USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 854 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 Single : A 21 MET CE :methyl 160:sc= -0.106 (180deg=-0.6) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -110:sc= 1.29 USER MOD Single : A 30 ASN : amide:sc= -0.374 K(o=-0.37,f=-3.3!) USER MOD Single : A 32 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0444) USER MOD Single : A 33 LYS NZ :NH3+ -144:sc= 0.181 (180deg=-1.91!) USER MOD Single : A 40 LYS NZ :NH3+ -161:sc= 1.28 (180deg=1.02) USER MOD Single : A 41 MET CE :methyl -138:sc= -0.421 (180deg=-1.41) USER MOD Single : A 44 LYS NZ :NH3+ -176:sc= 1.2 (180deg=1.18) USER MOD Single : A 46 ASN : amide:sc= -0.74 X(o=-0.74,f=-0.29) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0601 USER MOD Single : A 59 LYS NZ :NH3+ 172:sc= 1.25 (180deg=1.07) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -163:sc= -0.101 (180deg=-0.427) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -160:sc= 1.11 (180deg=0.586) USER MOD Single : A 71 LYS NZ :NH3+ -168:sc= -0.0259 (180deg=-0.194) USER MOD Single : A 78 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0935) USER MOD Single : A 85 LYS NZ :NH3+ -116:sc= 1.2 (180deg=-0.476) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 130:sc= -0.0747 (180deg=-0.456) USER MOD Single : A 96 GLN : amide:sc= 0.203 X(o=0.2,f=-0.25) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 150:sc= 0.84 USER MOD Single : A 109 THR OG1 : rot 2:sc= 1.25 USER MOD Single : A 110 SER OG : rot -44:sc= 0.738 USER MOD Single : A 115 LYS NZ :NH3+ -144:sc= 0.701 (180deg=-0.42) USER MOD Single : A 119 LYS NZ :NH3+ -114:sc= 0.314 (180deg=-0.283) USER MOD Single : A 122 SER OG : rot -79:sc= 1.03 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 21 -7.274 -14.107 3.350 1.00 0.86 N ATOM 2 CA MET A 21 -7.303 -12.640 3.159 1.00 0.65 C ATOM 3 C MET A 21 -6.244 -12.217 2.153 1.00 0.55 C ATOM 4 O MET A 21 -5.123 -12.723 2.173 1.00 0.75 O ATOM 5 CB MET A 21 -7.062 -11.910 4.486 1.00 0.73 C ATOM 6 CG MET A 21 -8.169 -12.090 5.516 1.00 1.04 C ATOM 7 SD MET A 21 -8.312 -13.787 6.120 1.00 1.93 S ATOM 8 CE MET A 21 -6.731 -13.992 6.941 1.00 2.17 C ATOM 0 HA MET A 21 -8.290 -12.372 2.783 1.00 0.65 H new ATOM 0 HB2 MET A 21 -6.124 -12.262 4.915 1.00 0.73 H new ATOM 0 HB3 MET A 21 -6.941 -10.846 4.284 1.00 0.73 H new ATOM 0 HG2 MET A 21 -7.983 -11.426 6.360 1.00 1.04 H new ATOM 0 HG3 MET A 21 -9.119 -11.787 5.075 1.00 1.04 H new ATOM 0 HE1 MET A 21 -6.794 -14.817 7.650 1.00 2.17 H new ATOM 0 HE2 MET A 21 -5.961 -14.208 6.200 1.00 2.17 H new ATOM 0 HE3 MET A 21 -6.476 -13.075 7.473 1.00 2.17 H new ATOM 17 N THR A 22 -6.600 -11.294 1.270 1.00 0.43 N ATOM 18 CA THR A 22 -5.655 -10.781 0.293 1.00 0.41 C ATOM 19 C THR A 22 -5.061 -9.466 0.788 1.00 0.35 C ATOM 20 O THR A 22 -5.780 -8.613 1.314 1.00 0.38 O ATOM 21 CB THR A 22 -6.333 -10.557 -1.072 1.00 0.52 C ATOM 22 OG1 THR A 22 -7.216 -11.647 -1.358 1.00 0.82 O ATOM 23 CG2 THR A 22 -5.295 -10.449 -2.180 1.00 0.63 C ATOM 0 H THR A 22 -7.534 -10.887 1.212 1.00 0.43 H new ATOM 0 HA THR A 22 -4.863 -11.520 0.168 1.00 0.41 H new ATOM 0 HB THR A 22 -6.896 -9.625 -1.026 1.00 0.52 H new ATOM 0 HG1 THR A 22 -7.647 -11.500 -2.226 1.00 0.82 H new ATOM 0 HG21 THR A 22 -5.797 -10.291 -3.135 1.00 0.63 H new ATOM 0 HG22 THR A 22 -4.631 -9.609 -1.976 1.00 0.63 H new ATOM 0 HG23 THR A 22 -4.713 -11.369 -2.224 1.00 0.63 H new ATOM 31 N LEU A 23 -3.755 -9.315 0.636 1.00 0.32 N ATOM 32 CA LEU A 23 -3.062 -8.132 1.115 1.00 0.29 C ATOM 33 C LEU A 23 -2.371 -7.413 -0.039 1.00 0.26 C ATOM 34 O LEU A 23 -1.582 -8.008 -0.779 1.00 0.30 O ATOM 35 CB LEU A 23 -2.044 -8.521 2.190 1.00 0.30 C ATOM 36 CG LEU A 23 -2.622 -9.260 3.402 1.00 0.36 C ATOM 37 CD1 LEU A 23 -1.515 -9.651 4.368 1.00 0.39 C ATOM 38 CD2 LEU A 23 -3.660 -8.404 4.111 1.00 0.39 C ATOM 0 H LEU A 23 -3.152 -10.001 0.182 1.00 0.32 H new ATOM 0 HA LEU A 23 -3.792 -7.451 1.553 1.00 0.29 H new ATOM 0 HB2 LEU A 23 -1.279 -9.149 1.733 1.00 0.30 H new ATOM 0 HB3 LEU A 23 -1.546 -7.617 2.540 1.00 0.30 H new ATOM 0 HG LEU A 23 -3.109 -10.167 3.044 1.00 0.36 H new ATOM 0 HD11 LEU A 23 -1.945 -10.174 5.222 1.00 0.39 H new ATOM 0 HD12 LEU A 23 -0.805 -10.305 3.862 1.00 0.39 H new ATOM 0 HD13 LEU A 23 -1.000 -8.755 4.714 1.00 0.39 H new ATOM 0 HD21 LEU A 23 -4.057 -8.948 4.968 1.00 0.39 H new ATOM 0 HD22 LEU A 23 -3.197 -7.478 4.452 1.00 0.39 H new ATOM 0 HD23 LEU A 23 -4.472 -8.171 3.422 1.00 0.39 H new ATOM 50 N PHE A 24 -2.680 -6.137 -0.194 1.00 0.25 N ATOM 51 CA PHE A 24 -2.148 -5.347 -1.295 1.00 0.25 C ATOM 52 C PHE A 24 -1.206 -4.276 -0.770 1.00 0.26 C ATOM 53 O PHE A 24 -1.361 -3.803 0.356 1.00 0.30 O ATOM 54 CB PHE A 24 -3.284 -4.677 -2.075 1.00 0.28 C ATOM 55 CG PHE A 24 -4.321 -5.631 -2.603 1.00 0.34 C ATOM 56 CD1 PHE A 24 -4.305 -6.028 -3.930 1.00 1.24 C ATOM 57 CD2 PHE A 24 -5.315 -6.123 -1.774 1.00 1.25 C ATOM 58 CE1 PHE A 24 -5.259 -6.897 -4.417 1.00 1.25 C ATOM 59 CE2 PHE A 24 -6.272 -6.993 -2.255 1.00 1.30 C ATOM 60 CZ PHE A 24 -6.243 -7.381 -3.578 1.00 0.51 C ATOM 0 H PHE A 24 -3.300 -5.622 0.432 1.00 0.25 H new ATOM 0 HA PHE A 24 -1.603 -6.018 -1.959 1.00 0.25 H new ATOM 0 HB2 PHE A 24 -3.773 -3.949 -1.428 1.00 0.28 H new ATOM 0 HB3 PHE A 24 -2.857 -4.124 -2.911 1.00 0.28 H new ATOM 0 HD1 PHE A 24 -3.537 -5.653 -4.590 1.00 1.24 H new ATOM 0 HD2 PHE A 24 -5.342 -5.822 -0.737 1.00 1.25 H new ATOM 0 HE1 PHE A 24 -5.236 -7.199 -5.454 1.00 1.25 H new ATOM 0 HE2 PHE A 24 -7.042 -7.369 -1.597 1.00 1.30 H new ATOM 0 HZ PHE A 24 -6.989 -8.063 -3.958 1.00 0.51 H new ATOM 70 N VAL A 25 -0.236 -3.892 -1.584 1.00 0.29 N ATOM 71 CA VAL A 25 0.665 -2.812 -1.228 1.00 0.31 C ATOM 72 C VAL A 25 0.840 -1.841 -2.397 1.00 0.30 C ATOM 73 O VAL A 25 1.368 -2.188 -3.457 1.00 0.35 O ATOM 74 CB VAL A 25 2.037 -3.336 -0.722 1.00 0.38 C ATOM 75 CG1 VAL A 25 2.663 -4.311 -1.705 1.00 1.08 C ATOM 76 CG2 VAL A 25 2.986 -2.178 -0.435 1.00 0.98 C ATOM 0 H VAL A 25 -0.054 -4.313 -2.495 1.00 0.29 H new ATOM 0 HA VAL A 25 0.209 -2.270 -0.399 1.00 0.31 H new ATOM 0 HB VAL A 25 1.858 -3.876 0.208 1.00 0.38 H new ATOM 0 HG11 VAL A 25 3.621 -4.655 -1.316 1.00 1.08 H new ATOM 0 HG12 VAL A 25 2.000 -5.165 -1.843 1.00 1.08 H new ATOM 0 HG13 VAL A 25 2.818 -3.813 -2.662 1.00 1.08 H new ATOM 0 HG21 VAL A 25 3.940 -2.569 -0.082 1.00 0.98 H new ATOM 0 HG22 VAL A 25 3.144 -1.603 -1.347 1.00 0.98 H new ATOM 0 HG23 VAL A 25 2.553 -1.533 0.330 1.00 0.98 H new ATOM 86 N LEU A 26 0.346 -0.632 -2.196 1.00 0.34 N ATOM 87 CA LEU A 26 0.456 0.438 -3.173 1.00 0.35 C ATOM 88 C LEU A 26 1.631 1.315 -2.793 1.00 0.34 C ATOM 89 O LEU A 26 1.972 1.401 -1.614 1.00 0.36 O ATOM 90 CB LEU A 26 -0.823 1.286 -3.206 1.00 0.40 C ATOM 91 CG LEU A 26 -2.069 0.633 -3.824 1.00 0.44 C ATOM 92 CD1 LEU A 26 -2.482 -0.625 -3.087 1.00 1.18 C ATOM 93 CD2 LEU A 26 -3.218 1.617 -3.824 1.00 1.09 C ATOM 0 H LEU A 26 -0.146 -0.363 -1.344 1.00 0.34 H new ATOM 0 HA LEU A 26 0.602 0.004 -4.162 1.00 0.35 H new ATOM 0 HB2 LEU A 26 -1.064 1.578 -2.184 1.00 0.40 H new ATOM 0 HB3 LEU A 26 -0.610 2.202 -3.758 1.00 0.40 H new ATOM 0 HG LEU A 26 -1.815 0.351 -4.846 1.00 0.44 H new ATOM 0 HD11 LEU A 26 -3.367 -1.050 -3.561 1.00 1.18 H new ATOM 0 HD12 LEU A 26 -1.669 -1.350 -3.120 1.00 1.18 H new ATOM 0 HD13 LEU A 26 -2.708 -0.381 -2.049 1.00 1.18 H new ATOM 0 HD21 LEU A 26 -4.099 1.148 -4.263 1.00 1.09 H new ATOM 0 HD22 LEU A 26 -3.440 1.917 -2.800 1.00 1.09 H new ATOM 0 HD23 LEU A 26 -2.945 2.495 -4.409 1.00 1.09 H new ATOM 105 N ILE A 27 2.265 1.950 -3.763 1.00 0.34 N ATOM 106 CA ILE A 27 3.443 2.744 -3.463 1.00 0.32 C ATOM 107 C ILE A 27 3.642 3.902 -4.444 1.00 0.30 C ATOM 108 O ILE A 27 3.773 3.691 -5.653 1.00 0.36 O ATOM 109 CB ILE A 27 4.696 1.833 -3.429 1.00 0.33 C ATOM 110 CG1 ILE A 27 5.957 2.625 -3.070 1.00 0.33 C ATOM 111 CG2 ILE A 27 4.874 1.113 -4.758 1.00 0.35 C ATOM 112 CD1 ILE A 27 7.169 1.744 -2.839 1.00 0.55 C ATOM 0 H ILE A 27 1.992 1.933 -4.746 1.00 0.34 H new ATOM 0 HA ILE A 27 3.292 3.194 -2.482 1.00 0.32 H new ATOM 0 HB ILE A 27 4.541 1.087 -2.649 1.00 0.33 H new ATOM 0 HG12 ILE A 27 6.176 3.330 -3.872 1.00 0.33 H new ATOM 0 HG13 ILE A 27 5.766 3.212 -2.172 1.00 0.33 H new ATOM 0 HG21 ILE A 27 5.759 0.479 -4.713 1.00 0.35 H new ATOM 0 HG22 ILE A 27 3.997 0.498 -4.959 1.00 0.35 H new ATOM 0 HG23 ILE A 27 4.993 1.846 -5.556 1.00 0.35 H new ATOM 0 HD11 ILE A 27 8.028 2.366 -2.589 1.00 0.55 H new ATOM 0 HD12 ILE A 27 6.967 1.056 -2.018 1.00 0.55 H new ATOM 0 HD13 ILE A 27 7.384 1.176 -3.744 1.00 0.55 H new ATOM 124 N LEU A 28 3.642 5.135 -3.931 1.00 0.30 N ATOM 125 CA LEU A 28 4.121 6.260 -4.724 1.00 0.36 C ATOM 126 C LEU A 28 5.486 6.675 -4.210 1.00 0.38 C ATOM 127 O LEU A 28 5.633 7.692 -3.525 1.00 0.41 O ATOM 128 CB LEU A 28 3.182 7.471 -4.624 1.00 0.46 C ATOM 129 CG LEU A 28 1.929 7.446 -5.497 1.00 0.62 C ATOM 130 CD1 LEU A 28 0.887 6.491 -4.949 1.00 1.24 C ATOM 131 CD2 LEU A 28 1.350 8.846 -5.611 1.00 1.18 C ATOM 0 H LEU A 28 3.323 5.373 -2.992 1.00 0.30 H new ATOM 0 HA LEU A 28 4.165 5.941 -5.765 1.00 0.36 H new ATOM 0 HB2 LEU A 28 2.870 7.574 -3.585 1.00 0.46 H new ATOM 0 HB3 LEU A 28 3.753 8.365 -4.875 1.00 0.46 H new ATOM 0 HG LEU A 28 2.215 7.091 -6.487 1.00 0.62 H new ATOM 0 HD11 LEU A 28 0.010 6.500 -5.596 1.00 1.24 H new ATOM 0 HD12 LEU A 28 1.301 5.483 -4.912 1.00 1.24 H new ATOM 0 HD13 LEU A 28 0.600 6.803 -3.945 1.00 1.24 H new ATOM 0 HD21 LEU A 28 0.457 8.821 -6.235 1.00 1.18 H new ATOM 0 HD22 LEU A 28 1.089 9.214 -4.619 1.00 1.18 H new ATOM 0 HD23 LEU A 28 2.088 9.510 -6.061 1.00 1.18 H new ATOM 143 N SER A 29 6.479 5.893 -4.575 1.00 0.44 N ATOM 144 CA SER A 29 7.861 6.179 -4.259 1.00 0.56 C ATOM 145 C SER A 29 8.743 5.615 -5.361 1.00 0.68 C ATOM 146 O SER A 29 9.169 4.460 -5.271 1.00 1.05 O ATOM 147 CB SER A 29 8.231 5.552 -2.911 1.00 0.61 C ATOM 148 OG SER A 29 7.444 6.079 -1.853 1.00 1.27 O ATOM 0 H SER A 29 6.348 5.032 -5.105 1.00 0.44 H new ATOM 0 HA SER A 29 8.008 7.257 -4.189 1.00 0.56 H new ATOM 0 HB2 SER A 29 8.095 4.472 -2.963 1.00 0.61 H new ATOM 0 HB3 SER A 29 9.286 5.731 -2.704 1.00 0.61 H new ATOM 0 HG SER A 29 8.006 6.634 -1.273 1.00 1.27 H new ATOM 154 N ASN A 30 9.015 6.370 -6.408 1.00 0.60 N ATOM 155 CA ASN A 30 9.768 5.789 -7.500 1.00 0.67 C ATOM 156 C ASN A 30 11.249 6.085 -7.352 1.00 0.64 C ATOM 157 O ASN A 30 11.752 7.121 -7.795 1.00 0.68 O ATOM 158 CB ASN A 30 9.253 6.303 -8.849 1.00 0.79 C ATOM 159 CG ASN A 30 9.813 5.526 -10.034 1.00 1.85 C ATOM 160 OD1 ASN A 30 10.932 5.011 -9.996 1.00 2.75 O ATOM 161 ND2 ASN A 30 9.033 5.437 -11.100 1.00 2.45 N ATOM 0 H ASN A 30 8.740 7.345 -6.525 1.00 0.60 H new ATOM 0 HA ASN A 30 9.629 4.708 -7.467 1.00 0.67 H new ATOM 0 HB2 ASN A 30 8.165 6.243 -8.863 1.00 0.79 H new ATOM 0 HB3 ASN A 30 9.515 7.356 -8.955 1.00 0.79 H new ATOM 0 HD21 ASN A 30 9.353 4.930 -11.925 1.00 2.45 H new ATOM 0 HD22 ASN A 30 8.112 5.876 -11.096 1.00 2.45 H new ATOM 168 N ASP A 31 11.923 5.177 -6.676 1.00 0.63 N ATOM 169 CA ASP A 31 13.363 5.037 -6.759 1.00 0.67 C ATOM 170 C ASP A 31 13.661 3.653 -7.305 1.00 0.72 C ATOM 171 O ASP A 31 13.017 2.696 -6.877 1.00 0.81 O ATOM 172 CB ASP A 31 14.026 5.240 -5.397 1.00 0.72 C ATOM 173 CG ASP A 31 15.516 4.955 -5.431 1.00 0.92 C ATOM 174 OD1 ASP A 31 16.295 5.884 -5.736 1.00 1.45 O ATOM 175 OD2 ASP A 31 15.914 3.803 -5.155 1.00 1.57 O ATOM 0 H ASP A 31 11.481 4.507 -6.046 1.00 0.63 H new ATOM 0 HA ASP A 31 13.771 5.803 -7.419 1.00 0.67 H new ATOM 0 HB2 ASP A 31 13.862 6.265 -5.066 1.00 0.72 H new ATOM 0 HB3 ASP A 31 13.551 4.588 -4.664 1.00 0.72 H new ATOM 180 N LYS A 32 14.595 3.526 -8.230 1.00 0.78 N ATOM 181 CA LYS A 32 14.831 2.239 -8.877 1.00 0.82 C ATOM 182 C LYS A 32 15.131 1.143 -7.859 1.00 0.79 C ATOM 183 O LYS A 32 14.430 0.129 -7.809 1.00 0.81 O ATOM 184 CB LYS A 32 15.978 2.331 -9.882 1.00 0.99 C ATOM 185 CG LYS A 32 15.697 3.251 -11.061 1.00 1.10 C ATOM 186 CD LYS A 32 14.442 2.839 -11.821 1.00 1.61 C ATOM 187 CE LYS A 32 14.519 1.403 -12.324 1.00 2.22 C ATOM 188 NZ LYS A 32 15.661 1.190 -13.254 1.00 2.93 N ATOM 0 H LYS A 32 15.197 4.284 -8.550 1.00 0.78 H new ATOM 0 HA LYS A 32 13.914 1.978 -9.405 1.00 0.82 H new ATOM 0 HB2 LYS A 32 16.872 2.682 -9.366 1.00 0.99 H new ATOM 0 HB3 LYS A 32 16.198 1.332 -10.259 1.00 0.99 H new ATOM 0 HG2 LYS A 32 15.584 4.274 -10.703 1.00 1.10 H new ATOM 0 HG3 LYS A 32 16.550 3.242 -11.739 1.00 1.10 H new ATOM 0 HD2 LYS A 32 13.574 2.949 -11.171 1.00 1.61 H new ATOM 0 HD3 LYS A 32 14.294 3.511 -12.667 1.00 1.61 H new ATOM 0 HE2 LYS A 32 14.615 0.727 -11.474 1.00 2.22 H new ATOM 0 HE3 LYS A 32 13.588 1.148 -12.831 1.00 2.22 H new ATOM 0 HZ1 LYS A 32 15.623 0.223 -13.635 1.00 2.93 H new ATOM 0 HZ2 LYS A 32 15.604 1.873 -14.036 1.00 2.93 H new ATOM 0 HZ3 LYS A 32 16.556 1.325 -12.742 1.00 2.93 H new ATOM 202 N LYS A 33 16.140 1.369 -7.028 1.00 0.84 N ATOM 203 CA LYS A 33 16.592 0.350 -6.093 1.00 0.86 C ATOM 204 C LYS A 33 15.599 0.185 -4.948 1.00 0.74 C ATOM 205 O LYS A 33 15.435 -0.913 -4.419 1.00 0.70 O ATOM 206 CB LYS A 33 17.984 0.697 -5.555 1.00 1.02 C ATOM 207 CG LYS A 33 18.600 -0.389 -4.678 1.00 1.56 C ATOM 208 CD LYS A 33 18.726 -1.737 -5.393 1.00 2.24 C ATOM 209 CE LYS A 33 19.824 -1.751 -6.454 1.00 2.94 C ATOM 210 NZ LYS A 33 19.442 -1.029 -7.698 1.00 3.44 N ATOM 0 H LYS A 33 16.659 2.246 -6.983 1.00 0.84 H new ATOM 0 HA LYS A 33 16.654 -0.599 -6.626 1.00 0.86 H new ATOM 0 HB2 LYS A 33 18.649 0.891 -6.396 1.00 1.02 H new ATOM 0 HB3 LYS A 33 17.920 1.621 -4.980 1.00 1.02 H new ATOM 0 HG2 LYS A 33 19.587 -0.065 -4.348 1.00 1.56 H new ATOM 0 HG3 LYS A 33 17.991 -0.514 -3.783 1.00 1.56 H new ATOM 0 HD2 LYS A 33 18.930 -2.514 -4.657 1.00 2.24 H new ATOM 0 HD3 LYS A 33 17.773 -1.984 -5.861 1.00 2.24 H new ATOM 0 HE2 LYS A 33 20.726 -1.299 -6.041 1.00 2.94 H new ATOM 0 HE3 LYS A 33 20.069 -2.784 -6.701 1.00 2.94 H new ATOM 0 HZ1 LYS A 33 19.843 -1.521 -8.522 1.00 3.44 H new ATOM 0 HZ2 LYS A 33 18.406 -1.004 -7.781 1.00 3.44 H new ATOM 0 HZ3 LYS A 33 19.810 -0.057 -7.662 1.00 3.44 H new ATOM 224 N LEU A 34 14.941 1.273 -4.568 1.00 0.72 N ATOM 225 CA LEU A 34 13.896 1.219 -3.551 1.00 0.64 C ATOM 226 C LEU A 34 12.802 0.250 -3.995 1.00 0.58 C ATOM 227 O LEU A 34 12.449 -0.672 -3.265 1.00 0.62 O ATOM 228 CB LEU A 34 13.297 2.611 -3.344 1.00 0.63 C ATOM 229 CG LEU A 34 12.539 2.879 -2.030 1.00 0.69 C ATOM 230 CD1 LEU A 34 11.406 3.841 -2.293 1.00 1.37 C ATOM 231 CD2 LEU A 34 12.003 1.613 -1.373 1.00 1.46 C ATOM 0 H LEU A 34 15.112 2.204 -4.948 1.00 0.72 H new ATOM 0 HA LEU A 34 14.328 0.874 -2.611 1.00 0.64 H new ATOM 0 HB2 LEU A 34 14.106 3.338 -3.418 1.00 0.63 H new ATOM 0 HB3 LEU A 34 12.614 2.808 -4.171 1.00 0.63 H new ATOM 0 HG LEU A 34 13.255 3.310 -1.331 1.00 0.69 H new ATOM 0 HD11 LEU A 34 10.868 4.032 -1.364 1.00 1.37 H new ATOM 0 HD12 LEU A 34 11.807 4.778 -2.680 1.00 1.37 H new ATOM 0 HD13 LEU A 34 10.724 3.408 -3.025 1.00 1.37 H new ATOM 0 HD21 LEU A 34 11.480 1.874 -0.453 1.00 1.46 H new ATOM 0 HD22 LEU A 34 11.313 1.114 -2.053 1.00 1.46 H new ATOM 0 HD23 LEU A 34 12.832 0.944 -1.142 1.00 1.46 H new ATOM 243 N ILE A 35 12.280 0.464 -5.199 1.00 0.54 N ATOM 244 CA ILE A 35 11.229 -0.389 -5.745 1.00 0.52 C ATOM 245 C ILE A 35 11.682 -1.847 -5.775 1.00 0.55 C ATOM 246 O ILE A 35 10.889 -2.766 -5.553 1.00 0.58 O ATOM 247 CB ILE A 35 10.816 0.073 -7.163 1.00 0.56 C ATOM 248 CG1 ILE A 35 10.108 1.431 -7.086 1.00 0.57 C ATOM 249 CG2 ILE A 35 9.925 -0.958 -7.842 1.00 0.61 C ATOM 250 CD1 ILE A 35 9.669 1.972 -8.430 1.00 0.69 C ATOM 0 H ILE A 35 12.568 1.223 -5.817 1.00 0.54 H new ATOM 0 HA ILE A 35 10.359 -0.306 -5.093 1.00 0.52 H new ATOM 0 HB ILE A 35 11.719 0.177 -7.765 1.00 0.56 H new ATOM 0 HG12 ILE A 35 9.235 1.338 -6.440 1.00 0.57 H new ATOM 0 HG13 ILE A 35 10.777 2.152 -6.616 1.00 0.57 H new ATOM 0 HG21 ILE A 35 9.652 -0.604 -8.836 1.00 0.61 H new ATOM 0 HG22 ILE A 35 10.462 -1.903 -7.928 1.00 0.61 H new ATOM 0 HG23 ILE A 35 9.023 -1.106 -7.249 1.00 0.61 H new ATOM 0 HD11 ILE A 35 9.177 2.935 -8.292 1.00 0.69 H new ATOM 0 HD12 ILE A 35 10.540 2.099 -9.073 1.00 0.69 H new ATOM 0 HD13 ILE A 35 8.974 1.272 -8.894 1.00 0.69 H new ATOM 262 N GLU A 36 12.971 -2.045 -6.011 1.00 0.59 N ATOM 263 CA GLU A 36 13.551 -3.382 -6.009 1.00 0.66 C ATOM 264 C GLU A 36 13.533 -3.960 -4.597 1.00 0.62 C ATOM 265 O GLU A 36 13.037 -5.063 -4.375 1.00 0.62 O ATOM 266 CB GLU A 36 14.984 -3.352 -6.543 1.00 0.79 C ATOM 267 CG GLU A 36 15.099 -2.842 -7.970 1.00 0.76 C ATOM 268 CD GLU A 36 16.527 -2.839 -8.474 1.00 1.34 C ATOM 269 OE1 GLU A 36 17.099 -1.745 -8.653 1.00 2.15 O ATOM 270 OE2 GLU A 36 17.087 -3.932 -8.688 1.00 1.87 O ATOM 0 H GLU A 36 13.636 -1.297 -6.207 1.00 0.59 H new ATOM 0 HA GLU A 36 12.952 -4.016 -6.662 1.00 0.66 H new ATOM 0 HB2 GLU A 36 15.591 -2.722 -5.892 1.00 0.79 H new ATOM 0 HB3 GLU A 36 15.401 -4.358 -6.492 1.00 0.79 H new ATOM 0 HG2 GLU A 36 14.488 -3.464 -8.624 1.00 0.76 H new ATOM 0 HG3 GLU A 36 14.696 -1.831 -8.024 1.00 0.76 H new ATOM 277 N GLU A 37 14.057 -3.189 -3.648 1.00 0.62 N ATOM 278 CA GLU A 37 14.109 -3.599 -2.246 1.00 0.65 C ATOM 279 C GLU A 37 12.706 -3.843 -1.696 1.00 0.56 C ATOM 280 O GLU A 37 12.475 -4.794 -0.948 1.00 0.57 O ATOM 281 CB GLU A 37 14.806 -2.525 -1.408 1.00 0.73 C ATOM 282 CG GLU A 37 16.281 -2.345 -1.727 1.00 0.85 C ATOM 283 CD GLU A 37 17.116 -3.546 -1.336 1.00 1.30 C ATOM 284 OE1 GLU A 37 17.671 -4.211 -2.234 1.00 2.05 O ATOM 285 OE2 GLU A 37 17.226 -3.828 -0.124 1.00 1.84 O ATOM 0 H GLU A 37 14.456 -2.267 -3.827 1.00 0.62 H new ATOM 0 HA GLU A 37 14.674 -4.530 -2.188 1.00 0.65 H new ATOM 0 HB2 GLU A 37 14.295 -1.574 -1.558 1.00 0.73 H new ATOM 0 HB3 GLU A 37 14.702 -2.779 -0.353 1.00 0.73 H new ATOM 0 HG2 GLU A 37 16.397 -2.159 -2.795 1.00 0.85 H new ATOM 0 HG3 GLU A 37 16.656 -1.463 -1.208 1.00 0.85 H new ATOM 292 N ALA A 38 11.780 -2.972 -2.071 1.00 0.51 N ATOM 293 CA ALA A 38 10.397 -3.082 -1.638 1.00 0.46 C ATOM 294 C ALA A 38 9.776 -4.376 -2.144 1.00 0.42 C ATOM 295 O ALA A 38 9.115 -5.091 -1.392 1.00 0.43 O ATOM 296 CB ALA A 38 9.593 -1.884 -2.118 1.00 0.50 C ATOM 0 H ALA A 38 11.966 -2.175 -2.680 1.00 0.51 H new ATOM 0 HA ALA A 38 10.380 -3.097 -0.548 1.00 0.46 H new ATOM 0 HB1 ALA A 38 8.560 -1.982 -1.785 1.00 0.50 H new ATOM 0 HB2 ALA A 38 10.021 -0.970 -1.707 1.00 0.50 H new ATOM 0 HB3 ALA A 38 9.621 -1.840 -3.207 1.00 0.50 H new ATOM 302 N ARG A 39 10.003 -4.684 -3.416 1.00 0.43 N ATOM 303 CA ARG A 39 9.463 -5.902 -3.999 1.00 0.45 C ATOM 304 C ARG A 39 10.113 -7.130 -3.385 1.00 0.45 C ATOM 305 O ARG A 39 9.451 -8.132 -3.179 1.00 0.49 O ATOM 306 CB ARG A 39 9.632 -5.924 -5.517 1.00 0.53 C ATOM 307 CG ARG A 39 9.133 -7.213 -6.162 1.00 0.60 C ATOM 308 CD ARG A 39 9.197 -7.132 -7.677 1.00 0.77 C ATOM 309 NE ARG A 39 10.574 -6.991 -8.157 1.00 1.46 N ATOM 310 CZ ARG A 39 10.906 -6.527 -9.362 1.00 1.90 C ATOM 311 NH1 ARG A 39 9.967 -6.143 -10.219 1.00 1.82 N ATOM 312 NH2 ARG A 39 12.185 -6.454 -9.709 1.00 2.96 N ATOM 0 H ARG A 39 10.553 -4.111 -4.057 1.00 0.43 H new ATOM 0 HA ARG A 39 8.396 -5.919 -3.778 1.00 0.45 H new ATOM 0 HB2 ARG A 39 9.095 -5.079 -5.948 1.00 0.53 H new ATOM 0 HB3 ARG A 39 10.686 -5.789 -5.760 1.00 0.53 H new ATOM 0 HG2 ARG A 39 9.735 -8.053 -5.815 1.00 0.60 H new ATOM 0 HG3 ARG A 39 8.107 -7.405 -5.849 1.00 0.60 H new ATOM 0 HD2 ARG A 39 8.752 -8.029 -8.108 1.00 0.77 H new ATOM 0 HD3 ARG A 39 8.604 -6.285 -8.021 1.00 0.77 H new ATOM 0 HE ARG A 39 11.328 -7.266 -7.528 1.00 1.46 H new ATOM 0 HH11 ARG A 39 8.983 -6.202 -9.957 1.00 1.82 H new ATOM 0 HH12 ARG A 39 10.230 -5.789 -11.139 1.00 1.82 H new ATOM 0 HH21 ARG A 39 12.909 -6.752 -9.055 1.00 2.96 H new ATOM 0 HH22 ARG A 39 12.444 -6.100 -10.630 1.00 2.96 H new ATOM 326 N LYS A 40 11.406 -7.055 -3.085 1.00 0.49 N ATOM 327 CA LYS A 40 12.091 -8.169 -2.432 1.00 0.55 C ATOM 328 C LYS A 40 11.357 -8.571 -1.161 1.00 0.49 C ATOM 329 O LYS A 40 11.200 -9.756 -0.862 1.00 0.54 O ATOM 330 CB LYS A 40 13.532 -7.800 -2.095 1.00 0.70 C ATOM 331 CG LYS A 40 14.403 -7.559 -3.310 1.00 0.85 C ATOM 332 CD LYS A 40 15.801 -7.151 -2.898 1.00 1.27 C ATOM 333 CE LYS A 40 16.670 -6.837 -4.099 1.00 1.34 C ATOM 334 NZ LYS A 40 18.015 -6.369 -3.687 1.00 1.88 N ATOM 0 H LYS A 40 11.996 -6.246 -3.280 1.00 0.49 H new ATOM 0 HA LYS A 40 12.098 -9.010 -3.125 1.00 0.55 H new ATOM 0 HB2 LYS A 40 13.532 -6.903 -1.476 1.00 0.70 H new ATOM 0 HB3 LYS A 40 13.971 -8.599 -1.498 1.00 0.70 H new ATOM 0 HG2 LYS A 40 14.447 -8.464 -3.916 1.00 0.85 H new ATOM 0 HG3 LYS A 40 13.961 -6.780 -3.931 1.00 0.85 H new ATOM 0 HD2 LYS A 40 15.749 -6.277 -2.248 1.00 1.27 H new ATOM 0 HD3 LYS A 40 16.258 -7.953 -2.318 1.00 1.27 H new ATOM 0 HE2 LYS A 40 16.768 -7.726 -4.722 1.00 1.34 H new ATOM 0 HE3 LYS A 40 16.188 -6.073 -4.709 1.00 1.34 H new ATOM 0 HZ1 LYS A 40 18.465 -5.867 -4.479 1.00 1.88 H new ATOM 0 HZ2 LYS A 40 17.925 -5.726 -2.875 1.00 1.88 H new ATOM 0 HZ3 LYS A 40 18.600 -7.186 -3.418 1.00 1.88 H new ATOM 348 N MET A 41 10.893 -7.570 -0.426 1.00 0.45 N ATOM 349 CA MET A 41 10.134 -7.805 0.790 1.00 0.46 C ATOM 350 C MET A 41 8.712 -8.247 0.461 1.00 0.41 C ATOM 351 O MET A 41 8.267 -9.298 0.909 1.00 0.46 O ATOM 352 CB MET A 41 10.093 -6.540 1.650 1.00 0.57 C ATOM 353 CG MET A 41 11.450 -6.102 2.173 1.00 0.89 C ATOM 354 SD MET A 41 12.220 -7.326 3.252 1.00 1.10 S ATOM 355 CE MET A 41 10.998 -7.456 4.557 1.00 1.68 C ATOM 0 H MET A 41 11.031 -6.585 -0.653 1.00 0.45 H new ATOM 0 HA MET A 41 10.630 -8.599 1.348 1.00 0.46 H new ATOM 0 HB2 MET A 41 9.662 -5.728 1.063 1.00 0.57 H new ATOM 0 HB3 MET A 41 9.427 -6.710 2.496 1.00 0.57 H new ATOM 0 HG2 MET A 41 12.111 -5.903 1.329 1.00 0.89 H new ATOM 0 HG3 MET A 41 11.338 -5.165 2.718 1.00 0.89 H new ATOM 0 HE1 MET A 41 11.501 -7.496 5.523 1.00 1.68 H new ATOM 0 HE2 MET A 41 10.339 -6.588 4.526 1.00 1.68 H new ATOM 0 HE3 MET A 41 10.410 -8.363 4.416 1.00 1.68 H new ATOM 365 N ALA A 42 8.017 -7.453 -0.347 1.00 0.37 N ATOM 366 CA ALA A 42 6.600 -7.682 -0.630 1.00 0.39 C ATOM 367 C ALA A 42 6.358 -8.969 -1.415 1.00 0.42 C ATOM 368 O ALA A 42 5.378 -9.672 -1.168 1.00 0.49 O ATOM 369 CB ALA A 42 6.018 -6.500 -1.378 1.00 0.43 C ATOM 0 H ALA A 42 8.412 -6.641 -0.821 1.00 0.37 H new ATOM 0 HA ALA A 42 6.097 -7.793 0.331 1.00 0.39 H new ATOM 0 HB1 ALA A 42 4.963 -6.683 -1.583 1.00 0.43 H new ATOM 0 HB2 ALA A 42 6.119 -5.600 -0.772 1.00 0.43 H new ATOM 0 HB3 ALA A 42 6.552 -6.366 -2.319 1.00 0.43 H new ATOM 375 N GLU A 43 7.242 -9.273 -2.356 1.00 0.45 N ATOM 376 CA GLU A 43 7.112 -10.477 -3.169 1.00 0.59 C ATOM 377 C GLU A 43 7.193 -11.700 -2.256 1.00 0.63 C ATOM 378 O GLU A 43 6.362 -12.605 -2.325 1.00 0.75 O ATOM 379 CB GLU A 43 8.213 -10.520 -4.237 1.00 0.71 C ATOM 380 CG GLU A 43 7.844 -11.291 -5.499 1.00 0.87 C ATOM 381 CD GLU A 43 7.896 -12.794 -5.322 1.00 1.66 C ATOM 382 OE1 GLU A 43 6.852 -13.398 -5.008 1.00 2.36 O ATOM 383 OE2 GLU A 43 8.987 -13.378 -5.503 1.00 2.41 O ATOM 0 H GLU A 43 8.058 -8.702 -2.576 1.00 0.45 H new ATOM 0 HA GLU A 43 6.150 -10.474 -3.682 1.00 0.59 H new ATOM 0 HB2 GLU A 43 8.472 -9.498 -4.514 1.00 0.71 H new ATOM 0 HB3 GLU A 43 9.106 -10.968 -3.801 1.00 0.71 H new ATOM 0 HG2 GLU A 43 6.840 -11.004 -5.811 1.00 0.87 H new ATOM 0 HG3 GLU A 43 8.522 -11.004 -6.303 1.00 0.87 H new ATOM 390 N LYS A 44 8.183 -11.687 -1.366 1.00 0.60 N ATOM 391 CA LYS A 44 8.355 -12.749 -0.379 1.00 0.70 C ATOM 392 C LYS A 44 7.221 -12.731 0.640 1.00 0.66 C ATOM 393 O LYS A 44 6.857 -13.763 1.200 1.00 0.75 O ATOM 394 CB LYS A 44 9.690 -12.590 0.360 1.00 0.81 C ATOM 395 CG LYS A 44 10.822 -13.487 -0.138 1.00 1.39 C ATOM 396 CD LYS A 44 11.376 -13.059 -1.491 1.00 2.35 C ATOM 397 CE LYS A 44 10.517 -13.548 -2.643 1.00 3.19 C ATOM 398 NZ LYS A 44 11.132 -13.247 -3.958 1.00 3.63 N ATOM 0 H LYS A 44 8.882 -10.947 -1.309 1.00 0.60 H new ATOM 0 HA LYS A 44 8.345 -13.699 -0.913 1.00 0.70 H new ATOM 0 HB2 LYS A 44 10.010 -11.551 0.280 1.00 0.81 H new ATOM 0 HB3 LYS A 44 9.527 -12.792 1.419 1.00 0.81 H new ATOM 0 HG2 LYS A 44 11.629 -13.484 0.595 1.00 1.39 H new ATOM 0 HG3 LYS A 44 10.460 -14.513 -0.209 1.00 1.39 H new ATOM 0 HD2 LYS A 44 11.444 -11.972 -1.527 1.00 2.35 H new ATOM 0 HD3 LYS A 44 12.389 -13.445 -1.606 1.00 2.35 H new ATOM 0 HE2 LYS A 44 10.365 -14.623 -2.551 1.00 3.19 H new ATOM 0 HE3 LYS A 44 9.534 -13.081 -2.587 1.00 3.19 H new ATOM 0 HZ1 LYS A 44 10.484 -13.536 -4.719 1.00 3.63 H new ATOM 0 HZ2 LYS A 44 11.317 -12.226 -4.029 1.00 3.63 H new ATOM 0 HZ3 LYS A 44 12.027 -13.768 -4.050 1.00 3.63 H new ATOM 412 N ALA A 45 6.673 -11.548 0.880 1.00 0.57 N ATOM 413 CA ALA A 45 5.634 -11.371 1.884 1.00 0.59 C ATOM 414 C ALA A 45 4.251 -11.717 1.343 1.00 0.59 C ATOM 415 O ALA A 45 3.253 -11.596 2.055 1.00 0.66 O ATOM 416 CB ALA A 45 5.653 -9.947 2.416 1.00 0.56 C ATOM 0 H ALA A 45 6.933 -10.692 0.390 1.00 0.57 H new ATOM 0 HA ALA A 45 5.846 -12.062 2.700 1.00 0.59 H new ATOM 0 HB1 ALA A 45 4.871 -9.828 3.166 1.00 0.56 H new ATOM 0 HB2 ALA A 45 6.623 -9.740 2.868 1.00 0.56 H new ATOM 0 HB3 ALA A 45 5.478 -9.250 1.596 1.00 0.56 H new ATOM 422 N ASN A 46 4.207 -12.150 0.082 1.00 0.56 N ATOM 423 CA ASN A 46 2.958 -12.534 -0.578 1.00 0.60 C ATOM 424 C ASN A 46 2.015 -11.336 -0.660 1.00 0.54 C ATOM 425 O ASN A 46 0.808 -11.445 -0.467 1.00 0.63 O ATOM 426 CB ASN A 46 2.305 -13.725 0.154 1.00 0.76 C ATOM 427 CG ASN A 46 1.132 -14.332 -0.602 1.00 1.41 C ATOM 428 OD1 ASN A 46 1.317 -15.130 -1.523 1.00 2.03 O ATOM 429 ND2 ASN A 46 -0.082 -13.991 -0.199 1.00 2.18 N ATOM 0 H ASN A 46 5.033 -12.244 -0.509 1.00 0.56 H new ATOM 0 HA ASN A 46 3.177 -12.855 -1.596 1.00 0.60 H new ATOM 0 HB2 ASN A 46 3.058 -14.496 0.321 1.00 0.76 H new ATOM 0 HB3 ASN A 46 1.963 -13.395 1.135 1.00 0.76 H new ATOM 0 HD21 ASN A 46 -0.902 -14.392 -0.654 1.00 2.18 H new ATOM 0 HD22 ASN A 46 -0.197 -13.327 0.567 1.00 2.18 H new ATOM 436 N LEU A 47 2.582 -10.177 -0.949 1.00 0.44 N ATOM 437 CA LEU A 47 1.797 -8.964 -1.080 1.00 0.42 C ATOM 438 C LEU A 47 1.702 -8.558 -2.541 1.00 0.41 C ATOM 439 O LEU A 47 2.696 -8.599 -3.270 1.00 0.58 O ATOM 440 CB LEU A 47 2.420 -7.825 -0.272 1.00 0.43 C ATOM 441 CG LEU A 47 2.651 -8.111 1.212 1.00 0.45 C ATOM 442 CD1 LEU A 47 3.224 -6.884 1.898 1.00 0.47 C ATOM 443 CD2 LEU A 47 1.362 -8.540 1.889 1.00 0.59 C ATOM 0 H LEU A 47 3.583 -10.052 -1.097 1.00 0.44 H new ATOM 0 HA LEU A 47 0.797 -9.163 -0.693 1.00 0.42 H new ATOM 0 HB2 LEU A 47 3.376 -7.564 -0.725 1.00 0.43 H new ATOM 0 HB3 LEU A 47 1.777 -6.949 -0.358 1.00 0.43 H new ATOM 0 HG LEU A 47 3.366 -8.929 1.296 1.00 0.45 H new ATOM 0 HD11 LEU A 47 3.384 -7.099 2.954 1.00 0.47 H new ATOM 0 HD12 LEU A 47 4.174 -6.618 1.434 1.00 0.47 H new ATOM 0 HD13 LEU A 47 2.526 -6.053 1.799 1.00 0.47 H new ATOM 0 HD21 LEU A 47 1.553 -8.738 2.944 1.00 0.59 H new ATOM 0 HD22 LEU A 47 0.621 -7.746 1.797 1.00 0.59 H new ATOM 0 HD23 LEU A 47 0.985 -9.445 1.413 1.00 0.59 H new ATOM 455 N ILE A 48 0.509 -8.176 -2.970 1.00 0.30 N ATOM 456 CA ILE A 48 0.309 -7.713 -4.332 1.00 0.32 C ATOM 457 C ILE A 48 0.794 -6.273 -4.463 1.00 0.32 C ATOM 458 O ILE A 48 0.144 -5.340 -3.988 1.00 0.33 O ATOM 459 CB ILE A 48 -1.171 -7.814 -4.758 1.00 0.36 C ATOM 460 CG1 ILE A 48 -1.644 -9.268 -4.661 1.00 0.40 C ATOM 461 CG2 ILE A 48 -1.359 -7.281 -6.174 1.00 0.43 C ATOM 462 CD1 ILE A 48 -3.091 -9.474 -5.057 1.00 0.53 C ATOM 0 H ILE A 48 -0.333 -8.178 -2.395 1.00 0.30 H new ATOM 0 HA ILE A 48 0.888 -8.357 -4.994 1.00 0.32 H new ATOM 0 HB ILE A 48 -1.773 -7.204 -4.085 1.00 0.36 H new ATOM 0 HG12 ILE A 48 -1.012 -9.888 -5.297 1.00 0.40 H new ATOM 0 HG13 ILE A 48 -1.505 -9.617 -3.638 1.00 0.40 H new ATOM 0 HG21 ILE A 48 -2.409 -7.361 -6.456 1.00 0.43 H new ATOM 0 HG22 ILE A 48 -1.051 -6.236 -6.213 1.00 0.43 H new ATOM 0 HG23 ILE A 48 -0.752 -7.865 -6.866 1.00 0.43 H new ATOM 0 HD11 ILE A 48 -3.348 -10.529 -4.961 1.00 0.53 H new ATOM 0 HD12 ILE A 48 -3.734 -8.883 -4.405 1.00 0.53 H new ATOM 0 HD13 ILE A 48 -3.234 -9.158 -6.090 1.00 0.53 H new ATOM 474 N LEU A 49 1.955 -6.109 -5.082 1.00 0.34 N ATOM 475 CA LEU A 49 2.572 -4.799 -5.227 1.00 0.35 C ATOM 476 C LEU A 49 2.009 -4.069 -6.437 1.00 0.35 C ATOM 477 O LEU A 49 2.078 -4.567 -7.560 1.00 0.44 O ATOM 478 CB LEU A 49 4.092 -4.943 -5.362 1.00 0.44 C ATOM 479 CG LEU A 49 4.873 -3.631 -5.481 1.00 0.58 C ATOM 480 CD1 LEU A 49 4.772 -2.821 -4.196 1.00 0.90 C ATOM 481 CD2 LEU A 49 6.329 -3.909 -5.823 1.00 1.14 C ATOM 0 H LEU A 49 2.491 -6.873 -5.494 1.00 0.34 H new ATOM 0 HA LEU A 49 2.347 -4.214 -4.335 1.00 0.35 H new ATOM 0 HB2 LEU A 49 4.465 -5.490 -4.496 1.00 0.44 H new ATOM 0 HB3 LEU A 49 4.305 -5.553 -6.240 1.00 0.44 H new ATOM 0 HG LEU A 49 4.433 -3.044 -6.287 1.00 0.58 H new ATOM 0 HD11 LEU A 49 5.335 -1.894 -4.305 1.00 0.90 H new ATOM 0 HD12 LEU A 49 3.726 -2.589 -3.993 1.00 0.90 H new ATOM 0 HD13 LEU A 49 5.183 -3.399 -3.368 1.00 0.90 H new ATOM 0 HD21 LEU A 49 6.870 -2.966 -5.904 1.00 1.14 H new ATOM 0 HD22 LEU A 49 6.777 -4.518 -5.038 1.00 1.14 H new ATOM 0 HD23 LEU A 49 6.384 -4.442 -6.772 1.00 1.14 H new ATOM 493 N ILE A 50 1.440 -2.899 -6.201 1.00 0.33 N ATOM 494 CA ILE A 50 0.889 -2.092 -7.276 1.00 0.34 C ATOM 495 C ILE A 50 1.618 -0.755 -7.353 1.00 0.32 C ATOM 496 O ILE A 50 1.384 0.145 -6.543 1.00 0.36 O ATOM 497 CB ILE A 50 -0.624 -1.842 -7.090 1.00 0.41 C ATOM 498 CG1 ILE A 50 -1.349 -3.152 -6.758 1.00 0.48 C ATOM 499 CG2 ILE A 50 -1.206 -1.222 -8.353 1.00 0.46 C ATOM 500 CD1 ILE A 50 -2.825 -2.977 -6.471 1.00 0.94 C ATOM 0 H ILE A 50 1.348 -2.486 -5.273 1.00 0.33 H new ATOM 0 HA ILE A 50 1.029 -2.646 -8.204 1.00 0.34 H new ATOM 0 HB ILE A 50 -0.765 -1.152 -6.258 1.00 0.41 H new ATOM 0 HG12 ILE A 50 -1.230 -3.844 -7.592 1.00 0.48 H new ATOM 0 HG13 ILE A 50 -0.872 -3.611 -5.892 1.00 0.48 H new ATOM 0 HG21 ILE A 50 -2.273 -1.048 -8.215 1.00 0.46 H new ATOM 0 HG22 ILE A 50 -0.708 -0.274 -8.556 1.00 0.46 H new ATOM 0 HG23 ILE A 50 -1.054 -1.899 -9.194 1.00 0.46 H new ATOM 0 HD11 ILE A 50 -3.269 -3.946 -6.245 1.00 0.94 H new ATOM 0 HD12 ILE A 50 -2.953 -2.311 -5.618 1.00 0.94 H new ATOM 0 HD13 ILE A 50 -3.317 -2.547 -7.344 1.00 0.94 H new ATOM 512 N THR A 51 2.518 -0.639 -8.315 1.00 0.32 N ATOM 513 CA THR A 51 3.292 0.575 -8.500 1.00 0.35 C ATOM 514 C THR A 51 2.532 1.594 -9.348 1.00 0.38 C ATOM 515 O THR A 51 2.317 1.388 -10.542 1.00 0.55 O ATOM 516 CB THR A 51 4.647 0.261 -9.157 1.00 0.47 C ATOM 517 OG1 THR A 51 4.494 -0.815 -10.095 1.00 1.17 O ATOM 518 CG2 THR A 51 5.688 -0.115 -8.112 1.00 0.89 C ATOM 0 H THR A 51 2.731 -1.378 -8.985 1.00 0.32 H new ATOM 0 HA THR A 51 3.465 1.006 -7.514 1.00 0.35 H new ATOM 0 HB THR A 51 4.990 1.156 -9.677 1.00 0.47 H new ATOM 0 HG1 THR A 51 5.359 -1.011 -10.512 1.00 1.17 H new ATOM 0 HG21 THR A 51 6.636 -0.332 -8.604 1.00 0.89 H new ATOM 0 HG22 THR A 51 5.821 0.714 -7.417 1.00 0.89 H new ATOM 0 HG23 THR A 51 5.353 -0.997 -7.566 1.00 0.89 H new ATOM 526 N VAL A 52 2.114 2.678 -8.709 1.00 0.39 N ATOM 527 CA VAL A 52 1.428 3.767 -9.391 1.00 0.49 C ATOM 528 C VAL A 52 2.041 5.097 -8.977 1.00 0.58 C ATOM 529 O VAL A 52 2.475 5.252 -7.835 1.00 0.80 O ATOM 530 CB VAL A 52 -0.086 3.790 -9.072 1.00 0.59 C ATOM 531 CG1 VAL A 52 -0.804 2.618 -9.725 1.00 1.38 C ATOM 532 CG2 VAL A 52 -0.321 3.779 -7.567 1.00 1.04 C ATOM 0 H VAL A 52 2.240 2.827 -7.708 1.00 0.39 H new ATOM 0 HA VAL A 52 1.546 3.607 -10.463 1.00 0.49 H new ATOM 0 HB VAL A 52 -0.496 4.713 -9.483 1.00 0.59 H new ATOM 0 HG11 VAL A 52 -1.866 2.661 -9.483 1.00 1.38 H new ATOM 0 HG12 VAL A 52 -0.676 2.670 -10.806 1.00 1.38 H new ATOM 0 HG13 VAL A 52 -0.385 1.682 -9.354 1.00 1.38 H new ATOM 0 HG21 VAL A 52 -1.392 3.796 -7.366 1.00 1.04 H new ATOM 0 HG22 VAL A 52 0.115 2.877 -7.137 1.00 1.04 H new ATOM 0 HG23 VAL A 52 0.146 4.656 -7.119 1.00 1.04 H new ATOM 542 N GLY A 53 2.100 6.046 -9.895 1.00 0.66 N ATOM 543 CA GLY A 53 2.645 7.339 -9.554 1.00 0.75 C ATOM 544 C GLY A 53 1.708 8.472 -9.892 1.00 0.81 C ATOM 545 O GLY A 53 1.693 8.940 -11.032 1.00 1.24 O ATOM 0 H GLY A 53 1.784 5.946 -10.860 1.00 0.66 H new ATOM 0 HA2 GLY A 53 2.870 7.364 -8.488 1.00 0.75 H new ATOM 0 HA3 GLY A 53 3.588 7.482 -10.082 1.00 0.75 H new ATOM 549 N ASP A 54 0.945 8.894 -8.875 1.00 0.71 N ATOM 550 CA ASP A 54 0.029 10.045 -8.917 1.00 0.82 C ATOM 551 C ASP A 54 -1.119 9.798 -7.941 1.00 0.70 C ATOM 552 O ASP A 54 -1.447 8.645 -7.668 1.00 0.64 O ATOM 553 CB ASP A 54 -0.538 10.305 -10.319 1.00 1.08 C ATOM 554 CG ASP A 54 -1.613 11.369 -10.336 1.00 1.34 C ATOM 555 OD1 ASP A 54 -2.780 11.020 -10.575 1.00 1.75 O ATOM 556 OD2 ASP A 54 -1.298 12.551 -10.092 1.00 1.98 O ATOM 0 H ASP A 54 0.948 8.428 -7.968 1.00 0.71 H new ATOM 0 HA ASP A 54 0.599 10.930 -8.636 1.00 0.82 H new ATOM 0 HB2 ASP A 54 0.273 10.606 -10.982 1.00 1.08 H new ATOM 0 HB3 ASP A 54 -0.948 9.377 -10.717 1.00 1.08 H new ATOM 561 N GLU A 55 -1.718 10.857 -7.408 1.00 0.80 N ATOM 562 CA GLU A 55 -2.803 10.708 -6.442 1.00 0.79 C ATOM 563 C GLU A 55 -4.015 10.037 -7.082 1.00 0.69 C ATOM 564 O GLU A 55 -4.624 9.138 -6.499 1.00 0.71 O ATOM 565 CB GLU A 55 -3.195 12.068 -5.878 1.00 0.95 C ATOM 566 CG GLU A 55 -2.039 12.797 -5.215 1.00 0.90 C ATOM 567 CD GLU A 55 -2.461 14.110 -4.596 1.00 1.53 C ATOM 568 OE1 GLU A 55 -2.622 15.100 -5.343 1.00 2.16 O ATOM 569 OE2 GLU A 55 -2.635 14.165 -3.360 1.00 2.21 O ATOM 0 H GLU A 55 -1.473 11.823 -7.626 1.00 0.80 H new ATOM 0 HA GLU A 55 -2.450 10.073 -5.629 1.00 0.79 H new ATOM 0 HB2 GLU A 55 -3.593 12.687 -6.682 1.00 0.95 H new ATOM 0 HB3 GLU A 55 -3.997 11.935 -5.152 1.00 0.95 H new ATOM 0 HG2 GLU A 55 -1.605 12.159 -4.445 1.00 0.90 H new ATOM 0 HG3 GLU A 55 -1.259 12.981 -5.953 1.00 0.90 H new ATOM 576 N GLU A 56 -4.342 10.461 -8.294 1.00 0.70 N ATOM 577 CA GLU A 56 -5.451 9.881 -9.031 1.00 0.70 C ATOM 578 C GLU A 56 -5.132 8.446 -9.408 1.00 0.66 C ATOM 579 O GLU A 56 -5.989 7.570 -9.328 1.00 0.67 O ATOM 580 CB GLU A 56 -5.742 10.707 -10.280 1.00 0.82 C ATOM 581 CG GLU A 56 -6.326 12.071 -9.976 1.00 0.93 C ATOM 582 CD GLU A 56 -7.763 11.981 -9.516 1.00 1.33 C ATOM 583 OE1 GLU A 56 -8.013 12.078 -8.300 1.00 2.04 O ATOM 584 OE2 GLU A 56 -8.651 11.805 -10.373 1.00 1.89 O ATOM 0 H GLU A 56 -3.852 11.207 -8.788 1.00 0.70 H new ATOM 0 HA GLU A 56 -6.338 9.886 -8.397 1.00 0.70 H new ATOM 0 HB2 GLU A 56 -4.819 10.833 -10.846 1.00 0.82 H new ATOM 0 HB3 GLU A 56 -6.435 10.157 -10.917 1.00 0.82 H new ATOM 0 HG2 GLU A 56 -5.728 12.558 -9.205 1.00 0.93 H new ATOM 0 HG3 GLU A 56 -6.269 12.697 -10.867 1.00 0.93 H new ATOM 591 N GLU A 57 -3.884 8.208 -9.796 1.00 0.65 N ATOM 592 CA GLU A 57 -3.428 6.863 -10.122 1.00 0.65 C ATOM 593 C GLU A 57 -3.459 5.968 -8.892 1.00 0.55 C ATOM 594 O GLU A 57 -3.707 4.765 -8.997 1.00 0.52 O ATOM 595 CB GLU A 57 -2.024 6.894 -10.715 1.00 0.73 C ATOM 596 CG GLU A 57 -1.967 7.572 -12.069 1.00 1.11 C ATOM 597 CD GLU A 57 -2.934 6.957 -13.054 1.00 1.52 C ATOM 598 OE1 GLU A 57 -3.932 7.619 -13.404 1.00 2.13 O ATOM 599 OE2 GLU A 57 -2.710 5.805 -13.474 1.00 2.16 O ATOM 0 H GLU A 57 -3.170 8.930 -9.892 1.00 0.65 H new ATOM 0 HA GLU A 57 -4.109 6.452 -10.867 1.00 0.65 H new ATOM 0 HB2 GLU A 57 -1.357 7.413 -10.027 1.00 0.73 H new ATOM 0 HB3 GLU A 57 -1.653 5.873 -10.810 1.00 0.73 H new ATOM 0 HG2 GLU A 57 -2.193 8.632 -11.953 1.00 1.11 H new ATOM 0 HG3 GLU A 57 -0.954 7.504 -12.466 1.00 1.11 H new ATOM 606 N LEU A 58 -3.209 6.556 -7.728 1.00 0.52 N ATOM 607 CA LEU A 58 -3.338 5.835 -6.472 1.00 0.48 C ATOM 608 C LEU A 58 -4.768 5.346 -6.316 1.00 0.46 C ATOM 609 O LEU A 58 -5.004 4.199 -5.956 1.00 0.44 O ATOM 610 CB LEU A 58 -2.953 6.726 -5.286 1.00 0.52 C ATOM 611 CG LEU A 58 -3.047 6.057 -3.911 1.00 0.55 C ATOM 612 CD1 LEU A 58 -2.062 4.905 -3.801 1.00 0.83 C ATOM 613 CD2 LEU A 58 -2.803 7.071 -2.805 1.00 0.74 C ATOM 0 H LEU A 58 -2.917 7.528 -7.630 1.00 0.52 H new ATOM 0 HA LEU A 58 -2.659 4.982 -6.486 1.00 0.48 H new ATOM 0 HB2 LEU A 58 -1.932 7.077 -5.432 1.00 0.52 H new ATOM 0 HB3 LEU A 58 -3.596 7.606 -5.289 1.00 0.52 H new ATOM 0 HG LEU A 58 -4.055 5.657 -3.798 1.00 0.55 H new ATOM 0 HD11 LEU A 58 -2.148 4.446 -2.816 1.00 0.83 H new ATOM 0 HD12 LEU A 58 -2.283 4.163 -4.568 1.00 0.83 H new ATOM 0 HD13 LEU A 58 -1.048 5.279 -3.940 1.00 0.83 H new ATOM 0 HD21 LEU A 58 -2.874 6.577 -1.836 1.00 0.74 H new ATOM 0 HD22 LEU A 58 -1.809 7.503 -2.920 1.00 0.74 H new ATOM 0 HD23 LEU A 58 -3.551 7.862 -2.865 1.00 0.74 H new ATOM 625 N LYS A 59 -5.715 6.216 -6.642 1.00 0.52 N ATOM 626 CA LYS A 59 -7.136 5.892 -6.562 1.00 0.57 C ATOM 627 C LYS A 59 -7.510 4.756 -7.505 1.00 0.51 C ATOM 628 O LYS A 59 -8.494 4.049 -7.286 1.00 0.58 O ATOM 629 CB LYS A 59 -7.972 7.140 -6.853 1.00 0.69 C ATOM 630 CG LYS A 59 -7.913 8.172 -5.735 1.00 0.76 C ATOM 631 CD LYS A 59 -8.371 9.548 -6.196 1.00 0.97 C ATOM 632 CE LYS A 59 -9.769 9.518 -6.790 1.00 1.64 C ATOM 633 NZ LYS A 59 -10.197 10.865 -7.247 1.00 2.26 N ATOM 0 H LYS A 59 -5.522 7.163 -6.968 1.00 0.52 H new ATOM 0 HA LYS A 59 -7.349 5.550 -5.549 1.00 0.57 H new ATOM 0 HB2 LYS A 59 -7.623 7.596 -7.779 1.00 0.69 H new ATOM 0 HB3 LYS A 59 -9.009 6.846 -7.014 1.00 0.69 H new ATOM 0 HG2 LYS A 59 -8.538 7.842 -4.905 1.00 0.76 H new ATOM 0 HG3 LYS A 59 -6.892 8.238 -5.358 1.00 0.76 H new ATOM 0 HD2 LYS A 59 -8.351 10.237 -5.352 1.00 0.97 H new ATOM 0 HD3 LYS A 59 -7.671 9.932 -6.938 1.00 0.97 H new ATOM 0 HE2 LYS A 59 -9.794 8.823 -7.630 1.00 1.64 H new ATOM 0 HE3 LYS A 59 -10.473 9.144 -6.047 1.00 1.64 H new ATOM 0 HZ1 LYS A 59 -11.094 10.786 -7.767 1.00 2.26 H new ATOM 0 HZ2 LYS A 59 -10.328 11.486 -6.423 1.00 2.26 H new ATOM 0 HZ3 LYS A 59 -9.469 11.267 -7.871 1.00 2.26 H new ATOM 647 N LYS A 60 -6.707 4.566 -8.531 1.00 0.49 N ATOM 648 CA LYS A 60 -6.943 3.510 -9.498 1.00 0.48 C ATOM 649 C LYS A 60 -6.360 2.197 -8.995 1.00 0.41 C ATOM 650 O LYS A 60 -6.936 1.130 -9.206 1.00 0.41 O ATOM 651 CB LYS A 60 -6.330 3.908 -10.833 1.00 0.58 C ATOM 652 CG LYS A 60 -6.652 5.344 -11.211 1.00 0.72 C ATOM 653 CD LYS A 60 -7.899 5.460 -12.083 1.00 1.19 C ATOM 654 CE LYS A 60 -9.170 5.104 -11.331 1.00 1.91 C ATOM 655 NZ LYS A 60 -10.385 5.286 -12.167 1.00 2.35 N ATOM 0 H LYS A 60 -5.880 5.132 -8.719 1.00 0.49 H new ATOM 0 HA LYS A 60 -8.015 3.367 -9.633 1.00 0.48 H new ATOM 0 HB2 LYS A 60 -5.248 3.781 -10.786 1.00 0.58 H new ATOM 0 HB3 LYS A 60 -6.696 3.239 -11.612 1.00 0.58 H new ATOM 0 HG2 LYS A 60 -6.793 5.931 -10.303 1.00 0.72 H new ATOM 0 HG3 LYS A 60 -5.802 5.775 -11.741 1.00 0.72 H new ATOM 0 HD2 LYS A 60 -7.979 6.478 -12.463 1.00 1.19 H new ATOM 0 HD3 LYS A 60 -7.796 4.804 -12.947 1.00 1.19 H new ATOM 0 HE2 LYS A 60 -9.114 4.069 -10.995 1.00 1.91 H new ATOM 0 HE3 LYS A 60 -9.248 5.725 -10.439 1.00 1.91 H new ATOM 0 HZ1 LYS A 60 -11.228 5.032 -11.614 1.00 2.35 H new ATOM 0 HZ2 LYS A 60 -10.454 6.279 -12.467 1.00 2.35 H new ATOM 0 HZ3 LYS A 60 -10.324 4.675 -13.006 1.00 2.35 H new ATOM 669 N ALA A 61 -5.223 2.284 -8.312 1.00 0.40 N ATOM 670 CA ALA A 61 -4.618 1.122 -7.680 1.00 0.39 C ATOM 671 C ALA A 61 -5.460 0.694 -6.487 1.00 0.32 C ATOM 672 O ALA A 61 -5.650 -0.494 -6.237 1.00 0.34 O ATOM 673 CB ALA A 61 -3.196 1.436 -7.242 1.00 0.47 C ATOM 0 H ALA A 61 -4.702 3.151 -8.183 1.00 0.40 H new ATOM 0 HA ALA A 61 -4.579 0.304 -8.400 1.00 0.39 H new ATOM 0 HB1 ALA A 61 -2.758 0.556 -6.771 1.00 0.47 H new ATOM 0 HB2 ALA A 61 -2.601 1.717 -8.111 1.00 0.47 H new ATOM 0 HB3 ALA A 61 -3.209 2.261 -6.529 1.00 0.47 H new ATOM 679 N ILE A 62 -5.960 1.686 -5.762 1.00 0.31 N ATOM 680 CA ILE A 62 -6.854 1.457 -4.633 1.00 0.37 C ATOM 681 C ILE A 62 -8.110 0.717 -5.084 1.00 0.36 C ATOM 682 O ILE A 62 -8.479 -0.307 -4.507 1.00 0.38 O ATOM 683 CB ILE A 62 -7.253 2.791 -3.954 1.00 0.49 C ATOM 684 CG1 ILE A 62 -6.041 3.435 -3.279 1.00 0.45 C ATOM 685 CG2 ILE A 62 -8.362 2.574 -2.939 1.00 0.83 C ATOM 686 CD1 ILE A 62 -6.322 4.809 -2.713 1.00 0.53 C ATOM 0 H ILE A 62 -5.758 2.670 -5.939 1.00 0.31 H new ATOM 0 HA ILE A 62 -6.317 0.845 -3.908 1.00 0.37 H new ATOM 0 HB ILE A 62 -7.622 3.464 -4.728 1.00 0.49 H new ATOM 0 HG12 ILE A 62 -5.695 2.784 -2.476 1.00 0.45 H new ATOM 0 HG13 ILE A 62 -5.229 3.508 -4.003 1.00 0.45 H new ATOM 0 HG21 ILE A 62 -8.623 3.526 -2.477 1.00 0.83 H new ATOM 0 HG22 ILE A 62 -9.238 2.161 -3.440 1.00 0.83 H new ATOM 0 HG23 ILE A 62 -8.022 1.879 -2.171 1.00 0.83 H new ATOM 0 HD11 ILE A 62 -5.418 5.204 -2.250 1.00 0.53 H new ATOM 0 HD12 ILE A 62 -6.639 5.475 -3.515 1.00 0.53 H new ATOM 0 HD13 ILE A 62 -7.112 4.740 -1.965 1.00 0.53 H new ATOM 698 N LYS A 63 -8.748 1.227 -6.131 1.00 0.37 N ATOM 699 CA LYS A 63 -9.953 0.603 -6.659 1.00 0.40 C ATOM 700 C LYS A 63 -9.642 -0.778 -7.226 1.00 0.35 C ATOM 701 O LYS A 63 -10.456 -1.696 -7.120 1.00 0.40 O ATOM 702 CB LYS A 63 -10.600 1.490 -7.727 1.00 0.49 C ATOM 703 CG LYS A 63 -11.845 0.878 -8.350 1.00 0.59 C ATOM 704 CD LYS A 63 -12.617 1.883 -9.191 1.00 1.21 C ATOM 705 CE LYS A 63 -13.229 2.981 -8.335 1.00 1.94 C ATOM 706 NZ LYS A 63 -14.130 2.433 -7.286 1.00 2.76 N ATOM 0 H LYS A 63 -8.452 2.067 -6.628 1.00 0.37 H new ATOM 0 HA LYS A 63 -10.661 0.484 -5.838 1.00 0.40 H new ATOM 0 HB2 LYS A 63 -10.861 2.450 -7.282 1.00 0.49 H new ATOM 0 HB3 LYS A 63 -9.871 1.690 -8.512 1.00 0.49 H new ATOM 0 HG2 LYS A 63 -11.559 0.029 -8.972 1.00 0.59 H new ATOM 0 HG3 LYS A 63 -12.492 0.492 -7.562 1.00 0.59 H new ATOM 0 HD2 LYS A 63 -11.950 2.327 -9.930 1.00 1.21 H new ATOM 0 HD3 LYS A 63 -13.405 1.368 -9.741 1.00 1.21 H new ATOM 0 HE2 LYS A 63 -12.434 3.559 -7.864 1.00 1.94 H new ATOM 0 HE3 LYS A 63 -13.788 3.667 -8.971 1.00 1.94 H new ATOM 0 HZ1 LYS A 63 -14.739 3.192 -6.920 1.00 2.76 H new ATOM 0 HZ2 LYS A 63 -14.721 1.681 -7.694 1.00 2.76 H new ATOM 0 HZ3 LYS A 63 -13.560 2.042 -6.509 1.00 2.76 H new ATOM 720 N LYS A 64 -8.458 -0.924 -7.811 1.00 0.34 N ATOM 721 CA LYS A 64 -8.026 -2.207 -8.347 1.00 0.39 C ATOM 722 C LYS A 64 -7.838 -3.212 -7.219 1.00 0.35 C ATOM 723 O LYS A 64 -8.291 -4.350 -7.309 1.00 0.40 O ATOM 724 CB LYS A 64 -6.720 -2.052 -9.132 1.00 0.51 C ATOM 725 CG LYS A 64 -6.267 -3.329 -9.817 1.00 1.05 C ATOM 726 CD LYS A 64 -5.032 -3.098 -10.671 1.00 1.04 C ATOM 727 CE LYS A 64 -4.609 -4.368 -11.391 1.00 1.59 C ATOM 728 NZ LYS A 64 -3.480 -4.126 -12.324 1.00 2.11 N ATOM 0 H LYS A 64 -7.781 -0.169 -7.925 1.00 0.34 H new ATOM 0 HA LYS A 64 -8.798 -2.573 -9.024 1.00 0.39 H new ATOM 0 HB2 LYS A 64 -6.848 -1.272 -9.883 1.00 0.51 H new ATOM 0 HB3 LYS A 64 -5.936 -1.716 -8.454 1.00 0.51 H new ATOM 0 HG2 LYS A 64 -6.054 -4.089 -9.066 1.00 1.05 H new ATOM 0 HG3 LYS A 64 -7.074 -3.714 -10.440 1.00 1.05 H new ATOM 0 HD2 LYS A 64 -5.234 -2.314 -11.401 1.00 1.04 H new ATOM 0 HD3 LYS A 64 -4.214 -2.745 -10.043 1.00 1.04 H new ATOM 0 HE2 LYS A 64 -4.319 -5.121 -10.658 1.00 1.59 H new ATOM 0 HE3 LYS A 64 -5.457 -4.771 -11.944 1.00 1.59 H new ATOM 0 HZ1 LYS A 64 -3.222 -5.017 -12.795 1.00 2.11 H new ATOM 0 HZ2 LYS A 64 -3.764 -3.426 -13.039 1.00 2.11 H new ATOM 0 HZ3 LYS A 64 -2.662 -3.765 -11.793 1.00 2.11 H new ATOM 742 N ALA A 65 -7.176 -2.778 -6.154 1.00 0.30 N ATOM 743 CA ALA A 65 -6.952 -3.621 -4.988 1.00 0.30 C ATOM 744 C ALA A 65 -8.279 -4.054 -4.377 1.00 0.33 C ATOM 745 O ALA A 65 -8.490 -5.232 -4.093 1.00 0.38 O ATOM 746 CB ALA A 65 -6.110 -2.879 -3.963 1.00 0.31 C ATOM 0 H ALA A 65 -6.783 -1.840 -6.074 1.00 0.30 H new ATOM 0 HA ALA A 65 -6.414 -4.516 -5.302 1.00 0.30 H new ATOM 0 HB1 ALA A 65 -5.948 -3.517 -3.095 1.00 0.31 H new ATOM 0 HB2 ALA A 65 -5.149 -2.615 -4.404 1.00 0.31 H new ATOM 0 HB3 ALA A 65 -6.629 -1.971 -3.654 1.00 0.31 H new ATOM 752 N ASP A 66 -9.170 -3.089 -4.194 1.00 0.35 N ATOM 753 CA ASP A 66 -10.512 -3.348 -3.681 1.00 0.41 C ATOM 754 C ASP A 66 -11.260 -4.321 -4.588 1.00 0.40 C ATOM 755 O ASP A 66 -11.965 -5.212 -4.118 1.00 0.47 O ATOM 756 CB ASP A 66 -11.274 -2.024 -3.558 1.00 0.48 C ATOM 757 CG ASP A 66 -12.755 -2.193 -3.291 1.00 0.55 C ATOM 758 OD1 ASP A 66 -13.560 -1.905 -4.204 1.00 1.11 O ATOM 759 OD2 ASP A 66 -13.127 -2.582 -2.167 1.00 1.36 O ATOM 0 H ASP A 66 -8.985 -2.106 -4.396 1.00 0.35 H new ATOM 0 HA ASP A 66 -10.434 -3.808 -2.696 1.00 0.41 H new ATOM 0 HB2 ASP A 66 -10.834 -1.436 -2.753 1.00 0.48 H new ATOM 0 HB3 ASP A 66 -11.143 -1.453 -4.477 1.00 0.48 H new ATOM 764 N ASP A 67 -11.071 -4.161 -5.891 1.00 0.36 N ATOM 765 CA ASP A 67 -11.720 -5.017 -6.879 1.00 0.38 C ATOM 766 C ASP A 67 -11.189 -6.444 -6.800 1.00 0.40 C ATOM 767 O ASP A 67 -11.961 -7.402 -6.744 1.00 0.48 O ATOM 768 CB ASP A 67 -11.499 -4.457 -8.285 1.00 0.42 C ATOM 769 CG ASP A 67 -12.152 -5.297 -9.361 1.00 0.95 C ATOM 770 OD1 ASP A 67 -11.433 -6.040 -10.059 1.00 1.66 O ATOM 771 OD2 ASP A 67 -13.389 -5.209 -9.524 1.00 1.68 O ATOM 0 H ASP A 67 -10.469 -3.441 -6.292 1.00 0.36 H new ATOM 0 HA ASP A 67 -12.788 -5.036 -6.662 1.00 0.38 H new ATOM 0 HB2 ASP A 67 -11.894 -3.442 -8.333 1.00 0.42 H new ATOM 0 HB3 ASP A 67 -10.429 -4.392 -8.481 1.00 0.42 H new ATOM 776 N ILE A 68 -9.865 -6.579 -6.781 1.00 0.37 N ATOM 777 CA ILE A 68 -9.225 -7.888 -6.727 1.00 0.41 C ATOM 778 C ILE A 68 -9.547 -8.589 -5.406 1.00 0.41 C ATOM 779 O ILE A 68 -9.666 -9.816 -5.350 1.00 0.47 O ATOM 780 CB ILE A 68 -7.691 -7.772 -6.904 1.00 0.43 C ATOM 781 CG1 ILE A 68 -7.361 -7.130 -8.255 1.00 0.46 C ATOM 782 CG2 ILE A 68 -7.022 -9.135 -6.791 1.00 0.48 C ATOM 783 CD1 ILE A 68 -5.879 -6.898 -8.473 1.00 0.51 C ATOM 0 H ILE A 68 -9.214 -5.794 -6.802 1.00 0.37 H new ATOM 0 HA ILE A 68 -9.620 -8.483 -7.551 1.00 0.41 H new ATOM 0 HB ILE A 68 -7.305 -7.138 -6.106 1.00 0.43 H new ATOM 0 HG12 ILE A 68 -7.741 -7.768 -9.053 1.00 0.46 H new ATOM 0 HG13 ILE A 68 -7.884 -6.177 -8.332 1.00 0.46 H new ATOM 0 HG21 ILE A 68 -5.945 -9.024 -6.919 1.00 0.48 H new ATOM 0 HG22 ILE A 68 -7.228 -9.561 -5.809 1.00 0.48 H new ATOM 0 HG23 ILE A 68 -7.413 -9.797 -7.563 1.00 0.48 H new ATOM 0 HD11 ILE A 68 -5.722 -6.441 -9.450 1.00 0.51 H new ATOM 0 HD12 ILE A 68 -5.496 -6.235 -7.697 1.00 0.51 H new ATOM 0 HD13 ILE A 68 -5.351 -7.851 -8.429 1.00 0.51 H new ATOM 795 N ALA A 69 -9.701 -7.798 -4.352 1.00 0.39 N ATOM 796 CA ALA A 69 -10.054 -8.322 -3.042 1.00 0.43 C ATOM 797 C ALA A 69 -11.456 -8.919 -3.047 1.00 0.47 C ATOM 798 O ALA A 69 -11.644 -10.069 -2.656 1.00 0.53 O ATOM 799 CB ALA A 69 -9.954 -7.228 -1.988 1.00 0.46 C ATOM 0 H ALA A 69 -9.586 -6.785 -4.381 1.00 0.39 H new ATOM 0 HA ALA A 69 -9.348 -9.115 -2.798 1.00 0.43 H new ATOM 0 HB1 ALA A 69 -10.221 -7.636 -1.013 1.00 0.46 H new ATOM 0 HB2 ALA A 69 -8.933 -6.847 -1.954 1.00 0.46 H new ATOM 0 HB3 ALA A 69 -10.636 -6.416 -2.241 1.00 0.46 H new ATOM 805 N LYS A 70 -12.429 -8.139 -3.518 1.00 0.52 N ATOM 806 CA LYS A 70 -13.837 -8.549 -3.503 1.00 0.65 C ATOM 807 C LYS A 70 -14.078 -9.814 -4.291 1.00 0.63 C ATOM 808 O LYS A 70 -15.033 -10.542 -4.019 1.00 0.72 O ATOM 809 CB LYS A 70 -14.723 -7.461 -4.083 1.00 0.87 C ATOM 810 CG LYS A 70 -14.745 -6.175 -3.279 1.00 1.09 C ATOM 811 CD LYS A 70 -15.750 -5.192 -3.850 1.00 1.14 C ATOM 812 CE LYS A 70 -15.804 -3.906 -3.041 1.00 1.14 C ATOM 813 NZ LYS A 70 -16.113 -4.150 -1.609 1.00 1.50 N ATOM 0 H LYS A 70 -12.268 -7.214 -3.917 1.00 0.52 H new ATOM 0 HA LYS A 70 -14.085 -8.730 -2.457 1.00 0.65 H new ATOM 0 HB2 LYS A 70 -14.386 -7.237 -5.095 1.00 0.87 H new ATOM 0 HB3 LYS A 70 -15.741 -7.843 -4.163 1.00 0.87 H new ATOM 0 HG2 LYS A 70 -14.996 -6.395 -2.241 1.00 1.09 H new ATOM 0 HG3 LYS A 70 -13.752 -5.726 -3.278 1.00 1.09 H new ATOM 0 HD2 LYS A 70 -15.487 -4.961 -4.882 1.00 1.14 H new ATOM 0 HD3 LYS A 70 -16.738 -5.652 -3.868 1.00 1.14 H new ATOM 0 HE2 LYS A 70 -14.847 -3.390 -3.120 1.00 1.14 H new ATOM 0 HE3 LYS A 70 -16.559 -3.245 -3.465 1.00 1.14 H new ATOM 0 HZ1 LYS A 70 -16.469 -3.274 -1.177 1.00 1.50 H new ATOM 0 HZ2 LYS A 70 -16.836 -4.893 -1.532 1.00 1.50 H new ATOM 0 HZ3 LYS A 70 -15.250 -4.454 -1.115 1.00 1.50 H new ATOM 827 N LYS A 71 -13.244 -10.056 -5.283 1.00 0.62 N ATOM 828 CA LYS A 71 -13.351 -11.267 -6.067 1.00 0.76 C ATOM 829 C LYS A 71 -13.351 -12.484 -5.150 1.00 0.83 C ATOM 830 O LYS A 71 -14.129 -13.419 -5.335 1.00 1.03 O ATOM 831 CB LYS A 71 -12.196 -11.361 -7.065 1.00 0.84 C ATOM 832 CG LYS A 71 -12.169 -10.233 -8.082 1.00 1.26 C ATOM 833 CD LYS A 71 -10.983 -10.361 -9.025 1.00 1.71 C ATOM 834 CE LYS A 71 -10.946 -9.229 -10.042 1.00 2.27 C ATOM 835 NZ LYS A 71 -12.167 -9.198 -10.892 1.00 2.71 N ATOM 0 H LYS A 71 -12.488 -9.432 -5.563 1.00 0.62 H new ATOM 0 HA LYS A 71 -14.289 -11.241 -6.622 1.00 0.76 H new ATOM 0 HB2 LYS A 71 -11.254 -11.365 -6.516 1.00 0.84 H new ATOM 0 HB3 LYS A 71 -12.262 -12.312 -7.593 1.00 0.84 H new ATOM 0 HG2 LYS A 71 -13.095 -10.238 -8.657 1.00 1.26 H new ATOM 0 HG3 LYS A 71 -12.121 -9.275 -7.564 1.00 1.26 H new ATOM 0 HD2 LYS A 71 -10.058 -10.362 -8.448 1.00 1.71 H new ATOM 0 HD3 LYS A 71 -11.034 -11.317 -9.546 1.00 1.71 H new ATOM 0 HE2 LYS A 71 -10.844 -8.277 -9.520 1.00 2.27 H new ATOM 0 HE3 LYS A 71 -10.066 -9.341 -10.676 1.00 2.27 H new ATOM 0 HZ1 LYS A 71 -12.016 -8.553 -11.693 1.00 2.71 H new ATOM 0 HZ2 LYS A 71 -12.365 -10.154 -11.250 1.00 2.71 H new ATOM 0 HZ3 LYS A 71 -12.975 -8.865 -10.327 1.00 2.71 H new ATOM 917 N ALA A 77 -10.094 -7.423 4.076 1.00 0.55 N ATOM 918 CA ALA A 77 -8.805 -7.287 3.430 1.00 0.44 C ATOM 919 C ALA A 77 -8.061 -6.088 3.990 1.00 0.37 C ATOM 920 O ALA A 77 -8.676 -5.108 4.412 1.00 0.42 O ATOM 921 CB ALA A 77 -8.978 -7.152 1.924 1.00 0.71 C ATOM 0 HA ALA A 77 -8.218 -8.184 3.630 1.00 0.44 H new ATOM 0 HB1 ALA A 77 -8.000 -7.051 1.453 1.00 0.71 H new ATOM 0 HB2 ALA A 77 -9.478 -8.039 1.534 1.00 0.71 H new ATOM 0 HB3 ALA A 77 -9.580 -6.270 1.704 1.00 0.71 H new ATOM 927 N LYS A 78 -6.743 -6.173 4.012 1.00 0.35 N ATOM 928 CA LYS A 78 -5.923 -5.060 4.453 1.00 0.37 C ATOM 929 C LYS A 78 -5.015 -4.610 3.322 1.00 0.33 C ATOM 930 O LYS A 78 -4.531 -5.429 2.537 1.00 0.37 O ATOM 931 CB LYS A 78 -5.085 -5.426 5.683 1.00 0.50 C ATOM 932 CG LYS A 78 -5.905 -5.814 6.902 1.00 0.63 C ATOM 933 CD LYS A 78 -5.072 -5.751 8.174 1.00 0.89 C ATOM 934 CE LYS A 78 -3.953 -6.779 8.172 1.00 1.04 C ATOM 935 NZ LYS A 78 -4.475 -8.168 8.253 1.00 1.67 N ATOM 0 H LYS A 78 -6.218 -7.001 3.730 1.00 0.35 H new ATOM 0 HA LYS A 78 -6.589 -4.245 4.736 1.00 0.37 H new ATOM 0 HB2 LYS A 78 -4.424 -6.253 5.425 1.00 0.50 H new ATOM 0 HB3 LYS A 78 -4.450 -4.579 5.941 1.00 0.50 H new ATOM 0 HG2 LYS A 78 -6.762 -5.147 6.993 1.00 0.63 H new ATOM 0 HG3 LYS A 78 -6.298 -6.822 6.772 1.00 0.63 H new ATOM 0 HD2 LYS A 78 -4.647 -4.753 8.280 1.00 0.89 H new ATOM 0 HD3 LYS A 78 -5.716 -5.917 9.038 1.00 0.89 H new ATOM 0 HE2 LYS A 78 -3.359 -6.667 7.265 1.00 1.04 H new ATOM 0 HE3 LYS A 78 -3.287 -6.592 9.014 1.00 1.04 H new ATOM 0 HZ1 LYS A 78 -3.687 -8.826 8.419 1.00 1.67 H new ATOM 0 HZ2 LYS A 78 -5.156 -8.238 9.036 1.00 1.67 H new ATOM 0 HZ3 LYS A 78 -4.948 -8.414 7.360 1.00 1.67 H new ATOM 949 N ILE A 79 -4.794 -3.312 3.233 1.00 0.29 N ATOM 950 CA ILE A 79 -3.971 -2.754 2.175 1.00 0.29 C ATOM 951 C ILE A 79 -2.939 -1.796 2.763 1.00 0.29 C ATOM 952 O ILE A 79 -3.216 -1.090 3.731 1.00 0.40 O ATOM 953 CB ILE A 79 -4.838 -2.020 1.119 1.00 0.31 C ATOM 954 CG1 ILE A 79 -5.844 -2.988 0.490 1.00 0.37 C ATOM 955 CG2 ILE A 79 -3.965 -1.388 0.041 1.00 0.35 C ATOM 956 CD1 ILE A 79 -6.788 -2.328 -0.492 1.00 0.49 C ATOM 0 H ILE A 79 -5.174 -2.622 3.882 1.00 0.29 H new ATOM 0 HA ILE A 79 -3.455 -3.576 1.678 1.00 0.29 H new ATOM 0 HB ILE A 79 -5.385 -1.223 1.623 1.00 0.31 H new ATOM 0 HG12 ILE A 79 -5.300 -3.783 -0.020 1.00 0.37 H new ATOM 0 HG13 ILE A 79 -6.427 -3.458 1.282 1.00 0.37 H new ATOM 0 HG21 ILE A 79 -4.597 -0.880 -0.687 1.00 0.35 H new ATOM 0 HG22 ILE A 79 -3.287 -0.668 0.498 1.00 0.35 H new ATOM 0 HG23 ILE A 79 -3.386 -2.164 -0.460 1.00 0.35 H new ATOM 0 HD11 ILE A 79 -7.471 -3.074 -0.897 1.00 0.49 H new ATOM 0 HD12 ILE A 79 -7.359 -1.552 0.018 1.00 0.49 H new ATOM 0 HD13 ILE A 79 -6.214 -1.882 -1.305 1.00 0.49 H new ATOM 968 N LEU A 80 -1.743 -1.806 2.203 1.00 0.23 N ATOM 969 CA LEU A 80 -0.694 -0.888 2.616 1.00 0.28 C ATOM 970 C LEU A 80 -0.483 0.142 1.515 1.00 0.30 C ATOM 971 O LEU A 80 -0.232 -0.218 0.370 1.00 0.45 O ATOM 972 CB LEU A 80 0.606 -1.669 2.880 1.00 0.40 C ATOM 973 CG LEU A 80 1.647 -0.990 3.788 1.00 0.57 C ATOM 974 CD1 LEU A 80 2.803 -1.939 4.055 1.00 1.22 C ATOM 975 CD2 LEU A 80 2.179 0.299 3.179 1.00 1.40 C ATOM 0 H LEU A 80 -1.472 -2.444 1.455 1.00 0.23 H new ATOM 0 HA LEU A 80 -0.982 -0.379 3.536 1.00 0.28 H new ATOM 0 HB2 LEU A 80 0.342 -2.629 3.323 1.00 0.40 H new ATOM 0 HB3 LEU A 80 1.077 -1.880 1.920 1.00 0.40 H new ATOM 0 HG LEU A 80 1.148 -0.739 4.724 1.00 0.57 H new ATOM 0 HD11 LEU A 80 3.534 -1.450 4.698 1.00 1.22 H new ATOM 0 HD12 LEU A 80 2.430 -2.837 4.547 1.00 1.22 H new ATOM 0 HD13 LEU A 80 3.275 -2.212 3.111 1.00 1.22 H new ATOM 0 HD21 LEU A 80 2.911 0.745 3.853 1.00 1.40 H new ATOM 0 HD22 LEU A 80 2.653 0.081 2.222 1.00 1.40 H new ATOM 0 HD23 LEU A 80 1.355 0.996 3.025 1.00 1.40 H new ATOM 987 N ILE A 81 -0.610 1.415 1.847 1.00 0.27 N ATOM 988 CA ILE A 81 -0.338 2.472 0.888 1.00 0.27 C ATOM 989 C ILE A 81 0.929 3.219 1.281 1.00 0.27 C ATOM 990 O ILE A 81 0.917 4.060 2.176 1.00 0.33 O ATOM 991 CB ILE A 81 -1.518 3.464 0.756 1.00 0.29 C ATOM 992 CG1 ILE A 81 -2.739 2.758 0.160 1.00 0.28 C ATOM 993 CG2 ILE A 81 -1.125 4.656 -0.108 1.00 0.34 C ATOM 994 CD1 ILE A 81 -3.971 3.636 0.069 1.00 0.38 C ATOM 0 H ILE A 81 -0.899 1.741 2.769 1.00 0.27 H new ATOM 0 HA ILE A 81 -0.201 2.000 -0.085 1.00 0.27 H new ATOM 0 HB ILE A 81 -1.773 3.829 1.751 1.00 0.29 H new ATOM 0 HG12 ILE A 81 -2.487 2.397 -0.837 1.00 0.28 H new ATOM 0 HG13 ILE A 81 -2.972 1.883 0.766 1.00 0.28 H new ATOM 0 HG21 ILE A 81 -1.969 5.341 -0.188 1.00 0.34 H new ATOM 0 HG22 ILE A 81 -0.280 5.173 0.347 1.00 0.34 H new ATOM 0 HG23 ILE A 81 -0.845 4.308 -1.102 1.00 0.34 H new ATOM 0 HD11 ILE A 81 -4.793 3.066 -0.363 1.00 0.38 H new ATOM 0 HD12 ILE A 81 -4.250 3.976 1.066 1.00 0.38 H new ATOM 0 HD13 ILE A 81 -3.757 4.499 -0.562 1.00 0.38 H new ATOM 1006 N LEU A 82 2.020 2.875 0.625 1.00 0.27 N ATOM 1007 CA LEU A 82 3.303 3.508 0.866 1.00 0.31 C ATOM 1008 C LEU A 82 3.462 4.657 -0.122 1.00 0.34 C ATOM 1009 O LEU A 82 3.122 4.516 -1.292 1.00 0.59 O ATOM 1010 CB LEU A 82 4.420 2.465 0.687 1.00 0.43 C ATOM 1011 CG LEU A 82 5.744 2.730 1.422 1.00 0.76 C ATOM 1012 CD1 LEU A 82 6.483 3.922 0.835 1.00 1.61 C ATOM 1013 CD2 LEU A 82 5.494 2.934 2.909 1.00 1.08 C ATOM 0 H LEU A 82 2.043 2.148 -0.091 1.00 0.27 H new ATOM 0 HA LEU A 82 3.362 3.901 1.881 1.00 0.31 H new ATOM 0 HB2 LEU A 82 4.037 1.499 1.015 1.00 0.43 H new ATOM 0 HB3 LEU A 82 4.635 2.378 -0.378 1.00 0.43 H new ATOM 0 HG LEU A 82 6.378 1.853 1.289 1.00 0.76 H new ATOM 0 HD11 LEU A 82 7.414 4.078 1.381 1.00 1.61 H new ATOM 0 HD12 LEU A 82 6.706 3.731 -0.215 1.00 1.61 H new ATOM 0 HD13 LEU A 82 5.860 4.813 0.918 1.00 1.61 H new ATOM 0 HD21 LEU A 82 6.441 3.120 3.415 1.00 1.08 H new ATOM 0 HD22 LEU A 82 4.832 3.788 3.053 1.00 1.08 H new ATOM 0 HD23 LEU A 82 5.030 2.040 3.326 1.00 1.08 H new ATOM 1025 N LEU A 83 3.938 5.798 0.339 1.00 0.35 N ATOM 1026 CA LEU A 83 4.093 6.948 -0.538 1.00 0.42 C ATOM 1027 C LEU A 83 5.012 7.994 0.066 1.00 0.44 C ATOM 1028 O LEU A 83 5.318 7.958 1.259 1.00 0.55 O ATOM 1029 CB LEU A 83 2.719 7.572 -0.850 1.00 0.45 C ATOM 1030 CG LEU A 83 1.685 7.565 0.293 1.00 0.49 C ATOM 1031 CD1 LEU A 83 2.176 8.355 1.494 1.00 1.17 C ATOM 1032 CD2 LEU A 83 0.357 8.123 -0.197 1.00 1.13 C ATOM 0 H LEU A 83 4.222 5.955 1.306 1.00 0.35 H new ATOM 0 HA LEU A 83 4.548 6.596 -1.464 1.00 0.42 H new ATOM 0 HB2 LEU A 83 2.876 8.605 -1.162 1.00 0.45 H new ATOM 0 HB3 LEU A 83 2.290 7.044 -1.702 1.00 0.45 H new ATOM 0 HG LEU A 83 1.544 6.531 0.610 1.00 0.49 H new ATOM 0 HD11 LEU A 83 1.421 8.328 2.280 1.00 1.17 H new ATOM 0 HD12 LEU A 83 3.102 7.916 1.865 1.00 1.17 H new ATOM 0 HD13 LEU A 83 2.357 9.389 1.200 1.00 1.17 H new ATOM 0 HD21 LEU A 83 -0.365 8.113 0.619 1.00 1.13 H new ATOM 0 HD22 LEU A 83 0.498 9.147 -0.544 1.00 1.13 H new ATOM 0 HD23 LEU A 83 -0.015 7.510 -1.018 1.00 1.13 H new ATOM 1044 N GLU A 84 5.469 8.912 -0.772 1.00 0.43 N ATOM 1045 CA GLU A 84 6.118 10.109 -0.280 1.00 0.45 C ATOM 1046 C GLU A 84 5.059 11.192 -0.171 1.00 0.47 C ATOM 1047 O GLU A 84 4.680 11.800 -1.176 1.00 0.54 O ATOM 1048 CB GLU A 84 7.203 10.567 -1.259 1.00 0.55 C ATOM 1049 CG GLU A 84 8.099 9.450 -1.771 1.00 1.29 C ATOM 1050 CD GLU A 84 9.068 8.947 -0.731 1.00 1.47 C ATOM 1051 OE1 GLU A 84 9.933 9.739 -0.297 1.00 1.94 O ATOM 1052 OE2 GLU A 84 8.994 7.757 -0.372 1.00 2.04 O ATOM 0 H GLU A 84 5.402 8.849 -1.788 1.00 0.43 H new ATOM 0 HA GLU A 84 6.583 9.912 0.686 1.00 0.45 H new ATOM 0 HB2 GLU A 84 6.726 11.053 -2.110 1.00 0.55 H new ATOM 0 HB3 GLU A 84 7.823 11.318 -0.770 1.00 0.55 H new ATOM 0 HG2 GLU A 84 7.478 8.621 -2.112 1.00 1.29 H new ATOM 0 HG3 GLU A 84 8.657 9.807 -2.637 1.00 1.29 H new ATOM 1059 N LYS A 85 4.586 11.435 1.039 1.00 0.45 N ATOM 1060 CA LYS A 85 3.530 12.409 1.266 1.00 0.56 C ATOM 1061 C LYS A 85 3.286 12.577 2.761 1.00 0.53 C ATOM 1062 O LYS A 85 3.417 11.614 3.514 1.00 0.53 O ATOM 1063 CB LYS A 85 2.237 11.940 0.589 1.00 0.74 C ATOM 1064 CG LYS A 85 1.159 13.002 0.507 1.00 1.00 C ATOM 1065 CD LYS A 85 -0.125 12.442 -0.079 1.00 0.91 C ATOM 1066 CE LYS A 85 -1.156 13.532 -0.307 1.00 1.66 C ATOM 1067 NZ LYS A 85 -0.722 14.504 -1.345 1.00 2.02 N ATOM 0 H LYS A 85 4.918 10.969 1.884 1.00 0.45 H new ATOM 0 HA LYS A 85 3.837 13.365 0.842 1.00 0.56 H new ATOM 0 HB2 LYS A 85 2.471 11.597 -0.419 1.00 0.74 H new ATOM 0 HB3 LYS A 85 1.845 11.082 1.134 1.00 0.74 H new ATOM 0 HG2 LYS A 85 0.963 13.402 1.502 1.00 1.00 H new ATOM 0 HG3 LYS A 85 1.509 13.832 -0.107 1.00 1.00 H new ATOM 0 HD2 LYS A 85 0.093 11.943 -1.023 1.00 0.91 H new ATOM 0 HD3 LYS A 85 -0.534 11.688 0.593 1.00 0.91 H new ATOM 0 HE2 LYS A 85 -2.101 13.079 -0.607 1.00 1.66 H new ATOM 0 HE3 LYS A 85 -1.338 14.059 0.629 1.00 1.66 H new ATOM 0 HZ1 LYS A 85 -0.603 15.443 -0.913 1.00 2.02 H new ATOM 0 HZ2 LYS A 85 0.182 14.194 -1.754 1.00 2.02 H new ATOM 0 HZ3 LYS A 85 -1.441 14.556 -2.094 1.00 2.02 H new ATOM 1081 N PRO A 86 2.954 13.787 3.221 1.00 0.60 N ATOM 1082 CA PRO A 86 2.432 13.982 4.570 1.00 0.62 C ATOM 1083 C PRO A 86 0.997 13.469 4.658 1.00 0.61 C ATOM 1084 O PRO A 86 0.110 13.963 3.957 1.00 0.68 O ATOM 1085 CB PRO A 86 2.476 15.504 4.774 1.00 0.74 C ATOM 1086 CG PRO A 86 3.248 16.046 3.615 1.00 0.85 C ATOM 1087 CD PRO A 86 3.081 15.057 2.499 1.00 0.74 C ATOM 0 HA PRO A 86 3.003 13.445 5.327 1.00 0.62 H new ATOM 0 HB2 PRO A 86 1.471 15.924 4.805 1.00 0.74 H new ATOM 0 HB3 PRO A 86 2.957 15.759 5.718 1.00 0.74 H new ATOM 0 HG2 PRO A 86 2.874 17.028 3.324 1.00 0.85 H new ATOM 0 HG3 PRO A 86 4.300 16.169 3.872 1.00 0.85 H new ATOM 0 HD2 PRO A 86 2.199 15.271 1.895 1.00 0.74 H new ATOM 0 HD3 PRO A 86 3.937 15.057 1.824 1.00 0.74 H new ATOM 1095 N VAL A 87 0.768 12.480 5.508 1.00 0.59 N ATOM 1096 CA VAL A 87 -0.539 11.851 5.599 1.00 0.62 C ATOM 1097 C VAL A 87 -1.221 12.167 6.926 1.00 0.62 C ATOM 1098 O VAL A 87 -0.623 12.050 7.996 1.00 0.66 O ATOM 1099 CB VAL A 87 -0.454 10.319 5.405 1.00 0.69 C ATOM 1100 CG1 VAL A 87 -0.080 9.986 3.971 1.00 1.17 C ATOM 1101 CG2 VAL A 87 0.547 9.697 6.371 1.00 0.88 C ATOM 0 H VAL A 87 1.469 12.097 6.143 1.00 0.59 H new ATOM 0 HA VAL A 87 -1.140 12.267 4.790 1.00 0.62 H new ATOM 0 HB VAL A 87 -1.437 9.898 5.619 1.00 0.69 H new ATOM 0 HG11 VAL A 87 -0.024 8.904 3.851 1.00 1.17 H new ATOM 0 HG12 VAL A 87 -0.835 10.387 3.295 1.00 1.17 H new ATOM 0 HG13 VAL A 87 0.889 10.427 3.736 1.00 1.17 H new ATOM 0 HG21 VAL A 87 0.585 8.619 6.211 1.00 0.88 H new ATOM 0 HG22 VAL A 87 1.534 10.125 6.197 1.00 0.88 H new ATOM 0 HG23 VAL A 87 0.238 9.901 7.396 1.00 0.88 H new ATOM 1111 N SER A 88 -2.469 12.593 6.843 1.00 0.69 N ATOM 1112 CA SER A 88 -3.253 12.896 8.026 1.00 0.76 C ATOM 1113 C SER A 88 -4.196 11.735 8.349 1.00 0.72 C ATOM 1114 O SER A 88 -4.536 10.958 7.454 1.00 0.69 O ATOM 1115 CB SER A 88 -4.050 14.182 7.798 1.00 0.92 C ATOM 1116 OG SER A 88 -3.213 15.216 7.304 1.00 1.44 O ATOM 0 H SER A 88 -2.963 12.737 5.963 1.00 0.69 H new ATOM 0 HA SER A 88 -2.582 13.039 8.873 1.00 0.76 H new ATOM 0 HB2 SER A 88 -4.858 13.993 7.091 1.00 0.92 H new ATOM 0 HB3 SER A 88 -4.512 14.499 8.733 1.00 0.92 H new ATOM 0 HG SER A 88 -3.744 16.028 7.164 1.00 1.44 H new ATOM 1122 N PRO A 89 -4.607 11.581 9.619 1.00 0.78 N ATOM 1123 CA PRO A 89 -5.532 10.514 10.032 1.00 0.79 C ATOM 1124 C PRO A 89 -6.752 10.399 9.115 1.00 0.67 C ATOM 1125 O PRO A 89 -7.056 9.318 8.603 1.00 0.65 O ATOM 1126 CB PRO A 89 -5.950 10.947 11.434 1.00 0.98 C ATOM 1127 CG PRO A 89 -4.781 11.708 11.952 1.00 1.14 C ATOM 1128 CD PRO A 89 -4.187 12.413 10.763 1.00 0.92 C ATOM 0 HA PRO A 89 -5.066 9.530 9.991 1.00 0.79 H new ATOM 0 HB2 PRO A 89 -6.847 11.566 11.408 1.00 0.98 H new ATOM 0 HB3 PRO A 89 -6.175 10.087 12.065 1.00 0.98 H new ATOM 0 HG2 PRO A 89 -5.088 12.422 12.716 1.00 1.14 H new ATOM 0 HG3 PRO A 89 -4.054 11.040 12.413 1.00 1.14 H new ATOM 0 HD2 PRO A 89 -4.560 13.433 10.675 1.00 0.92 H new ATOM 0 HD3 PRO A 89 -3.101 12.476 10.836 1.00 0.92 H new ATOM 1136 N GLU A 90 -7.426 11.526 8.883 1.00 0.71 N ATOM 1137 CA GLU A 90 -8.608 11.557 8.026 1.00 0.72 C ATOM 1138 C GLU A 90 -8.273 11.083 6.614 1.00 0.64 C ATOM 1139 O GLU A 90 -9.079 10.416 5.972 1.00 0.68 O ATOM 1140 CB GLU A 90 -9.198 12.968 7.969 1.00 0.87 C ATOM 1141 CG GLU A 90 -10.354 13.102 6.988 1.00 1.24 C ATOM 1142 CD GLU A 90 -10.855 14.522 6.850 1.00 1.76 C ATOM 1143 OE1 GLU A 90 -10.169 15.342 6.199 1.00 2.43 O ATOM 1144 OE2 GLU A 90 -11.946 14.823 7.374 1.00 2.37 O ATOM 0 H GLU A 90 -7.171 12.431 9.279 1.00 0.71 H new ATOM 0 HA GLU A 90 -9.346 10.880 8.456 1.00 0.72 H new ATOM 0 HB2 GLU A 90 -9.541 13.250 8.964 1.00 0.87 H new ATOM 0 HB3 GLU A 90 -8.413 13.671 7.691 1.00 0.87 H new ATOM 0 HG2 GLU A 90 -10.037 12.739 6.011 1.00 1.24 H new ATOM 0 HG3 GLU A 90 -11.175 12.464 7.314 1.00 1.24 H new ATOM 1151 N TYR A 91 -7.075 11.423 6.148 1.00 0.62 N ATOM 1152 CA TYR A 91 -6.633 11.057 4.805 1.00 0.62 C ATOM 1153 C TYR A 91 -6.548 9.539 4.664 1.00 0.52 C ATOM 1154 O TYR A 91 -6.911 8.979 3.629 1.00 0.52 O ATOM 1155 CB TYR A 91 -5.274 11.695 4.501 1.00 0.72 C ATOM 1156 CG TYR A 91 -4.776 11.447 3.095 1.00 1.20 C ATOM 1157 CD1 TYR A 91 -3.812 10.479 2.835 1.00 1.63 C ATOM 1158 CD2 TYR A 91 -5.270 12.184 2.027 1.00 2.22 C ATOM 1159 CE1 TYR A 91 -3.356 10.253 1.551 1.00 2.36 C ATOM 1160 CE2 TYR A 91 -4.819 11.963 0.741 1.00 3.00 C ATOM 1161 CZ TYR A 91 -3.864 10.998 0.506 1.00 2.89 C ATOM 1162 OH TYR A 91 -3.411 10.781 -0.778 1.00 3.78 O ATOM 0 H TYR A 91 -6.389 11.955 6.684 1.00 0.62 H new ATOM 0 HA TYR A 91 -7.364 11.430 4.087 1.00 0.62 H new ATOM 0 HB2 TYR A 91 -5.345 12.770 4.666 1.00 0.72 H new ATOM 0 HB3 TYR A 91 -4.538 11.312 5.208 1.00 0.72 H new ATOM 0 HD1 TYR A 91 -3.413 9.894 3.651 1.00 1.63 H new ATOM 0 HD2 TYR A 91 -6.019 12.942 2.205 1.00 2.22 H new ATOM 0 HE1 TYR A 91 -2.606 9.498 1.366 1.00 2.36 H new ATOM 0 HE2 TYR A 91 -5.214 12.545 -0.079 1.00 3.00 H new ATOM 0 HH TYR A 91 -3.871 11.388 -1.394 1.00 3.78 H new ATOM 1172 N GLU A 92 -6.083 8.881 5.718 1.00 0.48 N ATOM 1173 CA GLU A 92 -5.990 7.432 5.733 1.00 0.42 C ATOM 1174 C GLU A 92 -7.379 6.814 5.695 1.00 0.42 C ATOM 1175 O GLU A 92 -7.644 5.896 4.919 1.00 0.43 O ATOM 1176 CB GLU A 92 -5.239 6.966 6.980 1.00 0.48 C ATOM 1177 CG GLU A 92 -5.180 5.456 7.123 1.00 0.49 C ATOM 1178 CD GLU A 92 -4.225 5.015 8.207 1.00 0.65 C ATOM 1179 OE1 GLU A 92 -4.666 4.827 9.358 1.00 1.46 O ATOM 1180 OE2 GLU A 92 -3.022 4.866 7.919 1.00 1.14 O ATOM 0 H GLU A 92 -5.764 9.332 6.575 1.00 0.48 H new ATOM 0 HA GLU A 92 -5.440 7.108 4.850 1.00 0.42 H new ATOM 0 HB2 GLU A 92 -4.223 7.360 6.951 1.00 0.48 H new ATOM 0 HB3 GLU A 92 -5.720 7.388 7.863 1.00 0.48 H new ATOM 0 HG2 GLU A 92 -6.177 5.076 7.345 1.00 0.49 H new ATOM 0 HG3 GLU A 92 -4.875 5.016 6.174 1.00 0.49 H new ATOM 1187 N LYS A 93 -8.272 7.347 6.518 1.00 0.47 N ATOM 1188 CA LYS A 93 -9.625 6.831 6.619 1.00 0.54 C ATOM 1189 C LYS A 93 -10.429 7.217 5.382 1.00 0.53 C ATOM 1190 O LYS A 93 -11.466 6.633 5.093 1.00 0.55 O ATOM 1191 CB LYS A 93 -10.308 7.366 7.881 1.00 0.69 C ATOM 1192 CG LYS A 93 -9.462 7.246 9.144 1.00 1.51 C ATOM 1193 CD LYS A 93 -9.017 5.815 9.414 1.00 2.25 C ATOM 1194 CE LYS A 93 -10.193 4.892 9.690 1.00 2.80 C ATOM 1195 NZ LYS A 93 -9.745 3.542 10.127 1.00 3.25 N ATOM 0 H LYS A 93 -8.079 8.142 7.128 1.00 0.47 H new ATOM 0 HA LYS A 93 -9.578 5.744 6.683 1.00 0.54 H new ATOM 0 HB2 LYS A 93 -10.564 8.414 7.726 1.00 0.69 H new ATOM 0 HB3 LYS A 93 -11.244 6.828 8.031 1.00 0.69 H new ATOM 0 HG2 LYS A 93 -8.584 7.885 9.051 1.00 1.51 H new ATOM 0 HG3 LYS A 93 -10.034 7.612 9.997 1.00 1.51 H new ATOM 0 HD2 LYS A 93 -8.458 5.442 8.556 1.00 2.25 H new ATOM 0 HD3 LYS A 93 -8.339 5.802 10.267 1.00 2.25 H new ATOM 0 HE2 LYS A 93 -10.827 5.331 10.460 1.00 2.80 H new ATOM 0 HE3 LYS A 93 -10.801 4.800 8.790 1.00 2.80 H new ATOM 0 HZ1 LYS A 93 -10.575 2.942 10.306 1.00 3.25 H new ATOM 0 HZ2 LYS A 93 -9.161 3.112 9.382 1.00 3.25 H new ATOM 0 HZ3 LYS A 93 -9.186 3.627 11.000 1.00 3.25 H new ATOM 1209 N LYS A 94 -9.931 8.208 4.656 1.00 0.54 N ATOM 1210 CA LYS A 94 -10.563 8.656 3.424 1.00 0.59 C ATOM 1211 C LYS A 94 -10.371 7.615 2.334 1.00 0.52 C ATOM 1212 O LYS A 94 -11.310 7.258 1.620 1.00 0.57 O ATOM 1213 CB LYS A 94 -9.968 9.995 2.987 1.00 0.67 C ATOM 1214 CG LYS A 94 -10.699 10.641 1.827 1.00 1.19 C ATOM 1215 CD LYS A 94 -10.086 11.981 1.461 1.00 1.48 C ATOM 1216 CE LYS A 94 -10.949 12.728 0.461 1.00 1.97 C ATOM 1217 NZ LYS A 94 -12.288 13.057 1.019 1.00 2.44 N ATOM 0 H LYS A 94 -9.084 8.720 4.902 1.00 0.54 H new ATOM 0 HA LYS A 94 -11.631 8.788 3.600 1.00 0.59 H new ATOM 0 HB2 LYS A 94 -9.976 10.679 3.835 1.00 0.67 H new ATOM 0 HB3 LYS A 94 -8.925 9.845 2.708 1.00 0.67 H new ATOM 0 HG2 LYS A 94 -10.670 9.978 0.962 1.00 1.19 H new ATOM 0 HG3 LYS A 94 -11.748 10.779 2.088 1.00 1.19 H new ATOM 0 HD2 LYS A 94 -9.963 12.585 2.360 1.00 1.48 H new ATOM 0 HD3 LYS A 94 -9.092 11.826 1.042 1.00 1.48 H new ATOM 0 HE2 LYS A 94 -10.445 13.647 0.162 1.00 1.97 H new ATOM 0 HE3 LYS A 94 -11.069 12.123 -0.438 1.00 1.97 H new ATOM 0 HZ1 LYS A 94 -12.491 14.065 0.863 1.00 2.44 H new ATOM 0 HZ2 LYS A 94 -13.013 12.481 0.545 1.00 2.44 H new ATOM 0 HZ3 LYS A 94 -12.298 12.856 2.039 1.00 2.44 H new ATOM 1231 N LEU A 95 -9.146 7.124 2.220 1.00 0.47 N ATOM 1232 CA LEU A 95 -8.834 6.076 1.262 1.00 0.45 C ATOM 1233 C LEU A 95 -9.372 4.742 1.770 1.00 0.39 C ATOM 1234 O LEU A 95 -9.758 3.871 0.989 1.00 0.41 O ATOM 1235 CB LEU A 95 -7.321 5.999 1.038 1.00 0.46 C ATOM 1236 CG LEU A 95 -6.666 7.313 0.592 1.00 0.54 C ATOM 1237 CD1 LEU A 95 -5.172 7.125 0.392 1.00 1.14 C ATOM 1238 CD2 LEU A 95 -7.312 7.832 -0.684 1.00 1.12 C ATOM 0 H LEU A 95 -8.352 7.435 2.780 1.00 0.47 H new ATOM 0 HA LEU A 95 -9.309 6.306 0.308 1.00 0.45 H new ATOM 0 HB2 LEU A 95 -6.848 5.670 1.963 1.00 0.46 H new ATOM 0 HB3 LEU A 95 -7.118 5.236 0.287 1.00 0.46 H new ATOM 0 HG LEU A 95 -6.819 8.052 1.378 1.00 0.54 H new ATOM 0 HD11 LEU A 95 -4.726 8.068 0.076 1.00 1.14 H new ATOM 0 HD12 LEU A 95 -4.717 6.804 1.329 1.00 1.14 H new ATOM 0 HD13 LEU A 95 -5.000 6.368 -0.373 1.00 1.14 H new ATOM 0 HD21 LEU A 95 -6.832 8.764 -0.982 1.00 1.12 H new ATOM 0 HD22 LEU A 95 -7.195 7.094 -1.477 1.00 1.12 H new ATOM 0 HD23 LEU A 95 -8.373 8.010 -0.508 1.00 1.12 H new ATOM 1250 N GLN A 96 -9.407 4.608 3.092 1.00 0.37 N ATOM 1251 CA GLN A 96 -9.994 3.446 3.748 1.00 0.40 C ATOM 1252 C GLN A 96 -11.491 3.398 3.446 1.00 0.45 C ATOM 1253 O GLN A 96 -12.077 2.333 3.326 1.00 0.49 O ATOM 1254 CB GLN A 96 -9.737 3.547 5.261 1.00 0.53 C ATOM 1255 CG GLN A 96 -9.834 2.244 6.055 1.00 0.60 C ATOM 1256 CD GLN A 96 -11.257 1.828 6.379 1.00 1.30 C ATOM 1257 OE1 GLN A 96 -11.840 2.294 7.358 1.00 1.79 O ATOM 1258 NE2 GLN A 96 -11.802 0.905 5.608 1.00 2.20 N ATOM 0 H GLN A 96 -9.029 5.301 3.738 1.00 0.37 H new ATOM 0 HA GLN A 96 -9.541 2.527 3.376 1.00 0.40 H new ATOM 0 HB2 GLN A 96 -8.742 3.966 5.411 1.00 0.53 H new ATOM 0 HB3 GLN A 96 -10.449 4.257 5.682 1.00 0.53 H new ATOM 0 HG2 GLN A 96 -9.353 1.447 5.488 1.00 0.60 H new ATOM 0 HG3 GLN A 96 -9.277 2.354 6.985 1.00 0.60 H new ATOM 0 HE21 GLN A 96 -11.288 0.543 4.805 1.00 2.20 H new ATOM 0 HE22 GLN A 96 -12.737 0.554 5.815 1.00 2.20 H new ATOM 1267 N LYS A 97 -12.100 4.568 3.316 1.00 0.52 N ATOM 1268 CA LYS A 97 -13.516 4.659 2.975 1.00 0.64 C ATOM 1269 C LYS A 97 -13.725 4.461 1.470 1.00 0.65 C ATOM 1270 O LYS A 97 -14.773 3.984 1.036 1.00 0.72 O ATOM 1271 CB LYS A 97 -14.075 6.016 3.434 1.00 0.78 C ATOM 1272 CG LYS A 97 -15.594 6.132 3.376 1.00 1.44 C ATOM 1273 CD LYS A 97 -16.086 6.607 2.017 1.00 1.95 C ATOM 1274 CE LYS A 97 -17.601 6.716 1.983 1.00 2.39 C ATOM 1275 NZ LYS A 97 -18.101 7.165 0.657 1.00 2.87 N ATOM 0 H LYS A 97 -11.637 5.468 3.441 1.00 0.52 H new ATOM 0 HA LYS A 97 -14.056 3.866 3.492 1.00 0.64 H new ATOM 0 HB2 LYS A 97 -13.749 6.200 4.458 1.00 0.78 H new ATOM 0 HB3 LYS A 97 -13.640 6.801 2.815 1.00 0.78 H new ATOM 0 HG2 LYS A 97 -16.039 5.163 3.603 1.00 1.44 H new ATOM 0 HG3 LYS A 97 -15.933 6.826 4.145 1.00 1.44 H new ATOM 0 HD2 LYS A 97 -15.645 7.577 1.787 1.00 1.95 H new ATOM 0 HD3 LYS A 97 -15.752 5.914 1.245 1.00 1.95 H new ATOM 0 HE2 LYS A 97 -18.039 5.748 2.226 1.00 2.39 H new ATOM 0 HE3 LYS A 97 -17.931 7.417 2.750 1.00 2.39 H new ATOM 0 HZ1 LYS A 97 -19.139 7.225 0.680 1.00 2.87 H new ATOM 0 HZ2 LYS A 97 -17.705 8.101 0.435 1.00 2.87 H new ATOM 0 HZ3 LYS A 97 -17.810 6.484 -0.073 1.00 2.87 H new ATOM 1289 N TYR A 98 -12.717 4.815 0.681 1.00 0.63 N ATOM 1290 CA TYR A 98 -12.811 4.729 -0.774 1.00 0.68 C ATOM 1291 C TYR A 98 -12.826 3.272 -1.238 1.00 0.64 C ATOM 1292 O TYR A 98 -13.554 2.908 -2.162 1.00 0.73 O ATOM 1293 CB TYR A 98 -11.646 5.484 -1.421 1.00 0.71 C ATOM 1294 CG TYR A 98 -11.779 5.645 -2.919 1.00 1.02 C ATOM 1295 CD1 TYR A 98 -11.045 4.854 -3.793 1.00 1.91 C ATOM 1296 CD2 TYR A 98 -12.644 6.588 -3.457 1.00 1.78 C ATOM 1297 CE1 TYR A 98 -11.168 4.999 -5.161 1.00 2.65 C ATOM 1298 CE2 TYR A 98 -12.774 6.739 -4.823 1.00 2.50 C ATOM 1299 CZ TYR A 98 -12.035 5.943 -5.670 1.00 2.73 C ATOM 1300 OH TYR A 98 -12.164 6.090 -7.030 1.00 3.64 O ATOM 0 H TYR A 98 -11.823 5.165 1.024 1.00 0.63 H new ATOM 0 HA TYR A 98 -13.748 5.190 -1.085 1.00 0.68 H new ATOM 0 HB2 TYR A 98 -11.567 6.471 -0.965 1.00 0.71 H new ATOM 0 HB3 TYR A 98 -10.718 4.956 -1.203 1.00 0.71 H new ATOM 0 HD1 TYR A 98 -10.367 4.113 -3.396 1.00 1.91 H new ATOM 0 HD2 TYR A 98 -13.225 7.214 -2.796 1.00 1.78 H new ATOM 0 HE1 TYR A 98 -10.589 4.377 -5.828 1.00 2.65 H new ATOM 0 HE2 TYR A 98 -13.452 7.477 -5.225 1.00 2.50 H new ATOM 0 HH TYR A 98 -12.815 6.796 -7.222 1.00 3.64 H new ATOM 1310 N ALA A 99 -12.016 2.449 -0.593 1.00 0.56 N ATOM 1311 CA ALA A 99 -11.952 1.027 -0.895 1.00 0.56 C ATOM 1312 C ALA A 99 -12.318 0.236 0.339 1.00 0.52 C ATOM 1313 O ALA A 99 -11.880 0.576 1.432 1.00 0.60 O ATOM 1314 CB ALA A 99 -10.552 0.651 -1.339 1.00 0.59 C ATOM 0 H ALA A 99 -11.386 2.745 0.152 1.00 0.56 H new ATOM 0 HA ALA A 99 -12.652 0.801 -1.699 1.00 0.56 H new ATOM 0 HB1 ALA A 99 -10.515 -0.415 -1.562 1.00 0.59 H new ATOM 0 HB2 ALA A 99 -10.289 1.218 -2.232 1.00 0.59 H new ATOM 0 HB3 ALA A 99 -9.844 0.879 -0.542 1.00 0.59 H new ATOM 1320 N ASP A 100 -13.100 -0.825 0.193 1.00 0.54 N ATOM 1321 CA ASP A 100 -13.464 -1.592 1.368 1.00 0.53 C ATOM 1322 C ASP A 100 -12.287 -2.469 1.747 1.00 0.47 C ATOM 1323 O ASP A 100 -12.108 -3.570 1.223 1.00 0.51 O ATOM 1324 CB ASP A 100 -14.696 -2.470 1.108 1.00 0.66 C ATOM 1325 CG ASP A 100 -15.926 -1.685 0.705 1.00 0.99 C ATOM 1326 OD1 ASP A 100 -16.236 -1.641 -0.507 1.00 1.77 O ATOM 1327 OD2 ASP A 100 -16.599 -1.124 1.592 1.00 1.73 O ATOM 0 H ASP A 100 -13.480 -1.162 -0.692 1.00 0.54 H new ATOM 0 HA ASP A 100 -13.713 -0.904 2.176 1.00 0.53 H new ATOM 0 HB2 ASP A 100 -14.460 -3.188 0.323 1.00 0.66 H new ATOM 0 HB3 ASP A 100 -14.920 -3.043 2.008 1.00 0.66 H new ATOM 1332 N ALA A 101 -11.516 -1.972 2.691 1.00 0.42 N ATOM 1333 CA ALA A 101 -10.339 -2.649 3.193 1.00 0.39 C ATOM 1334 C ALA A 101 -9.757 -1.843 4.328 1.00 0.37 C ATOM 1335 O ALA A 101 -9.881 -0.617 4.347 1.00 0.50 O ATOM 1336 CB ALA A 101 -9.303 -2.827 2.090 1.00 0.43 C ATOM 0 H ALA A 101 -11.692 -1.072 3.138 1.00 0.42 H new ATOM 0 HA ALA A 101 -10.622 -3.640 3.549 1.00 0.39 H new ATOM 0 HB1 ALA A 101 -8.428 -3.338 2.492 1.00 0.43 H new ATOM 0 HB2 ALA A 101 -9.730 -3.420 1.282 1.00 0.43 H new ATOM 0 HB3 ALA A 101 -9.008 -1.850 1.706 1.00 0.43 H new ATOM 1342 N GLU A 102 -9.125 -2.508 5.265 1.00 0.31 N ATOM 1343 CA GLU A 102 -8.423 -1.808 6.310 1.00 0.31 C ATOM 1344 C GLU A 102 -7.070 -1.371 5.789 1.00 0.29 C ATOM 1345 O GLU A 102 -6.084 -2.105 5.881 1.00 0.36 O ATOM 1346 CB GLU A 102 -8.254 -2.686 7.536 1.00 0.41 C ATOM 1347 CG GLU A 102 -9.562 -3.117 8.162 1.00 0.76 C ATOM 1348 CD GLU A 102 -10.436 -1.945 8.550 1.00 1.16 C ATOM 1349 OE1 GLU A 102 -11.560 -1.831 8.017 1.00 1.77 O ATOM 1350 OE2 GLU A 102 -9.996 -1.126 9.388 1.00 1.77 O ATOM 0 H GLU A 102 -9.083 -3.525 5.324 1.00 0.31 H new ATOM 0 HA GLU A 102 -9.005 -0.935 6.604 1.00 0.31 H new ATOM 0 HB2 GLU A 102 -7.684 -3.573 7.260 1.00 0.41 H new ATOM 0 HB3 GLU A 102 -7.666 -2.147 8.279 1.00 0.41 H new ATOM 0 HG2 GLU A 102 -10.103 -3.753 7.462 1.00 0.76 H new ATOM 0 HG3 GLU A 102 -9.356 -3.720 9.046 1.00 0.76 H new ATOM 1357 N VAL A 103 -7.034 -0.185 5.216 1.00 0.27 N ATOM 1358 CA VAL A 103 -5.814 0.320 4.619 1.00 0.32 C ATOM 1359 C VAL A 103 -5.012 1.107 5.637 1.00 0.32 C ATOM 1360 O VAL A 103 -5.567 1.766 6.521 1.00 0.38 O ATOM 1361 CB VAL A 103 -6.075 1.197 3.364 1.00 0.44 C ATOM 1362 CG1 VAL A 103 -6.499 2.608 3.731 1.00 0.70 C ATOM 1363 CG2 VAL A 103 -4.840 1.250 2.485 1.00 1.05 C ATOM 0 H VAL A 103 -7.833 0.446 5.151 1.00 0.27 H new ATOM 0 HA VAL A 103 -5.245 -0.550 4.293 1.00 0.32 H new ATOM 0 HB VAL A 103 -6.894 0.731 2.816 1.00 0.44 H new ATOM 0 HG11 VAL A 103 -6.670 3.184 2.822 1.00 0.70 H new ATOM 0 HG12 VAL A 103 -7.418 2.571 4.316 1.00 0.70 H new ATOM 0 HG13 VAL A 103 -5.713 3.083 4.319 1.00 0.70 H new ATOM 0 HG21 VAL A 103 -5.042 1.869 1.611 1.00 1.05 H new ATOM 0 HG22 VAL A 103 -4.011 1.677 3.048 1.00 1.05 H new ATOM 0 HG23 VAL A 103 -4.579 0.242 2.163 1.00 1.05 H new ATOM 1373 N ARG A 104 -3.709 0.999 5.524 1.00 0.33 N ATOM 1374 CA ARG A 104 -2.807 1.792 6.318 1.00 0.37 C ATOM 1375 C ARG A 104 -1.918 2.603 5.394 1.00 0.33 C ATOM 1376 O ARG A 104 -1.150 2.046 4.606 1.00 0.38 O ATOM 1377 CB ARG A 104 -1.981 0.905 7.242 1.00 0.46 C ATOM 1378 CG ARG A 104 -1.197 -0.167 6.523 1.00 1.23 C ATOM 1379 CD ARG A 104 -0.438 -1.026 7.502 1.00 1.26 C ATOM 1380 NE ARG A 104 -1.331 -1.719 8.426 1.00 1.50 N ATOM 1381 CZ ARG A 104 -0.922 -2.392 9.497 1.00 1.82 C ATOM 1382 NH1 ARG A 104 0.373 -2.487 9.775 1.00 1.78 N ATOM 1383 NH2 ARG A 104 -1.809 -2.977 10.290 1.00 2.71 N ATOM 0 H ARG A 104 -3.247 0.358 4.879 1.00 0.33 H new ATOM 0 HA ARG A 104 -3.378 2.473 6.949 1.00 0.37 H new ATOM 0 HB2 ARG A 104 -1.289 1.530 7.807 1.00 0.46 H new ATOM 0 HB3 ARG A 104 -2.646 0.432 7.965 1.00 0.46 H new ATOM 0 HG2 ARG A 104 -1.875 -0.788 5.937 1.00 1.23 H new ATOM 0 HG3 ARG A 104 -0.501 0.294 5.822 1.00 1.23 H new ATOM 0 HD2 ARG A 104 0.158 -1.757 6.957 1.00 1.26 H new ATOM 0 HD3 ARG A 104 0.257 -0.405 8.067 1.00 1.26 H new ATOM 0 HE ARG A 104 -2.333 -1.685 8.238 1.00 1.50 H new ATOM 0 HH11 ARG A 104 1.059 -2.042 9.165 1.00 1.78 H new ATOM 0 HH12 ARG A 104 0.681 -3.005 10.598 1.00 1.78 H new ATOM 0 HH21 ARG A 104 -2.805 -2.911 10.078 1.00 2.71 H new ATOM 0 HH22 ARG A 104 -1.496 -3.494 11.112 1.00 2.71 H new ATOM 1397 N VAL A 105 -2.044 3.915 5.447 1.00 0.31 N ATOM 1398 CA VAL A 105 -1.243 4.754 4.587 1.00 0.31 C ATOM 1399 C VAL A 105 0.047 5.132 5.320 1.00 0.31 C ATOM 1400 O VAL A 105 0.010 5.608 6.459 1.00 0.41 O ATOM 1401 CB VAL A 105 -2.001 6.016 4.101 1.00 0.39 C ATOM 1402 CG1 VAL A 105 -3.321 5.626 3.450 1.00 0.64 C ATOM 1403 CG2 VAL A 105 -2.233 7.008 5.228 1.00 0.71 C ATOM 0 H VAL A 105 -2.683 4.413 6.066 1.00 0.31 H new ATOM 0 HA VAL A 105 -1.005 4.186 3.687 1.00 0.31 H new ATOM 0 HB VAL A 105 -1.373 6.509 3.359 1.00 0.39 H new ATOM 0 HG11 VAL A 105 -3.840 6.524 3.115 1.00 0.64 H new ATOM 0 HG12 VAL A 105 -3.128 4.978 2.595 1.00 0.64 H new ATOM 0 HG13 VAL A 105 -3.941 5.097 4.174 1.00 0.64 H new ATOM 0 HG21 VAL A 105 -2.767 7.877 4.844 1.00 0.71 H new ATOM 0 HG22 VAL A 105 -2.825 6.536 6.012 1.00 0.71 H new ATOM 0 HG23 VAL A 105 -1.274 7.324 5.638 1.00 0.71 H new ATOM 1413 N ARG A 106 1.187 4.868 4.705 1.00 0.31 N ATOM 1414 CA ARG A 106 2.467 5.078 5.368 1.00 0.35 C ATOM 1415 C ARG A 106 3.395 5.925 4.509 1.00 0.29 C ATOM 1416 O ARG A 106 3.419 5.798 3.286 1.00 0.31 O ATOM 1417 CB ARG A 106 3.133 3.734 5.698 1.00 0.46 C ATOM 1418 CG ARG A 106 2.333 2.861 6.659 1.00 0.79 C ATOM 1419 CD ARG A 106 2.122 3.547 8.003 1.00 0.87 C ATOM 1420 NE ARG A 106 1.318 2.735 8.921 1.00 1.30 N ATOM 1421 CZ ARG A 106 0.025 2.955 9.174 1.00 1.70 C ATOM 1422 NH1 ARG A 106 -0.621 3.923 8.542 1.00 1.88 N ATOM 1423 NH2 ARG A 106 -0.621 2.195 10.051 1.00 2.63 N ATOM 0 H ARG A 106 1.255 4.510 3.752 1.00 0.31 H new ATOM 0 HA ARG A 106 2.277 5.613 6.298 1.00 0.35 H new ATOM 0 HB2 ARG A 106 3.293 3.183 4.771 1.00 0.46 H new ATOM 0 HB3 ARG A 106 4.116 3.924 6.129 1.00 0.46 H new ATOM 0 HG2 ARG A 106 1.366 2.624 6.216 1.00 0.79 H new ATOM 0 HG3 ARG A 106 2.854 1.916 6.811 1.00 0.79 H new ATOM 0 HD2 ARG A 106 3.090 3.755 8.458 1.00 0.87 H new ATOM 0 HD3 ARG A 106 1.631 4.507 7.845 1.00 0.87 H new ATOM 0 HE ARG A 106 1.773 1.955 9.395 1.00 1.30 H new ATOM 0 HH11 ARG A 106 -0.131 4.502 7.860 1.00 1.88 H new ATOM 0 HH12 ARG A 106 -1.608 4.089 8.737 1.00 1.88 H new ATOM 0 HH21 ARG A 106 -0.130 1.442 10.533 1.00 2.63 H new ATOM 0 HH22 ARG A 106 -1.608 2.364 10.243 1.00 2.63 H new ATOM 1437 N THR A 107 4.161 6.778 5.166 1.00 0.34 N ATOM 1438 CA THR A 107 5.082 7.667 4.488 1.00 0.36 C ATOM 1439 C THR A 107 6.510 7.387 4.949 1.00 0.40 C ATOM 1440 O THR A 107 6.754 7.131 6.131 1.00 0.56 O ATOM 1441 CB THR A 107 4.710 9.148 4.749 1.00 0.50 C ATOM 1442 OG1 THR A 107 5.596 10.030 4.050 1.00 0.56 O ATOM 1443 CG2 THR A 107 4.735 9.476 6.236 1.00 0.64 C ATOM 0 H THR A 107 4.161 6.872 6.182 1.00 0.34 H new ATOM 0 HA THR A 107 5.014 7.485 3.415 1.00 0.36 H new ATOM 0 HB THR A 107 3.695 9.293 4.378 1.00 0.50 H new ATOM 0 HG1 THR A 107 5.120 10.853 3.815 1.00 0.56 H new ATOM 0 HG21 THR A 107 4.469 10.523 6.382 1.00 0.64 H new ATOM 0 HG22 THR A 107 4.019 8.843 6.760 1.00 0.64 H new ATOM 0 HG23 THR A 107 5.735 9.297 6.631 1.00 0.64 H new ATOM 1451 N VAL A 108 7.449 7.402 4.020 1.00 0.44 N ATOM 1452 CA VAL A 108 8.834 7.100 4.344 1.00 0.60 C ATOM 1453 C VAL A 108 9.756 8.220 3.894 1.00 0.68 C ATOM 1454 O VAL A 108 9.347 9.124 3.166 1.00 0.86 O ATOM 1455 CB VAL A 108 9.298 5.776 3.698 1.00 0.71 C ATOM 1456 CG1 VAL A 108 8.455 4.612 4.192 1.00 1.34 C ATOM 1457 CG2 VAL A 108 9.252 5.862 2.181 1.00 0.97 C ATOM 0 H VAL A 108 7.280 7.619 3.038 1.00 0.44 H new ATOM 0 HA VAL A 108 8.886 6.998 5.428 1.00 0.60 H new ATOM 0 HB VAL A 108 10.332 5.603 3.995 1.00 0.71 H new ATOM 0 HG11 VAL A 108 8.799 3.689 3.724 1.00 1.34 H new ATOM 0 HG12 VAL A 108 8.550 4.527 5.275 1.00 1.34 H new ATOM 0 HG13 VAL A 108 7.410 4.783 3.932 1.00 1.34 H new ATOM 0 HG21 VAL A 108 9.584 4.916 1.753 1.00 0.97 H new ATOM 0 HG22 VAL A 108 8.231 6.068 1.859 1.00 0.97 H new ATOM 0 HG23 VAL A 108 9.908 6.664 1.842 1.00 0.97 H new ATOM 1467 N THR A 109 10.993 8.166 4.354 1.00 0.68 N ATOM 1468 CA THR A 109 12.003 9.126 3.951 1.00 0.78 C ATOM 1469 C THR A 109 13.206 8.401 3.355 1.00 0.71 C ATOM 1470 O THR A 109 14.182 9.026 2.939 1.00 0.88 O ATOM 1471 CB THR A 109 12.458 9.996 5.146 1.00 0.96 C ATOM 1472 OG1 THR A 109 12.950 9.166 6.211 1.00 1.22 O ATOM 1473 CG2 THR A 109 11.310 10.852 5.665 1.00 1.11 C ATOM 0 H THR A 109 11.324 7.461 5.013 1.00 0.68 H new ATOM 0 HA THR A 109 11.563 9.781 3.199 1.00 0.78 H new ATOM 0 HB THR A 109 13.256 10.650 4.796 1.00 0.96 H new ATOM 0 HG1 THR A 109 12.915 8.226 5.936 1.00 1.22 H new ATOM 0 HG21 THR A 109 11.656 11.454 6.505 1.00 1.11 H new ATOM 0 HG22 THR A 109 10.957 11.508 4.869 1.00 1.11 H new ATOM 0 HG23 THR A 109 10.494 10.207 5.992 1.00 1.11 H new ATOM 1481 N SER A 110 13.117 7.072 3.305 1.00 0.59 N ATOM 1482 CA SER A 110 14.206 6.245 2.814 1.00 0.54 C ATOM 1483 C SER A 110 13.728 4.821 2.528 1.00 0.49 C ATOM 1484 O SER A 110 12.740 4.373 3.117 1.00 0.51 O ATOM 1485 CB SER A 110 15.355 6.225 3.829 1.00 0.62 C ATOM 1486 OG SER A 110 14.894 5.873 5.124 1.00 0.93 O ATOM 0 H SER A 110 12.294 6.548 3.602 1.00 0.59 H new ATOM 0 HA SER A 110 14.565 6.676 1.880 1.00 0.54 H new ATOM 0 HB2 SER A 110 16.116 5.514 3.506 1.00 0.62 H new ATOM 0 HB3 SER A 110 15.829 7.206 3.864 1.00 0.62 H new ATOM 0 HG SER A 110 14.062 6.354 5.317 1.00 0.93 H new ATOM 1492 N PRO A 111 14.398 4.108 1.609 1.00 0.49 N ATOM 1493 CA PRO A 111 14.012 2.747 1.202 1.00 0.49 C ATOM 1494 C PRO A 111 13.711 1.795 2.366 1.00 0.45 C ATOM 1495 O PRO A 111 12.660 1.144 2.384 1.00 0.50 O ATOM 1496 CB PRO A 111 15.242 2.262 0.438 1.00 0.58 C ATOM 1497 CG PRO A 111 15.827 3.496 -0.148 1.00 0.60 C ATOM 1498 CD PRO A 111 15.582 4.585 0.862 1.00 0.54 C ATOM 0 HA PRO A 111 13.083 2.762 0.632 1.00 0.49 H new ATOM 0 HB2 PRO A 111 15.949 1.763 1.100 1.00 0.58 H new ATOM 0 HB3 PRO A 111 14.971 1.545 -0.337 1.00 0.58 H new ATOM 0 HG2 PRO A 111 16.893 3.371 -0.338 1.00 0.60 H new ATOM 0 HG3 PRO A 111 15.359 3.736 -1.103 1.00 0.60 H new ATOM 0 HD2 PRO A 111 16.441 4.723 1.519 1.00 0.54 H new ATOM 0 HD3 PRO A 111 15.392 5.544 0.379 1.00 0.54 H new ATOM 1506 N ASP A 112 14.616 1.734 3.337 1.00 0.47 N ATOM 1507 CA ASP A 112 14.554 0.711 4.383 1.00 0.49 C ATOM 1508 C ASP A 112 13.289 0.811 5.229 1.00 0.43 C ATOM 1509 O ASP A 112 12.791 -0.201 5.723 1.00 0.45 O ATOM 1510 CB ASP A 112 15.786 0.779 5.282 1.00 0.60 C ATOM 1511 CG ASP A 112 15.860 -0.388 6.245 1.00 1.16 C ATOM 1512 OD1 ASP A 112 15.615 -0.185 7.453 1.00 1.71 O ATOM 1513 OD2 ASP A 112 16.169 -1.517 5.799 1.00 2.04 O ATOM 0 H ASP A 112 15.402 2.379 3.424 1.00 0.47 H new ATOM 0 HA ASP A 112 14.530 -0.252 3.872 1.00 0.49 H new ATOM 0 HB2 ASP A 112 16.684 0.795 4.664 1.00 0.60 H new ATOM 0 HB3 ASP A 112 15.771 1.712 5.846 1.00 0.60 H new ATOM 1518 N GLU A 113 12.762 2.017 5.385 1.00 0.43 N ATOM 1519 CA GLU A 113 11.537 2.211 6.150 1.00 0.45 C ATOM 1520 C GLU A 113 10.384 1.443 5.518 1.00 0.37 C ATOM 1521 O GLU A 113 9.598 0.801 6.214 1.00 0.40 O ATOM 1522 CB GLU A 113 11.183 3.689 6.236 1.00 0.57 C ATOM 1523 CG GLU A 113 12.187 4.513 7.018 1.00 0.78 C ATOM 1524 CD GLU A 113 11.878 5.987 6.948 1.00 1.46 C ATOM 1525 OE1 GLU A 113 12.390 6.654 6.029 1.00 2.21 O ATOM 1526 OE2 GLU A 113 11.106 6.483 7.792 1.00 2.13 O ATOM 0 H GLU A 113 13.160 2.871 4.995 1.00 0.43 H new ATOM 0 HA GLU A 113 11.707 1.831 7.157 1.00 0.45 H new ATOM 0 HB2 GLU A 113 11.102 4.093 5.227 1.00 0.57 H new ATOM 0 HB3 GLU A 113 10.202 3.792 6.700 1.00 0.57 H new ATOM 0 HG2 GLU A 113 12.189 4.191 8.059 1.00 0.78 H new ATOM 0 HG3 GLU A 113 13.188 4.333 6.627 1.00 0.78 H new ATOM 1533 N ALA A 114 10.304 1.497 4.192 1.00 0.37 N ATOM 1534 CA ALA A 114 9.264 0.787 3.458 1.00 0.39 C ATOM 1535 C ALA A 114 9.389 -0.716 3.680 1.00 0.36 C ATOM 1536 O ALA A 114 8.392 -1.420 3.820 1.00 0.38 O ATOM 1537 CB ALA A 114 9.341 1.116 1.974 1.00 0.48 C ATOM 0 H ALA A 114 10.948 2.026 3.604 1.00 0.37 H new ATOM 0 HA ALA A 114 8.293 1.111 3.832 1.00 0.39 H new ATOM 0 HB1 ALA A 114 8.558 0.578 1.441 1.00 0.48 H new ATOM 0 HB2 ALA A 114 9.206 2.188 1.832 1.00 0.48 H new ATOM 0 HB3 ALA A 114 10.315 0.818 1.585 1.00 0.48 H new ATOM 1543 N LYS A 115 10.632 -1.187 3.739 1.00 0.38 N ATOM 1544 CA LYS A 115 10.915 -2.595 3.993 1.00 0.45 C ATOM 1545 C LYS A 115 10.364 -3.015 5.354 1.00 0.39 C ATOM 1546 O LYS A 115 9.871 -4.132 5.520 1.00 0.44 O ATOM 1547 CB LYS A 115 12.425 -2.845 3.933 1.00 0.57 C ATOM 1548 CG LYS A 115 13.017 -2.671 2.541 1.00 0.75 C ATOM 1549 CD LYS A 115 14.546 -2.671 2.546 1.00 0.77 C ATOM 1550 CE LYS A 115 15.138 -3.924 3.177 1.00 1.22 C ATOM 1551 NZ LYS A 115 15.244 -3.818 4.659 1.00 1.53 N ATOM 0 H LYS A 115 11.463 -0.609 3.613 1.00 0.38 H new ATOM 0 HA LYS A 115 10.426 -3.193 3.224 1.00 0.45 H new ATOM 0 HB2 LYS A 115 12.925 -2.162 4.619 1.00 0.57 H new ATOM 0 HB3 LYS A 115 12.632 -3.857 4.283 1.00 0.57 H new ATOM 0 HG2 LYS A 115 12.660 -3.474 1.896 1.00 0.75 H new ATOM 0 HG3 LYS A 115 12.659 -1.735 2.113 1.00 0.75 H new ATOM 0 HD2 LYS A 115 14.907 -2.581 1.522 1.00 0.77 H new ATOM 0 HD3 LYS A 115 14.902 -1.795 3.088 1.00 0.77 H new ATOM 0 HE2 LYS A 115 14.519 -4.784 2.920 1.00 1.22 H new ATOM 0 HE3 LYS A 115 16.127 -4.106 2.757 1.00 1.22 H new ATOM 0 HZ1 LYS A 115 16.108 -4.300 4.981 1.00 1.53 H new ATOM 0 HZ2 LYS A 115 15.284 -2.816 4.933 1.00 1.53 H new ATOM 0 HZ3 LYS A 115 14.414 -4.265 5.099 1.00 1.53 H new ATOM 1565 N ARG A 116 10.443 -2.103 6.316 1.00 0.36 N ATOM 1566 CA ARG A 116 9.898 -2.337 7.649 1.00 0.39 C ATOM 1567 C ARG A 116 8.381 -2.432 7.604 1.00 0.35 C ATOM 1568 O ARG A 116 7.797 -3.405 8.082 1.00 0.42 O ATOM 1569 CB ARG A 116 10.297 -1.210 8.599 1.00 0.50 C ATOM 1570 CG ARG A 116 11.769 -1.193 8.968 1.00 1.14 C ATOM 1571 CD ARG A 116 12.088 0.003 9.845 1.00 1.65 C ATOM 1572 NE ARG A 116 11.170 0.105 10.978 1.00 2.40 N ATOM 1573 CZ ARG A 116 10.663 1.256 11.422 1.00 3.29 C ATOM 1574 NH1 ARG A 116 11.020 2.403 10.855 1.00 3.61 N ATOM 1575 NH2 ARG A 116 9.803 1.264 12.432 1.00 4.21 N ATOM 0 H ARG A 116 10.882 -1.190 6.197 1.00 0.36 H new ATOM 0 HA ARG A 116 10.307 -3.280 8.011 1.00 0.39 H new ATOM 0 HB2 ARG A 116 10.039 -0.256 8.140 1.00 0.50 H new ATOM 0 HB3 ARG A 116 9.707 -1.295 9.512 1.00 0.50 H new ATOM 0 HG2 ARG A 116 12.029 -2.113 9.491 1.00 1.14 H new ATOM 0 HG3 ARG A 116 12.376 -1.159 8.063 1.00 1.14 H new ATOM 0 HD2 ARG A 116 13.111 -0.078 10.212 1.00 1.65 H new ATOM 0 HD3 ARG A 116 12.034 0.915 9.250 1.00 1.65 H new ATOM 0 HE ARG A 116 10.901 -0.754 11.457 1.00 2.40 H new ATOM 0 HH11 ARG A 116 11.682 2.404 10.079 1.00 3.61 H new ATOM 0 HH12 ARG A 116 10.632 3.283 11.195 1.00 3.61 H new ATOM 0 HH21 ARG A 116 9.526 0.387 12.873 1.00 4.21 H new ATOM 0 HH22 ARG A 116 9.418 2.147 12.767 1.00 4.21 H new ATOM 1589 N TRP A 117 7.752 -1.417 7.015 1.00 0.31 N ATOM 1590 CA TRP A 117 6.295 -1.348 6.946 1.00 0.32 C ATOM 1591 C TRP A 117 5.719 -2.584 6.267 1.00 0.30 C ATOM 1592 O TRP A 117 4.682 -3.102 6.684 1.00 0.36 O ATOM 1593 CB TRP A 117 5.840 -0.084 6.208 1.00 0.36 C ATOM 1594 CG TRP A 117 6.197 1.192 6.916 1.00 0.40 C ATOM 1595 CD1 TRP A 117 6.943 2.223 6.423 1.00 0.47 C ATOM 1596 CD2 TRP A 117 5.823 1.570 8.246 1.00 0.56 C ATOM 1597 NE1 TRP A 117 7.059 3.215 7.366 1.00 0.53 N ATOM 1598 CE2 TRP A 117 6.379 2.840 8.492 1.00 0.60 C ATOM 1599 CE3 TRP A 117 5.074 0.959 9.254 1.00 0.76 C ATOM 1600 CZ2 TRP A 117 6.209 3.506 9.703 1.00 0.80 C ATOM 1601 CZ3 TRP A 117 4.903 1.623 10.451 1.00 0.98 C ATOM 1602 CH2 TRP A 117 5.467 2.884 10.669 1.00 0.99 C ATOM 0 H TRP A 117 8.231 -0.629 6.578 1.00 0.31 H new ATOM 0 HA TRP A 117 5.920 -1.309 7.969 1.00 0.32 H new ATOM 0 HB2 TRP A 117 6.287 -0.074 5.214 1.00 0.36 H new ATOM 0 HB3 TRP A 117 4.759 -0.123 6.072 1.00 0.36 H new ATOM 0 HD1 TRP A 117 7.379 2.254 5.435 1.00 0.47 H new ATOM 0 HE1 TRP A 117 7.570 4.090 7.246 1.00 0.53 H new ATOM 0 HE3 TRP A 117 4.636 -0.016 9.099 1.00 0.76 H new ATOM 0 HZ2 TRP A 117 6.647 4.478 9.873 1.00 0.80 H new ATOM 0 HZ3 TRP A 117 4.322 1.160 11.235 1.00 0.98 H new ATOM 0 HH2 TRP A 117 5.314 3.376 11.618 1.00 0.99 H new ATOM 1613 N ILE A 118 6.399 -3.054 5.228 1.00 0.29 N ATOM 1614 CA ILE A 118 5.981 -4.252 4.508 1.00 0.32 C ATOM 1615 C ILE A 118 5.986 -5.475 5.425 1.00 0.36 C ATOM 1616 O ILE A 118 5.032 -6.258 5.436 1.00 0.40 O ATOM 1617 CB ILE A 118 6.891 -4.509 3.286 1.00 0.41 C ATOM 1618 CG1 ILE A 118 6.669 -3.423 2.229 1.00 0.44 C ATOM 1619 CG2 ILE A 118 6.637 -5.892 2.699 1.00 0.51 C ATOM 1620 CD1 ILE A 118 7.618 -3.511 1.054 1.00 0.57 C ATOM 0 H ILE A 118 7.247 -2.621 4.863 1.00 0.29 H new ATOM 0 HA ILE A 118 4.963 -4.084 4.157 1.00 0.32 H new ATOM 0 HB ILE A 118 7.930 -4.472 3.614 1.00 0.41 H new ATOM 0 HG12 ILE A 118 5.645 -3.490 1.862 1.00 0.44 H new ATOM 0 HG13 ILE A 118 6.776 -2.445 2.698 1.00 0.44 H new ATOM 0 HG21 ILE A 118 7.290 -6.048 1.840 1.00 0.51 H new ATOM 0 HG22 ILE A 118 6.842 -6.651 3.454 1.00 0.51 H new ATOM 0 HG23 ILE A 118 5.597 -5.967 2.382 1.00 0.51 H new ATOM 0 HD11 ILE A 118 7.399 -2.709 0.349 1.00 0.57 H new ATOM 0 HD12 ILE A 118 8.645 -3.413 1.407 1.00 0.57 H new ATOM 0 HD13 ILE A 118 7.495 -4.474 0.558 1.00 0.57 H new ATOM 1632 N LYS A 119 7.048 -5.627 6.205 1.00 0.41 N ATOM 1633 CA LYS A 119 7.175 -6.766 7.105 1.00 0.53 C ATOM 1634 C LYS A 119 6.140 -6.697 8.222 1.00 0.55 C ATOM 1635 O LYS A 119 5.474 -7.687 8.522 1.00 0.67 O ATOM 1636 CB LYS A 119 8.593 -6.836 7.680 1.00 0.63 C ATOM 1637 CG LYS A 119 8.749 -7.841 8.812 1.00 1.09 C ATOM 1638 CD LYS A 119 10.212 -8.064 9.166 1.00 1.34 C ATOM 1639 CE LYS A 119 10.880 -9.037 8.205 1.00 2.05 C ATOM 1640 NZ LYS A 119 10.325 -10.413 8.334 1.00 2.66 N ATOM 0 H LYS A 119 7.833 -4.977 6.233 1.00 0.41 H new ATOM 0 HA LYS A 119 6.989 -7.676 6.534 1.00 0.53 H new ATOM 0 HB2 LYS A 119 9.287 -7.094 6.880 1.00 0.63 H new ATOM 0 HB3 LYS A 119 8.877 -5.848 8.042 1.00 0.63 H new ATOM 0 HG2 LYS A 119 8.211 -7.486 9.691 1.00 1.09 H new ATOM 0 HG3 LYS A 119 8.296 -8.789 8.523 1.00 1.09 H new ATOM 0 HD2 LYS A 119 10.741 -7.111 9.146 1.00 1.34 H new ATOM 0 HD3 LYS A 119 10.286 -8.448 10.183 1.00 1.34 H new ATOM 0 HE2 LYS A 119 10.747 -8.686 7.182 1.00 2.05 H new ATOM 0 HE3 LYS A 119 11.953 -9.059 8.397 1.00 2.05 H new ATOM 0 HZ1 LYS A 119 11.060 -11.051 8.700 1.00 2.66 H new ATOM 0 HZ2 LYS A 119 9.518 -10.402 8.990 1.00 2.66 H new ATOM 0 HZ3 LYS A 119 10.009 -10.748 7.402 1.00 2.66 H new ATOM 1654 N GLU A 120 5.988 -5.518 8.811 1.00 0.51 N ATOM 1655 CA GLU A 120 5.035 -5.321 9.898 1.00 0.63 C ATOM 1656 C GLU A 120 3.597 -5.522 9.419 1.00 0.60 C ATOM 1657 O GLU A 120 2.715 -5.885 10.198 1.00 0.79 O ATOM 1658 CB GLU A 120 5.192 -3.922 10.493 1.00 0.71 C ATOM 1659 CG GLU A 120 6.545 -3.675 11.142 1.00 1.43 C ATOM 1660 CD GLU A 120 6.651 -2.295 11.759 1.00 1.83 C ATOM 1661 OE1 GLU A 120 7.754 -1.716 11.746 1.00 2.48 O ATOM 1662 OE2 GLU A 120 5.628 -1.784 12.267 1.00 2.33 O ATOM 0 H GLU A 120 6.513 -4.682 8.555 1.00 0.51 H new ATOM 0 HA GLU A 120 5.247 -6.065 10.666 1.00 0.63 H new ATOM 0 HB2 GLU A 120 5.038 -3.184 9.706 1.00 0.71 H new ATOM 0 HB3 GLU A 120 4.410 -3.764 11.236 1.00 0.71 H new ATOM 0 HG2 GLU A 120 6.718 -4.427 11.911 1.00 1.43 H new ATOM 0 HG3 GLU A 120 7.330 -3.797 10.395 1.00 1.43 H new ATOM 1669 N PHE A 121 3.371 -5.279 8.134 1.00 0.44 N ATOM 1670 CA PHE A 121 2.047 -5.418 7.537 1.00 0.43 C ATOM 1671 C PHE A 121 1.738 -6.879 7.212 1.00 0.46 C ATOM 1672 O PHE A 121 0.661 -7.385 7.538 1.00 0.54 O ATOM 1673 CB PHE A 121 1.968 -4.564 6.271 1.00 0.38 C ATOM 1674 CG PHE A 121 0.693 -4.723 5.494 1.00 0.43 C ATOM 1675 CD1 PHE A 121 -0.508 -4.269 6.007 1.00 1.37 C ATOM 1676 CD2 PHE A 121 0.704 -5.314 4.242 1.00 1.19 C ATOM 1677 CE1 PHE A 121 -1.677 -4.405 5.286 1.00 1.43 C ATOM 1678 CE2 PHE A 121 -0.461 -5.454 3.517 1.00 1.23 C ATOM 1679 CZ PHE A 121 -1.653 -4.999 4.039 1.00 0.67 C ATOM 0 H PHE A 121 4.095 -4.982 7.479 1.00 0.44 H new ATOM 0 HA PHE A 121 1.303 -5.074 8.256 1.00 0.43 H new ATOM 0 HB2 PHE A 121 2.083 -3.516 6.547 1.00 0.38 H new ATOM 0 HB3 PHE A 121 2.808 -4.817 5.624 1.00 0.38 H new ATOM 0 HD1 PHE A 121 -0.532 -3.803 6.981 1.00 1.37 H new ATOM 0 HD2 PHE A 121 1.636 -5.670 3.828 1.00 1.19 H new ATOM 0 HE1 PHE A 121 -2.610 -4.047 5.696 1.00 1.43 H new ATOM 0 HE2 PHE A 121 -0.439 -5.919 2.543 1.00 1.23 H new ATOM 0 HZ PHE A 121 -2.567 -5.107 3.474 1.00 0.67 H new ATOM 1689 N SER A 122 2.682 -7.550 6.570 1.00 0.44 N ATOM 1690 CA SER A 122 2.502 -8.946 6.197 1.00 0.50 C ATOM 1691 C SER A 122 2.420 -9.834 7.436 1.00 0.58 C ATOM 1692 O SER A 122 1.706 -10.839 7.448 1.00 0.80 O ATOM 1693 CB SER A 122 3.638 -9.397 5.278 1.00 0.57 C ATOM 1694 OG SER A 122 4.900 -8.959 5.762 1.00 1.31 O ATOM 0 H SER A 122 3.580 -7.151 6.296 1.00 0.44 H new ATOM 0 HA SER A 122 1.560 -9.041 5.656 1.00 0.50 H new ATOM 0 HB2 SER A 122 3.634 -10.484 5.199 1.00 0.57 H new ATOM 0 HB3 SER A 122 3.475 -9.004 4.275 1.00 0.57 H new ATOM 0 HG SER A 122 5.032 -8.017 5.525 1.00 1.31 H new ATOM 1700 N GLU A 123 3.137 -9.447 8.481 1.00 0.63 N ATOM 1701 CA GLU A 123 3.093 -10.168 9.742 1.00 0.81 C ATOM 1702 C GLU A 123 2.234 -9.425 10.761 1.00 0.92 C ATOM 1703 O GLU A 123 2.558 -9.369 11.947 1.00 1.44 O ATOM 1704 CB GLU A 123 4.504 -10.391 10.283 1.00 1.25 C ATOM 1705 CG GLU A 123 5.325 -11.340 9.425 1.00 1.57 C ATOM 1706 CD GLU A 123 6.689 -11.631 10.012 1.00 1.91 C ATOM 1707 OE1 GLU A 123 6.756 -12.257 11.091 1.00 2.53 O ATOM 1708 OE2 GLU A 123 7.705 -11.262 9.381 1.00 2.37 O ATOM 0 H GLU A 123 3.756 -8.637 8.479 1.00 0.63 H new ATOM 0 HA GLU A 123 2.638 -11.142 9.562 1.00 0.81 H new ATOM 0 HB2 GLU A 123 5.018 -9.432 10.348 1.00 1.25 H new ATOM 0 HB3 GLU A 123 4.440 -10.788 11.296 1.00 1.25 H new ATOM 0 HG2 GLU A 123 4.780 -12.276 9.303 1.00 1.57 H new ATOM 0 HG3 GLU A 123 5.447 -10.910 8.431 1.00 1.57 H new