOM 262 CB GLN A 16 11.612 5.820 11.069 1.00 0.00 C ATOM 263 CG GLN A 16 12.523 5.587 12.279 1.00 0.00 C ATOM 264 CD GLN A 16 13.856 4.995 11.815 1.00 0.00 C ATOM 265 OE1 GLN A 16 14.905 5.551 12.074 1.00 0.00 O ATOM 266 NE2 GLN A 16 13.858 3.881 11.135 1.00 0.00 N ATOM 0 H GLN A 16 10.190 6.855 9.310 1.00 0.00 H new ATOM 0 HA GLN A 16 12.209 7.891 10.984 1.00 0.00 H new ATOM 0 HB2 GLN A 16 10.582 5.951 11.400 1.00 0.00 H new ATOM 0 HB3 GLN A 16 11.629 4.946 10.418 1.00 0.00 H new ATOM 0 HG2 GLN A 16 12.695 6.527 12.804 1.00 0.00 H new ATOM 0 HG3 GLN A 16 12.040 4.911 12.985 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.977 3.415 10.918 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.740 3.477 10.821 1.00 0.00 H new ATOM 275 N TYR A 17 13.388 6.019 8.531 1.00 0.00 N ATOM 276 CA TYR A 17 14.660 5.708 7.821 1.00 0.00 C ATOM 277 C TYR A 17 15.173 6.972 7.129 1.00 0.00 C ATOM 278 O TYR A 17 16.350 7.272 7.153 1.00 0.00 O ATOM 279 CB TYR A 17 14.404 4.618 6.771 1.00 0.00 C ATOM 280 CG TYR A 17 14.342 3.261 7.442 1.00 0.00 C ATOM 281 CD1 TYR A 17 13.328 2.986 8.369 1.00 0.00 C ATOM 282 CD2 TYR A 17 15.294 2.278 7.135 1.00 0.00 C ATOM 283 CE1 TYR A 17 13.267 1.732 8.988 1.00 0.00 C ATOM 284 CE2 TYR A 17 15.232 1.025 7.756 1.00 0.00 C ATOM 285 CZ TYR A 17 14.218 0.751 8.682 1.00 0.00 C ATOM 286 OH TYR A 17 14.158 -0.485 9.293 1.00 0.00 O ATOM 0 H TYR A 17 12.549 5.608 8.121 1.00 0.00 H new ATOM 0 HA TYR A 17 15.403 5.356 8.536 1.00 0.00 H new ATOM 0 HB2 TYR A 17 13.469 4.818 6.247 1.00 0.00 H new ATOM 0 HB3 TYR A 17 15.197 4.628 6.023 1.00 0.00 H new ATOM 0 HD1 TYR A 17 12.594 3.742 8.606 1.00 0.00 H new ATOM 0 HD2 TYR A 17 16.075 2.488 6.419 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.485 1.521 9.703 1.00 0.00 H new ATOM 0 HE2 TYR A 17 15.967 0.269 7.521 1.00 0.00 H new ATOM 0 HH TYR A 17 14.892 -1.047 8.967 1.00 0.00 H new ATOM 296 N SER A 18 14.297 7.711 6.501 1.00 0.00 N ATOM 297 CA SER A 18 14.725 8.953 5.790 1.00 0.00 C ATOM 298 C SER A 18 14.498 10.181 6.677 1.00 0.00 C ATOM 299 O SER A 18 13.765 11.080 6.314 1.00 0.00 O ATOM 300 CB SER A 18 13.906 9.106 4.508 1.00 0.00 C ATOM 301 OG SER A 18 12.530 9.235 4.843 1.00 0.00 O ATOM 0 H SER A 18 13.299 7.507 6.449 1.00 0.00 H new ATOM 0 HA SER A 18 15.786 8.876 5.553 1.00 0.00 H new ATOM 0 HB2 SER A 18 14.240 9.981 3.951 1.00 0.00 H new ATOM 0 HB3 SER A 18 14.055 8.241 3.862 1.00 0.00 H new ATOM 0 HG SER A 18 12.377 10.105 5.268 1.00 0.00 H new ATOM 307 N GLY A 19 15.137 10.247 7.825 1.00 0.00 N ATOM 308 CA GLY A 19 14.984 11.437 8.727 1.00 0.00 C ATOM 309 C GLY A 19 16.355 12.107 8.852 1.00 0.00 C ATOM 310 O GLY A 19 16.484 13.199 9.370 1.00 0.00 O ATOM 0 H GLY A 19 15.762 9.522 8.177 1.00 0.00 H new ATOM 0 HA2 GLY A 19 14.253 12.135 8.318 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.618 11.130 9.707 1.00 0.00 H new ATOM 314 N ARG A 20 17.373 11.466 8.349 1.00 0.00 N ATOM 315 CA ARG A 20 18.743 12.054 8.391 1.00 0.00 C ATOM 316 C ARG A 20 18.787 13.298 7.504 1.00 0.00 C ATOM 317 O ARG A 20 19.498 14.236 7.801 1.00 0.00 O ATOM 318 CB ARG A 20 19.758 11.027 7.883 1.00 0.00 C ATOM 319 CG ARG A 20 19.395 10.613 6.455 1.00 0.00 C ATOM 320 CD ARG A 20 20.264 9.427 6.028 1.00 0.00 C ATOM 321 NE ARG A 20 21.672 9.880 5.853 1.00 0.00 N ATOM 322 CZ ARG A 20 22.532 9.116 5.236 1.00 0.00 C ATOM 323 NH1 ARG A 20 22.144 8.375 4.234 1.00 0.00 N ATOM 324 NH2 ARG A 20 23.778 9.092 5.621 1.00 0.00 N ATOM 0 H ARG A 20 17.314 10.549 7.905 1.00 0.00 H new ATOM 0 HA ARG A 20 18.990 12.328 9.417 1.00 0.00 H new ATOM 0 HB2 ARG A 20 20.762 11.450 7.906 1.00 0.00 H new ATOM 0 HB3 ARG A 20 19.765 10.154 8.535 1.00 0.00 H new ATOM 0 HG2 ARG A 20 18.341 10.342 6.401 1.00 0.00 H new ATOM 0 HG3 ARG A 20 19.545 11.450 5.774 1.00 0.00 H new ATOM 0 HD2 ARG A 20 20.215 8.638 6.779 1.00 0.00 H new ATOM 0 HD3 ARG A 20 19.888 9.004 5.096 1.00 0.00 H new ATOM 0 HE ARG A 20 21.964 10.788 6.215 1.00 0.00 H new ATOM 0 HH11 ARG A 20 21.169 8.393 3.934 1.00 0.00 H new ATOM 0 HH12 ARG A 20 22.815 7.778 3.751 1.00 0.00 H new ATOM 0 HH21 ARG A 20 24.081 9.670 6.405 1.00 0.00 H new ATOM 0 HH22 ARG A 20 24.449 8.495 5.138 1.00 0.00 H new ATOM 338 N GLU A 21 18.033 13.346 6.437 1.00 0.00 N ATOM 339 CA GLU A 21 18.056 14.577 5.585 1.00 0.00 C ATOM 340 C GLU A 21 16.691 14.791 4.931 1.00 0.00 C ATOM 341 O GLU A 21 16.174 15.891 4.909 1.00 0.00 O ATOM 342 CB GLU A 21 19.124 14.430 4.498 1.00 0.00 C ATOM 343 CG GLU A 21 20.516 14.529 5.124 1.00 0.00 C ATOM 344 CD GLU A 21 21.571 14.565 4.017 1.00 0.00 C ATOM 345 OE1 GLU A 21 21.185 14.589 2.859 1.00 0.00 O ATOM 346 OE2 GLU A 21 22.746 14.567 4.344 1.00 0.00 O ATOM 0 H GLU A 21 17.412 12.602 6.120 1.00 0.00 H new ATOM 0 HA GLU A 21 18.289 15.437 6.213 1.00 0.00 H new ATOM 0 HB2 GLU A 21 19.010 13.472 3.991 1.00 0.00 H new ATOM 0 HB3 GLU A 21 18.998 15.207 3.744 1.00 0.00 H new ATOM 0 HG2 GLU A 21 20.587 15.427 5.738 1.00 0.00 H new ATOM 0 HG3 GLU A 21 20.692 13.678 5.782 1.00 0.00 H new ATOM 353 N GLY A 22 16.100 13.760 4.393 1.00 0.00 N ATOM 354 CA GLY A 22 14.769 13.928 3.740 1.00 0.00 C ATOM 355 C GLY A 22 14.827 15.117 2.778 1.00 0.00 C ATOM 356 O GLY A 22 13.813 15.585 2.298 1.00 0.00 O ATOM 0 H GLY A 22 16.478 12.813 4.377 1.00 0.00 H new ATOM 0 HA2 GLY A 22 14.498 13.021 3.200 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.999 14.092 4.494 1.00 0.00 H new ATOM 360 N ASP A 23 16.003 15.610 2.491 1.00 0.00 N ATOM 361 CA ASP A 23 16.117 16.768 1.558 1.00 0.00 C ATOM 362 C ASP A 23 15.270 16.481 0.317 1.00 0.00 C ATOM 363 O ASP A 23 14.339 17.199 0.009 1.00 0.00 O ATOM 364 CB ASP A 23 17.581 16.950 1.149 1.00 0.00 C ATOM 365 CG ASP A 23 17.706 18.149 0.207 1.00 0.00 C ATOM 366 OD1 ASP A 23 16.934 19.081 0.360 1.00 0.00 O ATOM 367 OD2 ASP A 23 18.573 18.114 -0.651 1.00 0.00 O ATOM 0 H ASP A 23 16.887 15.262 2.862 1.00 0.00 H new ATOM 0 HA ASP A 23 15.766 17.678 2.045 1.00 0.00 H new ATOM 0 HB2 ASP A 23 18.200 17.103 2.033 1.00 0.00 H new ATOM 0 HB3 ASP A 23 17.946 16.049 0.657 1.00 0.00 H new ATOM 372 N LYS A 24 15.567 15.419 -0.380 1.00 0.00 N ATOM 373 CA LYS A 24 14.761 15.062 -1.582 1.00 0.00 C ATOM 374 C LYS A 24 13.616 14.148 -1.142 1.00 0.00 C ATOM 375 O LYS A 24 13.514 13.773 0.009 1.00 0.00 O ATOM 376 CB LYS A 24 15.645 14.328 -2.594 1.00 0.00 C ATOM 377 CG LYS A 24 16.206 13.055 -1.958 1.00 0.00 C ATOM 378 CD LYS A 24 17.345 12.510 -2.823 1.00 0.00 C ATOM 379 CE LYS A 24 18.009 11.331 -2.110 1.00 0.00 C ATOM 380 NZ LYS A 24 18.845 11.840 -0.987 1.00 0.00 N ATOM 0 H LYS A 24 16.335 14.782 -0.169 1.00 0.00 H new ATOM 0 HA LYS A 24 14.363 15.963 -2.048 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.066 14.078 -3.483 1.00 0.00 H new ATOM 0 HB3 LYS A 24 16.461 14.975 -2.916 1.00 0.00 H new ATOM 0 HG2 LYS A 24 16.569 13.268 -0.952 1.00 0.00 H new ATOM 0 HG3 LYS A 24 15.419 12.307 -1.861 1.00 0.00 H new ATOM 0 HD2 LYS A 24 16.960 12.192 -3.792 1.00 0.00 H new ATOM 0 HD3 LYS A 24 18.078 13.294 -3.013 1.00 0.00 H new ATOM 0 HE2 LYS A 24 17.250 10.646 -1.732 1.00 0.00 H new ATOM 0 HE3 LYS A 24 18.625 10.768 -2.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 19.500 11.094 -0.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 19.389 12.667 -1.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 18.231 12.115 -0.194 1.00 0.00 H new ATOM 394 N HIS A 25 12.770 13.769 -2.064 1.00 0.00 N ATOM 395 CA HIS A 25 11.631 12.851 -1.746 1.00 0.00 C ATOM 396 C HIS A 25 11.760 11.632 -2.657 1.00 0.00 C ATOM 397 O HIS A 25 10.808 11.208 -3.283 1.00 0.00 O ATOM 398 CB HIS A 25 10.307 13.569 -2.029 1.00 0.00 C ATOM 399 CG HIS A 25 10.196 13.864 -3.502 1.00 0.00 C ATOM 400 ND1 HIS A 25 9.308 13.191 -4.327 1.00 0.00 N ATOM 401 CD2 HIS A 25 10.861 14.752 -4.312 1.00 0.00 C ATOM 402 CE1 HIS A 25 9.462 13.679 -5.572 1.00 0.00 C ATOM 403 NE2 HIS A 25 10.396 14.633 -5.619 1.00 0.00 N ATOM 0 H HIS A 25 12.820 14.061 -3.040 1.00 0.00 H new ATOM 0 HA HIS A 25 11.651 12.552 -0.698 1.00 0.00 H new ATOM 0 HB2 HIS A 25 9.470 12.949 -1.708 1.00 0.00 H new ATOM 0 HB3 HIS A 25 10.255 14.496 -1.457 1.00 0.00 H new ATOM 0 HD1 HIS A 25 8.657 12.459 -4.042 1.00 0.00 H new ATOM 0 HD2 HIS A 25 11.628 15.438 -3.985 1.00 0.00 H new ATOM 0 HE1 HIS A 25 8.899 13.340 -6.429 1.00 0.00 H new ATOM 411 N LYS A 26 12.943 11.077 -2.742 1.00 0.00 N ATOM 412 CA LYS A 26 13.168 9.891 -3.619 1.00 0.00 C ATOM 413 C LYS A 26 13.984 8.833 -2.870 1.00 0.00 C ATOM 414 O LYS A 26 14.825 9.153 -2.053 1.00 0.00 O ATOM 415 CB LYS A 26 13.936 10.340 -4.863 1.00 0.00 C ATOM 416 CG LYS A 26 13.309 11.629 -5.401 1.00 0.00 C ATOM 417 CD LYS A 26 13.885 11.943 -6.782 1.00 0.00 C ATOM 418 CE LYS A 26 13.211 13.197 -7.343 1.00 0.00 C ATOM 419 NZ LYS A 26 13.414 14.335 -6.402 1.00 0.00 N ATOM 0 H LYS A 26 13.768 11.399 -2.236 1.00 0.00 H new ATOM 0 HA LYS A 26 12.209 9.459 -3.905 1.00 0.00 H new ATOM 0 HB2 LYS A 26 14.985 10.506 -4.618 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.906 9.561 -5.625 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.226 11.520 -5.464 1.00 0.00 H new ATOM 0 HG3 LYS A 26 13.507 12.454 -4.717 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.962 12.096 -6.712 1.00 0.00 H new ATOM 0 HD3 LYS A 26 13.726 11.100 -7.454 1.00 0.00 H new ATOM 0 HE2 LYS A 26 13.628 13.441 -8.320 1.00 0.00 H new ATOM 0 HE3 LYS A 26 12.146 13.016 -7.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 12.490 14.721 -6.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 13.923 14.001 -5.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 13.971 15.078 -6.871 1.00 0.00 H new ATOM 433 N LEU A 27 13.747 7.577 -3.151 1.00 0.00 N ATOM 434 CA LEU A 27 14.506 6.476 -2.471 1.00 0.00 C ATOM 435 C LEU A 27 15.200 5.635 -3.541 1.00 0.00 C ATOM 436 O LEU A 27 14.660 5.411 -4.606 1.00 0.00 O ATOM 437 CB LEU A 27 13.525 5.601 -1.684 1.00 0.00 C ATOM 438 CG LEU A 27 14.296 4.604 -0.801 1.00 0.00 C ATOM 439 CD1 LEU A 27 14.895 5.314 0.428 1.00 0.00 C ATOM 440 CD2 LEU A 27 13.335 3.506 -0.336 1.00 0.00 C ATOM 0 H LEU A 27 13.054 7.261 -3.829 1.00 0.00 H new ATOM 0 HA LEU A 27 15.246 6.891 -1.787 1.00 0.00 H new ATOM 0 HB2 LEU A 27 12.884 6.227 -1.064 1.00 0.00 H new ATOM 0 HB3 LEU A 27 12.874 5.061 -2.372 1.00 0.00 H new ATOM 0 HG LEU A 27 15.111 4.172 -1.382 1.00 0.00 H new ATOM 0 HD11 LEU A 27 15.436 4.591 1.038 1.00 0.00 H new ATOM 0 HD12 LEU A 27 15.580 6.095 0.099 1.00 0.00 H new ATOM 0 HD13 LEU A 27 14.094 5.759 1.018 1.00 0.00 H new ATOM 0 HD21 LEU A 27 13.872 2.794 0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.522 3.953 0.237 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.926 2.989 -1.204 1.00 0.00 H new ATOM 452 N LYS A 28 16.399 5.170 -3.283 1.00 0.00 N ATOM 453 CA LYS A 28 17.114 4.350 -4.310 1.00 0.00 C ATOM 454 C LYS A 28 16.792 2.867 -4.099 1.00 0.00 C ATOM 455 O LYS A 28 16.463 2.445 -3.008 1.00 0.00 O ATOM 456 CB LYS A 28 18.623 4.569 -4.182 1.00 0.00 C ATOM 457 CG LYS A 28 18.924 6.069 -4.155 1.00 0.00 C ATOM 458 CD LYS A 28 20.437 6.287 -4.223 1.00 0.00 C ATOM 459 CE LYS A 28 20.744 7.780 -4.100 1.00 0.00 C ATOM 460 NZ LYS A 28 20.313 8.264 -2.759 1.00 0.00 N ATOM 0 H LYS A 28 16.909 5.321 -2.413 1.00 0.00 H new ATOM 0 HA LYS A 28 16.787 4.653 -5.305 1.00 0.00 H new ATOM 0 HB2 LYS A 28 18.993 4.097 -3.272 1.00 0.00 H new ATOM 0 HB3 LYS A 28 19.141 4.099 -5.018 1.00 0.00 H new ATOM 0 HG2 LYS A 28 18.436 6.564 -4.995 1.00 0.00 H new ATOM 0 HG3 LYS A 28 18.522 6.515 -3.245 1.00 0.00 H new ATOM 0 HD2 LYS A 28 20.931 5.736 -3.422 1.00 0.00 H new ATOM 0 HD3 LYS A 28 20.829 5.901 -5.164 1.00 0.00 H new ATOM 0 HE2 LYS A 28 21.811 7.956 -4.237 1.00 0.00 H new ATOM 0 HE3 LYS A 28 20.227 8.335 -4.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 20.830 9.134 -2.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 19.292 8.461 -2.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 20.515 7.535 -2.045 1.00 0.00 H new ATOM 474 N LYS A 29 16.885 2.071 -5.129 1.00 0.00 N ATOM 475 CA LYS A 29 16.587 0.616 -4.983 1.00 0.00 C ATOM 476 C LYS A 29 17.531 -0.011 -3.947 1.00 0.00 C ATOM 477 O LYS A 29 17.141 -0.852 -3.163 1.00 0.00 O ATOM 478 CB LYS A 29 16.794 -0.077 -6.342 1.00 0.00 C ATOM 479 CG LYS A 29 18.041 0.504 -7.053 1.00 0.00 C ATOM 480 CD LYS A 29 18.717 -0.570 -7.917 1.00 0.00 C ATOM 481 CE LYS A 29 20.027 -0.017 -8.480 1.00 0.00 C ATOM 482 NZ LYS A 29 19.732 1.082 -9.441 1.00 0.00 N ATOM 0 H LYS A 29 17.155 2.365 -6.068 1.00 0.00 H new ATOM 0 HA LYS A 29 15.557 0.490 -4.651 1.00 0.00 H new ATOM 0 HB2 LYS A 29 16.916 -1.150 -6.196 1.00 0.00 H new ATOM 0 HB3 LYS A 29 15.912 0.061 -6.967 1.00 0.00 H new ATOM 0 HG2 LYS A 29 17.751 1.350 -7.676 1.00 0.00 H new ATOM 0 HG3 LYS A 29 18.747 0.881 -6.312 1.00 0.00 H new ATOM 0 HD2 LYS A 29 18.912 -1.462 -7.322 1.00 0.00 H new ATOM 0 HD3 LYS A 29 18.055 -0.868 -8.730 1.00 0.00 H new ATOM 0 HE2 LYS A 29 20.655 0.353 -7.670 1.00 0.00 H new ATOM 0 HE3 LYS A 29 20.584 -0.810 -8.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 20.621 1.435 -9.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 19.121 0.723 -10.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 19.248 1.857 -8.944 1.00 0.00 H new ATOM 496 N SER A 30 18.774 0.377 -3.960 1.00 0.00 N ATOM 497 CA SER A 30 19.758 -0.205 -3.004 1.00 0.00 C ATOM 498 C SER A 30 19.303 -0.006 -1.554 1.00 0.00 C ATOM 499 O SER A 30 19.447 -0.887 -0.722 1.00 0.00 O ATOM 500 CB SER A 30 21.110 0.479 -3.203 1.00 0.00 C ATOM 501 OG SER A 30 21.077 1.765 -2.598 1.00 0.00 O ATOM 0 H SER A 30 19.155 1.078 -4.596 1.00 0.00 H new ATOM 0 HA SER A 30 19.838 -1.275 -3.197 1.00 0.00 H new ATOM 0 HB2 SER A 30 21.904 -0.123 -2.762 1.00 0.00 H new ATOM 0 HB3 SER A 30 21.332 0.570 -4.266 1.00 0.00 H new ATOM 0 HG SER A 30 21.943 2.207 -2.722 1.00 0.00 H new ATOM 507 N GLU A 31 18.748 1.137 -1.231 1.00 0.00 N ATOM 508 CA GLU A 31 18.303 1.349 0.181 1.00 0.00 C ATOM 509 C GLU A 31 16.933 0.703 0.369 1.00 0.00 C ATOM 510 O GLU A 31 16.622 0.172 1.417 1.00 0.00 O ATOM 511 CB GLU A 31 18.242 2.843 0.511 1.00 0.00 C ATOM 512 CG GLU A 31 19.620 3.472 0.299 1.00 0.00 C ATOM 513 CD GLU A 31 20.617 2.867 1.289 1.00 0.00 C ATOM 514 OE1 GLU A 31 20.185 2.442 2.349 1.00 0.00 O ATOM 515 OE2 GLU A 31 21.795 2.839 0.972 1.00 0.00 O ATOM 0 H GLU A 31 18.586 1.917 -1.869 1.00 0.00 H new ATOM 0 HA GLU A 31 19.021 0.888 0.860 1.00 0.00 H new ATOM 0 HB2 GLU A 31 17.505 3.336 -0.123 1.00 0.00 H new ATOM 0 HB3 GLU A 31 17.921 2.985 1.543 1.00 0.00 H new ATOM 0 HG2 GLU A 31 19.957 3.299 -0.723 1.00 0.00 H new ATOM 0 HG3 GLU A 31 19.564 4.552 0.438 1.00 0.00 H new ATOM 522 N LEU A 32 16.119 0.720 -0.652 1.00 0.00 N ATOM 523 CA LEU A 32 14.782 0.078 -0.541 1.00 0.00 C ATOM 524 C LEU A 32 14.995 -1.403 -0.225 1.00 0.00 C ATOM 525 O LEU A 32 14.357 -1.951 0.649 1.00 0.00 O ATOM 526 CB LEU A 32 14.013 0.249 -1.861 1.00 0.00 C ATOM 527 CG LEU A 32 12.502 0.105 -1.627 1.00 0.00 C ATOM 528 CD1 LEU A 32 11.762 0.443 -2.927 1.00 0.00 C ATOM 529 CD2 LEU A 32 12.161 -1.334 -1.193 1.00 0.00 C ATOM 0 H LEU A 32 16.323 1.150 -1.554 1.00 0.00 H new ATOM 0 HA LEU A 32 14.195 0.542 0.252 1.00 0.00 H new ATOM 0 HB2 LEU A 32 14.229 1.228 -2.290 1.00 0.00 H new ATOM 0 HB3 LEU A 32 14.348 -0.496 -2.583 1.00 0.00 H new ATOM 0 HG LEU A 32 12.193 0.788 -0.835 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.688 0.343 -2.771 1.00 0.00 H new ATOM 0 HD12 LEU A 32 11.993 1.467 -3.221 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.079 -0.241 -3.714 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.087 -1.420 -1.031 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.468 -2.031 -1.973 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.687 -1.569 -0.268 1.00 0.00 H new ATOM 541 N LYS A 33 15.878 -2.072 -0.916 1.00 0.00 N ATOM 542 CA LYS A 33 16.079 -3.514 -0.617 1.00 0.00 C ATOM 543 C LYS A 33 16.346 -3.676 0.877 1.00 0.00 C ATOM 544 O LYS A 33 15.657 -4.402 1.566 1.00 0.00 O ATOM 545 CB LYS A 33 17.269 -4.052 -1.412 1.00 0.00 C ATOM 546 CG LYS A 33 17.384 -5.561 -1.191 1.00 0.00 C ATOM 547 CD LYS A 33 18.372 -6.154 -2.196 1.00 0.00 C ATOM 548 CE LYS A 33 18.525 -7.653 -1.933 1.00 0.00 C ATOM 549 NZ LYS A 33 19.705 -8.171 -2.681 1.00 0.00 N ATOM 0 H LYS A 33 16.459 -1.689 -1.662 1.00 0.00 H new ATOM 0 HA LYS A 33 15.186 -4.073 -0.898 1.00 0.00 H new ATOM 0 HB2 LYS A 33 17.139 -3.837 -2.473 1.00 0.00 H new ATOM 0 HB3 LYS A 33 18.186 -3.556 -1.096 1.00 0.00 H new ATOM 0 HG2 LYS A 33 17.718 -5.765 -0.174 1.00 0.00 H new ATOM 0 HG3 LYS A 33 16.407 -6.031 -1.306 1.00 0.00 H new ATOM 0 HD2 LYS A 33 18.018 -5.986 -3.213 1.00 0.00 H new ATOM 0 HD3 LYS A 33 19.339 -5.658 -2.109 1.00 0.00 H new ATOM 0 HE2 LYS A 33 18.649 -7.835 -0.865 1.00 0.00 H new ATOM 0 HE3 LYS A 33 17.624 -8.181 -2.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 19.809 -9.190 -2.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 19.568 -8.010 -3.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 20.562 -7.675 -2.364 1.00 0.00 H new ATOM 563 N GLU A 34 17.347 -3.010 1.383 1.00 0.00 N ATOM 564 CA GLU A 34 17.654 -3.142 2.839 1.00 0.00 C ATOM 565 C GLU A 34 16.361 -2.960 3.647 1.00 0.00 C ATOM 566 O GLU A 34 16.156 -3.606 4.655 1.00 0.00 O ATOM 567 CB GLU A 34 18.674 -2.078 3.252 1.00 0.00 C ATOM 568 CG GLU A 34 20.018 -2.369 2.582 1.00 0.00 C ATOM 569 CD GLU A 34 21.102 -1.492 3.211 1.00 0.00 C ATOM 570 OE1 GLU A 34 20.985 -0.281 3.116 1.00 0.00 O ATOM 571 OE2 GLU A 34 22.030 -2.045 3.777 1.00 0.00 O ATOM 0 H GLU A 34 17.961 -2.386 0.860 1.00 0.00 H new ATOM 0 HA GLU A 34 18.071 -4.130 3.035 1.00 0.00 H new ATOM 0 HB2 GLU A 34 18.319 -1.088 2.964 1.00 0.00 H new ATOM 0 HB3 GLU A 34 18.790 -2.072 4.336 1.00 0.00 H new ATOM 0 HG2 GLU A 34 20.274 -3.422 2.699 1.00 0.00 H new ATOM 0 HG3 GLU A 34 19.953 -2.174 1.512 1.00 0.00 H new ATOM 578 N LEU A 35 15.483 -2.095 3.213 1.00 0.00 N ATOM 579 CA LEU A 35 14.204 -1.888 3.959 1.00 0.00 C ATOM 580 C LEU A 35 13.355 -3.165 3.886 1.00 0.00 C ATOM 581 O LEU A 35 12.749 -3.564 4.861 1.00 0.00 O ATOM 582 CB LEU A 35 13.437 -0.709 3.347 1.00 0.00 C ATOM 583 CG LEU A 35 12.227 -0.346 4.226 1.00 0.00 C ATOM 584 CD1 LEU A 35 12.676 0.426 5.478 1.00 0.00 C ATOM 585 CD2 LEU A 35 11.258 0.523 3.415 1.00 0.00 C ATOM 0 H LEU A 35 15.594 -1.523 2.376 1.00 0.00 H new ATOM 0 HA LEU A 35 14.422 -1.665 5.003 1.00 0.00 H new ATOM 0 HB2 LEU A 35 14.097 0.153 3.251 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.101 -0.967 2.342 1.00 0.00 H new ATOM 0 HG LEU A 35 11.734 -1.266 4.542 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.805 0.673 6.085 1.00 0.00 H new ATOM 0 HD12 LEU A 35 13.361 -0.191 6.060 1.00 0.00 H new ATOM 0 HD13 LEU A 35 13.181 1.344 5.178 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.399 0.783 4.033 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.765 1.434 3.097 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.920 -0.030 2.538 1.00 0.00 H new ATOM 597 N ILE A 36 13.319 -3.823 2.762 1.00 0.00 N ATOM 598 CA ILE A 36 12.526 -5.083 2.654 1.00 0.00 C ATOM 599 C ILE A 36 13.101 -6.135 3.611 1.00 0.00 C ATOM 600 O ILE A 36 12.380 -6.899 4.223 1.00 0.00 O ATOM 601 CB ILE A 36 12.631 -5.599 1.209 1.00 0.00 C ATOM 602 CG1 ILE A 36 11.793 -4.695 0.296 1.00 0.00 C ATOM 603 CG2 ILE A 36 12.098 -7.036 1.124 1.00 0.00 C ATOM 604 CD1 ILE A 36 12.076 -5.020 -1.175 1.00 0.00 C ATOM 0 H ILE A 36 13.805 -3.544 1.910 1.00 0.00 H new ATOM 0 HA ILE A 36 11.485 -4.894 2.914 1.00 0.00 H new ATOM 0 HB ILE A 36 13.675 -5.587 0.895 1.00 0.00 H new ATOM 0 HG12 ILE A 36 10.733 -4.833 0.509 1.00 0.00 H new ATOM 0 HG13 ILE A 36 12.025 -3.649 0.496 1.00 0.00 H new ATOM 0 HG21 ILE A 36 12.176 -7.393 0.097 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.685 -7.681 1.778 1.00 0.00 H new ATOM 0 HG23 ILE A 36 11.054 -7.056 1.436 1.00 0.00 H new ATOM 0 HD11 ILE A 36 11.475 -4.372 -1.813 1.00 0.00 H new ATOM 0 HD12 ILE A 36 13.133 -4.859 -1.386 1.00 0.00 H new ATOM 0 HD13 ILE A 36 11.821 -6.061 -1.373 1.00 0.00 H new ATOM 616 N ASN A 37 14.399 -6.205 3.703 1.00 0.00 N ATOM 617 CA ASN A 37 15.050 -7.233 4.568 1.00 0.00 C ATOM 618 C ASN A 37 14.654 -7.087 6.044 1.00 0.00 C ATOM 619 O ASN A 37 14.730 -8.040 6.794 1.00 0.00 O ATOM 620 CB ASN A 37 16.568 -7.085 4.449 1.00 0.00 C ATOM 621 CG ASN A 37 17.254 -8.210 5.226 1.00 0.00 C ATOM 622 OD1 ASN A 37 18.159 -7.965 6.000 1.00 0.00 O ATOM 623 ND2 ASN A 37 16.861 -9.441 5.051 1.00 0.00 N ATOM 0 H ASN A 37 15.045 -5.588 3.211 1.00 0.00 H new ATOM 0 HA ASN A 37 14.718 -8.214 4.229 1.00 0.00 H new ATOM 0 HB2 ASN A 37 16.866 -7.118 3.401 1.00 0.00 H new ATOM 0 HB3 ASN A 37 16.881 -6.116 4.839 1.00 0.00 H new ATOM 0 HD21 ASN A 37 17.313 -10.198 5.563 1.00 0.00 H new ATOM 0 HD22 ASN A 37 16.102 -9.647 4.402 1.00 0.00 H new ATOM 630 N ASN A 38 14.271 -5.909 6.483 1.00 0.00 N ATOM 631 CA ASN A 38 13.918 -5.718 7.935 1.00 0.00 C ATOM 632 C ASN A 38 12.429 -5.401 8.121 1.00 0.00 C ATOM 633 O ASN A 38 11.909 -5.515 9.214 1.00 0.00 O ATOM 634 CB ASN A 38 14.744 -4.558 8.493 1.00 0.00 C ATOM 635 CG ASN A 38 16.232 -4.851 8.297 1.00 0.00 C ATOM 636 OD1 ASN A 38 16.683 -5.953 8.537 1.00 0.00 O ATOM 637 ND2 ASN A 38 17.021 -3.904 7.868 1.00 0.00 N ATOM 0 H ASN A 38 14.187 -5.073 5.904 1.00 0.00 H new ATOM 0 HA ASN A 38 14.135 -6.646 8.464 1.00 0.00 H new ATOM 0 HB2 ASN A 38 14.475 -3.630 7.988 1.00 0.00 H new ATOM 0 HB3 ASN A 38 14.526 -4.419 9.552 1.00 0.00 H new ATOM 0 HD21 ASN A 38 18.015 -4.090 7.735 1.00 0.00 H new ATOM 0 HD22 ASN A 38 16.644 -2.978 7.666 1.00 0.00 H new ATOM 644 N GLU A 39 11.736 -4.985 7.092 1.00 0.00 N ATOM 645 CA GLU A 39 10.283 -4.642 7.257 1.00 0.00 C ATOM 646 C GLU A 39 9.391 -5.811 6.821 1.00 0.00 C ATOM 647 O GLU A 39 8.255 -5.909 7.243 1.00 0.00 O ATOM 648 CB GLU A 39 9.951 -3.413 6.403 1.00 0.00 C ATOM 649 CG GLU A 39 10.631 -2.169 6.991 1.00 0.00 C ATOM 650 CD GLU A 39 9.983 -0.907 6.415 1.00 0.00 C ATOM 651 OE1 GLU A 39 9.496 -0.972 5.299 1.00 0.00 O ATOM 652 OE2 GLU A 39 9.984 0.102 7.102 1.00 0.00 O ATOM 0 H GLU A 39 12.106 -4.867 6.149 1.00 0.00 H new ATOM 0 HA GLU A 39 10.096 -4.433 8.310 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.286 -3.571 5.378 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.872 -3.265 6.367 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.541 -2.172 8.077 1.00 0.00 H new ATOM 0 HG3 GLU A 39 11.696 -2.181 6.759 1.00 0.00 H new ATOM 659 N LEU A 40 9.886 -6.699 5.992 1.00 0.00 N ATOM 660 CA LEU A 40 9.057 -7.868 5.538 1.00 0.00 C ATOM 661 C LEU A 40 9.741 -9.174 5.953 1.00 0.00 C ATOM 662 O LEU A 40 9.603 -10.194 5.309 1.00 0.00 O ATOM 663 CB LEU A 40 8.913 -7.826 4.011 1.00 0.00 C ATOM 664 CG LEU A 40 7.893 -6.740 3.605 1.00 0.00 C ATOM 665 CD1 LEU A 40 8.177 -6.273 2.175 1.00 0.00 C ATOM 666 CD2 LEU A 40 6.462 -7.299 3.670 1.00 0.00 C ATOM 0 H LEU A 40 10.830 -6.667 5.608 1.00 0.00 H new ATOM 0 HA LEU A 40 8.071 -7.816 5.999 1.00 0.00 H new ATOM 0 HB2 LEU A 40 9.880 -7.618 3.552 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.587 -8.798 3.642 1.00 0.00 H new ATOM 0 HG LEU A 40 7.986 -5.903 4.296 1.00 0.00 H new ATOM 0 HD11 LEU A 40 7.455 -5.507 1.892 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.184 -5.860 2.120 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.094 -7.119 1.493 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.754 -6.522 3.381 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.370 -8.145 2.988 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.245 -7.627 4.687 1.00 0.00 H new ATOM 678 N SER A 41 10.480 -9.141 7.028 1.00 0.00 N ATOM 679 CA SER A 41 11.182 -10.368 7.499 1.00 0.00 C ATOM 680 C SER A 41 10.177 -11.354 8.104 1.00 0.00 C ATOM 681 O SER A 41 10.404 -12.548 8.117 1.00 0.00 O ATOM 682 CB SER A 41 12.217 -9.979 8.558 1.00 0.00 C ATOM 683 OG SER A 41 12.874 -8.785 8.154 1.00 0.00 O ATOM 0 H SER A 41 10.628 -8.312 7.603 1.00 0.00 H new ATOM 0 HA SER A 41 11.677 -10.845 6.653 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.730 -9.832 9.522 1.00 0.00 H new ATOM 0 HB3 SER A 41 12.943 -10.782 8.686 1.00 0.00 H new ATOM 0 HG SER A 41 13.711 -9.011 7.697 1.00 0.00 H new ATOM 689 N HIS A 42 9.075 -10.874 8.613 1.00 0.00 N ATOM 690 CA HIS A 42 8.076 -11.802 9.219 1.00 0.00 C ATOM 691 C HIS A 42 7.335 -12.568 8.121 1.00 0.00 C ATOM 692 O HIS A 42 7.249 -13.779 8.149 1.00 0.00 O ATOM 693 CB HIS A 42 7.066 -11.002 10.044 1.00 0.00 C ATOM 694 CG HIS A 42 6.032 -11.937 10.608 1.00 0.00 C ATOM 695 ND1 HIS A 42 6.245 -12.657 11.773 1.00 0.00 N ATOM 696 CD2 HIS A 42 4.776 -12.283 10.178 1.00 0.00 C ATOM 697 CE1 HIS A 42 5.143 -13.393 12.002 1.00 0.00 C ATOM 698 NE2 HIS A 42 4.215 -13.203 11.060 1.00 0.00 N ATOM 0 H HIS A 42 8.823 -9.886 8.636 1.00 0.00 H new ATOM 0 HA HIS A 42 8.598 -12.511 9.862 1.00 0.00 H new ATOM 0 HB2 HIS A 42 7.575 -10.475 10.851 1.00 0.00 H new ATOM 0 HB3 HIS A 42 6.588 -10.246 9.421 1.00 0.00 H new ATOM 0 HD2 HIS A 42 4.295 -11.900 9.290 1.00 0.00 H new ATOM 0 HE1 HIS A 42 5.023 -14.057 12.845 1.00 0.00 H new ATOM 0 HE2 HIS A 42 3.294 -13.638 11.000 1.00 0.00 H new ATOM 706 N PHE A 43 6.790 -11.874 7.160 1.00 0.00 N ATOM 707 CA PHE A 43 6.047 -12.572 6.073 1.00 0.00 C ATOM 708 C PHE A 43 7.010 -13.462 5.285 1.00 0.00 C ATOM 709 O PHE A 43 6.609 -14.415 4.648 1.00 0.00 O ATOM 710 CB PHE A 43 5.409 -11.539 5.143 1.00 0.00 C ATOM 711 CG PHE A 43 4.408 -10.718 5.925 1.00 0.00 C ATOM 712 CD1 PHE A 43 3.089 -11.167 6.066 1.00 0.00 C ATOM 713 CD2 PHE A 43 4.801 -9.509 6.512 1.00 0.00 C ATOM 714 CE1 PHE A 43 2.164 -10.408 6.793 1.00 0.00 C ATOM 715 CE2 PHE A 43 3.876 -8.750 7.238 1.00 0.00 C ATOM 716 CZ PHE A 43 2.558 -9.200 7.379 1.00 0.00 C ATOM 0 H PHE A 43 6.827 -10.858 7.080 1.00 0.00 H new ATOM 0 HA PHE A 43 5.263 -13.192 6.507 1.00 0.00 H new ATOM 0 HB2 PHE A 43 6.176 -10.891 4.718 1.00 0.00 H new ATOM 0 HB3 PHE A 43 4.916 -12.038 4.309 1.00 0.00 H new ATOM 0 HD1 PHE A 43 2.785 -12.099 5.614 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.818 -9.162 6.404 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.147 -10.755 6.901 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.179 -7.817 7.690 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.845 -8.615 7.940 1.00 0.00 H new ATOM 726 N LEU A 44 8.279 -13.156 5.322 1.00 0.00 N ATOM 727 CA LEU A 44 9.269 -13.982 4.572 1.00 0.00 C ATOM 728 C LEU A 44 9.024 -15.464 4.885 1.00 0.00 C ATOM 729 O LEU A 44 9.248 -16.331 4.064 1.00 0.00 O ATOM 730 CB LEU A 44 10.694 -13.566 4.995 1.00 0.00 C ATOM 731 CG LEU A 44 11.688 -13.725 3.825 1.00 0.00 C ATOM 732 CD1 LEU A 44 11.622 -15.155 3.275 1.00 0.00 C ATOM 733 CD2 LEU A 44 11.372 -12.714 2.699 1.00 0.00 C ATOM 0 H LEU A 44 8.673 -12.370 5.839 1.00 0.00 H new ATOM 0 HA LEU A 44 9.160 -13.826 3.499 1.00 0.00 H new ATOM 0 HB2 LEU A 44 10.689 -12.530 5.334 1.00 0.00 H new ATOM 0 HB3 LEU A 44 11.019 -14.175 5.838 1.00 0.00 H new ATOM 0 HG LEU A 44 12.694 -13.527 4.196 1.00 0.00 H new ATOM 0 HD11 LEU A 44 12.326 -15.260 2.450 1.00 0.00 H new ATOM 0 HD12 LEU A 44 11.880 -15.861 4.064 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.613 -15.362 2.920 1.00 0.00 H new ATOM 0 HD21 LEU A 44 12.084 -12.843 1.884 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.361 -12.886 2.328 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.447 -11.699 3.090 1.00 0.00 H new ATOM 745 N GLU A 45 8.554 -15.759 6.065 1.00 0.00 N ATOM 746 CA GLU A 45 8.286 -17.179 6.423 1.00 0.00 C ATOM 747 C GLU A 45 7.042 -17.658 5.674 1.00 0.00 C ATOM 748 O GLU A 45 6.976 -18.778 5.207 1.00 0.00 O ATOM 749 CB GLU A 45 8.049 -17.290 7.930 1.00 0.00 C ATOM 750 CG GLU A 45 9.373 -17.103 8.672 1.00 0.00 C ATOM 751 CD GLU A 45 9.135 -17.220 10.179 1.00 0.00 C ATOM 752 OE1 GLU A 45 7.997 -17.070 10.592 1.00 0.00 O ATOM 753 OE2 GLU A 45 10.094 -17.459 10.894 1.00 0.00 O ATOM 0 H GLU A 45 8.344 -15.079 6.796 1.00 0.00 H new ATOM 0 HA GLU A 45 9.141 -17.795 6.146 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.330 -16.536 8.252 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.620 -18.263 8.170 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.093 -17.854 8.348 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.800 -16.129 8.435 1.00 0.00 H new ATOM 760 N GLU A 46 6.053 -16.814 5.559 1.00 0.00 N ATOM 761 CA GLU A 46 4.806 -17.210 4.843 1.00 0.00 C ATOM 762 C GLU A 46 4.976 -16.968 3.341 1.00 0.00 C ATOM 763 O GLU A 46 4.217 -16.241 2.733 1.00 0.00 O ATOM 764 CB GLU A 46 3.634 -16.372 5.362 1.00 0.00 C ATOM 765 CG GLU A 46 3.214 -16.877 6.744 1.00 0.00 C ATOM 766 CD GLU A 46 2.150 -15.945 7.326 1.00 0.00 C ATOM 767 OE1 GLU A 46 2.467 -14.791 7.565 1.00 0.00 O ATOM 768 OE2 GLU A 46 1.036 -16.401 7.523 1.00 0.00 O ATOM 0 H GLU A 46 6.055 -15.864 5.931 1.00 0.00 H new ATOM 0 HA GLU A 46 4.608 -18.267 5.020 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.922 -15.322 5.419 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.794 -16.435 4.670 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.822 -17.891 6.669 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.079 -16.918 7.406 1.00 0.00 H new ATOM 775 N ILE A 47 5.964 -17.584 2.740 1.00 0.00 N ATOM 776 CA ILE A 47 6.198 -17.417 1.269 1.00 0.00 C ATOM 777 C ILE A 47 6.134 -18.793 0.608 1.00 0.00 C ATOM 778 O ILE A 47 6.466 -19.795 1.211 1.00 0.00 O ATOM 779 CB ILE A 47 7.585 -16.807 1.032 1.00 0.00 C ATOM 780 CG1 ILE A 47 7.660 -15.391 1.636 1.00 0.00 C ATOM 781 CG2 ILE A 47 7.870 -16.745 -0.471 1.00 0.00 C ATOM 782 CD1 ILE A 47 6.557 -14.484 1.068 1.00 0.00 C ATOM 0 H ILE A 47 6.626 -18.202 3.209 1.00 0.00 H new ATOM 0 HA ILE A 47 5.440 -16.758 0.846 1.00 0.00 H new ATOM 0 HB ILE A 47 8.333 -17.434 1.518 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.563 -15.450 2.720 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.637 -14.955 1.426 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.856 -16.311 -0.637 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.841 -17.751 -0.889 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.116 -16.128 -0.959 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.636 -13.492 1.513 1.00 0.00 H new ATOM 0 HD12 ILE A 47 6.671 -14.406 -0.013 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.581 -14.909 1.301 1.00 0.00 H new ATOM 794 N LYS A 48 5.703 -18.853 -0.625 1.00 0.00 N ATOM 795 CA LYS A 48 5.607 -20.167 -1.333 1.00 0.00 C ATOM 796 C LYS A 48 6.069 -19.988 -2.779 1.00 0.00 C ATOM 797 O LYS A 48 6.905 -20.722 -3.269 1.00 0.00 O ATOM 798 CB LYS A 48 4.152 -20.637 -1.314 1.00 0.00 C ATOM 799 CG LYS A 48 4.029 -21.978 -2.040 1.00 0.00 C ATOM 800 CD LYS A 48 2.623 -22.540 -1.823 1.00 0.00 C ATOM 801 CE LYS A 48 2.533 -23.945 -2.420 1.00 0.00 C ATOM 802 NZ LYS A 48 1.294 -24.612 -1.930 1.00 0.00 N ATOM 0 H LYS A 48 5.412 -18.045 -1.176 1.00 0.00 H new ATOM 0 HA LYS A 48 6.236 -20.907 -0.838 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.806 -20.737 -0.285 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.514 -19.894 -1.793 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.221 -21.848 -3.105 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.775 -22.678 -1.665 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.394 -22.571 -0.758 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.884 -21.888 -2.289 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.523 -23.890 -3.509 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.409 -24.529 -2.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.231 -25.568 -2.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.322 -24.677 -0.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.463 -24.058 -2.220 1.00 0.00 H new ATOM 816 N GLU A 49 5.537 -19.014 -3.464 1.00 0.00 N ATOM 817 CA GLU A 49 5.954 -18.786 -4.874 1.00 0.00 C ATOM 818 C GLU A 49 7.350 -18.159 -4.877 1.00 0.00 C ATOM 819 O GLU A 49 7.537 -17.042 -5.317 1.00 0.00 O ATOM 820 CB GLU A 49 4.958 -17.843 -5.561 1.00 0.00 C ATOM 821 CG GLU A 49 3.528 -18.238 -5.181 1.00 0.00 C ATOM 822 CD GLU A 49 2.538 -17.306 -5.882 1.00 0.00 C ATOM 823 OE1 GLU A 49 2.184 -17.592 -7.014 1.00 0.00 O ATOM 824 OE2 GLU A 49 2.150 -16.322 -5.274 1.00 0.00 O ATOM 0 H GLU A 49 4.833 -18.368 -3.108 1.00 0.00 H new ATOM 0 HA GLU A 49 5.973 -19.732 -5.415 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.153 -16.813 -5.263 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.084 -17.891 -6.643 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.336 -19.272 -5.468 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.398 -18.178 -4.100 1.00 0.00 H new ATOM 831 N GLN A 50 8.326 -18.862 -4.367 1.00 0.00 N ATOM 832 CA GLN A 50 9.710 -18.306 -4.312 1.00 0.00 C ATOM 833 C GLN A 50 10.062 -17.623 -5.636 1.00 0.00 C ATOM 834 O GLN A 50 10.901 -16.746 -5.687 1.00 0.00 O ATOM 835 CB GLN A 50 10.700 -19.445 -4.056 1.00 0.00 C ATOM 836 CG GLN A 50 10.279 -20.215 -2.803 1.00 0.00 C ATOM 837 CD GLN A 50 11.302 -21.314 -2.510 1.00 0.00 C ATOM 838 OE1 GLN A 50 12.369 -21.044 -1.996 1.00 0.00 O ATOM 839 NE2 GLN A 50 11.020 -22.550 -2.818 1.00 0.00 N ATOM 0 H GLN A 50 8.224 -19.802 -3.984 1.00 0.00 H new ATOM 0 HA GLN A 50 9.765 -17.572 -3.508 1.00 0.00 H new ATOM 0 HB2 GLN A 50 10.729 -20.115 -4.915 1.00 0.00 H new ATOM 0 HB3 GLN A 50 11.706 -19.045 -3.929 1.00 0.00 H new ATOM 0 HG2 GLN A 50 10.206 -19.536 -1.954 1.00 0.00 H new ATOM 0 HG3 GLN A 50 9.291 -20.652 -2.947 1.00 0.00 H new ATOM 0 HE21 GLN A 50 10.124 -22.776 -3.250 1.00 0.00 H new ATOM 0 HE22 GLN A 50 11.696 -23.290 -2.627 1.00 0.00 H new ATOM 848 N GLU A 51 9.431 -18.015 -6.708 1.00 0.00 N ATOM 849 CA GLU A 51 9.739 -17.382 -8.022 1.00 0.00 C ATOM 850 C GLU A 51 9.142 -15.973 -8.078 1.00 0.00 C ATOM 851 O GLU A 51 9.613 -15.129 -8.814 1.00 0.00 O ATOM 852 CB GLU A 51 9.191 -18.236 -9.167 1.00 0.00 C ATOM 853 CG GLU A 51 9.568 -19.702 -8.939 1.00 0.00 C ATOM 854 CD GLU A 51 8.990 -20.557 -10.068 1.00 0.00 C ATOM 855 OE1 GLU A 51 9.605 -20.609 -11.120 1.00 0.00 O ATOM 856 OE2 GLU A 51 7.942 -21.146 -9.860 1.00 0.00 O ATOM 0 H GLU A 51 8.718 -18.744 -6.732 1.00 0.00 H new ATOM 0 HA GLU A 51 10.821 -17.311 -8.131 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.107 -18.133 -9.225 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.595 -17.890 -10.118 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.652 -19.809 -8.905 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.184 -20.042 -7.977 1.00 0.00 H new ATOM 863 N VAL A 52 8.143 -15.685 -7.291 1.00 0.00 N ATOM 864 CA VAL A 52 7.581 -14.304 -7.300 1.00 0.00 C ATOM 865 C VAL A 52 8.558 -13.393 -6.554 1.00 0.00 C ATOM 866 O VAL A 52 8.945 -12.354 -7.049 1.00 0.00 O ATOM 867 CB VAL A 52 6.217 -14.290 -6.596 1.00 0.00 C ATOM 868 CG1 VAL A 52 5.775 -12.845 -6.340 1.00 0.00 C ATOM 869 CG2 VAL A 52 5.180 -14.980 -7.482 1.00 0.00 C ATOM 0 H VAL A 52 7.695 -16.338 -6.648 1.00 0.00 H new ATOM 0 HA VAL A 52 7.444 -13.958 -8.325 1.00 0.00 H new ATOM 0 HB VAL A 52 6.302 -14.816 -5.645 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.806 -12.844 -5.840 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.510 -12.346 -5.708 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.694 -12.316 -7.289 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.211 -14.971 -6.983 1.00 0.00 H new ATOM 0 HG22 VAL A 52 5.104 -14.451 -8.432 1.00 0.00 H new ATOM 0 HG23 VAL A 52 5.485 -16.011 -7.664 1.00 0.00 H new ATOM 879 N VAL A 53 8.970 -13.768 -5.376 1.00 0.00 N ATOM 880 CA VAL A 53 9.927 -12.909 -4.627 1.00 0.00 C ATOM 881 C VAL A 53 11.231 -12.805 -5.419 1.00 0.00 C ATOM 882 O VAL A 53 11.900 -11.792 -5.404 1.00 0.00 O ATOM 883 CB VAL A 53 10.210 -13.529 -3.258 1.00 0.00 C ATOM 884 CG1 VAL A 53 11.273 -12.702 -2.532 1.00 0.00 C ATOM 885 CG2 VAL A 53 8.924 -13.543 -2.429 1.00 0.00 C ATOM 0 H VAL A 53 8.688 -14.626 -4.902 1.00 0.00 H new ATOM 0 HA VAL A 53 9.499 -11.916 -4.490 1.00 0.00 H new ATOM 0 HB VAL A 53 10.570 -14.549 -3.390 1.00 0.00 H new ATOM 0 HG11 VAL A 53 11.474 -13.144 -1.556 1.00 0.00 H new ATOM 0 HG12 VAL A 53 12.190 -12.690 -3.121 1.00 0.00 H new ATOM 0 HG13 VAL A 53 10.913 -11.682 -2.401 1.00 0.00 H new ATOM 0 HG21 VAL A 53 9.125 -13.985 -1.453 1.00 0.00 H new ATOM 0 HG22 VAL A 53 8.564 -12.522 -2.298 1.00 0.00 H new ATOM 0 HG23 VAL A 53 8.165 -14.132 -2.944 1.00 0.00 H new ATOM 895 N ASP A 54 11.597 -13.848 -6.110 1.00 0.00 N ATOM 896 CA ASP A 54 12.857 -13.808 -6.901 1.00 0.00 C ATOM 897 C ASP A 54 12.772 -12.685 -7.938 1.00 0.00 C ATOM 898 O ASP A 54 13.706 -11.934 -8.134 1.00 0.00 O ATOM 899 CB ASP A 54 13.056 -15.145 -7.618 1.00 0.00 C ATOM 900 CG ASP A 54 13.311 -16.247 -6.587 1.00 0.00 C ATOM 901 OD1 ASP A 54 13.188 -15.967 -5.407 1.00 0.00 O ATOM 902 OD2 ASP A 54 13.625 -17.352 -6.998 1.00 0.00 O ATOM 0 H ASP A 54 11.079 -14.725 -6.161 1.00 0.00 H new ATOM 0 HA ASP A 54 13.698 -13.626 -6.232 1.00 0.00 H new ATOM 0 HB2 ASP A 54 12.174 -15.386 -8.212 1.00 0.00 H new ATOM 0 HB3 ASP A 54 13.897 -15.077 -8.309 1.00 0.00 H new ATOM 907 N LYS A 55 11.657 -12.575 -8.616 1.00 0.00 N ATOM 908 CA LYS A 55 11.516 -11.513 -9.653 1.00 0.00 C ATOM 909 C LYS A 55 11.449 -10.139 -8.985 1.00 0.00 C ATOM 910 O LYS A 55 11.832 -9.145 -9.569 1.00 0.00 O ATOM 911 CB LYS A 55 10.254 -11.755 -10.481 1.00 0.00 C ATOM 912 CG LYS A 55 10.414 -13.044 -11.289 1.00 0.00 C ATOM 913 CD LYS A 55 9.065 -13.442 -11.891 1.00 0.00 C ATOM 914 CE LYS A 55 9.229 -14.726 -12.708 1.00 0.00 C ATOM 915 NZ LYS A 55 10.396 -14.589 -13.624 1.00 0.00 N ATOM 0 H LYS A 55 10.841 -13.175 -8.495 1.00 0.00 H new ATOM 0 HA LYS A 55 12.382 -11.544 -10.314 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.385 -11.829 -9.827 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.078 -10.913 -11.150 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.149 -12.900 -12.081 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.788 -13.843 -10.649 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.332 -13.594 -11.099 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.687 -12.640 -12.526 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.374 -15.577 -12.042 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.324 -14.922 -13.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.281 -15.235 -14.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.453 -13.610 -13.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.269 -14.827 -13.112 1.00 0.00 H new ATOM 929 N VAL A 56 11.008 -10.066 -7.759 1.00 0.00 N ATOM 930 CA VAL A 56 10.974 -8.749 -7.068 1.00 0.00 C ATOM 931 C VAL A 56 12.412 -8.248 -6.925 1.00 0.00 C ATOM 932 O VAL A 56 12.754 -7.171 -7.369 1.00 0.00 O ATOM 933 CB VAL A 56 10.354 -8.922 -5.679 1.00 0.00 C ATOM 934 CG1 VAL A 56 10.470 -7.611 -4.899 1.00 0.00 C ATOM 935 CG2 VAL A 56 8.875 -9.300 -5.826 1.00 0.00 C ATOM 0 H VAL A 56 10.672 -10.857 -7.210 1.00 0.00 H new ATOM 0 HA VAL A 56 10.380 -8.035 -7.639 1.00 0.00 H new ATOM 0 HB VAL A 56 10.881 -9.710 -5.141 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.028 -7.736 -3.910 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.521 -7.341 -4.795 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.944 -6.821 -5.435 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.431 -9.424 -4.838 1.00 0.00 H new ATOM 0 HG22 VAL A 56 8.349 -8.511 -6.364 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.792 -10.235 -6.381 1.00 0.00 H new ATOM 945 N MET A 57 13.255 -9.028 -6.307 1.00 0.00 N ATOM 946 CA MET A 57 14.674 -8.609 -6.127 1.00 0.00 C ATOM 947 C MET A 57 15.288 -8.226 -7.477 1.00 0.00 C ATOM 948 O MET A 57 16.210 -7.437 -7.541 1.00 0.00 O ATOM 949 CB MET A 57 15.470 -9.767 -5.510 1.00 0.00 C ATOM 950 CG MET A 57 15.246 -9.813 -3.995 1.00 0.00 C ATOM 951 SD MET A 57 13.482 -9.632 -3.628 1.00 0.00 S ATOM 952 CE MET A 57 13.668 -9.007 -1.939 1.00 0.00 C ATOM 0 H MET A 57 13.021 -9.941 -5.917 1.00 0.00 H new ATOM 0 HA MET A 57 14.710 -7.743 -5.466 1.00 0.00 H new ATOM 0 HB2 MET A 57 15.161 -10.711 -5.960 1.00 0.00 H new ATOM 0 HB3 MET A 57 16.532 -9.644 -5.725 1.00 0.00 H new ATOM 0 HG2 MET A 57 15.615 -10.756 -3.592 1.00 0.00 H new ATOM 0 HG3 MET A 57 15.811 -9.017 -3.511 1.00 0.00 H new ATOM 0 HE1 MET A 57 12.717 -9.090 -1.414 1.00 0.00 H new ATOM 0 HE2 MET A 57 14.424 -9.593 -1.416 1.00 0.00 H new ATOM 0 HE3 MET A 57 13.976 -7.962 -1.970 1.00 0.00 H new ATOM 962 N GLU A 58 14.780 -8.753 -8.564 1.00 0.00 N ATOM 963 CA GLU A 58 15.337 -8.385 -9.902 1.00 0.00 C ATOM 964 C GLU A 58 14.663 -7.103 -10.400 1.00 0.00 C ATOM 965 O GLU A 58 15.287 -6.281 -11.039 1.00 0.00 O ATOM 966 CB GLU A 58 15.128 -9.523 -10.904 1.00 0.00 C ATOM 967 CG GLU A 58 16.066 -10.685 -10.566 1.00 0.00 C ATOM 968 CD GLU A 58 16.046 -11.706 -11.705 1.00 0.00 C ATOM 969 OE1 GLU A 58 15.946 -11.287 -12.847 1.00 0.00 O ATOM 970 OE2 GLU A 58 16.130 -12.888 -11.417 1.00 0.00 O ATOM 0 H GLU A 58 14.008 -9.419 -8.583 1.00 0.00 H new ATOM 0 HA GLU A 58 16.409 -8.213 -9.806 1.00 0.00 H new ATOM 0 HB2 GLU A 58 14.092 -9.859 -10.876 1.00 0.00 H new ATOM 0 HB3 GLU A 58 15.321 -9.169 -11.917 1.00 0.00 H new ATOM 0 HG2 GLU A 58 17.080 -10.315 -10.413 1.00 0.00 H new ATOM 0 HG3 GLU A 58 15.755 -11.158 -9.634 1.00 0.00 H new ATOM 977 N THR A 59 13.409 -6.903 -10.103 1.00 0.00 N ATOM 978 CA THR A 59 12.747 -5.652 -10.558 1.00 0.00 C ATOM 979 C THR A 59 13.370 -4.479 -9.802 1.00 0.00 C ATOM 980 O THR A 59 13.748 -3.491 -10.399 1.00 0.00 O ATOM 981 CB THR A 59 11.247 -5.727 -10.288 1.00 0.00 C ATOM 982 OG1 THR A 59 11.033 -6.249 -8.987 1.00 0.00 O ATOM 983 CG2 THR A 59 10.580 -6.635 -11.323 1.00 0.00 C ATOM 0 H THR A 59 12.821 -7.544 -9.571 1.00 0.00 H new ATOM 0 HA THR A 59 12.890 -5.517 -11.630 1.00 0.00 H new ATOM 0 HB THR A 59 10.814 -4.729 -10.358 1.00 0.00 H new ATOM 0 HG1 THR A 59 11.889 -6.531 -8.603 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.509 -6.686 -11.126 1.00 0.00 H new ATOM 0 HG22 THR A 59 10.747 -6.232 -12.322 1.00 0.00 H new ATOM 0 HG23 THR A 59 11.008 -7.635 -11.259 1.00 0.00 H new ATOM 991 N LEU A 60 13.523 -4.574 -8.512 1.00 0.00 N ATOM 992 CA LEU A 60 14.170 -3.454 -7.777 1.00 0.00 C ATOM 993 C LEU A 60 15.595 -3.288 -8.312 1.00 0.00 C ATOM 994 O LEU A 60 15.974 -2.231 -8.774 1.00 0.00 O ATOM 995 CB LEU A 60 14.219 -3.781 -6.274 1.00 0.00 C ATOM 996 CG LEU A 60 12.878 -3.441 -5.611 1.00 0.00 C ATOM 997 CD1 LEU A 60 11.816 -4.453 -6.040 1.00 0.00 C ATOM 998 CD2 LEU A 60 13.041 -3.494 -4.091 1.00 0.00 C ATOM 0 H LEU A 60 13.232 -5.368 -7.941 1.00 0.00 H new ATOM 0 HA LEU A 60 13.603 -2.534 -7.920 1.00 0.00 H new ATOM 0 HB2 LEU A 60 14.445 -4.838 -6.132 1.00 0.00 H new ATOM 0 HB3 LEU A 60 15.021 -3.217 -5.798 1.00 0.00 H new ATOM 0 HG LEU A 60 12.567 -2.442 -5.916 1.00 0.00 H new ATOM 0 HD11 LEU A 60 10.866 -4.206 -5.566 1.00 0.00 H new ATOM 0 HD12 LEU A 60 11.700 -4.422 -7.123 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.124 -5.454 -5.737 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.091 -3.253 -3.615 1.00 0.00 H new ATOM 0 HD22 LEU A 60 13.353 -4.495 -3.793 1.00 0.00 H new ATOM 0 HD23 LEU A 60 13.796 -2.772 -3.781 1.00 0.00 H new ATOM 1010 N ASP A 61 16.388 -4.326 -8.260 1.00 0.00 N ATOM 1011 CA ASP A 61 17.781 -4.219 -8.774 1.00 0.00 C ATOM 1012 C ASP A 61 17.753 -3.660 -10.198 1.00 0.00 C ATOM 1013 O ASP A 61 18.714 -3.081 -10.665 1.00 0.00 O ATOM 1014 CB ASP A 61 18.431 -5.604 -8.781 1.00 0.00 C ATOM 1015 CG ASP A 61 18.705 -6.047 -7.343 1.00 0.00 C ATOM 1016 OD1 ASP A 61 18.097 -5.486 -6.446 1.00 0.00 O ATOM 1017 OD2 ASP A 61 19.518 -6.938 -7.162 1.00 0.00 O ATOM 0 H ASP A 61 16.131 -5.239 -7.885 1.00 0.00 H new ATOM 0 HA ASP A 61 18.357 -3.553 -8.132 1.00 0.00 H new ATOM 0 HB2 ASP A 61 17.777 -6.322 -9.275 1.00 0.00 H new ATOM 0 HB3 ASP A 61 19.361 -5.578 -9.348 1.00 0.00 H new ATOM 1022 N GLU A 62 16.652 -3.829 -10.892 1.00 0.00 N ATOM 1023 CA GLU A 62 16.546 -3.310 -12.294 1.00 0.00 C ATOM 1024 C GLU A 62 15.748 -2.014 -12.284 1.00 0.00 C ATOM 1025 O GLU A 62 14.918 -1.755 -13.133 1.00 0.00 O ATOM 1026 CB GLU A 62 15.830 -4.311 -13.148 1.00 0.00 C ATOM 1027 CG GLU A 62 16.709 -5.544 -13.363 1.00 0.00 C ATOM 1028 CD GLU A 62 17.828 -5.205 -14.349 1.00 0.00 C ATOM 1029 OE1 GLU A 62 17.525 -4.643 -15.388 1.00 0.00 O ATOM 1030 OE2 GLU A 62 18.969 -5.514 -14.047 1.00 0.00 O ATOM 0 H GLU A 62 15.819 -4.306 -10.546 1.00 0.00 H new ATOM 0 HA GLU A 62 17.545 -3.135 -12.693 1.00 0.00 H new ATOM 0 HB2 GLU A 62 14.893 -4.601 -12.673 1.00 0.00 H new ATOM 0 HB3 GLU A 62 15.575 -3.864 -14.109 1.00 0.00 H new ATOM 0 HG2 GLU A 62 17.133 -5.872 -12.414 1.00 0.00 H new ATOM 0 HG3 GLU A 62 16.109 -6.369 -13.746 1.00 0.00 H new ATOM 1037 N ASP A 63 16.016 -1.216 -11.327 1.00 0.00 N ATOM 1038 CA ASP A 63 15.320 0.098 -11.187 1.00 0.00 C ATOM 1039 C ASP A 63 15.233 0.786 -12.551 1.00 0.00 C ATOM 1040 O ASP A 63 14.259 1.432 -12.876 1.00 0.00 O ATOM 1041 CB ASP A 63 16.163 0.978 -10.256 1.00 0.00 C ATOM 1042 CG ASP A 63 15.498 2.346 -10.095 1.00 0.00 C ATOM 1043 OD1 ASP A 63 14.319 2.379 -9.785 1.00 0.00 O ATOM 1044 OD2 ASP A 63 16.183 3.338 -10.280 1.00 0.00 O ATOM 0 H ASP A 63 16.708 -1.407 -10.602 1.00 0.00 H new ATOM 0 HA ASP A 63 14.316 -0.052 -10.791 1.00 0.00 H new ATOM 0 HB2 ASP A 63 16.268 0.498 -9.283 1.00 0.00 H new ATOM 0 HB3 ASP A 63 17.167 1.097 -10.663 1.00 0.00 H new ATOM 1049 N GLY A 64 16.239 0.602 -13.357 1.00 0.00 N ATOM 1050 CA GLY A 64 16.254 1.189 -14.735 1.00 0.00 C ATOM 1051 C GLY A 64 15.983 2.705 -14.734 1.00 0.00 C ATOM 1052 O GLY A 64 16.195 3.357 -15.736 1.00 0.00 O ATOM 0 H GLY A 64 17.070 0.060 -13.119 1.00 0.00 H new ATOM 0 HA2 GLY A 64 17.222 0.997 -15.198 1.00 0.00 H new ATOM 0 HA3 GLY A 64 15.503 0.689 -15.347 1.00 0.00 H new ATOM 1056 N ASP A 65 15.532 3.285 -13.639 1.00 0.00 N ATOM 1057 CA ASP A 65 15.271 4.776 -13.626 1.00 0.00 C ATOM 1058 C ASP A 65 16.373 5.550 -12.856 1.00 0.00 C ATOM 1059 O ASP A 65 16.652 6.682 -13.198 1.00 0.00 O ATOM 1060 CB ASP A 65 13.917 5.046 -12.962 1.00 0.00 C ATOM 1061 CG ASP A 65 13.803 4.248 -11.664 1.00 0.00 C ATOM 1062 OD1 ASP A 65 14.309 4.717 -10.657 1.00 0.00 O ATOM 1063 OD2 ASP A 65 13.205 3.186 -11.696 1.00 0.00 O ATOM 0 H ASP A 65 15.334 2.802 -12.763 1.00 0.00 H new ATOM 0 HA ASP A 65 15.272 5.123 -14.659 1.00 0.00 H new ATOM 0 HB2 ASP A 65 13.810 6.111 -12.754 1.00 0.00 H new ATOM 0 HB3 ASP A 65 13.109 4.771 -13.640 1.00 0.00 H new ATOM 1068 N GLY A 66 17.005 4.993 -11.836 1.00 0.00 N ATOM 1069 CA GLY A 66 18.068 5.751 -11.094 1.00 0.00 C ATOM 1070 C GLY A 66 17.514 6.209 -9.742 1.00 0.00 C ATOM 1071 O GLY A 66 18.251 6.408 -8.797 1.00 0.00 O ATOM 0 H GLY A 66 16.828 4.050 -11.491 1.00 0.00 H new ATOM 0 HA2 GLY A 66 18.944 5.120 -10.946 1.00 0.00 H new ATOM 0 HA3 GLY A 66 18.391 6.613 -11.678 1.00 0.00 H new ATOM 1075 N GLU A 67 16.219 6.368 -9.636 1.00 0.00 N ATOM 1076 CA GLU A 67 15.619 6.803 -8.336 1.00 0.00 C ATOM 1077 C GLU A 67 14.231 6.177 -8.170 1.00 0.00 C ATOM 1078 O GLU A 67 13.402 6.267 -9.054 1.00 0.00 O ATOM 1079 CB GLU A 67 15.501 8.327 -8.337 1.00 0.00 C ATOM 1080 CG GLU A 67 14.463 8.765 -9.381 1.00 0.00 C ATOM 1081 CD GLU A 67 14.652 10.248 -9.715 1.00 0.00 C ATOM 1082 OE1 GLU A 67 15.786 10.698 -9.713 1.00 0.00 O ATOM 1083 OE2 GLU A 67 13.658 10.908 -9.968 1.00 0.00 O ATOM 0 H GLU A 67 15.551 6.216 -10.392 1.00 0.00 H new ATOM 0 HA GLU A 67 16.252 6.480 -7.509 1.00 0.00 H new ATOM 0 HB2 GLU A 67 15.207 8.679 -7.348 1.00 0.00 H new ATOM 0 HB3 GLU A 67 16.468 8.776 -8.561 1.00 0.00 H new ATOM 0 HG2 GLU A 67 14.567 8.164 -10.284 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.456 8.595 -8.999 1.00 0.00 H new ATOM 1090 N CYS A 68 13.958 5.551 -7.048 1.00 0.00 N ATOM 1091 CA CYS A 68 12.608 4.931 -6.837 1.00 0.00 C ATOM 1092 C CYS A 68 11.769 5.845 -5.939 1.00 0.00 C ATOM 1093 O CYS A 68 12.176 6.205 -4.853 1.00 0.00 O ATOM 1094 CB CYS A 68 12.770 3.566 -6.165 1.00 0.00 C ATOM 1095 SG CYS A 68 13.932 2.557 -7.117 1.00 0.00 S ATOM 0 H CYS A 68 14.610 5.443 -6.271 1.00 0.00 H new ATOM 0 HA CYS A 68 12.111 4.803 -7.798 1.00 0.00 H new ATOM 0 HB2 CYS A 68 13.133 3.692 -5.145 1.00 0.00 H new ATOM 0 HB3 CYS A 68 11.805 3.064 -6.100 1.00 0.00 H new ATOM 0 HG CYS A 68 13.906 2.925 -8.364 1.00 0.00 H new ATOM 1101 N ASP A 69 10.603 6.229 -6.387 1.00 0.00 N ATOM 1102 CA ASP A 69 9.742 7.126 -5.561 1.00 0.00 C ATOM 1103 C ASP A 69 8.951 6.297 -4.544 1.00 0.00 C ATOM 1104 O ASP A 69 9.129 5.101 -4.427 1.00 0.00 O ATOM 1105 CB ASP A 69 8.769 7.875 -6.473 1.00 0.00 C ATOM 1106 CG ASP A 69 8.111 9.015 -5.693 1.00 0.00 C ATOM 1107 OD1 ASP A 69 8.837 9.807 -5.116 1.00 0.00 O ATOM 1108 OD2 ASP A 69 6.893 9.076 -5.685 1.00 0.00 O ATOM 0 H ASP A 69 10.210 5.960 -7.289 1.00 0.00 H new ATOM 0 HA ASP A 69 10.372 7.840 -5.030 1.00 0.00 H new ATOM 0 HB2 ASP A 69 9.298 8.271 -7.339 1.00 0.00 H new ATOM 0 HB3 ASP A 69 8.008 7.192 -6.850 1.00 0.00 H new ATOM 1113 N PHE A 70 8.068 6.927 -3.815 1.00 0.00 N ATOM 1114 CA PHE A 70 7.253 6.180 -2.812 1.00 0.00 C ATOM 1115 C PHE A 70 6.182 5.370 -3.547 1.00 0.00 C ATOM 1116 O PHE A 70 5.823 4.286 -3.132 1.00 0.00 O ATOM 1117 CB PHE A 70 6.596 7.175 -1.849 1.00 0.00 C ATOM 1118 CG PHE A 70 5.992 6.449 -0.666 1.00 0.00 C ATOM 1119 CD1 PHE A 70 4.804 5.720 -0.817 1.00 0.00 C ATOM 1120 CD2 PHE A 70 6.614 6.517 0.587 1.00 0.00 C ATOM 1121 CE1 PHE A 70 4.244 5.058 0.282 1.00 0.00 C ATOM 1122 CE2 PHE A 70 6.052 5.857 1.685 1.00 0.00 C ATOM 1123 CZ PHE A 70 4.868 5.127 1.533 1.00 0.00 C ATOM 0 H PHE A 70 7.876 7.927 -3.871 1.00 0.00 H new ATOM 0 HA PHE A 70 7.888 5.503 -2.241 1.00 0.00 H new ATOM 0 HB2 PHE A 70 7.336 7.896 -1.501 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.822 7.738 -2.371 1.00 0.00 H new ATOM 0 HD1 PHE A 70 4.321 5.669 -1.782 1.00 0.00 H new ATOM 0 HD2 PHE A 70 7.528 7.079 0.706 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.330 4.494 0.165 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.532 5.911 2.651 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.436 4.617 2.381 1.00 0.00 H new ATOM 1133 N GLN A 71 5.674 5.872 -4.636 1.00 0.00 N ATOM 1134 CA GLN A 71 4.637 5.107 -5.384 1.00 0.00 C ATOM 1135 C GLN A 71 5.227 3.765 -5.828 1.00 0.00 C ATOM 1136 O GLN A 71 4.560 2.749 -5.817 1.00 0.00 O ATOM 1137 CB GLN A 71 4.203 5.907 -6.616 1.00 0.00 C ATOM 1138 CG GLN A 71 3.428 7.157 -6.179 1.00 0.00 C ATOM 1139 CD GLN A 71 1.993 6.775 -5.804 1.00 0.00 C ATOM 1140 OE1 GLN A 71 1.765 6.134 -4.798 1.00 0.00 O ATOM 1141 NE2 GLN A 71 1.010 7.146 -6.578 1.00 0.00 N ATOM 0 H GLN A 71 5.929 6.773 -5.040 1.00 0.00 H new ATOM 0 HA GLN A 71 3.773 4.934 -4.743 1.00 0.00 H new ATOM 0 HB2 GLN A 71 5.077 6.196 -7.200 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.579 5.288 -7.261 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.924 7.624 -5.328 1.00 0.00 H new ATOM 0 HG3 GLN A 71 3.420 7.891 -6.985 1.00 0.00 H new ATOM 0 HE21 GLN A 71 1.201 7.684 -7.423 1.00 0.00 H new ATOM 0 HE22 GLN A 71 0.050 6.898 -6.338 1.00 0.00 H new ATOM 1150 N GLU A 72 6.473 3.748 -6.212 1.00 0.00 N ATOM 1151 CA GLU A 72 7.104 2.469 -6.650 1.00 0.00 C ATOM 1152 C GLU A 72 7.350 1.566 -5.435 1.00 0.00 C ATOM 1153 O GLU A 72 7.375 0.359 -5.543 1.00 0.00 O ATOM 1154 CB GLU A 72 8.431 2.760 -7.355 1.00 0.00 C ATOM 1155 CG GLU A 72 8.162 3.473 -8.682 1.00 0.00 C ATOM 1156 CD GLU A 72 9.458 3.554 -9.490 1.00 0.00 C ATOM 1157 OE1 GLU A 72 10.296 2.685 -9.317 1.00 0.00 O ATOM 1158 OE2 GLU A 72 9.591 4.484 -10.269 1.00 0.00 O ATOM 0 H GLU A 72 7.083 4.565 -6.242 1.00 0.00 H new ATOM 0 HA GLU A 72 6.434 1.961 -7.343 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.064 3.380 -6.719 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.971 1.830 -7.533 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.401 2.936 -9.248 1.00 0.00 H new ATOM 0 HG3 GLU A 72 7.773 4.474 -8.497 1.00 0.00 H new ATOM 1165 N PHE A 73 7.497 2.147 -4.276 1.00 0.00 N ATOM 1166 CA PHE A 73 7.712 1.337 -3.038 1.00 0.00 C ATOM 1167 C PHE A 73 6.392 0.683 -2.609 1.00 0.00 C ATOM 1168 O PHE A 73 6.381 -0.470 -2.231 1.00 0.00 O ATOM 1169 CB PHE A 73 8.285 2.229 -1.924 1.00 0.00 C ATOM 1170 CG PHE A 73 8.117 1.572 -0.565 1.00 0.00 C ATOM 1171 CD1 PHE A 73 8.593 0.272 -0.347 1.00 0.00 C ATOM 1172 CD2 PHE A 73 7.484 2.267 0.477 1.00 0.00 C ATOM 1173 CE1 PHE A 73 8.437 -0.330 0.907 1.00 0.00 C ATOM 1174 CE2 PHE A 73 7.329 1.663 1.730 1.00 0.00 C ATOM 1175 CZ PHE A 73 7.805 0.365 1.945 1.00 0.00 C ATOM 0 H PHE A 73 7.478 3.156 -4.130 1.00 0.00 H new ATOM 0 HA PHE A 73 8.432 0.544 -3.239 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.342 2.420 -2.112 1.00 0.00 H new ATOM 0 HB3 PHE A 73 7.781 3.195 -1.930 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.080 -0.266 -1.147 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.116 3.269 0.312 1.00 0.00 H new ATOM 0 HE1 PHE A 73 8.805 -1.332 1.074 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.842 2.199 2.531 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.685 -0.101 2.912 1.00 0.00 H new ATOM 1185 N MET A 74 5.285 1.359 -2.666 1.00 0.00 N ATOM 1186 CA MET A 74 4.027 0.671 -2.254 1.00 0.00 C ATOM 1187 C MET A 74 3.768 -0.479 -3.240 1.00 0.00 C ATOM 1188 O MET A 74 3.511 -1.594 -2.831 1.00 0.00 O ATOM 1189 CB MET A 74 2.849 1.667 -2.236 1.00 0.00 C ATOM 1190 CG MET A 74 1.866 1.312 -1.109 1.00 0.00 C ATOM 1191 SD MET A 74 1.586 -0.483 -1.084 1.00 0.00 S ATOM 1192 CE MET A 74 1.835 -0.755 0.691 1.00 0.00 C ATOM 0 H MET A 74 5.190 2.328 -2.969 1.00 0.00 H new ATOM 0 HA MET A 74 4.126 0.272 -1.245 1.00 0.00 H new ATOM 0 HB2 MET A 74 3.224 2.681 -2.095 1.00 0.00 H new ATOM 0 HB3 MET A 74 2.334 1.648 -3.196 1.00 0.00 H new ATOM 0 HG2 MET A 74 2.264 1.641 -0.149 1.00 0.00 H new ATOM 0 HG3 MET A 74 0.922 1.835 -1.259 1.00 0.00 H new ATOM 0 HE1 MET A 74 1.705 -1.813 0.919 1.00 0.00 H new ATOM 0 HE2 MET A 74 2.842 -0.445 0.969 1.00 0.00 H new ATOM 0 HE3 MET A 74 1.107 -0.171 1.254 1.00 0.00 H new ATOM 1202 N ALA A 75 3.838 -0.246 -4.518 1.00 0.00 N ATOM 1203 CA ALA A 75 3.600 -1.356 -5.487 1.00 0.00 C ATOM 1204 C ALA A 75 4.481 -2.570 -5.160 1.00 0.00 C ATOM 1205 O ALA A 75 4.022 -3.694 -5.211 1.00 0.00 O ATOM 1206 CB ALA A 75 3.922 -0.866 -6.900 1.00 0.00 C ATOM 0 H ALA A 75 4.049 0.660 -4.936 1.00 0.00 H new ATOM 0 HA ALA A 75 2.555 -1.659 -5.419 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.750 -1.673 -7.613 1.00 0.00 H new ATOM 0 HB2 ALA A 75 3.280 -0.020 -7.147 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.966 -0.555 -6.948 1.00 0.00 H new ATOM 1212 N PHE A 76 5.731 -2.381 -4.837 1.00 0.00 N ATOM 1213 CA PHE A 76 6.582 -3.575 -4.531 1.00 0.00 C ATOM 1214 C PHE A 76 6.143 -4.197 -3.200 1.00 0.00 C ATOM 1215 O PHE A 76 6.224 -5.394 -3.011 1.00 0.00 O ATOM 1216 CB PHE A 76 8.070 -3.180 -4.453 1.00 0.00 C ATOM 1217 CG PHE A 76 8.657 -3.052 -5.850 1.00 0.00 C ATOM 1218 CD1 PHE A 76 8.642 -4.147 -6.733 1.00 0.00 C ATOM 1219 CD2 PHE A 76 9.215 -1.835 -6.267 1.00 0.00 C ATOM 1220 CE1 PHE A 76 9.178 -4.017 -8.020 1.00 0.00 C ATOM 1221 CE2 PHE A 76 9.751 -1.710 -7.553 1.00 0.00 C ATOM 1222 CZ PHE A 76 9.731 -2.799 -8.430 1.00 0.00 C ATOM 0 H PHE A 76 6.195 -1.475 -4.771 1.00 0.00 H new ATOM 0 HA PHE A 76 6.458 -4.302 -5.333 1.00 0.00 H new ATOM 0 HB2 PHE A 76 8.175 -2.235 -3.919 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.623 -3.929 -3.886 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.217 -5.088 -6.418 1.00 0.00 H new ATOM 0 HD2 PHE A 76 9.231 -0.991 -5.593 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.165 -4.858 -8.697 1.00 0.00 H new ATOM 0 HE2 PHE A 76 10.181 -0.771 -7.869 1.00 0.00 H new ATOM 0 HZ PHE A 76 10.142 -2.700 -9.424 1.00 0.00 H new ATOM 1232 N VAL A 77 5.675 -3.401 -2.283 1.00 0.00 N ATOM 1233 CA VAL A 77 5.231 -3.965 -0.976 1.00 0.00 C ATOM 1234 C VAL A 77 4.017 -4.874 -1.205 1.00 0.00 C ATOM 1235 O VAL A 77 3.843 -5.870 -0.532 1.00 0.00 O ATOM 1236 CB VAL A 77 4.856 -2.823 -0.022 1.00 0.00 C ATOM 1237 CG1 VAL A 77 4.165 -3.391 1.223 1.00 0.00 C ATOM 1238 CG2 VAL A 77 6.126 -2.074 0.402 1.00 0.00 C ATOM 0 H VAL A 77 5.580 -2.390 -2.378 1.00 0.00 H new ATOM 0 HA VAL A 77 6.040 -4.546 -0.533 1.00 0.00 H new ATOM 0 HB VAL A 77 4.177 -2.139 -0.532 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.901 -2.576 1.897 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.261 -3.924 0.927 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.841 -4.078 1.732 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.861 -1.263 1.080 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.803 -2.763 0.908 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.618 -1.664 -0.480 1.00 0.00 H new ATOM 1248 N SER A 78 3.176 -4.542 -2.146 1.00 0.00 N ATOM 1249 CA SER A 78 1.978 -5.392 -2.407 1.00 0.00 C ATOM 1250 C SER A 78 2.405 -6.712 -3.061 1.00 0.00 C ATOM 1251 O SER A 78 2.059 -7.782 -2.602 1.00 0.00 O ATOM 1252 CB SER A 78 1.022 -4.650 -3.344 1.00 0.00 C ATOM 1253 OG SER A 78 1.399 -4.898 -4.692 1.00 0.00 O ATOM 0 H SER A 78 3.266 -3.721 -2.745 1.00 0.00 H new ATOM 0 HA SER A 78 1.478 -5.604 -1.462 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.002 -4.981 -3.174 1.00 0.00 H new ATOM 0 HB3 SER A 78 1.049 -3.580 -3.138 1.00 0.00 H new ATOM 0 HG SER A 78 0.705 -5.431 -5.133 1.00 0.00 H new ATOM 1259 N MET A 79 3.133 -6.643 -4.143 1.00 0.00 N ATOM 1260 CA MET A 79 3.558 -7.891 -4.844 1.00 0.00 C ATOM 1261 C MET A 79 4.194 -8.874 -3.859 1.00 0.00 C ATOM 1262 O MET A 79 3.986 -10.069 -3.942 1.00 0.00 O ATOM 1263 CB MET A 79 4.581 -7.539 -5.928 1.00 0.00 C ATOM 1264 CG MET A 79 3.938 -6.615 -6.966 1.00 0.00 C ATOM 1265 SD MET A 79 4.951 -6.607 -8.471 1.00 0.00 S ATOM 1266 CE MET A 79 5.206 -4.818 -8.604 1.00 0.00 C ATOM 0 H MET A 79 3.453 -5.775 -4.573 1.00 0.00 H new ATOM 0 HA MET A 79 2.679 -8.357 -5.290 1.00 0.00 H new ATOM 0 HB2 MET A 79 5.447 -7.051 -5.480 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.941 -8.448 -6.410 1.00 0.00 H new ATOM 0 HG2 MET A 79 2.928 -6.954 -7.196 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.852 -5.605 -6.566 1.00 0.00 H new ATOM 0 HE1 MET A 79 5.816 -4.602 -9.481 1.00 0.00 H new ATOM 0 HE2 MET A 79 4.242 -4.319 -8.701 1.00 0.00 H new ATOM 0 HE3 MET A 79 5.714 -4.455 -7.710 1.00 0.00 H new ATOM 1276 N VAL A 80 4.972 -8.390 -2.933 1.00 0.00 N ATOM 1277 CA VAL A 80 5.620 -9.314 -1.958 1.00 0.00 C ATOM 1278 C VAL A 80 4.584 -9.810 -0.949 1.00 0.00 C ATOM 1279 O VAL A 80 4.466 -10.994 -0.702 1.00 0.00 O ATOM 1280 CB VAL A 80 6.735 -8.573 -1.215 1.00 0.00 C ATOM 1281 CG1 VAL A 80 7.332 -9.492 -0.148 1.00 0.00 C ATOM 1282 CG2 VAL A 80 7.830 -8.166 -2.204 1.00 0.00 C ATOM 0 H VAL A 80 5.187 -7.401 -2.808 1.00 0.00 H new ATOM 0 HA VAL A 80 6.039 -10.165 -2.495 1.00 0.00 H new ATOM 0 HB VAL A 80 6.324 -7.681 -0.742 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.126 -8.966 0.382 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.554 -9.782 0.559 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.741 -10.383 -0.623 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.622 -7.639 -1.673 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.242 -9.057 -2.678 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.407 -7.512 -2.966 1.00 0.00 H new ATOM 1292 N THR A 81 3.827 -8.921 -0.368 1.00 0.00 N ATOM 1293 CA THR A 81 2.798 -9.357 0.616 1.00 0.00 C ATOM 1294 C THR A 81 1.781 -10.251 -0.094 1.00 0.00 C ATOM 1295 O THR A 81 1.355 -11.260 0.428 1.00 0.00 O ATOM 1296 CB THR A 81 2.089 -8.130 1.195 1.00 0.00 C ATOM 1297 OG1 THR A 81 3.056 -7.227 1.712 1.00 0.00 O ATOM 1298 CG2 THR A 81 1.145 -8.566 2.317 1.00 0.00 C ATOM 0 H THR A 81 3.876 -7.915 -0.531 1.00 0.00 H new ATOM 0 HA THR A 81 3.273 -9.910 1.427 1.00 0.00 H new ATOM 0 HB THR A 81 1.514 -7.638 0.410 1.00 0.00 H new ATOM 0 HG1 THR A 81 3.298 -6.576 1.021 1.00 0.00 H new ATOM 0 HG21 THR A 81 0.641 -7.692 2.729 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.403 -9.259 1.920 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.717 -9.058 3.103 1.00 0.00 H new ATOM 1306 N THR A 82 1.395 -9.889 -1.286 1.00 0.00 N ATOM 1307 CA THR A 82 0.412 -10.717 -2.038 1.00 0.00 C ATOM 1308 C THR A 82 1.056 -12.054 -2.414 1.00 0.00 C ATOM 1309 O THR A 82 0.377 -13.027 -2.678 1.00 0.00 O ATOM 1310 CB THR A 82 -0.015 -9.981 -3.310 1.00 0.00 C ATOM 1311 OG1 THR A 82 1.137 -9.487 -3.977 1.00 0.00 O ATOM 1312 CG2 THR A 82 -0.937 -8.817 -2.943 1.00 0.00 C ATOM 0 H THR A 82 1.719 -9.053 -1.773 1.00 0.00 H new ATOM 0 HA THR A 82 -0.463 -10.896 -1.414 1.00 0.00 H new ATOM 0 HB THR A 82 -0.548 -10.668 -3.968 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.520 -8.746 -3.463 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.241 -8.293 -3.850 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.820 -9.200 -2.432 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.408 -8.127 -2.286 1.00 0.00 H new ATOM 1320 N ALA A 83 2.361 -12.115 -2.436 1.00 0.00 N ATOM 1321 CA ALA A 83 3.040 -13.395 -2.789 1.00 0.00 C ATOM 1322 C ALA A 83 2.817 -14.407 -1.666 1.00 0.00 C ATOM 1323 O ALA A 83 2.945 -15.600 -1.855 1.00 0.00 O ATOM 1324 CB ALA A 83 4.541 -13.154 -2.963 1.00 0.00 C ATOM 0 H ALA A 83 2.984 -11.336 -2.225 1.00 0.00 H new ATOM 0 HA ALA A 83 2.627 -13.779 -3.722 1.00 0.00 H new ATOM 0 HB1 ALA A 83 5.033 -14.092 -3.221 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.703 -12.428 -3.760 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.958 -12.770 -2.032 1.00 0.00 H new ATOM 1330 N CYS A 84 2.484 -13.937 -0.496 1.00 0.00 N ATOM 1331 CA CYS A 84 2.254 -14.872 0.644 1.00 0.00 C ATOM 1332 C CYS A 84 0.945 -15.635 0.421 1.00 0.00 C ATOM 1333 O CYS A 84 0.044 -15.159 -0.242 1.00 0.00 O ATOM 1334 CB CYS A 84 2.176 -14.077 1.953 1.00 0.00 C ATOM 1335 SG CYS A 84 0.573 -13.241 2.074 1.00 0.00 S ATOM 0 H CYS A 84 2.361 -12.948 -0.279 1.00 0.00 H new ATOM 0 HA CYS A 84 3.079 -15.582 0.705 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.312 -14.746 2.803 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.982 -13.344 1.992 1.00 0.00 H new ATOM 0 HG CYS A 84 0.618 -12.119 1.420 1.00 0.00 H new ATOM 1341 N HIS A 85 0.838 -16.820 0.966 1.00 0.00 N ATOM 1342 CA HIS A 85 -0.407 -17.628 0.787 1.00 0.00 C ATOM 1343 C HIS A 85 -1.642 -16.739 0.965 1.00 0.00 C ATOM 1344 O HIS A 85 -1.590 -15.708 1.605 1.00 0.00 O ATOM 1345 CB HIS A 85 -0.445 -18.745 1.833 1.00 0.00 C ATOM 1346 CG HIS A 85 0.860 -19.492 1.831 1.00 0.00 C ATOM 1347 ND1 HIS A 85 2.066 -18.876 2.124 1.00 0.00 N ATOM 1348 CD2 HIS A 85 1.161 -20.808 1.583 1.00 0.00 C ATOM 1349 CE1 HIS A 85 3.029 -19.812 2.045 1.00 0.00 C ATOM 1350 NE2 HIS A 85 2.532 -21.008 1.719 1.00 0.00 N ATOM 0 H HIS A 85 1.562 -17.265 1.530 1.00 0.00 H new ATOM 0 HA HIS A 85 -0.409 -18.055 -0.216 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -0.632 -18.324 2.821 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -1.266 -19.429 1.618 1.00 0.00 H new ATOM 0 HD2 HIS A 85 0.444 -21.572 1.322 1.00 0.00 H new ATOM 0 HE1 HIS A 85 4.077 -19.620 2.223 1.00 0.00 H new ATOM 0 HE2 HIS A 85 3.046 -21.880 1.596 1.00 0.00 H new ATOM 1358 N GLU A 86 -2.755 -17.135 0.408 1.00 0.00 N ATOM 1359 CA GLU A 86 -3.992 -16.317 0.551 1.00 0.00 C ATOM 1360 C GLU A 86 -4.207 -15.987 2.030 1.00 0.00 C ATOM 1361 O GLU A 86 -4.639 -16.817 2.805 1.00 0.00 O ATOM 1362 CB GLU A 86 -5.190 -17.110 0.023 1.00 0.00 C ATOM 1363 CG GLU A 86 -5.124 -17.182 -1.504 1.00 0.00 C ATOM 1364 CD GLU A 86 -3.856 -17.927 -1.926 1.00 0.00 C ATOM 1365 OE1 GLU A 86 -2.839 -17.276 -2.100 1.00 0.00 O ATOM 1366 OE2 GLU A 86 -3.923 -19.137 -2.068 1.00 0.00 O ATOM 0 H GLU A 86 -2.860 -17.989 -0.139 1.00 0.00 H new ATOM 0 HA GLU A 86 -3.891 -15.393 -0.019 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.188 -18.115 0.445 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.120 -16.635 0.335 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -6.005 -17.693 -1.893 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -5.126 -16.177 -1.926 1.00 0.00 H new ATOM 1373 N PHE A 87 -3.900 -14.783 2.430 1.00 0.00 N ATOM 1374 CA PHE A 87 -4.076 -14.404 3.860 1.00 0.00 C ATOM 1375 C PHE A 87 -5.550 -14.528 4.259 1.00 0.00 C ATOM 1376 O PHE A 87 -5.872 -14.694 5.419 1.00 0.00 O ATOM 1377 CB PHE A 87 -3.593 -12.967 4.079 1.00 0.00 C ATOM 1378 CG PHE A 87 -4.400 -12.013 3.231 1.00 0.00 C ATOM 1379 CD1 PHE A 87 -5.644 -11.555 3.682 1.00 0.00 C ATOM 1380 CD2 PHE A 87 -3.900 -11.577 1.998 1.00 0.00 C ATOM 1381 CE1 PHE A 87 -6.387 -10.662 2.901 1.00 0.00 C ATOM 1382 CE2 PHE A 87 -4.643 -10.685 1.216 1.00 0.00 C ATOM 1383 CZ PHE A 87 -5.886 -10.227 1.668 1.00 0.00 C ATOM 0 H PHE A 87 -3.535 -14.045 1.828 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.486 -15.077 4.481 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -3.688 -12.700 5.131 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -2.536 -12.888 3.824 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.030 -11.891 4.633 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -2.940 -11.929 1.650 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -7.346 -10.309 3.249 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -4.257 -10.350 0.264 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.459 -9.538 1.065 1.00 0.00 H new ATOM 1393 N PHE A 88 -6.450 -14.456 3.316 1.00 0.00 N ATOM 1394 CA PHE A 88 -7.896 -14.579 3.663 1.00 0.00 C ATOM 1395 C PHE A 88 -8.107 -15.833 4.515 1.00 0.00 C ATOM 1396 O PHE A 88 -8.862 -15.828 5.467 1.00 0.00 O ATOM 1397 CB PHE A 88 -8.730 -14.686 2.385 1.00 0.00 C ATOM 1398 CG PHE A 88 -8.442 -13.502 1.488 1.00 0.00 C ATOM 1399 CD1 PHE A 88 -8.813 -12.214 1.893 1.00 0.00 C ATOM 1400 CD2 PHE A 88 -7.809 -13.692 0.253 1.00 0.00 C ATOM 1401 CE1 PHE A 88 -8.552 -11.116 1.062 1.00 0.00 C ATOM 1402 CE2 PHE A 88 -7.547 -12.594 -0.577 1.00 0.00 C ATOM 1403 CZ PHE A 88 -7.919 -11.307 -0.172 1.00 0.00 C ATOM 0 H PHE A 88 -6.249 -14.318 2.326 1.00 0.00 H new ATOM 0 HA PHE A 88 -8.209 -13.697 4.222 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -8.497 -15.615 1.864 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -9.791 -14.717 2.633 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -9.300 -12.067 2.846 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -7.523 -14.685 -0.060 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -8.839 -10.123 1.374 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -7.058 -12.741 -1.529 1.00 0.00 H new ATOM 0 HZ PHE A 88 -7.718 -10.461 -0.812 1.00 0.00 H new ATOM 1413 N GLU A 89 -7.445 -16.908 4.177 1.00 0.00 N ATOM 1414 CA GLU A 89 -7.598 -18.173 4.959 1.00 0.00 C ATOM 1415 C GLU A 89 -6.413 -18.331 5.914 1.00 0.00 C ATOM 1416 O GLU A 89 -5.703 -19.317 5.879 1.00 0.00 O ATOM 1417 CB GLU A 89 -7.636 -19.364 3.997 1.00 0.00 C ATOM 1418 CG GLU A 89 -8.954 -19.350 3.221 1.00 0.00 C ATOM 1419 CD GLU A 89 -8.981 -18.143 2.280 1.00 0.00 C ATOM 1420 OE1 GLU A 89 -8.018 -17.964 1.552 1.00 0.00 O ATOM 1421 OE2 GLU A 89 -9.963 -17.420 2.304 1.00 0.00 O ATOM 0 H GLU A 89 -6.801 -16.966 3.388 1.00 0.00 H new ATOM 0 HA GLU A 89 -8.524 -18.135 5.532 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -6.794 -19.314 3.306 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.538 -20.297 4.552 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.062 -20.272 2.650 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.795 -19.304 3.913 1.00 0.00 H new ATOM 1428 N HIS A 90 -6.197 -17.372 6.772 1.00 0.00 N ATOM 1429 CA HIS A 90 -5.061 -17.477 7.732 1.00 0.00 C ATOM 1430 C HIS A 90 -5.248 -18.722 8.601 1.00 0.00 C ATOM 1431 O HIS A 90 -5.856 -18.672 9.652 1.00 0.00 O ATOM 1432 CB HIS A 90 -5.028 -16.233 8.624 1.00 0.00 C ATOM 1433 CG HIS A 90 -3.831 -16.293 9.536 1.00 0.00 C ATOM 1434 ND1 HIS A 90 -3.217 -17.489 9.879 1.00 0.00 N ATOM 1435 CD2 HIS A 90 -3.123 -15.311 10.184 1.00 0.00 C ATOM 1436 CE1 HIS A 90 -2.190 -17.197 10.698 1.00 0.00 C ATOM 1437 NE2 HIS A 90 -2.088 -15.884 10.917 1.00 0.00 N ATOM 0 H HIS A 90 -6.756 -16.522 6.850 1.00 0.00 H new ATOM 0 HA HIS A 90 -4.123 -17.552 7.181 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -4.984 -15.334 8.009 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -5.943 -16.172 9.213 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -3.337 -14.254 10.133 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -1.528 -17.935 11.126 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -1.400 -15.404 11.497 1.00 0.00 H new ATOM 1445 N GLU A 91 -4.727 -19.840 8.173 1.00 0.00 N ATOM 1446 CA GLU A 91 -4.873 -21.087 8.975 1.00 0.00 C ATOM 1447 C GLU A 91 -3.798 -22.092 8.555 1.00 0.00 C ATOM 1448 O GLU A 91 -3.436 -22.089 7.390 1.00 0.00 O ATOM 1449 CB GLU A 91 -6.257 -21.692 8.732 1.00 0.00 C ATOM 1450 CG GLU A 91 -6.459 -22.894 9.658 1.00 0.00 C ATOM 1451 CD GLU A 91 -7.854 -23.482 9.435 1.00 0.00 C ATOM 1452 OE1 GLU A 91 -8.645 -22.840 8.764 1.00 0.00 O ATOM 1453 OE2 GLU A 91 -8.107 -24.563 9.941 1.00 0.00 O ATOM 1454 OXT GLU A 91 -3.357 -22.847 9.405 1.00 0.00 O ATOM 0 H GLU A 91 -4.206 -19.943 7.302 1.00 0.00 H new ATOM 0 HA GLU A 91 -4.759 -20.853 10.033 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -7.029 -20.945 8.915 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.353 -22.001 7.691 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -5.699 -23.650 9.461 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.343 -22.589 10.698 1.00 0.00 H new TER 1461 GLU A 91 ATOM 1462 N MET B 0 8.915 -7.654 15.575 1.00 0.00 N ATOM 1463 CA MET B 0 7.523 -7.125 15.616 1.00 0.00 C ATOM 1464 C MET B 0 7.561 -5.597 15.683 1.00 0.00 C ATOM 1465 O MET B 0 6.977 -4.992 16.561 1.00 0.00 O ATOM 1466 CB MET B 0 6.806 -7.672 16.852 1.00 0.00 C ATOM 1467 CG MET B 0 6.529 -9.164 16.663 1.00 0.00 C ATOM 1468 SD MET B 0 8.096 -10.069 16.617 1.00 0.00 S ATOM 1469 CE MET B 0 7.480 -11.627 17.299 1.00 0.00 C ATOM 0 H1 MET B 0 8.923 -8.637 15.915 1.00 0.00 H new ATOM 0 H2 MET B 0 9.270 -7.623 14.598 1.00 0.00 H new ATOM 0 H3 MET B 0 9.526 -7.072 16.184 1.00 0.00 H new ATOM 0 HA MET B 0 6.989 -7.437 14.719 1.00 0.00 H new ATOM 0 HB2 MET B 0 7.418 -7.515 17.740 1.00 0.00 H new ATOM 0 HB3 MET B 0 5.871 -7.135 17.010 1.00 0.00 H new ATOM 0 HG2 MET B 0 5.907 -9.535 17.477 1.00 0.00 H new ATOM 0 HG3 MET B 0 5.975 -9.328 15.738 1.00 0.00 H new ATOM 0 HE1 MET B 0 8.297 -12.346 17.361 1.00 0.00 H new ATOM 0 HE2 MET B 0 7.074 -11.453 18.296 1.00 0.00 H new ATOM 0 HE3 MET B 0 6.697 -12.023 16.652 1.00 0.00 H new ATOM 1481 N SER B 1 8.241 -4.966 14.765 1.00 0.00 N ATOM 1482 CA SER B 1 8.310 -3.477 14.785 1.00 0.00 C ATOM 1483 C SER B 1 6.899 -2.905 14.636 1.00 0.00 C ATOM 1484 O SER B 1 5.971 -3.604 14.280 1.00 0.00 O ATOM 1485 CB SER B 1 9.186 -2.988 13.631 1.00 0.00 C ATOM 1486 OG SER B 1 8.554 -3.300 12.397 1.00 0.00 O ATOM 0 H SER B 1 8.750 -5.415 14.004 1.00 0.00 H new ATOM 0 HA SER B 1 8.742 -3.144 15.729 1.00 0.00 H new ATOM 0 HB2 SER B 1 9.344 -1.912 13.710 1.00 0.00 H new ATOM 0 HB3 SER B 1 10.168 -3.459 13.679 1.00 0.00 H new ATOM 0 HG SER B 1 9.112 -2.986 11.655 1.00 0.00 H new ATOM 1492 N GLU B 2 6.726 -1.641 14.909 1.00 0.00 N ATOM 1493 CA GLU B 2 5.371 -1.036 14.785 1.00 0.00 C ATOM 1494 C GLU B 2 4.850 -1.235 13.360 1.00 0.00 C ATOM 1495 O GLU B 2 3.672 -1.431 13.140 1.00 0.00 O ATOM 1496 CB GLU B 2 5.451 0.461 15.095 1.00 0.00 C ATOM 1497 CG GLU B 2 4.046 1.067 15.063 1.00 0.00 C ATOM 1498 CD GLU B 2 4.110 2.529 15.509 1.00 0.00 C ATOM 1499 OE1 GLU B 2 4.865 3.278 14.912 1.00 0.00 O ATOM 1500 OE2 GLU B 2 3.402 2.874 16.441 1.00 0.00 O ATOM 0 H GLU B 2 7.462 -1.003 15.212 1.00 0.00 H new ATOM 0 HA GLU B 2 4.693 -1.518 15.489 1.00 0.00 H new ATOM 0 HB2 GLU B 2 5.903 0.616 16.075 1.00 0.00 H new ATOM 0 HB3 GLU B 2 6.090 0.960 14.367 1.00 0.00 H new ATOM 0 HG2 GLU B 2 3.633 1.001 14.057 1.00 0.00 H new ATOM 0 HG3 GLU B 2 3.381 0.505 15.718 1.00 0.00 H new ATOM 1507 N LEU B 3 5.722 -1.177 12.389 1.00 0.00 N ATOM 1508 CA LEU B 3 5.278 -1.353 10.978 1.00 0.00 C ATOM 1509 C LEU B 3 4.621 -2.723 10.811 1.00 0.00 C ATOM 1510 O LEU B 3 3.503 -2.832 10.350 1.00 0.00 O ATOM 1511 CB LEU B 3 6.495 -1.249 10.048 1.00 0.00 C ATOM 1512 CG LEU B 3 6.110 -1.632 8.611 1.00 0.00 C ATOM 1513 CD1 LEU B 3 4.881 -0.832 8.162 1.00 0.00 C ATOM 1514 CD2 LEU B 3 7.288 -1.322 7.686 1.00 0.00 C ATOM 0 H LEU B 3 6.721 -1.015 12.513 1.00 0.00 H new ATOM 0 HA LEU B 3 4.556 -0.577 10.724 1.00 0.00 H new ATOM 0 HB2 LEU B 3 6.888 -0.233 10.067 1.00 0.00 H new ATOM 0 HB3 LEU B 3 7.289 -1.905 10.405 1.00 0.00 H new ATOM 0 HG LEU B 3 5.871 -2.695 8.570 1.00 0.00 H new ATOM 0 HD11 LEU B 3 4.617 -1.112 7.142 1.00 0.00 H new ATOM 0 HD12 LEU B 3 4.044 -1.048 8.826 1.00 0.00 H new ATOM 0 HD13 LEU B 3 5.107 0.234 8.199 1.00 0.00 H new ATOM 0 HD21 LEU B 3 7.027 -1.590 6.662 1.00 0.00 H new ATOM 0 HD22 LEU B 3 7.519 -0.258 7.735 1.00 0.00 H new ATOM 0 HD23 LEU B 3 8.159 -1.897 8.001 1.00 0.00 H new ATOM 1526 N GLU B 4 5.306 -3.772 11.179 1.00 0.00 N ATOM 1527 CA GLU B 4 4.714 -5.130 11.033 1.00 0.00 C ATOM 1528 C GLU B 4 3.367 -5.173 11.754 1.00 0.00 C ATOM 1529 O GLU B 4 2.375 -5.625 11.223 1.00 0.00 O ATOM 1530 CB GLU B 4 5.659 -6.169 11.641 1.00 0.00 C ATOM 1531 CG GLU B 4 6.888 -6.327 10.743 1.00 0.00 C ATOM 1532 CD GLU B 4 7.796 -7.419 11.310 1.00 0.00 C ATOM 1533 OE1 GLU B 4 7.845 -7.551 12.522 1.00 0.00 O ATOM 1534 OE2 GLU B 4 8.427 -8.106 10.523 1.00 0.00 O ATOM 0 H GLU B 4 6.247 -3.746 11.573 1.00 0.00 H new ATOM 0 HA GLU B 4 4.568 -5.354 9.976 1.00 0.00 H new ATOM 0 HB2 GLU B 4 5.963 -5.859 12.641 1.00 0.00 H new ATOM 0 HB3 GLU B 4 5.147 -7.125 11.746 1.00 0.00 H new ATOM 0 HG2 GLU B 4 6.581 -6.585 9.730 1.00 0.00 H new ATOM 0 HG3 GLU B 4 7.430 -5.384 10.681 1.00 0.00 H new ATOM 1541 N LYS B 5 3.335 -4.685 12.963 1.00 0.00 N ATOM 1542 CA LYS B 5 2.067 -4.671 13.743 1.00 0.00 C ATOM 1543 C LYS B 5 0.938 -4.103 12.882 1.00 0.00 C ATOM 1544 O LYS B 5 -0.169 -4.604 12.866 1.00 0.00 O ATOM 1545 CB LYS B 5 2.254 -3.766 14.963 1.00 0.00 C ATOM 1546 CG LYS B 5 1.073 -3.944 15.922 1.00 0.00 C ATOM 1547 CD LYS B 5 1.366 -3.213 17.232 1.00 0.00 C ATOM 1548 CE LYS B 5 0.215 -3.443 18.212 1.00 0.00 C ATOM 1549 NZ LYS B 5 0.179 -4.879 18.609 1.00 0.00 N ATOM 0 H LYS B 5 4.141 -4.292 13.448 1.00 0.00 H new ATOM 0 HA LYS B 5 1.816 -5.686 14.052 1.00 0.00 H new ATOM 0 HB2 LYS B 5 3.187 -4.011 15.470 1.00 0.00 H new ATOM 0 HB3 LYS B 5 2.326 -2.725 14.648 1.00 0.00 H new ATOM 0 HG2 LYS B 5 0.162 -3.552 15.470 1.00 0.00 H new ATOM 0 HG3 LYS B 5 0.903 -5.003 16.114 1.00 0.00 H new ATOM 0 HD2 LYS B 5 2.301 -3.574 17.661 1.00 0.00 H new ATOM 0 HD3 LYS B 5 1.492 -2.146 17.046 1.00 0.00 H new ATOM 0 HE2 LYS B 5 0.343 -2.814 19.093 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -0.731 -3.158 17.752 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -0.352 -4.980 19.498 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -0.286 -5.434 17.863 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 1.150 -5.226 18.744 1.00 0.00 H new ATOM 1563 N ALA B 6 1.224 -3.043 12.176 1.00 0.00 N ATOM 1564 CA ALA B 6 0.199 -2.394 11.311 1.00 0.00 C ATOM 1565 C ALA B 6 0.032 -3.165 9.992 1.00 0.00 C ATOM 1566 O ALA B 6 -1.030 -3.160 9.404 1.00 0.00 O ATOM 1567 CB ALA B 6 0.631 -0.946 11.032 1.00 0.00 C ATOM 0 H ALA B 6 2.139 -2.593 12.162 1.00 0.00 H new ATOM 0 HA ALA B 6 -0.763 -2.400 11.824 1.00 0.00 H new ATOM 0 HB1 ALA B 6 -0.112 -0.460 10.399 1.00 0.00 H new ATOM 0 HB2 ALA B 6 0.716 -0.404 11.974 1.00 0.00 H new ATOM 0 HB3 ALA B 6 1.596 -0.945 10.525 1.00 0.00 H new ATOM 1573 N MET B 7 1.048 -3.828 9.518 1.00 0.00 N ATOM 1574 CA MET B 7 0.885 -4.579 8.240 1.00 0.00 C ATOM 1575 C MET B 7 -0.245 -5.603 8.423 1.00 0.00 C ATOM 1576 O MET B 7 -1.079 -5.788 7.560 1.00 0.00 O ATOM 1577 CB MET B 7 2.206 -5.290 7.884 1.00 0.00 C ATOM 1578 CG MET B 7 2.362 -5.392 6.360 1.00 0.00 C ATOM 1579 SD MET B 7 0.799 -5.929 5.619 1.00 0.00 S ATOM 1580 CE MET B 7 0.966 -5.034 4.054 1.00 0.00 C ATOM 0 H MET B 7 1.970 -3.884 9.950 1.00 0.00 H new ATOM 0 HA MET B 7 0.634 -3.898 7.427 1.00 0.00 H new ATOM 0 HB2 MET B 7 3.048 -4.741 8.307 1.00 0.00 H new ATOM 0 HB3 MET B 7 2.221 -6.286 8.326 1.00 0.00 H new ATOM 0 HG2 MET B 7 2.657 -4.426 5.950 1.00 0.00 H new ATOM 0 HG3 MET B 7 3.154 -6.099 6.113 1.00 0.00 H new ATOM 0 HE1 MET B 7 0.093 -5.227 3.430 1.00 0.00 H new ATOM 0 HE2 MET B 7 1.041 -3.965 4.253 1.00 0.00 H new ATOM 0 HE3 MET B 7 1.864 -5.371 3.536 1.00 0.00 H new ATOM 1590 N VAL B 8 -0.278 -6.255 9.553 1.00 0.00 N ATOM 1591 CA VAL B 8 -1.349 -7.257 9.821 1.00 0.00 C ATOM 1592 C VAL B 8 -2.695 -6.542 9.994 1.00 0.00 C ATOM 1593 O VAL B 8 -3.734 -7.060 9.635 1.00 0.00 O ATOM 1594 CB VAL B 8 -1.009 -8.020 11.106 1.00 0.00 C ATOM 1595 CG1 VAL B 8 -1.875 -9.278 11.201 1.00 0.00 C ATOM 1596 CG2 VAL B 8 0.466 -8.430 11.076 1.00 0.00 C ATOM 0 H VAL B 8 0.397 -6.135 10.308 1.00 0.00 H new ATOM 0 HA VAL B 8 -1.417 -7.952 8.984 1.00 0.00 H new ATOM 0 HB VAL B 8 -1.199 -7.379 11.967 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -1.632 -9.819 12.115 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -2.927 -8.995 11.216 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -1.684 -9.917 10.339 1.00 0.00 H new ATOM 0 HG21 VAL B 8 0.711 -8.973 11.989 1.00 0.00 H new ATOM 0 HG22 VAL B 8 0.648 -9.070 10.213 1.00 0.00 H new ATOM 0 HG23 VAL B 8 1.090 -7.539 11.005 1.00 0.00 H new ATOM 1606 N ALA B 9 -2.683 -5.355 10.541 1.00 0.00 N ATOM 1607 CA ALA B 9 -3.956 -4.600 10.741 1.00 0.00 C ATOM 1608 C ALA B 9 -4.626 -4.326 9.390 1.00 0.00 C ATOM 1609 O ALA B 9 -5.797 -4.585 9.197 1.00 0.00 O ATOM 1610 CB ALA B 9 -3.629 -3.259 11.401 1.00 0.00 C ATOM 0 H ALA B 9 -1.842 -4.873 10.860 1.00 0.00 H new ATOM 0 HA ALA B 9 -4.629 -5.188 11.366 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -4.549 -2.695 11.554 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -3.147 -3.435 12.363 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -2.958 -2.691 10.757 1.00 0.00 H new ATOM 1616 N LEU B 10 -3.885 -3.784 8.464 1.00 0.00 N ATOM 1617 CA LEU B 10 -4.453 -3.459 7.125 1.00 0.00 C ATOM 1618 C LEU B 10 -5.127 -4.693 6.533 1.00 0.00 C ATOM 1619 O LEU B 10 -6.293 -4.688 6.191 1.00 0.00 O ATOM 1620 CB LEU B 10 -3.285 -3.039 6.196 1.00 0.00 C ATOM 1621 CG LEU B 10 -3.067 -1.518 6.241 1.00 0.00 C ATOM 1622 CD1 LEU B 10 -2.560 -1.106 7.623 1.00 0.00 C ATOM 1623 CD2 LEU B 10 -2.030 -1.126 5.186 1.00 0.00 C ATOM 0 H LEU B 10 -2.899 -3.550 8.579 1.00 0.00 H new ATOM 0 HA LEU B 10 -5.187 -2.658 7.219 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -2.372 -3.550 6.500 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -3.499 -3.350 5.173 1.00 0.00 H new ATOM 0 HG LEU B 10 -4.012 -1.013 6.039 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -2.408 -0.027 7.648 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -3.294 -1.386 8.378 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -1.616 -1.611 7.830 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -1.872 -0.048 5.214 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -1.089 -1.636 5.393 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -2.389 -1.414 4.198 1.00 0.00 H new ATOM 1635 N ILE B 11 -4.372 -5.741 6.395 1.00 0.00 N ATOM 1636 CA ILE B 11 -4.914 -6.990 5.805 1.00 0.00 C ATOM 1637 C ILE B 11 -6.110 -7.477 6.617 1.00 0.00 C ATOM 1638 O ILE B 11 -7.072 -7.982 6.073 1.00 0.00 O ATOM 1639 CB ILE B 11 -3.825 -8.066 5.816 1.00 0.00 C ATOM 1640 CG1 ILE B 11 -2.581 -7.547 5.087 1.00 0.00 C ATOM 1641 CG2 ILE B 11 -4.342 -9.320 5.107 1.00 0.00 C ATOM 1642 CD1 ILE B 11 -1.401 -8.482 5.360 1.00 0.00 C ATOM 0 H ILE B 11 -3.391 -5.786 6.669 1.00 0.00 H new ATOM 0 HA ILE B 11 -5.233 -6.793 4.782 1.00 0.00 H new ATOM 0 HB ILE B 11 -3.566 -8.308 6.847 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -2.772 -7.489 4.015 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -2.344 -6.538 5.423 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -3.568 -10.087 5.114 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -5.226 -9.692 5.624 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -4.601 -9.075 4.077 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -0.516 -8.112 4.841 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -1.205 -8.517 6.432 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -1.640 -9.483 5.002 1.00 0.00 H new ATOM 1654 N ASP B 12 -6.053 -7.367 7.916 1.00 0.00 N ATOM 1655 CA ASP B 12 -7.186 -7.870 8.738 1.00 0.00 C ATOM 1656 C ASP B 12 -8.428 -6.992 8.546 1.00 0.00 C ATOM 1657 O ASP B 12 -9.537 -7.488 8.543 1.00 0.00 O ATOM 1658 CB ASP B 12 -6.789 -7.899 10.216 1.00 0.00 C ATOM 1659 CG ASP B 12 -5.655 -8.905 10.426 1.00 0.00 C ATOM 1660 OD1 ASP B 12 -5.195 -9.463 9.443 1.00 0.00 O ATOM 1661 OD2 ASP B 12 -5.266 -9.099 11.566 1.00 0.00 O ATOM 0 H ASP B 12 -5.279 -6.955 8.438 1.00 0.00 H new ATOM 0 HA ASP B 12 -7.425 -8.882 8.412 1.00 0.00 H new ATOM 0 HB2 ASP B 12 -6.472 -6.907 10.537 1.00 0.00 H new ATOM 0 HB3 ASP B 12 -7.649 -8.172 10.828 1.00 0.00 H new ATOM 1666 N VAL B 13 -8.279 -5.697 8.393 1.00 0.00 N ATOM 1667 CA VAL B 13 -9.500 -4.854 8.215 1.00 0.00 C ATOM 1668 C VAL B 13 -10.100 -5.112 6.831 1.00 0.00 C ATOM 1669 O VAL B 13 -11.304 -5.124 6.669 1.00 0.00 O ATOM 1670 CB VAL B 13 -9.166 -3.372 8.397 1.00 0.00 C ATOM 1671 CG1 VAL B 13 -10.393 -2.524 8.057 1.00 0.00 C ATOM 1672 CG2 VAL B 13 -8.759 -3.119 9.851 1.00 0.00 C ATOM 0 H VAL B 13 -7.389 -5.199 8.384 1.00 0.00 H new ATOM 0 HA VAL B 13 -10.234 -5.123 8.975 1.00 0.00 H new ATOM 0 HB VAL B 13 -8.344 -3.101 7.734 1.00 0.00 H new ATOM 0 HG11 VAL B 13 -10.153 -1.469 8.187 1.00 0.00 H new ATOM 0 HG12 VAL B 13 -10.685 -2.705 7.023 1.00 0.00 H new ATOM 0 HG13 VAL B 13 -11.216 -2.793 8.719 1.00 0.00 H new ATOM 0 HG21 VAL B 13 -8.520 -2.064 9.984 1.00 0.00 H new ATOM 0 HG22 VAL B 13 -9.582 -3.391 10.512 1.00 0.00 H new ATOM 0 HG23 VAL B 13 -7.884 -3.722 10.094 1.00 0.00 H new ATOM 1682 N PHE B 14 -9.293 -5.351 5.838 1.00 0.00 N ATOM 1683 CA PHE B 14 -9.866 -5.642 4.495 1.00 0.00 C ATOM 1684 C PHE B 14 -10.740 -6.891 4.611 1.00 0.00 C ATOM 1685 O PHE B 14 -11.748 -7.026 3.945 1.00 0.00 O ATOM 1686 CB PHE B 14 -8.746 -5.901 3.486 1.00 0.00 C ATOM 1687 CG PHE B 14 -9.351 -6.245 2.144 1.00 0.00 C ATOM 1688 CD1 PHE B 14 -9.798 -7.548 1.888 1.00 0.00 C ATOM 1689 CD2 PHE B 14 -9.466 -5.260 1.155 1.00 0.00 C ATOM 1690 CE1 PHE B 14 -10.359 -7.865 0.643 1.00 0.00 C ATOM 1691 CE2 PHE B 14 -10.027 -5.577 -0.088 1.00 0.00 C ATOM 1692 CZ PHE B 14 -10.473 -6.879 -0.344 1.00 0.00 C ATOM 0 H PHE B 14 -8.275 -5.358 5.895 1.00 0.00 H new ATOM 0 HA PHE B 14 -10.453 -4.790 4.152 1.00 0.00 H new ATOM 0 HB2 PHE B 14 -8.111 -5.020 3.396 1.00 0.00 H new ATOM 0 HB3 PHE B 14 -8.111 -6.717 3.831 1.00 0.00 H new ATOM 0 HD1 PHE B 14 -9.710 -8.308 2.650 1.00 0.00 H new ATOM 0 HD2 PHE B 14 -9.122 -4.255 1.351 1.00 0.00 H new ATOM 0 HE1 PHE B 14 -10.703 -8.869 0.445 1.00 0.00 H new ATOM 0 HE2 PHE B 14 -10.116 -4.817 -0.850 1.00 0.00 H new ATOM 0 HZ PHE B 14 -10.905 -7.123 -1.303 1.00 0.00 H new ATOM 1702 N HIS B 15 -10.357 -7.805 5.461 1.00 0.00 N ATOM 1703 CA HIS B 15 -11.158 -9.048 5.635 1.00 0.00 C ATOM 1704 C HIS B 15 -12.426 -8.737 6.435 1.00 0.00 C ATOM 1705 O HIS B 15 -13.448 -9.373 6.275 1.00 0.00 O ATOM 1706 CB HIS B 15 -10.327 -10.091 6.384 1.00 0.00 C ATOM 1707 CG HIS B 15 -11.071 -11.398 6.414 1.00 0.00 C ATOM 1708 ND1 HIS B 15 -11.523 -11.964 7.595 1.00 0.00 N ATOM 1709 CD2 HIS B 15 -11.450 -12.260 5.415 1.00 0.00 C ATOM 1710 CE1 HIS B 15 -12.142 -13.117 7.280 1.00 0.00 C ATOM 1711 NE2 HIS B 15 -12.126 -13.346 5.965 1.00 0.00 N ATOM 0 H HIS B 15 -9.522 -7.743 6.043 1.00 0.00 H new ATOM 0 HA HIS B 15 -11.435 -9.438 4.655 1.00 0.00 H new ATOM 0 HB2 HIS B 15 -9.361 -10.221 5.896 1.00 0.00 H new ATOM 0 HB3 HIS B 15 -10.127 -9.751 7.400 1.00 0.00 H new ATOM 0 HD2 HIS B 15 -11.254 -12.117 4.363 1.00 0.00 H new ATOM 0 HE1 HIS B 15 -12.597 -13.777 8.004 1.00 0.00 H new ATOM 0 HE2 HIS B 15 -12.523 -14.144 5.470 1.00 0.00 H new ATOM 1719 N GLN B 16 -12.353 -7.768 7.311 1.00 0.00 N ATOM 1720 CA GLN B 16 -13.538 -7.415 8.146 1.00 0.00 C ATOM 1721 C GLN B 16 -14.740 -7.120 7.247 1.00 0.00 C ATOM 1722 O GLN B 16 -15.837 -7.579 7.497 1.00 0.00 O ATOM 1723 CB GLN B 16 -13.211 -6.183 8.997 1.00 0.00 C ATOM 1724 CG GLN B 16 -14.307 -5.962 10.045 1.00 0.00 C ATOM 1725 CD GLN B 16 -15.547 -5.365 9.377 1.00 0.00 C ATOM 1726 OE1 GLN B 16 -16.623 -5.922 9.458 1.00 0.00 O ATOM 1727 NE2 GLN B 16 -15.440 -4.245 8.715 1.00 0.00 N ATOM 0 H GLN B 16 -11.520 -7.205 7.484 1.00 0.00 H new ATOM 0 HA GLN B 16 -13.783 -8.253 8.799 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -12.248 -6.316 9.489 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -13.124 -5.303 8.359 1.00 0.00 H new ATOM 0 HG2 GLN B 16 -14.560 -6.907 10.525 1.00 0.00 H new ATOM 0 HG3 GLN B 16 -13.946 -5.294 10.827 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -14.536 -3.777 8.647 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -16.260 -3.838 8.266 1.00 0.00 H new ATOM 1736 N TYR B 17 -14.551 -6.359 6.204 1.00 0.00 N ATOM 1737 CA TYR B 17 -15.692 -6.042 5.300 1.00 0.00 C ATOM 1738 C TYR B 17 -16.084 -7.300 4.522 1.00 0.00 C ATOM 1739 O TYR B 17 -17.249 -7.599 4.352 1.00 0.00 O ATOM 1740 CB TYR B 17 -15.270 -4.942 4.314 1.00 0.00 C ATOM 1741 CG TYR B 17 -15.319 -3.591 4.998 1.00 0.00 C ATOM 1742 CD1 TYR B 17 -14.470 -3.325 6.079 1.00 0.00 C ATOM 1743 CD2 TYR B 17 -16.210 -2.606 4.550 1.00 0.00 C ATOM 1744 CE1 TYR B 17 -14.511 -2.076 6.711 1.00 0.00 C ATOM 1745 CE2 TYR B 17 -16.251 -1.358 5.183 1.00 0.00 C ATOM 1746 CZ TYR B 17 -15.402 -1.093 6.264 1.00 0.00 C ATOM 1747 OH TYR B 17 -15.443 0.137 6.887 1.00 0.00 O ATOM 0 H TYR B 17 -13.658 -5.944 5.939 1.00 0.00 H new ATOM 0 HA TYR B 17 -16.542 -5.697 5.889 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -14.262 -5.137 3.947 1.00 0.00 H new ATOM 0 HB3 TYR B 17 -15.931 -4.945 3.447 1.00 0.00 H new ATOM 0 HD1 TYR B 17 -13.783 -4.083 6.426 1.00 0.00 H new ATOM 0 HD2 TYR B 17 -16.865 -2.810 3.716 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -13.855 -1.871 7.544 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -16.938 -0.600 4.837 1.00 0.00 H new ATOM 0 HH TYR B 17 -16.115 0.702 6.452 1.00 0.00 H new ATOM 1757 N SER B 18 -15.117 -8.033 4.038 1.00 0.00 N ATOM 1758 CA SER B 18 -15.423 -9.268 3.255 1.00 0.00 C ATOM 1759 C SER B 18 -15.341 -10.504 4.157 1.00 0.00 C ATOM 1760 O SER B 18 -14.558 -11.400 3.909 1.00 0.00 O ATOM 1761 CB SER B 18 -14.406 -9.410 2.122 1.00 0.00 C ATOM 1762 OG SER B 18 -13.102 -9.543 2.675 1.00 0.00 O ATOM 0 H SER B 18 -14.124 -7.829 4.151 1.00 0.00 H new ATOM 0 HA SER B 18 -16.431 -9.188 2.849 1.00 0.00 H new ATOM 0 HB2 SER B 18 -14.645 -10.280 1.510 1.00 0.00 H new ATOM 0 HB3 SER B 18 -14.449 -8.539 1.468 1.00 0.00 H new ATOM 0 HG SER B 18 -13.054 -10.366 3.206 1.00 0.00 H new ATOM 1768 N GLY B 19 -16.158 -10.580 5.185 1.00 0.00 N ATOM 1769 CA GLY B 19 -16.152 -11.778 6.089 1.00 0.00 C ATOM 1770 C GLY B 19 -17.523 -12.449 5.985 1.00 0.00 C ATOM 1771 O GLY B 19 -17.733 -13.545 6.465 1.00 0.00 O ATOM 0 H GLY B 19 -16.833 -9.858 5.437 1.00 0.00 H new ATOM 0 HA2 GLY B 19 -15.364 -12.472 5.798 1.00 0.00 H new ATOM 0 HA3 GLY B 19 -15.950 -11.479 7.118 1.00 0.00 H new ATOM 1775 N ARG B 20 -18.448 -11.803 5.329 1.00 0.00 N ATOM 1776 CA ARG B 20 -19.805 -12.391 5.143 1.00 0.00 C ATOM 1777 C ARG B 20 -19.703 -13.627 4.250 1.00 0.00 C ATOM 1778 O ARG B 20 -20.452 -14.569 4.419 1.00 0.00 O ATOM 1779 CB ARG B 20 -20.726 -11.360 4.486 1.00 0.00 C ATOM 1780 CG ARG B 20 -20.137 -10.933 3.140 1.00 0.00 C ATOM 1781 CD ARG B 20 -20.926 -9.743 2.588 1.00 0.00 C ATOM 1782 NE ARG B 20 -22.287 -10.194 2.183 1.00 0.00 N ATOM 1783 CZ ARG B 20 -23.036 -9.424 1.442 1.00 0.00 C ATOM 1784 NH1 ARG B 20 -22.493 -8.674 0.523 1.00 0.00 N ATOM 1785 NH2 ARG B 20 -24.328 -9.403 1.620 1.00 0.00 N ATOM 0 H ARG B 20 -18.320 -10.882 4.909 1.00 0.00 H new ATOM 0 HA ARG B 20 -20.215 -12.674 6.113 1.00 0.00 H new ATOM 0 HB2 ARG B 20 -21.720 -11.784 4.342 1.00 0.00 H new ATOM 0 HB3 ARG B 20 -20.841 -10.493 5.136 1.00 0.00 H new ATOM 0 HG2 ARG B 20 -19.088 -10.662 3.260 1.00 0.00 H new ATOM 0 HG3 ARG B 20 -20.173 -11.764 2.436 1.00 0.00 H new ATOM 0 HD2 ARG B 20 -21.000 -8.961 3.343 1.00 0.00 H new ATOM 0 HD3 ARG B 20 -20.405 -9.312 1.733 1.00 0.00 H new ATOM 0 HE ARG B 20 -22.633 -11.105 2.485 1.00 0.00 H new ATOM 0 HH11 ARG B 20 -21.483 -8.689 0.383 1.00 0.00 H new ATOM 0 HH12 ARG B 20 -23.079 -8.072 -0.056 1.00 0.00 H new ATOM 0 HH21 ARG B 20 -24.753 -9.989 2.339 1.00 0.00 H new ATOM 0 HH22 ARG B 20 -24.913 -8.801 1.041 1.00 0.00 H new ATOM 1799 N GLU B 21 -18.786 -13.666 3.319 1.00 0.00 N ATOM 1800 CA GLU B 21 -18.670 -14.890 2.464 1.00 0.00 C ATOM 1801 C GLU B 21 -17.216 -15.098 2.038 1.00 0.00 C ATOM 1802 O GLU B 21 -16.701 -16.197 2.090 1.00 0.00 O ATOM 1803 CB GLU B 21 -19.547 -14.733 1.219 1.00 0.00 C ATOM 1804 CG GLU B 21 -21.022 -14.836 1.610 1.00 0.00 C ATOM 1805 CD GLU B 21 -21.884 -14.862 0.346 1.00 0.00 C ATOM 1806 OE1 GLU B 21 -21.316 -14.876 -0.733 1.00 0.00 O ATOM 1807 OE2 GLU B 21 -23.096 -14.866 0.479 1.00 0.00 O ATOM 0 H GLU B 21 -18.122 -12.919 3.114 1.00 0.00 H new ATOM 0 HA GLU B 21 -19.001 -15.755 3.039 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -19.353 -13.771 0.745 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -19.300 -15.504 0.489 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -21.191 -15.739 2.197 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -21.303 -13.990 2.237 1.00 0.00 H new ATOM 1814 N GLY B 22 -16.547 -14.062 1.612 1.00 0.00 N ATOM 1815 CA GLY B 22 -15.128 -14.224 1.181 1.00 0.00 C ATOM 1816 C GLY B 22 -15.027 -15.404 0.212 1.00 0.00 C ATOM 1817 O GLY B 22 -13.949 -15.869 -0.101 1.00 0.00 O ATOM 0 H GLY B 22 -16.918 -13.114 1.544 1.00 0.00 H new ATOM 0 HA2 GLY B 22 -14.775 -13.312 0.700 1.00 0.00 H new ATOM 0 HA3 GLY B 22 -14.489 -14.394 2.048 1.00 0.00 H new ATOM 1821 N ASP B 23 -16.141 -15.895 -0.266 1.00 0.00 N ATOM 1822 CA ASP B 23 -16.101 -17.045 -1.215 1.00 0.00 C ATOM 1823 C ASP B 23 -15.064 -16.747 -2.300 1.00 0.00 C ATOM 1824 O ASP B 23 -14.094 -17.462 -2.459 1.00 0.00 O ATOM 1825 CB ASP B 23 -17.479 -17.223 -1.858 1.00 0.00 C ATOM 1826 CG ASP B 23 -17.448 -18.413 -2.818 1.00 0.00 C ATOM 1827 OD1 ASP B 23 -16.710 -19.347 -2.550 1.00 0.00 O ATOM 1828 OD2 ASP B 23 -18.164 -18.370 -3.805 1.00 0.00 O ATOM 0 H ASP B 23 -17.074 -15.550 -0.040 1.00 0.00 H new ATOM 0 HA ASP B 23 -15.833 -17.959 -0.685 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -18.233 -17.384 -1.087 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -17.761 -16.317 -2.395 1.00 0.00 H new ATOM 1833 N LYS B 24 -15.246 -15.679 -3.027 1.00 0.00 N ATOM 1834 CA LYS B 24 -14.256 -15.311 -4.079 1.00 0.00 C ATOM 1835 C LYS B 24 -13.198 -14.402 -3.451 1.00 0.00 C ATOM 1836 O LYS B 24 -13.284 -14.037 -2.295 1.00 0.00 O ATOM 1837 CB LYS B 24 -14.964 -14.568 -5.214 1.00 0.00 C ATOM 1838 CG LYS B 24 -15.623 -13.300 -4.666 1.00 0.00 C ATOM 1839 CD LYS B 24 -16.607 -12.747 -5.700 1.00 0.00 C ATOM 1840 CE LYS B 24 -17.380 -11.575 -5.094 1.00 0.00 C ATOM 1841 NZ LYS B 24 -18.387 -12.093 -4.125 1.00 0.00 N ATOM 0 H LYS B 24 -16.039 -15.044 -2.938 1.00 0.00 H new ATOM 0 HA LYS B 24 -13.787 -16.208 -4.483 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -14.249 -14.310 -5.995 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -15.715 -15.212 -5.671 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -16.144 -13.522 -3.735 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -14.863 -12.553 -4.436 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -16.070 -12.420 -6.590 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -17.299 -13.529 -6.014 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -16.693 -10.893 -4.592 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -17.875 -11.006 -5.881 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -19.094 -11.355 -3.931 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -18.859 -12.928 -4.528 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -17.912 -12.358 -3.239 1.00 0.00 H new ATOM 1855 N HIS B 25 -12.214 -14.014 -4.220 1.00 0.00 N ATOM 1856 CA HIS B 25 -11.143 -13.100 -3.714 1.00 0.00 C ATOM 1857 C HIS B 25 -11.124 -11.872 -4.622 1.00 0.00 C ATOM 1858 O HIS B 25 -10.084 -11.443 -5.082 1.00 0.00 O ATOM 1859 CB HIS B 25 -9.790 -13.815 -3.784 1.00 0.00 C ATOM 1860 CG HIS B 25 -9.442 -14.098 -5.223 1.00 0.00 C ATOM 1861 ND1 HIS B 25 -8.433 -13.417 -5.887 1.00 0.00 N ATOM 1862 CD2 HIS B 25 -9.965 -14.977 -6.138 1.00 0.00 C ATOM 1863 CE1 HIS B 25 -8.382 -13.893 -7.145 1.00 0.00 C ATOM 1864 NE2 HIS B 25 -9.295 -14.847 -7.351 1.00 0.00 N ATOM 0 H HIS B 25 -12.105 -14.296 -5.194 1.00 0.00 H new ATOM 0 HA HIS B 25 -11.333 -12.811 -2.680 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -9.017 -13.197 -3.327 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -9.830 -14.746 -3.219 1.00 0.00 H new ATOM 0 HD1 HIS B 25 -7.838 -12.688 -5.494 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -10.774 -15.666 -5.946 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -7.688 -13.546 -7.896 1.00 0.00 H new ATOM 1872 N LYS B 26 -12.278 -11.317 -4.894 1.00 0.00 N ATOM 1873 CA LYS B 26 -12.360 -10.122 -5.785 1.00 0.00 C ATOM 1874 C LYS B 26 -13.288 -9.071 -5.169 1.00 0.00 C ATOM 1875 O LYS B 26 -14.249 -9.399 -4.501 1.00 0.00 O ATOM 1876 CB LYS B 26 -12.915 -10.561 -7.140 1.00 0.00 C ATOM 1877 CG LYS B 26 -12.208 -11.844 -7.581 1.00 0.00 C ATOM 1878 CD LYS B 26 -12.552 -12.146 -9.040 1.00 0.00 C ATOM 1879 CE LYS B 26 -11.794 -13.395 -9.496 1.00 0.00 C ATOM 1880 NZ LYS B 26 -12.146 -14.541 -8.610 1.00 0.00 N ATOM 0 H LYS B 26 -13.174 -11.644 -4.533 1.00 0.00 H new ATOM 0 HA LYS B 26 -11.368 -9.687 -5.907 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -13.990 -10.730 -7.069 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -12.764 -9.775 -7.880 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -11.130 -11.734 -7.467 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -12.513 -12.676 -6.946 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -13.626 -12.300 -9.147 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -12.287 -11.297 -9.670 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -12.047 -13.630 -10.530 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -10.720 -13.213 -9.464 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -11.277 -14.951 -8.211 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -12.758 -14.208 -7.838 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -12.649 -15.265 -9.162 1.00 0.00 H new ATOM 1894 N LEU B 27 -13.010 -7.812 -5.396 1.00 0.00 N ATOM 1895 CA LEU B 27 -13.870 -6.718 -4.838 1.00 0.00 C ATOM 1896 C LEU B 27 -14.383 -5.866 -6.000 1.00 0.00 C ATOM 1897 O LEU B 27 -13.677 -5.633 -6.960 1.00 0.00 O ATOM 1898 CB LEU B 27 -13.031 -5.850 -3.895 1.00 0.00 C ATOM 1899 CG LEU B 27 -13.936 -4.861 -3.140 1.00 0.00 C ATOM 1900 CD1 LEU B 27 -14.726 -5.581 -2.031 1.00 0.00 C ATOM 1901 CD2 LEU B 27 -13.064 -3.768 -2.515 1.00 0.00 C ATOM 0 H LEU B 27 -12.216 -7.490 -5.950 1.00 0.00 H new ATOM 0 HA LEU B 27 -14.710 -7.139 -4.286 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -12.498 -6.482 -3.185 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -12.278 -5.304 -4.464 1.00 0.00 H new ATOM 0 HG LEU B 27 -14.646 -4.424 -3.842 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -15.359 -4.863 -1.510 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -15.348 -6.359 -2.474 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -14.031 -6.032 -1.323 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -13.696 -3.061 -1.977 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -12.355 -4.220 -1.822 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -12.520 -3.243 -3.300 1.00 0.00 H new ATOM 1913 N LYS B 28 -15.608 -5.403 -5.936 1.00 0.00 N ATOM 1914 CA LYS B 28 -16.148 -4.574 -7.058 1.00 0.00 C ATOM 1915 C LYS B 28 -15.867 -3.094 -6.784 1.00 0.00 C ATOM 1916 O LYS B 28 -15.720 -2.682 -5.651 1.00 0.00 O ATOM 1917 CB LYS B 28 -17.658 -4.795 -7.177 1.00 0.00 C ATOM 1918 CG LYS B 28 -17.957 -6.294 -7.213 1.00 0.00 C ATOM 1919 CD LYS B 28 -19.439 -6.511 -7.527 1.00 0.00 C ATOM 1920 CE LYS B 28 -19.760 -8.005 -7.468 1.00 0.00 C ATOM 1921 NZ LYS B 28 -19.552 -8.502 -6.080 1.00 0.00 N ATOM 0 H LYS B 28 -16.253 -5.562 -5.162 1.00 0.00 H new ATOM 0 HA LYS B 28 -15.664 -4.867 -7.990 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -18.171 -4.332 -6.334 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -18.035 -4.317 -8.081 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -17.339 -6.781 -7.968 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -17.707 -6.749 -6.254 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -20.056 -5.967 -6.812 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -19.674 -6.117 -8.516 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -20.791 -8.179 -7.778 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -19.122 -8.553 -8.161 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -20.114 -9.365 -5.932 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -18.545 -8.716 -5.935 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -19.852 -7.773 -5.402 1.00 0.00 H new ATOM 1935 N LYS B 29 -15.793 -2.289 -7.809 1.00 0.00 N ATOM 1936 CA LYS B 29 -15.524 -0.835 -7.603 1.00 0.00 C ATOM 1937 C LYS B 29 -16.624 -0.218 -6.728 1.00 0.00 C ATOM 1938 O LYS B 29 -16.367 0.617 -5.884 1.00 0.00 O ATOM 1939 CB LYS B 29 -15.509 -0.129 -8.971 1.00 0.00 C ATOM 1940 CG LYS B 29 -16.623 -0.705 -9.880 1.00 0.00 C ATOM 1941 CD LYS B 29 -17.151 0.377 -10.833 1.00 0.00 C ATOM 1942 CE LYS B 29 -18.352 -0.170 -11.605 1.00 0.00 C ATOM 1943 NZ LYS B 29 -17.904 -1.261 -12.515 1.00 0.00 N ATOM 0 H LYS B 29 -15.907 -2.575 -8.781 1.00 0.00 H new ATOM 0 HA LYS B 29 -14.561 -0.712 -7.107 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -15.656 0.943 -8.837 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -14.537 -0.261 -9.446 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -16.234 -1.546 -10.454 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -17.439 -1.088 -9.267 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -17.440 1.264 -10.270 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -16.367 0.681 -11.526 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -19.103 -0.547 -10.911 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -18.822 0.628 -12.180 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -18.712 -1.598 -13.077 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -17.166 -0.900 -13.152 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -17.521 -2.047 -11.952 1.00 0.00 H new ATOM 1957 N SER B 30 -17.848 -0.605 -6.945 1.00 0.00 N ATOM 1958 CA SER B 30 -18.975 -0.031 -6.157 1.00 0.00 C ATOM 1959 C SER B 30 -18.760 -0.243 -4.654 1.00 0.00 C ATOM 1960 O SER B 30 -19.039 0.631 -3.849 1.00 0.00 O ATOM 1961 CB SER B 30 -20.275 -0.713 -6.578 1.00 0.00 C ATOM 1962 OG SER B 30 -20.340 -2.004 -5.987 1.00 0.00 O ATOM 0 H SER B 30 -18.120 -1.300 -7.640 1.00 0.00 H new ATOM 0 HA SER B 30 -19.025 1.040 -6.351 1.00 0.00 H new ATOM 0 HB2 SER B 30 -21.131 -0.114 -6.267 1.00 0.00 H new ATOM 0 HB3 SER B 30 -20.321 -0.795 -7.664 1.00 0.00 H new ATOM 0 HG SER B 30 -21.174 -2.444 -6.254 1.00 0.00 H new ATOM 1968 N GLU B 31 -18.264 -1.389 -4.255 1.00 0.00 N ATOM 1969 CA GLU B 31 -18.053 -1.614 -2.792 1.00 0.00 C ATOM 1970 C GLU B 31 -16.732 -0.970 -2.379 1.00 0.00 C ATOM 1971 O GLU B 31 -16.596 -0.448 -1.290 1.00 0.00 O ATOM 1972 CB GLU B 31 -18.045 -3.111 -2.469 1.00 0.00 C ATOM 1973 CG GLU B 31 -19.370 -3.737 -2.908 1.00 0.00 C ATOM 1974 CD GLU B 31 -20.515 -3.141 -2.087 1.00 0.00 C ATOM 1975 OE1 GLU B 31 -20.261 -2.725 -0.968 1.00 0.00 O ATOM 1976 OE2 GLU B 31 -21.625 -3.110 -2.591 1.00 0.00 O ATOM 0 H GLU B 31 -18.001 -2.163 -4.865 1.00 0.00 H new ATOM 0 HA GLU B 31 -18.872 -1.159 -2.234 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -17.214 -3.599 -2.978 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -17.896 -3.262 -1.400 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -19.536 -3.554 -3.970 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -19.336 -4.818 -2.772 1.00 0.00 H new ATOM 1983 N LEU B 32 -15.764 -0.978 -3.255 1.00 0.00 N ATOM 1984 CA LEU B 32 -14.463 -0.337 -2.923 1.00 0.00 C ATOM 1985 C LEU B 32 -14.727 1.141 -2.632 1.00 0.00 C ATOM 1986 O LEU B 32 -14.239 1.681 -1.661 1.00 0.00 O ATOM 1987 CB LEU B 32 -13.491 -0.496 -4.101 1.00 0.00 C ATOM 1988 CG LEU B 32 -12.037 -0.355 -3.625 1.00 0.00 C ATOM 1989 CD1 LEU B 32 -11.096 -0.682 -4.790 1.00 0.00 C ATOM 1990 CD2 LEU B 32 -11.773 1.081 -3.128 1.00 0.00 C ATOM 0 H LEU B 32 -15.819 -1.399 -4.182 1.00 0.00 H new ATOM 0 HA LEU B 32 -14.011 -0.808 -2.050 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -13.634 -1.470 -4.568 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -13.705 0.256 -4.860 1.00 0.00 H new ATOM 0 HG LEU B 32 -11.859 -1.045 -2.800 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -10.062 -0.584 -4.461 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -11.275 -1.703 -5.126 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -11.282 0.009 -5.613 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -10.739 1.166 -2.794 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -11.951 1.786 -3.940 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -12.442 1.308 -2.298 1.00 0.00 H new ATOM 2002 N LYS B 33 -15.487 1.817 -3.451 1.00 0.00 N ATOM 2003 CA LYS B 33 -15.735 3.256 -3.175 1.00 0.00 C ATOM 2004 C LYS B 33 -16.240 3.405 -1.743 1.00 0.00 C ATOM 2005 O LYS B 33 -15.674 4.124 -0.945 1.00 0.00 O ATOM 2006 CB LYS B 33 -16.781 3.801 -4.148 1.00 0.00 C ATOM 2007 CG LYS B 33 -16.932 5.309 -3.936 1.00 0.00 C ATOM 2008 CD LYS B 33 -17.745 5.910 -5.083 1.00 0.00 C ATOM 2009 CE LYS B 33 -17.940 7.407 -4.835 1.00 0.00 C ATOM 2010 NZ LYS B 33 -18.984 7.932 -5.759 1.00 0.00 N ATOM 0 H LYS B 33 -15.939 1.441 -4.285 1.00 0.00 H new ATOM 0 HA LYS B 33 -14.809 3.817 -3.302 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -16.481 3.595 -5.175 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -17.737 3.302 -3.989 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -17.427 5.505 -2.985 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -15.950 5.780 -3.887 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -17.231 5.751 -6.031 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -18.712 5.413 -5.158 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -18.235 7.580 -3.800 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -17.001 7.938 -4.991 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -19.117 8.950 -5.591 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -18.685 7.780 -6.743 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -19.881 7.433 -5.589 1.00 0.00 H new ATOM 2024 N GLU B 34 -17.311 2.734 -1.412 1.00 0.00 N ATOM 2025 CA GLU B 34 -17.850 2.853 -0.024 1.00 0.00 C ATOM 2026 C GLU B 34 -16.704 2.664 0.981 1.00 0.00 C ATOM 2027 O GLU B 34 -16.666 3.301 2.015 1.00 0.00 O ATOM 2028 CB GLU B 34 -18.922 1.786 0.209 1.00 0.00 C ATOM 2029 CG GLU B 34 -20.140 2.083 -0.668 1.00 0.00 C ATOM 2030 CD GLU B 34 -21.310 1.201 -0.231 1.00 0.00 C ATOM 2031 OE1 GLU B 34 -21.178 -0.009 -0.317 1.00 0.00 O ATOM 2032 OE2 GLU B 34 -22.317 1.749 0.183 1.00 0.00 O ATOM 0 H GLU B 34 -17.832 2.115 -2.034 1.00 0.00 H new ATOM 0 HA GLU B 34 -18.295 3.839 0.110 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -18.524 0.799 -0.026 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -19.212 1.771 1.259 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -20.413 3.135 -0.585 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -19.902 1.897 -1.715 1.00 0.00 H new ATOM 2039 N LEU B 35 -15.767 1.802 0.688 1.00 0.00 N ATOM 2040 CA LEU B 35 -14.625 1.589 1.629 1.00 0.00 C ATOM 2041 C LEU B 35 -13.777 2.866 1.707 1.00 0.00 C ATOM 2042 O LEU B 35 -13.337 3.256 2.770 1.00 0.00 O ATOM 2043 CB LEU B 35 -13.767 0.415 1.139 1.00 0.00 C ATOM 2044 CG LEU B 35 -12.716 0.044 2.199 1.00 0.00 C ATOM 2045 CD1 LEU B 35 -13.361 -0.740 3.355 1.00 0.00 C ATOM 2046 CD2 LEU B 35 -11.627 -0.818 1.549 1.00 0.00 C ATOM 0 H LEU B 35 -15.741 1.236 -0.160 1.00 0.00 H new ATOM 0 HA LEU B 35 -15.010 1.357 2.622 1.00 0.00 H new ATOM 0 HB2 LEU B 35 -14.402 -0.446 0.929 1.00 0.00 H new ATOM 0 HB3 LEU B 35 -13.273 0.682 0.205 1.00 0.00 H new ATOM 0 HG LEU B 35 -12.283 0.961 2.598 1.00 0.00 H new ATOM 0 HD11 LEU B 35 -12.600 -0.992 4.093 1.00 0.00 H new ATOM 0 HD12 LEU B 35 -14.132 -0.129 3.824 1.00 0.00 H new ATOM 0 HD13 LEU B 35 -13.809 -1.656 2.968 1.00 0.00 H new ATOM 0 HD21 LEU B 35 -10.879 -1.084 2.296 1.00 0.00 H new ATOM 0 HD22 LEU B 35 -12.075 -1.726 1.145 1.00 0.00 H new ATOM 0 HD23 LEU B 35 -11.152 -0.258 0.744 1.00 0.00 H new ATOM 2058 N ILE B 36 -13.559 3.534 0.609 1.00 0.00 N ATOM 2059 CA ILE B 36 -12.762 4.795 0.641 1.00 0.00 C ATOM 2060 C ILE B 36 -13.486 5.839 1.502 1.00 0.00 C ATOM 2061 O ILE B 36 -12.874 6.596 2.229 1.00 0.00 O ATOM 2062 CB ILE B 36 -12.631 5.324 -0.796 1.00 0.00 C ATOM 2063 CG1 ILE B 36 -11.655 4.427 -1.570 1.00 0.00 C ATOM 2064 CG2 ILE B 36 -12.094 6.761 -0.781 1.00 0.00 C ATOM 2065 CD1 ILE B 36 -11.696 4.766 -3.064 1.00 0.00 C ATOM 0 H ILE B 36 -13.899 3.261 -0.313 1.00 0.00 H new ATOM 0 HA ILE B 36 -11.776 4.603 1.064 1.00 0.00 H new ATOM 0 HB ILE B 36 -13.610 5.315 -1.275 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -10.644 4.562 -1.187 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -11.916 3.379 -1.420 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -12.005 7.127 -1.804 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -12.780 7.400 -0.226 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -11.115 6.778 -0.303 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -10.999 4.123 -3.602 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -12.705 4.608 -3.445 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -11.413 5.809 -3.208 1.00 0.00 H new ATOM 2077 N ASN B 37 -14.781 5.908 1.383 1.00 0.00 N ATOM 2078 CA ASN B 37 -15.565 6.928 2.140 1.00 0.00 C ATOM 2079 C ASN B 37 -15.413 6.769 3.659 1.00 0.00 C ATOM 2080 O ASN B 37 -15.611 7.715 4.396 1.00 0.00 O ATOM 2081 CB ASN B 37 -17.043 6.782 1.775 1.00 0.00 C ATOM 2082 CG ASN B 37 -17.848 7.899 2.441 1.00 0.00 C ATOM 2083 OD1 ASN B 37 -18.866 7.648 3.056 1.00 0.00 O ATOM 2084 ND2 ASN B 37 -17.433 9.132 2.342 1.00 0.00 N ATOM 0 H ASN B 37 -15.338 5.295 0.787 1.00 0.00 H new ATOM 0 HA ASN B 37 -15.183 7.912 1.868 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -17.167 6.826 0.693 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -17.414 5.810 2.099 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -17.963 9.885 2.781 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -16.579 9.343 1.826 1.00 0.00 H new ATOM 2091 N ASN B 38 -15.105 5.587 4.144 1.00 0.00 N ATOM 2092 CA ASN B 38 -14.992 5.383 5.633 1.00 0.00 C ATOM 2093 C ASN B 38 -13.552 5.064 6.055 1.00 0.00 C ATOM 2094 O ASN B 38 -13.217 5.168 7.219 1.00 0.00 O ATOM 2095 CB ASN B 38 -15.896 4.218 6.039 1.00 0.00 C ATOM 2096 CG ASN B 38 -17.333 4.513 5.607 1.00 0.00 C ATOM 2097 OD1 ASN B 38 -17.818 5.614 5.780 1.00 0.00 O ATOM 2098 ND2 ASN B 38 -18.041 3.570 5.047 1.00 0.00 N ATOM 0 H ASN B 38 -14.927 4.756 3.579 1.00 0.00 H new ATOM 0 HA ASN B 38 -15.294 6.306 6.128 1.00 0.00 H new ATOM 0 HB2 ASN B 38 -15.548 3.295 5.575 1.00 0.00 H new ATOM 0 HB3 ASN B 38 -15.853 4.069 7.118 1.00 0.00 H new ATOM 0 HD21 ASN B 38 -19.000 3.758 4.755 1.00 0.00 H new ATOM 0 HD22 ASN B 38 -17.635 2.646 4.901 1.00 0.00 H new ATOM 2105 N GLU B 39 -12.701 4.657 5.148 1.00 0.00 N ATOM 2106 CA GLU B 39 -11.294 4.313 5.543 1.00 0.00 C ATOM 2107 C GLU B 39 -10.345 5.485 5.269 1.00 0.00 C ATOM 2108 O GLU B 39 -9.292 5.579 5.869 1.00 0.00 O ATOM 2109 CB GLU B 39 -10.826 3.091 4.744 1.00 0.00 C ATOM 2110 CG GLU B 39 -11.591 1.841 5.203 1.00 0.00 C ATOM 2111 CD GLU B 39 -10.857 0.584 4.728 1.00 0.00 C ATOM 2112 OE1 GLU B 39 -10.196 0.659 3.706 1.00 0.00 O ATOM 2113 OE2 GLU B 39 -10.968 -0.430 5.397 1.00 0.00 O ATOM 0 H GLU B 39 -12.914 4.547 4.156 1.00 0.00 H new ATOM 0 HA GLU B 39 -11.280 4.095 6.611 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -10.990 3.257 3.679 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -9.755 2.944 4.883 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -11.678 1.834 6.290 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -12.605 1.855 4.802 1.00 0.00 H new ATOM 2120 N LEU B 40 -10.700 6.380 4.377 1.00 0.00 N ATOM 2121 CA LEU B 40 -9.809 7.553 4.074 1.00 0.00 C ATOM 2122 C LEU B 40 -10.553 8.855 4.385 1.00 0.00 C ATOM 2123 O LEU B 40 -10.313 9.882 3.781 1.00 0.00 O ATOM 2124 CB LEU B 40 -9.420 7.525 2.590 1.00 0.00 C ATOM 2125 CG LEU B 40 -8.346 6.442 2.346 1.00 0.00 C ATOM 2126 CD1 LEU B 40 -8.394 5.988 0.885 1.00 0.00 C ATOM 2127 CD2 LEU B 40 -6.945 7.000 2.647 1.00 0.00 C ATOM 0 H LEU B 40 -11.569 6.351 3.844 1.00 0.00 H new ATOM 0 HA LEU B 40 -8.910 7.496 4.687 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -10.299 7.321 1.979 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -9.040 8.501 2.287 1.00 0.00 H new ATOM 0 HG LEU B 40 -8.549 5.599 3.006 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -7.635 5.224 0.716 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -9.379 5.576 0.664 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -8.202 6.840 0.233 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -6.199 6.225 2.470 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -6.745 7.851 1.996 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -6.897 7.320 3.688 1.00 0.00 H new ATOM 2139 N SER B 41 -11.456 8.813 5.325 1.00 0.00 N ATOM 2140 CA SER B 41 -12.228 10.035 5.687 1.00 0.00 C ATOM 2141 C SER B 41 -11.335 11.016 6.456 1.00 0.00 C ATOM 2142 O SER B 41 -11.562 12.210 6.442 1.00 0.00 O ATOM 2143 CB SER B 41 -13.419 9.638 6.561 1.00 0.00 C ATOM 2144 OG SER B 41 -14.001 8.447 6.046 1.00 0.00 O ATOM 0 H SER B 41 -11.694 7.979 5.862 1.00 0.00 H new ATOM 0 HA SER B 41 -12.581 10.518 4.776 1.00 0.00 H new ATOM 0 HB2 SER B 41 -13.094 9.483 7.590 1.00 0.00 H new ATOM 0 HB3 SER B 41 -14.157 10.440 6.577 1.00 0.00 H new ATOM 0 HG SER B 41 -14.453 8.644 5.199 1.00 0.00 H new ATOM 2150 N HIS B 42 -10.329 10.532 7.133 1.00 0.00 N ATOM 2151 CA HIS B 42 -9.443 11.454 7.901 1.00 0.00 C ATOM 2152 C HIS B 42 -8.534 12.229 6.945 1.00 0.00 C ATOM 2153 O HIS B 42 -8.456 13.440 6.996 1.00 0.00 O ATOM 2154 CB HIS B 42 -8.579 10.646 8.871 1.00 0.00 C ATOM 2155 CG HIS B 42 -7.652 11.576 9.604 1.00 0.00 C ATOM 2156 ND1 HIS B 42 -8.052 12.285 10.725 1.00 0.00 N ATOM 2157 CD2 HIS B 42 -6.342 11.926 9.386 1.00 0.00 C ATOM 2158 CE1 HIS B 42 -7.001 13.019 11.136 1.00 0.00 C ATOM 2159 NE2 HIS B 42 -5.933 12.837 10.355 1.00 0.00 N ATOM 0 H HIS B 42 -10.083 9.544 7.188 1.00 0.00 H new ATOM 0 HA HIS B 42 -10.064 12.157 8.457 1.00 0.00 H new ATOM 0 HB2 HIS B 42 -9.211 10.111 9.580 1.00 0.00 H new ATOM 0 HB3 HIS B 42 -8.005 9.896 8.327 1.00 0.00 H new ATOM 0 HD2 HIS B 42 -5.723 11.551 8.584 1.00 0.00 H new ATOM 0 HE1 HIS B 42 -7.019 13.675 11.993 1.00 0.00 H new ATOM 0 HE2 HIS B 42 -5.015 13.272 10.449 1.00 0.00 H new ATOM 2167 N PHE B 43 -7.840 11.544 6.078 1.00 0.00 N ATOM 2168 CA PHE B 43 -6.932 12.251 5.132 1.00 0.00 C ATOM 2169 C PHE B 43 -7.756 13.148 4.207 1.00 0.00 C ATOM 2170 O PHE B 43 -7.258 14.107 3.651 1.00 0.00 O ATOM 2171 CB PHE B 43 -6.150 11.226 4.309 1.00 0.00 C ATOM 2172 CG PHE B 43 -5.288 10.398 5.235 1.00 0.00 C ATOM 2173 CD1 PHE B 43 -4.010 10.846 5.593 1.00 0.00 C ATOM 2174 CD2 PHE B 43 -5.770 9.184 5.740 1.00 0.00 C ATOM 2175 CE1 PHE B 43 -3.214 10.080 6.453 1.00 0.00 C ATOM 2176 CE2 PHE B 43 -4.973 8.418 6.600 1.00 0.00 C ATOM 2177 CZ PHE B 43 -3.696 8.866 6.957 1.00 0.00 C ATOM 0 H PHE B 43 -7.862 10.529 5.984 1.00 0.00 H new ATOM 0 HA PHE B 43 -6.229 12.867 5.693 1.00 0.00 H new ATOM 0 HB2 PHE B 43 -6.837 10.582 3.760 1.00 0.00 H new ATOM 0 HB3 PHE B 43 -5.529 11.733 3.570 1.00 0.00 H new ATOM 0 HD1 PHE B 43 -3.638 11.783 5.205 1.00 0.00 H new ATOM 0 HD2 PHE B 43 -6.756 8.839 5.466 1.00 0.00 H new ATOM 0 HE1 PHE B 43 -2.228 10.426 6.728 1.00 0.00 H new ATOM 0 HE2 PHE B 43 -5.344 7.481 6.988 1.00 0.00 H new ATOM 0 HZ PHE B 43 -3.083 8.275 7.621 1.00 0.00 H new ATOM 2187 N LEU B 44 -9.013 12.842 4.034 1.00 0.00 N ATOM 2188 CA LEU B 44 -9.869 13.675 3.141 1.00 0.00 C ATOM 2189 C LEU B 44 -9.680 15.155 3.503 1.00 0.00 C ATOM 2190 O LEU B 44 -9.769 16.029 2.664 1.00 0.00 O ATOM 2191 CB LEU B 44 -11.343 13.257 3.323 1.00 0.00 C ATOM 2192 CG LEU B 44 -12.135 13.426 2.010 1.00 0.00 C ATOM 2193 CD1 LEU B 44 -11.982 14.861 1.491 1.00 0.00 C ATOM 2194 CD2 LEU B 44 -11.639 12.424 0.940 1.00 0.00 C ATOM 0 H LEU B 44 -9.485 12.051 4.472 1.00 0.00 H new ATOM 0 HA LEU B 44 -9.586 13.528 2.099 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -11.392 12.218 3.650 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -11.801 13.860 4.107 1.00 0.00 H new ATOM 0 HG LEU B 44 -13.187 13.225 2.211 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -12.543 14.974 0.564 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -12.365 15.560 2.235 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -10.929 15.070 1.305 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -12.210 12.560 0.022 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -10.582 12.600 0.739 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -11.775 11.406 1.305 1.00 0.00 H new ATOM 2206 N GLU B 45 -9.408 15.439 4.746 1.00 0.00 N ATOM 2207 CA GLU B 45 -9.203 16.855 5.155 1.00 0.00 C ATOM 2208 C GLU B 45 -7.855 17.341 4.622 1.00 0.00 C ATOM 2209 O GLU B 45 -7.716 18.465 4.182 1.00 0.00 O ATOM 2210 CB GLU B 45 -9.214 16.953 6.682 1.00 0.00 C ATOM 2211 CG GLU B 45 -10.641 16.759 7.198 1.00 0.00 C ATOM 2212 CD GLU B 45 -10.650 16.864 8.724 1.00 0.00 C ATOM 2213 OE1 GLU B 45 -9.593 16.709 9.315 1.00 0.00 O ATOM 2214 OE2 GLU B 45 -11.713 17.096 9.276 1.00 0.00 O ATOM 0 H GLU B 45 -9.319 14.752 5.495 1.00 0.00 H new ATOM 0 HA GLU B 45 -10.003 17.474 4.748 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -8.556 16.197 7.110 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -8.831 17.924 6.997 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -11.301 17.512 6.767 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -11.022 15.786 6.887 1.00 0.00 H new ATOM 2221 N GLU B 46 -6.859 16.498 4.662 1.00 0.00 N ATOM 2222 CA GLU B 46 -5.513 16.899 4.161 1.00 0.00 C ATOM 2223 C GLU B 46 -5.438 16.672 2.649 1.00 0.00 C ATOM 2224 O GLU B 46 -4.588 15.950 2.165 1.00 0.00 O ATOM 2225 CB GLU B 46 -4.440 16.057 4.855 1.00 0.00 C ATOM 2226 CG GLU B 46 -4.250 16.549 6.291 1.00 0.00 C ATOM 2227 CD GLU B 46 -3.293 15.612 7.030 1.00 0.00 C ATOM 2228 OE1 GLU B 46 -3.643 14.456 7.204 1.00 0.00 O ATOM 2229 OE2 GLU B 46 -2.226 16.066 7.409 1.00 0.00 O ATOM 0 H GLU B 46 -6.920 15.545 5.021 1.00 0.00 H new ATOM 0 HA GLU B 46 -5.347 17.954 4.377 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -4.732 15.007 4.855 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -3.499 16.126 4.309 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -3.853 17.564 6.289 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -5.211 16.584 6.805 1.00 0.00 H new ATOM 2236 N ILE B 47 -6.315 17.293 1.902 1.00 0.00 N ATOM 2237 CA ILE B 47 -6.307 17.139 0.411 1.00 0.00 C ATOM 2238 C ILE B 47 -6.139 18.521 -0.219 1.00 0.00 C ATOM 2239 O ILE B 47 -6.566 19.517 0.331 1.00 0.00 O ATOM 2240 CB ILE B 47 -7.637 16.532 -0.054 1.00 0.00 C ATOM 2241 CG1 ILE B 47 -7.807 15.111 0.518 1.00 0.00 C ATOM 2242 CG2 ILE B 47 -7.674 16.483 -1.583 1.00 0.00 C ATOM 2243 CD1 ILE B 47 -6.626 14.208 0.127 1.00 0.00 C ATOM 0 H ILE B 47 -7.045 17.907 2.263 1.00 0.00 H new ATOM 0 HA ILE B 47 -5.489 16.483 0.111 1.00 0.00 H new ATOM 0 HB ILE B 47 -8.454 17.155 0.309 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -7.886 15.161 1.604 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -8.737 14.677 0.150 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -8.620 16.051 -1.910 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -7.579 17.493 -1.982 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -6.850 15.870 -1.947 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -6.775 13.213 0.545 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -6.564 14.140 -0.959 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -5.700 14.631 0.517 1.00 0.00 H new ATOM 2255 N LYS B 48 -5.514 18.592 -1.366 1.00 0.00 N ATOM 2256 CA LYS B 48 -5.306 19.912 -2.037 1.00 0.00 C ATOM 2257 C LYS B 48 -5.527 19.747 -3.540 1.00 0.00 C ATOM 2258 O LYS B 48 -6.274 20.484 -4.153 1.00 0.00 O ATOM 2259 CB LYS B 48 -3.874 20.382 -1.778 1.00 0.00 C ATOM 2260 CG LYS B 48 -3.636 21.729 -2.463 1.00 0.00 C ATOM 2261 CD LYS B 48 -2.285 22.289 -2.015 1.00 0.00 C ATOM 2262 CE LYS B 48 -2.101 23.699 -2.578 1.00 0.00 C ATOM 2263 NZ LYS B 48 -0.958 24.362 -1.888 1.00 0.00 N ATOM 0 H LYS B 48 -5.137 17.789 -1.870 1.00 0.00 H new ATOM 0 HA LYS B 48 -6.008 20.647 -1.644 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -3.700 20.474 -0.706 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -3.166 19.643 -2.153 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -3.652 21.608 -3.546 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -4.435 22.426 -2.209 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -2.232 22.312 -0.927 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -1.479 21.641 -2.360 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -1.915 23.653 -3.651 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -3.012 24.281 -2.437 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -0.831 25.321 -2.270 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -1.154 24.418 -0.868 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -0.091 23.810 -2.044 1.00 0.00 H new ATOM 2277 N GLU B 49 -4.890 18.778 -4.139 1.00 0.00 N ATOM 2278 CA GLU B 49 -5.072 18.562 -5.600 1.00 0.00 C ATOM 2279 C GLU B 49 -6.449 17.936 -5.835 1.00 0.00 C ATOM 2280 O GLU B 49 -6.561 16.823 -6.308 1.00 0.00 O ATOM 2281 CB GLU B 49 -3.978 17.626 -6.124 1.00 0.00 C ATOM 2282 CG GLU B 49 -2.628 18.016 -5.514 1.00 0.00 C ATOM 2283 CD GLU B 49 -1.536 17.091 -6.053 1.00 0.00 C ATOM 2284 OE1 GLU B 49 -1.004 17.387 -7.110 1.00 0.00 O ATOM 2285 OE2 GLU B 49 -1.251 16.101 -5.399 1.00 0.00 O ATOM 0 H GLU B 49 -4.252 18.128 -3.679 1.00 0.00 H new ATOM 0 HA GLU B 49 -5.003 19.513 -6.129 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -4.218 16.593 -5.871 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -3.927 17.684 -7.211 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -2.393 19.052 -5.757 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -2.675 17.946 -4.427 1.00 0.00 H new ATOM 2292 N GLN B 50 -7.495 18.635 -5.483 1.00 0.00 N ATOM 2293 CA GLN B 50 -8.870 18.078 -5.658 1.00 0.00 C ATOM 2294 C GLN B 50 -9.002 17.408 -7.028 1.00 0.00 C ATOM 2295 O GLN B 50 -9.820 16.531 -7.222 1.00 0.00 O ATOM 2296 CB GLN B 50 -9.889 19.215 -5.556 1.00 0.00 C ATOM 2297 CG GLN B 50 -9.678 19.975 -4.244 1.00 0.00 C ATOM 2298 CD GLN B 50 -10.736 21.071 -4.112 1.00 0.00 C ATOM 2299 OE1 GLN B 50 -11.873 20.797 -3.780 1.00 0.00 O ATOM 2300 NE2 GLN B 50 -10.409 22.310 -4.359 1.00 0.00 N ATOM 0 H GLN B 50 -7.457 19.571 -5.080 1.00 0.00 H new ATOM 0 HA GLN B 50 -9.054 17.337 -4.881 1.00 0.00 H new ATOM 0 HB2 GLN B 50 -9.779 19.893 -6.403 1.00 0.00 H new ATOM 0 HB3 GLN B 50 -10.902 18.814 -5.598 1.00 0.00 H new ATOM 0 HG2 GLN B 50 -9.743 19.289 -3.400 1.00 0.00 H new ATOM 0 HG3 GLN B 50 -8.680 20.414 -4.222 1.00 0.00 H new ATOM 0 HE21 GLN B 50 -9.455 22.540 -4.638 1.00 0.00 H new ATOM 0 HE22 GLN B 50 -11.107 23.049 -4.273 1.00 0.00 H new ATOM 2309 N GLU B 51 -8.206 17.809 -7.979 1.00 0.00 N ATOM 2310 CA GLU B 51 -8.295 17.188 -9.331 1.00 0.00 C ATOM 2311 C GLU B 51 -7.695 15.779 -9.303 1.00 0.00 C ATOM 2312 O GLU B 51 -8.040 14.942 -10.113 1.00 0.00 O ATOM 2313 CB GLU B 51 -7.570 18.052 -10.365 1.00 0.00 C ATOM 2314 CG GLU B 51 -7.981 19.516 -10.189 1.00 0.00 C ATOM 2315 CD GLU B 51 -7.229 20.381 -11.201 1.00 0.00 C ATOM 2316 OE1 GLU B 51 -7.665 20.443 -12.338 1.00 0.00 O ATOM 2317 OE2 GLU B 51 -6.228 20.968 -10.821 1.00 0.00 O ATOM 0 H GLU B 51 -7.499 18.538 -7.880 1.00 0.00 H new ATOM 0 HA GLU B 51 -9.345 17.118 -9.614 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -6.491 17.950 -10.247 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -7.814 17.714 -11.372 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -9.056 19.623 -10.331 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -7.759 19.848 -9.175 1.00 0.00 H new ATOM 2324 N VAL B 52 -6.837 15.485 -8.366 1.00 0.00 N ATOM 2325 CA VAL B 52 -6.279 14.103 -8.297 1.00 0.00 C ATOM 2326 C VAL B 52 -7.363 13.186 -7.727 1.00 0.00 C ATOM 2327 O VAL B 52 -7.664 12.151 -8.288 1.00 0.00 O ATOM 2328 CB VAL B 52 -5.048 14.083 -7.381 1.00 0.00 C ATOM 2329 CG1 VAL B 52 -4.651 12.635 -7.069 1.00 0.00 C ATOM 2330 CG2 VAL B 52 -3.882 14.780 -8.081 1.00 0.00 C ATOM 0 H VAL B 52 -6.501 16.132 -7.653 1.00 0.00 H new ATOM 0 HA VAL B 52 -5.978 13.766 -9.289 1.00 0.00 H new ATOM 0 HB VAL B 52 -5.288 14.601 -6.452 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -3.776 12.630 -6.418 1.00 0.00 H new ATOM 0 HG12 VAL B 52 -5.478 12.131 -6.569 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -4.416 12.114 -7.997 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -3.007 14.766 -7.431 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -3.652 14.259 -9.011 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -4.154 15.812 -8.301 1.00 0.00 H new ATOM 2340 N VAL B 53 -7.961 13.550 -6.628 1.00 0.00 N ATOM 2341 CA VAL B 53 -9.026 12.685 -6.052 1.00 0.00 C ATOM 2342 C VAL B 53 -10.184 12.588 -7.045 1.00 0.00 C ATOM 2343 O VAL B 53 -10.846 11.575 -7.148 1.00 0.00 O ATOM 2344 CB VAL B 53 -9.528 13.293 -4.741 1.00 0.00 C ATOM 2345 CG1 VAL B 53 -10.694 12.459 -4.205 1.00 0.00 C ATOM 2346 CG2 VAL B 53 -8.393 13.299 -3.715 1.00 0.00 C ATOM 0 H VAL B 53 -7.760 14.403 -6.107 1.00 0.00 H new ATOM 0 HA VAL B 53 -8.624 11.691 -5.857 1.00 0.00 H new ATOM 0 HB VAL B 53 -9.863 14.315 -4.919 1.00 0.00 H new ATOM 0 HG11 VAL B 53 -11.052 12.892 -3.271 1.00 0.00 H new ATOM 0 HG12 VAL B 53 -11.503 12.453 -4.935 1.00 0.00 H new ATOM 0 HG13 VAL B 53 -10.359 11.437 -4.026 1.00 0.00 H new ATOM 0 HG21 VAL B 53 -8.750 13.732 -2.780 1.00 0.00 H new ATOM 0 HG22 VAL B 53 -8.058 12.277 -3.537 1.00 0.00 H new ATOM 0 HG23 VAL B 53 -7.562 13.892 -4.096 1.00 0.00 H new ATOM 2356 N ASP B 54 -10.435 13.638 -7.778 1.00 0.00 N ATOM 2357 CA ASP B 54 -11.550 13.604 -8.763 1.00 0.00 C ATOM 2358 C ASP B 54 -11.296 12.491 -9.782 1.00 0.00 C ATOM 2359 O ASP B 54 -12.186 11.741 -10.133 1.00 0.00 O ATOM 2360 CB ASP B 54 -11.631 14.948 -9.490 1.00 0.00 C ATOM 2361 CG ASP B 54 -12.051 16.041 -8.505 1.00 0.00 C ATOM 2362 OD1 ASP B 54 -12.121 15.750 -7.323 1.00 0.00 O ATOM 2363 OD2 ASP B 54 -12.296 17.150 -8.951 1.00 0.00 O ATOM 0 H ASP B 54 -9.917 14.516 -7.737 1.00 0.00 H new ATOM 0 HA ASP B 54 -12.488 13.415 -8.242 1.00 0.00 H new ATOM 0 HB2 ASP B 54 -10.665 15.193 -9.930 1.00 0.00 H new ATOM 0 HB3 ASP B 54 -12.348 14.887 -10.309 1.00 0.00 H new ATOM 2368 N LYS B 55 -10.086 12.387 -10.271 1.00 0.00 N ATOM 2369 CA LYS B 55 -9.777 11.334 -11.281 1.00 0.00 C ATOM 2370 C LYS B 55 -9.818 9.954 -10.623 1.00 0.00 C ATOM 2371 O LYS B 55 -10.100 8.965 -11.271 1.00 0.00 O ATOM 2372 CB LYS B 55 -8.398 11.583 -11.891 1.00 0.00 C ATOM 2373 CG LYS B 55 -8.427 12.879 -12.704 1.00 0.00 C ATOM 2374 CD LYS B 55 -6.998 13.282 -13.075 1.00 0.00 C ATOM 2375 CE LYS B 55 -7.029 14.574 -13.896 1.00 0.00 C ATOM 2376 NZ LYS B 55 -8.032 14.445 -14.991 1.00 0.00 N ATOM 0 H LYS B 55 -9.301 12.985 -10.014 1.00 0.00 H new ATOM 0 HA LYS B 55 -10.525 11.371 -12.073 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -7.647 11.652 -11.104 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -8.115 10.747 -12.530 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -9.023 12.741 -13.606 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -8.901 13.672 -12.126 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -6.404 13.426 -12.173 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -6.521 12.486 -13.647 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -7.282 15.418 -13.255 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -6.043 14.775 -14.314 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -7.808 15.122 -15.748 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -8.007 13.478 -15.373 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -8.982 14.645 -14.617 1.00 0.00 H new ATOM 2390 N VAL B 56 -9.582 9.870 -9.343 1.00 0.00 N ATOM 2391 CA VAL B 56 -9.658 8.547 -8.667 1.00 0.00 C ATOM 2392 C VAL B 56 -11.099 8.046 -8.764 1.00 0.00 C ATOM 2393 O VAL B 56 -11.364 6.973 -9.267 1.00 0.00 O ATOM 2394 CB VAL B 56 -9.271 8.708 -7.195 1.00 0.00 C ATOM 2395 CG1 VAL B 56 -9.512 7.390 -6.455 1.00 0.00 C ATOM 2396 CG2 VAL B 56 -7.789 9.086 -7.097 1.00 0.00 C ATOM 0 H VAL B 56 -9.341 10.656 -8.740 1.00 0.00 H new ATOM 0 HA VAL B 56 -8.978 7.838 -9.139 1.00 0.00 H new ATOM 0 HB VAL B 56 -9.878 9.493 -6.743 1.00 0.00 H new ATOM 0 HG11 VAL B 56 -9.236 7.506 -5.407 1.00 0.00 H new ATOM 0 HG12 VAL B 56 -10.566 7.121 -6.525 1.00 0.00 H new ATOM 0 HG13 VAL B 56 -8.906 6.604 -6.905 1.00 0.00 H new ATOM 0 HG21 VAL B 56 -7.511 9.201 -6.049 1.00 0.00 H new ATOM 0 HG22 VAL B 56 -7.183 8.301 -7.549 1.00 0.00 H new ATOM 0 HG23 VAL B 56 -7.617 10.025 -7.623 1.00 0.00 H new ATOM 2406 N MET B 57 -12.033 8.820 -8.284 1.00 0.00 N ATOM 2407 CA MET B 57 -13.462 8.400 -8.339 1.00 0.00 C ATOM 2408 C MET B 57 -13.848 8.029 -9.775 1.00 0.00 C ATOM 2409 O MET B 57 -14.747 7.241 -9.994 1.00 0.00 O ATOM 2410 CB MET B 57 -14.349 9.552 -7.850 1.00 0.00 C ATOM 2411 CG MET B 57 -14.373 9.584 -6.317 1.00 0.00 C ATOM 2412 SD MET B 57 -12.692 9.400 -5.671 1.00 0.00 S ATOM 2413 CE MET B 57 -13.148 8.760 -4.041 1.00 0.00 C ATOM 0 H MET B 57 -11.867 9.730 -7.854 1.00 0.00 H new ATOM 0 HA MET B 57 -13.604 7.529 -7.699 1.00 0.00 H new ATOM 0 HB2 MET B 57 -13.973 10.500 -8.235 1.00 0.00 H new ATOM 0 HB3 MET B 57 -15.362 9.430 -8.235 1.00 0.00 H new ATOM 0 HG2 MET B 57 -14.804 10.523 -5.971 1.00 0.00 H new ATOM 0 HG3 MET B 57 -15.008 8.783 -5.938 1.00 0.00 H new ATOM 0 HE1 MET B 57 -12.289 8.822 -3.373 1.00 0.00 H new ATOM 0 HE2 MET B 57 -13.968 9.352 -3.634 1.00 0.00 H new ATOM 0 HE3 MET B 57 -13.462 7.720 -4.133 1.00 0.00 H new ATOM 2423 N GLU B 58 -13.172 8.566 -10.760 1.00 0.00 N ATOM 2424 CA GLU B 58 -13.503 8.209 -12.174 1.00 0.00 C ATOM 2425 C GLU B 58 -12.756 6.932 -12.567 1.00 0.00 C ATOM 2426 O GLU B 58 -13.268 6.116 -13.306 1.00 0.00 O ATOM 2427 CB GLU B 58 -13.136 9.357 -13.119 1.00 0.00 C ATOM 2428 CG GLU B 58 -14.118 10.515 -12.927 1.00 0.00 C ATOM 2429 CD GLU B 58 -13.915 11.546 -14.039 1.00 0.00 C ATOM 2430 OE1 GLU B 58 -13.631 11.138 -15.153 1.00 0.00 O ATOM 2431 OE2 GLU B 58 -14.046 12.726 -13.758 1.00 0.00 O ATOM 0 H GLU B 58 -12.409 9.233 -10.647 1.00 0.00 H new ATOM 0 HA GLU B 58 -14.576 8.035 -12.255 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -12.118 9.693 -12.921 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -13.162 9.013 -14.153 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -15.143 10.143 -12.944 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -13.963 10.979 -11.953 1.00 0.00 H new ATOM 2438 N THR B 59 -11.567 6.729 -12.073 1.00 0.00 N ATOM 2439 CA THR B 59 -10.839 5.482 -12.426 1.00 0.00 C ATOM 2440 C THR B 59 -11.574 4.302 -11.791 1.00 0.00 C ATOM 2441 O THR B 59 -11.849 3.319 -12.450 1.00 0.00 O ATOM 2442 CB THR B 59 -9.402 5.554 -11.915 1.00 0.00 C ATOM 2443 OG1 THR B 59 -9.402 6.064 -10.592 1.00 0.00 O ATOM 2444 CG2 THR B 59 -8.577 6.471 -12.820 1.00 0.00 C ATOM 0 H THR B 59 -11.073 7.365 -11.447 1.00 0.00 H new ATOM 0 HA THR B 59 -10.807 5.357 -13.508 1.00 0.00 H new ATOM 0 HB THR B 59 -8.962 4.557 -11.922 1.00 0.00 H new ATOM 0 HG1 THR B 59 -10.325 6.224 -10.303 1.00 0.00 H new ATOM 0 HG21 THR B 59 -7.552 6.520 -12.452 1.00 0.00 H new ATOM 0 HG22 THR B 59 -8.579 6.077 -13.836 1.00 0.00 H new ATOM 0 HG23 THR B 59 -9.011 7.471 -12.818 1.00 0.00 H new ATOM 2452 N LEU B 60 -11.934 4.385 -10.543 1.00 0.00 N ATOM 2453 CA LEU B 60 -12.690 3.259 -9.932 1.00 0.00 C ATOM 2454 C LEU B 60 -14.010 3.099 -10.692 1.00 0.00 C ATOM 2455 O LEU B 60 -14.308 2.045 -11.219 1.00 0.00 O ATOM 2456 CB LEU B 60 -12.983 3.573 -8.454 1.00 0.00 C ATOM 2457 CG LEU B 60 -11.767 3.227 -7.585 1.00 0.00 C ATOM 2458 CD1 LEU B 60 -10.650 4.243 -7.827 1.00 0.00 C ATOM 2459 CD2 LEU B 60 -12.174 3.266 -6.111 1.00 0.00 C ATOM 0 H LEU B 60 -11.741 5.173 -9.925 1.00 0.00 H new ATOM 0 HA LEU B 60 -12.106 2.340 -9.989 1.00 0.00 H new ATOM 0 HB2 LEU B 60 -13.230 4.629 -8.342 1.00 0.00 H new ATOM 0 HB3 LEU B 60 -13.851 3.005 -8.120 1.00 0.00 H new ATOM 0 HG LEU B 60 -11.410 2.231 -7.845 1.00 0.00 H new ATOM 0 HD11 LEU B 60 -9.789 3.992 -7.207 1.00 0.00 H new ATOM 0 HD12 LEU B 60 -10.359 4.221 -8.877 1.00 0.00 H new ATOM 0 HD13 LEU B 60 -11.004 5.241 -7.569 1.00 0.00 H new ATOM 0 HD21 LEU B 60 -11.313 3.021 -5.489 1.00 0.00 H new ATOM 0 HD22 LEU B 60 -12.531 4.264 -5.859 1.00 0.00 H new ATOM 0 HD23 LEU B 60 -12.968 2.541 -5.933 1.00 0.00 H new ATOM 2471 N ASP B 61 -14.802 4.137 -10.761 1.00 0.00 N ATOM 2472 CA ASP B 61 -16.093 4.035 -11.494 1.00 0.00 C ATOM 2473 C ASP B 61 -15.835 3.488 -12.900 1.00 0.00 C ATOM 2474 O ASP B 61 -16.706 2.913 -13.522 1.00 0.00 O ATOM 2475 CB ASP B 61 -16.735 5.420 -11.594 1.00 0.00 C ATOM 2476 CG ASP B 61 -17.239 5.849 -10.215 1.00 0.00 C ATOM 2477 OD1 ASP B 61 -16.784 5.280 -9.237 1.00 0.00 O ATOM 2478 OD2 ASP B 61 -18.071 6.739 -10.161 1.00 0.00 O ATOM 0 H ASP B 61 -14.609 5.047 -10.342 1.00 0.00 H new ATOM 0 HA ASP B 61 -16.764 3.364 -10.959 1.00 0.00 H new ATOM 0 HB2 ASP B 61 -16.010 6.142 -11.969 1.00 0.00 H new ATOM 0 HB3 ASP B 61 -17.561 5.399 -12.305 1.00 0.00 H new ATOM 2483 N GLU B 62 -14.637 3.660 -13.404 1.00 0.00 N ATOM 2484 CA GLU B 62 -14.305 3.151 -14.771 1.00 0.00 C ATOM 2485 C GLU B 62 -13.520 1.856 -14.649 1.00 0.00 C ATOM 2486 O GLU B 62 -12.560 1.607 -15.353 1.00 0.00 O ATOM 2487 CB GLU B 62 -13.456 4.163 -15.488 1.00 0.00 C ATOM 2488 CG GLU B 62 -14.292 5.398 -15.835 1.00 0.00 C ATOM 2489 CD GLU B 62 -15.236 5.069 -16.993 1.00 0.00 C ATOM 2490 OE1 GLU B 62 -14.768 4.516 -17.974 1.00 0.00 O ATOM 2491 OE2 GLU B 62 -16.412 5.376 -16.878 1.00 0.00 O ATOM 0 H GLU B 62 -13.871 4.134 -12.924 1.00 0.00 H new ATOM 0 HA GLU B 62 -15.227 2.978 -15.326 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -12.611 4.450 -14.862 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -13.044 3.725 -16.397 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -14.865 5.718 -14.965 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -13.639 6.227 -16.109 1.00 0.00 H new ATOM 2498 N ASP B 63 -13.938 1.049 -13.754 1.00 0.00 N ATOM 2499 CA ASP B 63 -13.272 -0.267 -13.509 1.00 0.00 C ATOM 2500 C ASP B 63 -12.964 -0.939 -14.851 1.00 0.00 C ATOM 2501 O ASP B 63 -11.948 -1.583 -15.020 1.00 0.00 O ATOM 2502 CB ASP B 63 -14.247 -1.152 -12.734 1.00 0.00 C ATOM 2503 CG ASP B 63 -13.618 -2.520 -12.484 1.00 0.00 C ATOM 2504 OD1 ASP B 63 -12.505 -2.556 -11.988 1.00 0.00 O ATOM 2505 OD2 ASP B 63 -14.263 -3.510 -12.788 1.00 0.00 O ATOM 0 H ASP B 63 -14.739 1.234 -13.151 1.00 0.00 H new ATOM 0 HA ASP B 63 -12.347 -0.123 -12.951 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -14.504 -0.681 -11.785 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -15.174 -1.265 -13.295 1.00 0.00 H new ATOM 2510 N GLY B 64 -13.823 -0.745 -15.807 1.00 0.00 N ATOM 2511 CA GLY B 64 -13.614 -1.319 -17.171 1.00 0.00 C ATOM 2512 C GLY B 64 -13.347 -2.837 -17.142 1.00 0.00 C ATOM 2513 O GLY B 64 -13.391 -3.480 -18.173 1.00 0.00 O ATOM 0 H GLY B 64 -14.680 -0.202 -15.703 1.00 0.00 H new ATOM 0 HA2 GLY B 64 -14.494 -1.120 -17.783 1.00 0.00 H new ATOM 0 HA3 GLY B 64 -12.773 -0.815 -17.648 1.00 0.00 H new ATOM 2517 N ASP B 65 -13.077 -3.426 -15.997 1.00 0.00 N ATOM 2518 CA ASP B 65 -12.819 -4.916 -15.955 1.00 0.00 C ATOM 2519 C ASP B 65 -14.030 -5.698 -15.381 1.00 0.00 C ATOM 2520 O ASP B 65 -14.249 -6.827 -15.773 1.00 0.00 O ATOM 2521 CB ASP B 65 -11.590 -5.193 -15.082 1.00 0.00 C ATOM 2522 CG ASP B 65 -11.690 -4.408 -13.775 1.00 0.00 C ATOM 2523 OD1 ASP B 65 -12.351 -4.885 -12.869 1.00 0.00 O ATOM 2524 OD2 ASP B 65 -11.095 -3.346 -13.701 1.00 0.00 O ATOM 0 H ASP B 65 -13.023 -2.950 -15.096 1.00 0.00 H new ATOM 0 HA ASP B 65 -12.652 -5.253 -16.978 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -11.517 -6.260 -14.870 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -10.683 -4.911 -15.617 1.00 0.00 H new ATOM 2529 N GLY B 66 -14.819 -5.152 -14.473 1.00 0.00 N ATOM 2530 CA GLY B 66 -15.987 -5.913 -13.921 1.00 0.00 C ATOM 2531 C GLY B 66 -15.660 -6.382 -12.499 1.00 0.00 C ATOM 2532 O GLY B 66 -16.540 -6.590 -11.687 1.00 0.00 O ATOM 0 H GLY B 66 -14.700 -4.213 -14.094 1.00 0.00 H new ATOM 0 HA2 GLY B 66 -16.876 -5.282 -13.913 1.00 0.00 H new ATOM 0 HA3 GLY B 66 -16.210 -6.770 -14.556 1.00 0.00 H new ATOM 2536 N GLU B 67 -14.399 -6.544 -12.185 1.00 0.00 N ATOM 2537 CA GLU B 67 -14.018 -6.992 -10.809 1.00 0.00 C ATOM 2538 C GLU B 67 -12.675 -6.368 -10.414 1.00 0.00 C ATOM 2539 O GLU B 67 -11.714 -6.449 -11.153 1.00 0.00 O ATOM 2540 CB GLU B 67 -13.899 -8.516 -10.804 1.00 0.00 C ATOM 2541 CG GLU B 67 -12.705 -8.945 -11.670 1.00 0.00 C ATOM 2542 CD GLU B 67 -12.836 -10.425 -12.043 1.00 0.00 C ATOM 2543 OE1 GLU B 67 -13.954 -10.874 -12.229 1.00 0.00 O ATOM 2544 OE2 GLU B 67 -11.812 -11.082 -12.137 1.00 0.00 O ATOM 0 H GLU B 67 -13.617 -6.386 -12.821 1.00 0.00 H new ATOM 0 HA GLU B 67 -14.778 -6.677 -10.094 1.00 0.00 H new ATOM 0 HB2 GLU B 67 -13.769 -8.877 -9.784 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -14.817 -8.963 -11.186 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -12.662 -8.336 -12.573 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -11.774 -8.779 -11.129 1.00 0.00 H new ATOM 2551 N CYS B 68 -12.588 -5.752 -9.257 1.00 0.00 N ATOM 2552 CA CYS B 68 -11.292 -5.134 -8.825 1.00 0.00 C ATOM 2553 C CYS B 68 -10.608 -6.056 -7.811 1.00 0.00 C ATOM 2554 O CYS B 68 -11.185 -6.426 -6.808 1.00 0.00 O ATOM 2555 CB CYS B 68 -11.562 -3.775 -8.176 1.00 0.00 C ATOM 2556 SG CYS B 68 -12.555 -2.757 -9.295 1.00 0.00 S ATOM 0 H CYS B 68 -13.357 -5.651 -8.595 1.00 0.00 H new ATOM 0 HA CYS B 68 -10.646 -4.997 -9.692 1.00 0.00 H new ATOM 0 HB2 CYS B 68 -12.085 -3.910 -7.229 1.00 0.00 H new ATOM 0 HB3 CYS B 68 -10.620 -3.274 -7.951 1.00 0.00 H new ATOM 0 HG CYS B 68 -12.161 -2.947 -10.519 1.00 0.00 H new ATOM 2562 N ASP B 69 -9.385 -6.436 -8.067 1.00 0.00 N ATOM 2563 CA ASP B 69 -8.668 -7.341 -7.121 1.00 0.00 C ATOM 2564 C ASP B 69 -8.052 -6.522 -5.982 1.00 0.00 C ATOM 2565 O ASP B 69 -8.249 -5.327 -5.885 1.00 0.00 O ATOM 2566 CB ASP B 69 -7.559 -8.083 -7.870 1.00 0.00 C ATOM 2567 CG ASP B 69 -7.035 -9.229 -7.003 1.00 0.00 C ATOM 2568 OD1 ASP B 69 -7.844 -10.026 -6.559 1.00 0.00 O ATOM 2569 OD2 ASP B 69 -5.834 -9.290 -6.799 1.00 0.00 O ATOM 0 H ASP B 69 -8.851 -6.159 -8.891 1.00 0.00 H new ATOM 0 HA ASP B 69 -9.375 -8.059 -6.705 1.00 0.00 H new ATOM 0 HB2 ASP B 69 -7.941 -8.472 -8.814 1.00 0.00 H new ATOM 0 HB3 ASP B 69 -6.748 -7.397 -8.113 1.00 0.00 H new ATOM 2574 N PHE B 70 -7.299 -7.158 -5.125 1.00 0.00 N ATOM 2575 CA PHE B 70 -6.658 -6.420 -3.996 1.00 0.00 C ATOM 2576 C PHE B 70 -5.484 -5.604 -4.542 1.00 0.00 C ATOM 2577 O PHE B 70 -5.198 -4.524 -4.064 1.00 0.00 O ATOM 2578 CB PHE B 70 -6.164 -7.425 -2.948 1.00 0.00 C ATOM 2579 CG PHE B 70 -5.762 -6.709 -1.677 1.00 0.00 C ATOM 2580 CD1 PHE B 70 -4.566 -5.979 -1.627 1.00 0.00 C ATOM 2581 CD2 PHE B 70 -6.579 -6.788 -0.542 1.00 0.00 C ATOM 2582 CE1 PHE B 70 -4.193 -5.327 -0.446 1.00 0.00 C ATOM 2583 CE2 PHE B 70 -6.203 -6.138 0.638 1.00 0.00 C ATOM 2584 CZ PHE B 70 -5.011 -5.406 0.687 1.00 0.00 C ATOM 0 H PHE B 70 -7.099 -8.158 -5.157 1.00 0.00 H new ATOM 0 HA PHE B 70 -7.377 -5.748 -3.528 1.00 0.00 H new ATOM 0 HB2 PHE B 70 -6.949 -8.150 -2.732 1.00 0.00 H new ATOM 0 HB3 PHE B 70 -5.315 -7.983 -3.342 1.00 0.00 H new ATOM 0 HD1 PHE B 70 -3.933 -5.920 -2.500 1.00 0.00 H new ATOM 0 HD2 PHE B 70 -7.500 -7.351 -0.578 1.00 0.00 H new ATOM 0 HE1 PHE B 70 -3.273 -4.762 -0.409 1.00 0.00 H new ATOM 0 HE2 PHE B 70 -6.833 -6.201 1.513 1.00 0.00 H new ATOM 0 HZ PHE B 70 -4.723 -4.903 1.598 1.00 0.00 H new ATOM 2594 N GLN B 71 -4.805 -6.096 -5.537 1.00 0.00 N ATOM 2595 CA GLN B 71 -3.661 -5.324 -6.100 1.00 0.00 C ATOM 2596 C GLN B 71 -4.174 -3.978 -6.622 1.00 0.00 C ATOM 2597 O GLN B 71 -3.518 -2.964 -6.495 1.00 0.00 O ATOM 2598 CB GLN B 71 -3.032 -6.114 -7.253 1.00 0.00 C ATOM 2599 CG GLN B 71 -2.337 -7.368 -6.707 1.00 0.00 C ATOM 2600 CD GLN B 71 -0.982 -6.990 -6.101 1.00 0.00 C ATOM 2601 OE1 GLN B 71 -0.920 -6.358 -5.066 1.00 0.00 O ATOM 2602 NE2 GLN B 71 0.114 -7.354 -6.709 1.00 0.00 N ATOM 0 H GLN B 71 -4.989 -6.994 -5.984 1.00 0.00 H new ATOM 0 HA GLN B 71 -2.912 -5.156 -5.326 1.00 0.00 H new ATOM 0 HB2 GLN B 71 -3.800 -6.397 -7.973 1.00 0.00 H new ATOM 0 HB3 GLN B 71 -2.312 -5.490 -7.783 1.00 0.00 H new ATOM 0 HG2 GLN B 71 -2.964 -7.842 -5.952 1.00 0.00 H new ATOM 0 HG3 GLN B 71 -2.197 -8.095 -7.507 1.00 0.00 H new ATOM 0 HE21 GLN B 71 0.063 -7.885 -7.578 1.00 0.00 H new ATOM 0 HE22 GLN B 71 1.022 -7.108 -6.315 1.00 0.00 H new ATOM 2611 N GLU B 72 -5.341 -3.958 -7.204 1.00 0.00 N ATOM 2612 CA GLU B 72 -5.893 -2.675 -7.726 1.00 0.00 C ATOM 2613 C GLU B 72 -6.335 -1.783 -6.560 1.00 0.00 C ATOM 2614 O GLU B 72 -6.344 -0.575 -6.660 1.00 0.00 O ATOM 2615 CB GLU B 72 -7.088 -2.960 -8.640 1.00 0.00 C ATOM 2616 CG GLU B 72 -6.606 -3.660 -9.912 1.00 0.00 C ATOM 2617 CD GLU B 72 -7.755 -3.734 -10.920 1.00 0.00 C ATOM 2618 OE1 GLU B 72 -8.611 -2.866 -10.878 1.00 0.00 O ATOM 2619 OE2 GLU B 72 -7.758 -4.657 -11.719 1.00 0.00 O ATOM 0 H GLU B 72 -5.937 -4.774 -7.341 1.00 0.00 H new ATOM 0 HA GLU B 72 -5.119 -2.160 -8.295 1.00 0.00 H new ATOM 0 HB2 GLU B 72 -7.814 -3.586 -8.121 1.00 0.00 H new ATOM 0 HB3 GLU B 72 -7.594 -2.029 -8.895 1.00 0.00 H new ATOM 0 HG2 GLU B 72 -5.765 -3.117 -10.342 1.00 0.00 H new ATOM 0 HG3 GLU B 72 -6.250 -4.663 -9.676 1.00 0.00 H new ATOM 2626 N PHE B 73 -6.667 -2.374 -5.445 1.00 0.00 N ATOM 2627 CA PHE B 73 -7.080 -1.575 -4.251 1.00 0.00 C ATOM 2628 C PHE B 73 -5.848 -0.925 -3.608 1.00 0.00 C ATOM 2629 O PHE B 73 -5.901 0.224 -3.222 1.00 0.00 O ATOM 2630 CB PHE B 73 -7.826 -2.477 -3.253 1.00 0.00 C ATOM 2631 CG PHE B 73 -7.881 -1.833 -1.879 1.00 0.00 C ATOM 2632 CD1 PHE B 73 -8.388 -0.535 -1.729 1.00 0.00 C ATOM 2633 CD2 PHE B 73 -7.424 -2.537 -0.754 1.00 0.00 C ATOM 2634 CE1 PHE B 73 -8.437 0.057 -0.461 1.00 0.00 C ATOM 2635 CE2 PHE B 73 -7.475 -1.944 0.513 1.00 0.00 C ATOM 2636 CZ PHE B 73 -7.981 -0.648 0.659 1.00 0.00 C ATOM 0 H PHE B 73 -6.671 -3.385 -5.307 1.00 0.00 H new ATOM 0 HA PHE B 73 -7.758 -0.779 -4.558 1.00 0.00 H new ATOM 0 HB2 PHE B 73 -8.838 -2.665 -3.612 1.00 0.00 H new ATOM 0 HB3 PHE B 73 -7.327 -3.444 -3.187 1.00 0.00 H new ATOM 0 HD1 PHE B 73 -8.741 0.009 -2.592 1.00 0.00 H new ATOM 0 HD2 PHE B 73 -7.033 -3.537 -0.866 1.00 0.00 H new ATOM 0 HE1 PHE B 73 -8.827 1.058 -0.347 1.00 0.00 H new ATOM 0 HE2 PHE B 73 -7.124 -2.487 1.378 1.00 0.00 H new ATOM 0 HZ PHE B 73 -8.020 -0.191 1.637 1.00 0.00 H new ATOM 2646 N MET B 74 -4.746 -1.601 -3.491 1.00 0.00 N ATOM 2647 CA MET B 74 -3.572 -0.917 -2.874 1.00 0.00 C ATOM 2648 C MET B 74 -3.158 0.241 -3.795 1.00 0.00 C ATOM 2649 O MET B 74 -2.972 1.352 -3.340 1.00 0.00 O ATOM 2650 CB MET B 74 -2.411 -1.914 -2.674 1.00 0.00 C ATOM 2651 CG MET B 74 -1.625 -1.569 -1.400 1.00 0.00 C ATOM 2652 SD MET B 74 -1.355 0.225 -1.313 1.00 0.00 S ATOM 2653 CE MET B 74 -1.889 0.482 0.400 1.00 0.00 C ATOM 0 H MET B 74 -4.603 -2.567 -3.784 1.00 0.00 H new ATOM 0 HA MET B 74 -3.834 -0.527 -1.891 1.00 0.00 H new ATOM 0 HB2 MET B 74 -2.802 -2.929 -2.604 1.00 0.00 H new ATOM 0 HB3 MET B 74 -1.747 -1.887 -3.538 1.00 0.00 H new ATOM 0 HG2 MET B 74 -2.173 -1.907 -0.520 1.00 0.00 H new ATOM 0 HG3 MET B 74 -0.668 -2.091 -1.399 1.00 0.00 H new ATOM 0 HE1 MET B 74 -1.799 1.538 0.655 1.00 0.00 H new ATOM 0 HE2 MET B 74 -2.928 0.170 0.508 1.00 0.00 H new ATOM 0 HE3 MET B 74 -1.262 -0.108 1.069 1.00 0.00 H new ATOM 2663 N ALA B 75 -3.019 0.020 -5.069 1.00 0.00 N ATOM 2664 CA ALA B 75 -2.629 1.139 -5.977 1.00 0.00 C ATOM 2665 C ALA B 75 -3.553 2.349 -5.787 1.00 0.00 C ATOM 2666 O ALA B 75 -3.093 3.473 -5.752 1.00 0.00 O ATOM 2667 CB ALA B 75 -2.717 0.662 -7.427 1.00 0.00 C ATOM 0 H ALA B 75 -3.157 -0.883 -5.524 1.00 0.00 H new ATOM 0 HA ALA B 75 -1.609 1.441 -5.738 1.00 0.00 H new ATOM 0 HB1 ALA B 75 -2.433 1.475 -8.095 1.00 0.00 H new ATOM 0 HB2 ALA B 75 -2.042 -0.181 -7.574 1.00 0.00 H new ATOM 0 HB3 ALA B 75 -3.739 0.352 -7.647 1.00 0.00 H new ATOM 2673 N PHE B 76 -4.839 2.159 -5.672 1.00 0.00 N ATOM 2674 CA PHE B 76 -5.730 3.349 -5.498 1.00 0.00 C ATOM 2675 C PHE B 76 -5.513 3.959 -4.108 1.00 0.00 C ATOM 2676 O PHE B 76 -5.625 5.155 -3.923 1.00 0.00 O ATOM 2677 CB PHE B 76 -7.210 2.954 -5.666 1.00 0.00 C ATOM 2678 CG PHE B 76 -7.563 2.839 -7.141 1.00 0.00 C ATOM 2679 CD1 PHE B 76 -7.406 3.942 -7.999 1.00 0.00 C ATOM 2680 CD2 PHE B 76 -8.044 1.625 -7.653 1.00 0.00 C ATOM 2681 CE1 PHE B 76 -7.726 3.823 -9.357 1.00 0.00 C ATOM 2682 CE2 PHE B 76 -8.365 1.512 -9.010 1.00 0.00 C ATOM 2683 CZ PHE B 76 -8.204 2.609 -9.862 1.00 0.00 C ATOM 0 H PHE B 76 -5.307 1.253 -5.690 1.00 0.00 H new ATOM 0 HA PHE B 76 -5.479 4.083 -6.263 1.00 0.00 H new ATOM 0 HB2 PHE B 76 -7.399 2.005 -5.165 1.00 0.00 H new ATOM 0 HB3 PHE B 76 -7.848 3.698 -5.190 1.00 0.00 H new ATOM 0 HD1 PHE B 76 -7.039 4.881 -7.611 1.00 0.00 H new ATOM 0 HD2 PHE B 76 -8.167 0.775 -6.998 1.00 0.00 H new ATOM 0 HE1 PHE B 76 -7.604 4.670 -10.016 1.00 0.00 H new ATOM 0 HE2 PHE B 76 -8.738 0.576 -9.400 1.00 0.00 H new ATOM 0 HZ PHE B 76 -8.449 2.519 -10.910 1.00 0.00 H new ATOM 2693 N VAL B 77 -5.199 3.155 -3.134 1.00 0.00 N ATOM 2694 CA VAL B 77 -4.973 3.708 -1.767 1.00 0.00 C ATOM 2695 C VAL B 77 -3.739 4.618 -1.789 1.00 0.00 C ATOM 2696 O VAL B 77 -3.678 5.608 -1.087 1.00 0.00 O ATOM 2697 CB VAL B 77 -4.756 2.557 -0.776 1.00 0.00 C ATOM 2698 CG1 VAL B 77 -4.277 3.114 0.570 1.00 0.00 C ATOM 2699 CG2 VAL B 77 -6.077 1.804 -0.570 1.00 0.00 C ATOM 0 H VAL B 77 -5.089 2.145 -3.221 1.00 0.00 H new ATOM 0 HA VAL B 77 -5.843 4.286 -1.455 1.00 0.00 H new ATOM 0 HB VAL B 77 -4.003 1.878 -1.175 1.00 0.00 H new ATOM 0 HG11 VAL B 77 -4.124 2.293 1.270 1.00 0.00 H new ATOM 0 HG12 VAL B 77 -3.338 3.650 0.429 1.00 0.00 H new ATOM 0 HG13 VAL B 77 -5.027 3.796 0.969 1.00 0.00 H new ATOM 0 HG21 VAL B 77 -5.924 0.986 0.134 1.00 0.00 H new ATOM 0 HG22 VAL B 77 -6.828 2.488 -0.174 1.00 0.00 H new ATOM 0 HG23 VAL B 77 -6.419 1.402 -1.524 1.00 0.00 H new ATOM 2709 N SER B 78 -2.756 4.294 -2.584 1.00 0.00 N ATOM 2710 CA SER B 78 -1.533 5.146 -2.640 1.00 0.00 C ATOM 2711 C SER B 78 -1.850 6.472 -3.342 1.00 0.00 C ATOM 2712 O SER B 78 -1.584 7.538 -2.824 1.00 0.00 O ATOM 2713 CB SER B 78 -0.436 4.412 -3.415 1.00 0.00 C ATOM 2714 OG SER B 78 -0.590 4.673 -4.804 1.00 0.00 O ATOM 0 H SER B 78 -2.746 3.478 -3.196 1.00 0.00 H new ATOM 0 HA SER B 78 -1.193 5.350 -1.625 1.00 0.00 H new ATOM 0 HB2 SER B 78 0.547 4.742 -3.078 1.00 0.00 H new ATOM 0 HB3 SER B 78 -0.495 3.340 -3.225 1.00 0.00 H new ATOM 0 HG SER B 78 0.175 5.194 -5.126 1.00 0.00 H new ATOM 2720 N MET B 79 -2.392 6.413 -4.528 1.00 0.00 N ATOM 2721 CA MET B 79 -2.700 7.667 -5.278 1.00 0.00 C ATOM 2722 C MET B 79 -3.488 8.642 -4.400 1.00 0.00 C ATOM 2723 O MET B 79 -3.271 9.837 -4.438 1.00 0.00 O ATOM 2724 CB MET B 79 -3.533 7.325 -6.516 1.00 0.00 C ATOM 2725 CG MET B 79 -2.730 6.411 -7.444 1.00 0.00 C ATOM 2726 SD MET B 79 -3.485 6.417 -9.095 1.00 0.00 S ATOM 2727 CE MET B 79 -3.713 4.629 -9.282 1.00 0.00 C ATOM 0 H MET B 79 -2.636 5.549 -5.012 1.00 0.00 H new ATOM 0 HA MET B 79 -1.761 8.136 -5.572 1.00 0.00 H new ATOM 0 HB2 MET B 79 -4.459 6.833 -6.218 1.00 0.00 H new ATOM 0 HB3 MET B 79 -3.812 8.238 -7.042 1.00 0.00 H new ATOM 0 HG2 MET B 79 -1.696 6.752 -7.503 1.00 0.00 H new ATOM 0 HG3 MET B 79 -2.709 5.397 -7.045 1.00 0.00 H new ATOM 0 HE1 MET B 79 -4.172 4.420 -10.248 1.00 0.00 H new ATOM 0 HE2 MET B 79 -2.745 4.131 -9.224 1.00 0.00 H new ATOM 0 HE3 MET B 79 -4.359 4.259 -8.486 1.00 0.00 H new ATOM 2737 N VAL B 80 -4.405 8.150 -3.617 1.00 0.00 N ATOM 2738 CA VAL B 80 -5.204 9.065 -2.751 1.00 0.00 C ATOM 2739 C VAL B 80 -4.346 9.552 -1.584 1.00 0.00 C ATOM 2740 O VAL B 80 -4.271 10.734 -1.310 1.00 0.00 O ATOM 2741 CB VAL B 80 -6.424 8.318 -2.206 1.00 0.00 C ATOM 2742 CG1 VAL B 80 -7.187 9.227 -1.242 1.00 0.00 C ATOM 2743 CG2 VAL B 80 -7.343 7.920 -3.363 1.00 0.00 C ATOM 0 H VAL B 80 -4.637 7.160 -3.538 1.00 0.00 H new ATOM 0 HA VAL B 80 -5.532 9.921 -3.341 1.00 0.00 H new ATOM 0 HB VAL B 80 -6.094 7.422 -1.681 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -8.056 8.697 -0.853 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -6.535 9.510 -0.416 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -7.515 10.123 -1.769 1.00 0.00 H new ATOM 0 HG21 VAL B 80 -8.211 7.388 -2.972 1.00 0.00 H new ATOM 0 HG22 VAL B 80 -7.673 8.815 -3.890 1.00 0.00 H new ATOM 0 HG23 VAL B 80 -6.801 7.272 -4.052 1.00 0.00 H new ATOM 2753 N THR B 81 -3.693 8.657 -0.896 1.00 0.00 N ATOM 2754 CA THR B 81 -2.837 9.084 0.246 1.00 0.00 C ATOM 2755 C THR B 81 -1.720 9.984 -0.282 1.00 0.00 C ATOM 2756 O THR B 81 -1.385 10.989 0.311 1.00 0.00 O ATOM 2757 CB THR B 81 -2.229 7.853 0.922 1.00 0.00 C ATOM 2758 OG1 THR B 81 -3.267 6.945 1.266 1.00 0.00 O ATOM 2759 CG2 THR B 81 -1.481 8.278 2.186 1.00 0.00 C ATOM 0 H THR B 81 -3.715 7.653 -1.074 1.00 0.00 H new ATOM 0 HA THR B 81 -3.438 9.629 0.974 1.00 0.00 H new ATOM 0 HB THR B 81 -1.532 7.369 0.238 1.00 0.00 H new ATOM 0 HG1 THR B 81 -3.524 6.427 0.475 1.00 0.00 H new ATOM 0 HG21 THR B 81 -1.049 7.400 2.666 1.00 0.00 H new ATOM 0 HG22 THR B 81 -0.686 8.975 1.921 1.00 0.00 H new ATOM 0 HG23 THR B 81 -2.174 8.763 2.873 1.00 0.00 H new ATOM 2767 N THR B 82 -1.145 9.633 -1.399 1.00 0.00 N ATOM 2768 CA THR B 82 -0.054 10.468 -1.974 1.00 0.00 C ATOM 2769 C THR B 82 -0.630 11.808 -2.438 1.00 0.00 C ATOM 2770 O THR B 82 0.082 12.783 -2.579 1.00 0.00 O ATOM 2771 CB THR B 82 0.575 9.743 -3.166 1.00 0.00 C ATOM 2772 OG1 THR B 82 -0.453 9.255 -4.015 1.00 0.00 O ATOM 2773 CG2 THR B 82 1.426 8.575 -2.666 1.00 0.00 C ATOM 0 H THR B 82 -1.385 8.802 -1.939 1.00 0.00 H new ATOM 0 HA THR B 82 0.708 10.641 -1.214 1.00 0.00 H new ATOM 0 HB THR B 82 1.207 10.436 -3.721 1.00 0.00 H new ATOM 0 HG1 THR B 82 -0.860 8.460 -3.612 1.00 0.00 H new ATOM 0 HG21 THR B 82 1.873 8.060 -3.516 1.00 0.00 H new ATOM 0 HG22 THR B 82 2.215 8.952 -2.015 1.00 0.00 H new ATOM 0 HG23 THR B 82 0.798 7.879 -2.110 1.00 0.00 H new ATOM 2781 N ALA B 83 -1.915 11.870 -2.670 1.00 0.00 N ATOM 2782 CA ALA B 83 -2.528 13.153 -3.117 1.00 0.00 C ATOM 2783 C ALA B 83 -2.492 14.155 -1.964 1.00 0.00 C ATOM 2784 O ALA B 83 -2.589 15.349 -2.161 1.00 0.00 O ATOM 2785 CB ALA B 83 -3.981 12.913 -3.535 1.00 0.00 C ATOM 0 H ALA B 83 -2.564 11.090 -2.569 1.00 0.00 H new ATOM 0 HA ALA B 83 -1.969 13.546 -3.966 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -4.426 13.853 -3.861 1.00 0.00 H new ATOM 0 HB2 ALA B 83 -4.010 12.194 -4.354 1.00 0.00 H new ATOM 0 HB3 ALA B 83 -4.543 12.520 -2.688 1.00 0.00 H new ATOM 2791 N CYS B 84 -2.353 13.675 -0.760 1.00 0.00 N ATOM 2792 CA CYS B 84 -2.311 14.598 0.410 1.00 0.00 C ATOM 2793 C CYS B 84 -0.984 15.364 0.409 1.00 0.00 C ATOM 2794 O CYS B 84 0.012 14.894 -0.103 1.00 0.00 O ATOM 2795 CB CYS B 84 -2.445 13.792 1.708 1.00 0.00 C ATOM 2796 SG CYS B 84 -0.882 12.955 2.080 1.00 0.00 S ATOM 0 H CYS B 84 -2.267 12.684 -0.535 1.00 0.00 H new ATOM 0 HA CYS B 84 -3.136 15.307 0.343 1.00 0.00 H new ATOM 0 HB2 CYS B 84 -2.718 14.454 2.530 1.00 0.00 H new ATOM 0 HB3 CYS B 84 -3.246 13.059 1.610 1.00 0.00 H new ATOM 0 HG CYS B 84 -0.810 11.849 1.401 1.00 0.00 H new ATOM 2802 N HIS B 85 -0.969 16.543 0.975 1.00 0.00 N ATOM 2803 CA HIS B 85 0.288 17.353 1.008 1.00 0.00 C ATOM 2804 C HIS B 85 1.479 16.462 1.375 1.00 0.00 C ATOM 2805 O HIS B 85 1.325 15.425 1.989 1.00 0.00 O ATOM 2806 CB HIS B 85 0.154 18.460 2.056 1.00 0.00 C ATOM 2807 CG HIS B 85 -1.134 19.207 1.849 1.00 0.00 C ATOM 2808 ND1 HIS B 85 -2.371 18.589 1.936 1.00 0.00 N ATOM 2809 CD2 HIS B 85 -1.393 20.526 1.566 1.00 0.00 C ATOM 2810 CE1 HIS B 85 -3.310 19.527 1.711 1.00 0.00 C ATOM 2811 NE2 HIS B 85 -2.767 20.725 1.481 1.00 0.00 N ATOM 0 H HIS B 85 -1.776 16.982 1.418 1.00 0.00 H new ATOM 0 HA HIS B 85 0.452 17.789 0.023 1.00 0.00 H new ATOM 0 HB2 HIS B 85 0.178 18.030 3.057 1.00 0.00 H new ATOM 0 HB3 HIS B 85 0.998 19.146 1.983 1.00 0.00 H new ATOM 0 HD2 HIS B 85 -0.644 21.292 1.430 1.00 0.00 H new ATOM 0 HE1 HIS B 85 -4.373 19.334 1.716 1.00 0.00 H new ATOM 0 HE2 HIS B 85 -3.255 21.599 1.285 1.00 0.00 H new ATOM 2819 N GLU B 86 2.667 16.863 1.009 1.00 0.00 N ATOM 2820 CA GLU B 86 3.866 16.043 1.344 1.00 0.00 C ATOM 2821 C GLU B 86 3.838 15.699 2.835 1.00 0.00 C ATOM 2822 O GLU B 86 4.138 16.522 3.678 1.00 0.00 O ATOM 2823 CB GLU B 86 5.132 16.841 1.025 1.00 0.00 C ATOM 2824 CG GLU B 86 5.314 16.926 -0.492 1.00 0.00 C ATOM 2825 CD GLU B 86 4.131 17.675 -1.108 1.00 0.00 C ATOM 2826 OE1 GLU B 86 3.156 17.026 -1.450 1.00 0.00 O ATOM 2827 OE2 GLU B 86 4.219 18.886 -1.226 1.00 0.00 O ATOM 0 H GLU B 86 2.858 17.722 0.493 1.00 0.00 H new ATOM 0 HA GLU B 86 3.861 15.124 0.757 1.00 0.00 H new ATOM 0 HB2 GLU B 86 5.060 17.842 1.450 1.00 0.00 H new ATOM 0 HB3 GLU B 86 6.000 16.363 1.480 1.00 0.00 H new ATOM 0 HG2 GLU B 86 6.246 17.439 -0.729 1.00 0.00 H new ATOM 0 HG3 GLU B 86 5.385 15.925 -0.917 1.00 0.00 H new ATOM 2834 N PHE B 87 3.472 14.492 3.169 1.00 0.00 N ATOM 2835 CA PHE B 87 3.414 14.100 4.606 1.00 0.00 C ATOM 2836 C PHE B 87 4.804 14.222 5.240 1.00 0.00 C ATOM 2837 O PHE B 87 4.933 14.376 6.438 1.00 0.00 O ATOM 2838 CB PHE B 87 2.904 12.662 4.731 1.00 0.00 C ATOM 2839 CG PHE B 87 3.839 11.715 4.016 1.00 0.00 C ATOM 2840 CD1 PHE B 87 4.993 11.253 4.660 1.00 0.00 C ATOM 2841 CD2 PHE B 87 3.546 11.290 2.715 1.00 0.00 C ATOM 2842 CE1 PHE B 87 5.854 10.366 4.001 1.00 0.00 C ATOM 2843 CE2 PHE B 87 4.407 10.405 2.056 1.00 0.00 C ATOM 2844 CZ PHE B 87 5.561 9.943 2.699 1.00 0.00 C ATOM 0 H PHE B 87 3.210 13.760 2.509 1.00 0.00 H new ATOM 0 HA PHE B 87 2.729 14.767 5.130 1.00 0.00 H new ATOM 0 HB2 PHE B 87 2.828 12.385 5.782 1.00 0.00 H new ATOM 0 HB3 PHE B 87 1.902 12.585 4.308 1.00 0.00 H new ATOM 0 HD1 PHE B 87 5.219 11.580 5.664 1.00 0.00 H new ATOM 0 HD2 PHE B 87 2.655 11.645 2.219 1.00 0.00 H new ATOM 0 HE1 PHE B 87 6.744 10.008 4.497 1.00 0.00 H new ATOM 0 HE2 PHE B 87 4.181 10.079 1.052 1.00 0.00 H new ATOM 0 HZ PHE B 87 6.226 9.260 2.191 1.00 0.00 H new ATOM 2854 N PHE B 88 5.846 14.159 4.455 1.00 0.00 N ATOM 2855 CA PHE B 88 7.216 14.278 5.035 1.00 0.00 C ATOM 2856 C PHE B 88 7.285 15.523 5.920 1.00 0.00 C ATOM 2857 O PHE B 88 7.875 15.509 6.982 1.00 0.00 O ATOM 2858 CB PHE B 88 8.245 14.396 3.908 1.00 0.00 C ATOM 2859 CG PHE B 88 8.108 13.219 2.966 1.00 0.00 C ATOM 2860 CD1 PHE B 88 8.410 11.927 3.414 1.00 0.00 C ATOM 2861 CD2 PHE B 88 7.683 13.420 1.646 1.00 0.00 C ATOM 2862 CE1 PHE B 88 8.289 10.836 2.542 1.00 0.00 C ATOM 2863 CE2 PHE B 88 7.561 12.330 0.775 1.00 0.00 C ATOM 2864 CZ PHE B 88 7.864 11.039 1.223 1.00 0.00 C ATOM 0 H PHE B 88 5.809 14.031 3.444 1.00 0.00 H new ATOM 0 HA PHE B 88 7.435 13.392 5.631 1.00 0.00 H new ATOM 0 HB2 PHE B 88 8.097 15.329 3.364 1.00 0.00 H new ATOM 0 HB3 PHE B 88 9.252 14.426 4.324 1.00 0.00 H new ATOM 0 HD1 PHE B 88 8.736 11.771 4.432 1.00 0.00 H new ATOM 0 HD2 PHE B 88 7.449 14.416 1.300 1.00 0.00 H new ATOM 0 HE1 PHE B 88 8.523 9.840 2.887 1.00 0.00 H new ATOM 0 HE2 PHE B 88 7.233 12.486 -0.242 1.00 0.00 H new ATOM 0 HZ PHE B 88 7.770 10.199 0.551 1.00 0.00 H new ATOM 2874 N GLU B 89 6.684 16.601 5.488 1.00 0.00 N ATOM 2875 CA GLU B 89 6.706 17.859 6.295 1.00 0.00 C ATOM 2876 C GLU B 89 5.382 18.009 7.046 1.00 0.00 C ATOM 2877 O GLU B 89 4.686 18.995 6.905 1.00 0.00 O ATOM 2878 CB GLU B 89 6.899 19.058 5.363 1.00 0.00 C ATOM 2879 CG GLU B 89 8.326 19.051 4.810 1.00 0.00 C ATOM 2880 CD GLU B 89 8.506 17.853 3.875 1.00 0.00 C ATOM 2881 OE1 GLU B 89 7.674 17.680 2.999 1.00 0.00 O ATOM 2882 OE2 GLU B 89 9.472 17.129 4.052 1.00 0.00 O ATOM 0 H GLU B 89 6.176 16.665 4.606 1.00 0.00 H new ATOM 0 HA GLU B 89 7.527 17.816 7.011 1.00 0.00 H new ATOM 0 HB2 GLU B 89 6.180 19.015 4.545 1.00 0.00 H new ATOM 0 HB3 GLU B 89 6.712 19.986 5.903 1.00 0.00 H new ATOM 0 HG2 GLU B 89 8.523 19.978 4.272 1.00 0.00 H new ATOM 0 HG3 GLU B 89 9.044 18.998 5.628 1.00 0.00 H new ATOM 2889 N HIS B 90 5.031 17.042 7.849 1.00 0.00 N ATOM 2890 CA HIS B 90 3.755 17.138 8.613 1.00 0.00 C ATOM 2891 C HIS B 90 3.796 18.376 9.512 1.00 0.00 C ATOM 2892 O HIS B 90 4.227 18.317 10.647 1.00 0.00 O ATOM 2893 CB HIS B 90 3.579 15.887 9.477 1.00 0.00 C ATOM 2894 CG HIS B 90 2.249 15.939 10.183 1.00 0.00 C ATOM 2895 ND1 HIS B 90 1.587 17.132 10.433 1.00 0.00 N ATOM 2896 CD2 HIS B 90 1.447 14.951 10.699 1.00 0.00 C ATOM 2897 CE1 HIS B 90 0.441 16.833 11.072 1.00 0.00 C ATOM 2898 NE2 HIS B 90 0.306 15.518 11.260 1.00 0.00 N ATOM 0 H HIS B 90 5.571 16.192 8.009 1.00 0.00 H new ATOM 0 HA HIS B 90 2.919 17.217 7.918 1.00 0.00 H new ATOM 0 HB2 HIS B 90 3.637 14.993 8.856 1.00 0.00 H new ATOM 0 HB3 HIS B 90 4.386 15.821 10.206 1.00 0.00 H new ATOM 0 HD2 HIS B 90 1.668 13.894 10.673 1.00 0.00 H new ATOM 0 HE1 HIS B 90 -0.282 17.568 11.394 1.00 0.00 H new ATOM 0 HE2 HIS B 90 -0.467 15.033 11.716 1.00 0.00 H new ATOM 2906 N GLU B 91 3.350 19.497 9.015 1.00 0.00 N ATOM 2907 CA GLU B 91 3.363 20.738 9.841 1.00 0.00 C ATOM 2908 C GLU B 91 2.370 21.746 9.262 1.00 0.00 C ATOM 2909 O GLU B 91 2.201 21.754 8.053 1.00 0.00 O ATOM 2910 CB GLU B 91 4.768 21.344 9.832 1.00 0.00 C ATOM 2911 CG GLU B 91 4.815 22.538 10.788 1.00 0.00 C ATOM 2912 CD GLU B 91 6.227 23.127 10.800 1.00 0.00 C ATOM 2913 OE1 GLU B 91 7.118 22.492 10.260 1.00 0.00 O ATOM 2914 OE2 GLU B 91 6.394 24.204 11.350 1.00 0.00 O ATOM 2915 OXT GLU B 91 1.795 22.494 10.036 1.00 0.00 O ATOM 0 H GLU B 91 2.977 19.607 8.072 1.00 0.00 H new ATOM 0 HA GLU B 91 3.079 20.495 10.865 1.00 0.00 H new ATOM 0 HB2 GLU B 91 5.501 20.595 10.132 1.00 0.00 H new ATOM 0 HB3 GLU B 91 5.032 21.662 8.823 1.00 0.00 H new ATOM 0 HG2 GLU B 91 4.096 23.296 10.476 1.00 0.00 H new ATOM 0 HG3 GLU B 91 4.532 22.224 11.793 1.00 0.00 H new TER 2922 GLU B 91