USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 675 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 SER OG : rot 100:sc= -0.0251 USER MOD Set 1.2: A 72 MET CE :methyl -133:sc= -0.109 (180deg=-0.346) USER MOD Set 2.1: A 24 LYS NZ :NH3+ -107:sc= 0.2 (180deg=0) USER MOD Set 2.2: A 56 GLN : amide:sc= 0.201 K(o=0.4,f=-0.5) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.737 X(o=-0.74,f=-0.59) USER MOD Single : A 11 ASN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= -0.0123 USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 83:sc= 0.953 USER MOD Single : A 34 THR OG1 : rot 83:sc= 1.07 USER MOD Single : A 38 GLN : amide:sc= -0.166 K(o=-0.17,f=-1.1) USER MOD Single : A 43 HIS : no HE2:sc= -0.425 K(o=-0.43,f=-1.1) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 47 ASN : amide:sc= -0.168 K(o=-0.17,f=-1.2!) USER MOD Single : A 50 SER OG : rot 180:sc= -0.7 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc=-0.00172 X(o=-0.0017,f=-0.31) USER MOD Single : A 61 LYS NZ :NH3+ 151:sc= -0.798 (180deg=-2.03!) USER MOD Single : A 70 SER OG : rot 180:sc=0.000159 USER MOD Single : A 71 SER OG : rot -71:sc= 0.101 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0.0419 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -1.7 K(o=-1.7,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 29 N ASP A 3 2.585 -16.463 2.207 1.00 0.00 N ATOM 30 CA ASP A 3 1.771 -15.584 3.050 1.00 0.00 C ATOM 31 C ASP A 3 2.588 -14.389 3.545 1.00 0.00 C ATOM 32 O ASP A 3 3.281 -14.478 4.563 1.00 0.00 O ATOM 33 CB ASP A 3 1.201 -16.365 4.243 1.00 0.00 C ATOM 34 CG ASP A 3 -0.227 -15.967 4.581 1.00 0.00 C ATOM 35 OD1 ASP A 3 -1.022 -15.737 3.643 1.00 0.00 O ATOM 36 OD2 ASP A 3 -0.547 -15.887 5.785 1.00 0.00 O ATOM 0 HA ASP A 3 0.945 -15.207 2.447 1.00 0.00 H new ATOM 0 HB2 ASP A 3 1.233 -17.432 4.021 1.00 0.00 H new ATOM 0 HB3 ASP A 3 1.835 -16.201 5.115 1.00 0.00 H new ATOM 41 N VAL A 4 2.505 -13.274 2.820 1.00 0.00 N ATOM 42 CA VAL A 4 3.237 -12.063 3.188 1.00 0.00 C ATOM 43 C VAL A 4 2.349 -11.112 3.990 1.00 0.00 C ATOM 44 O VAL A 4 1.279 -10.710 3.528 1.00 0.00 O ATOM 45 CB VAL A 4 3.779 -11.318 1.947 1.00 0.00 C ATOM 46 CG1 VAL A 4 4.686 -10.172 2.372 1.00 0.00 C ATOM 47 CG2 VAL A 4 4.523 -12.272 1.021 1.00 0.00 C ATOM 0 H VAL A 4 1.939 -13.184 1.976 1.00 0.00 H new ATOM 0 HA VAL A 4 4.081 -12.382 3.800 1.00 0.00 H new ATOM 0 HB VAL A 4 2.931 -10.907 1.399 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.060 -9.657 1.487 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.123 -9.472 2.989 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.526 -10.566 2.945 1.00 0.00 H new ATOM 0 HG21 VAL A 4 4.894 -11.723 0.156 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.362 -12.718 1.556 1.00 0.00 H new ATOM 0 HG23 VAL A 4 3.846 -13.059 0.689 1.00 0.00 H new ATOM 57 N ARG A 5 2.800 -10.758 5.194 1.00 0.00 N ATOM 58 CA ARG A 5 2.048 -9.855 6.063 1.00 0.00 C ATOM 59 C ARG A 5 2.389 -8.398 5.762 1.00 0.00 C ATOM 60 O ARG A 5 3.523 -7.957 5.972 1.00 0.00 O ATOM 61 CB ARG A 5 2.331 -10.158 7.538 1.00 0.00 C ATOM 62 CG ARG A 5 1.743 -11.476 8.016 1.00 0.00 C ATOM 63 CD ARG A 5 2.507 -12.020 9.214 1.00 0.00 C ATOM 64 NE ARG A 5 2.653 -13.475 9.157 1.00 0.00 N ATOM 65 CZ ARG A 5 3.547 -14.164 9.871 1.00 0.00 C ATOM 66 NH1 ARG A 5 4.375 -13.542 10.707 1.00 0.00 N ATOM 67 NH2 ARG A 5 3.609 -15.487 9.750 1.00 0.00 N ATOM 0 H ARG A 5 3.682 -11.083 5.589 1.00 0.00 H new ATOM 0 HA ARG A 5 0.988 -10.015 5.867 1.00 0.00 H new ATOM 0 HB2 ARG A 5 3.409 -10.173 7.696 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.931 -9.349 8.149 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.696 -11.334 8.284 1.00 0.00 H new ATOM 0 HG3 ARG A 5 1.769 -12.204 7.205 1.00 0.00 H new ATOM 0 HD2 ARG A 5 3.493 -11.558 9.255 1.00 0.00 H new ATOM 0 HD3 ARG A 5 1.987 -11.744 10.131 1.00 0.00 H new ATOM 0 HE ARG A 5 2.034 -13.994 8.534 1.00 0.00 H new ATOM 0 HH11 ARG A 5 4.331 -12.528 10.808 1.00 0.00 H new ATOM 0 HH12 ARG A 5 5.053 -14.079 11.247 1.00 0.00 H new ATOM 0 HH21 ARG A 5 2.975 -15.971 9.114 1.00 0.00 H new ATOM 0 HH22 ARG A 5 4.290 -16.017 10.293 1.00 0.00 H new ATOM 81 N ILE A 6 1.399 -7.656 5.273 1.00 0.00 N ATOM 82 CA ILE A 6 1.582 -6.246 4.941 1.00 0.00 C ATOM 83 C ILE A 6 0.907 -5.351 5.980 1.00 0.00 C ATOM 84 O ILE A 6 -0.311 -5.405 6.158 1.00 0.00 O ATOM 85 CB ILE A 6 1.017 -5.917 3.539 1.00 0.00 C ATOM 86 CG1 ILE A 6 1.525 -6.926 2.501 1.00 0.00 C ATOM 87 CG2 ILE A 6 1.393 -4.498 3.129 1.00 0.00 C ATOM 88 CD1 ILE A 6 0.729 -6.923 1.211 1.00 0.00 C ATOM 0 H ILE A 6 0.458 -8.009 5.097 1.00 0.00 H new ATOM 0 HA ILE A 6 2.655 -6.053 4.940 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.070 -5.987 3.584 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.569 -6.707 2.275 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.496 -7.926 2.934 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.987 -4.285 2.140 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.983 -3.790 3.850 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.478 -4.402 3.103 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.145 -7.661 0.525 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.311 -7.172 1.424 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.779 -5.934 0.755 1.00 0.00 H new ATOM 100 N LYS A 7 1.709 -4.527 6.655 1.00 0.00 N ATOM 101 CA LYS A 7 1.192 -3.613 7.669 1.00 0.00 C ATOM 102 C LYS A 7 1.133 -2.188 7.120 1.00 0.00 C ATOM 103 O LYS A 7 2.165 -1.585 6.818 1.00 0.00 O ATOM 104 CB LYS A 7 2.059 -3.662 8.931 1.00 0.00 C ATOM 105 CG LYS A 7 1.410 -3.003 10.140 1.00 0.00 C ATOM 106 CD LYS A 7 1.892 -3.621 11.445 1.00 0.00 C ATOM 107 CE LYS A 7 3.322 -3.212 11.764 1.00 0.00 C ATOM 108 NZ LYS A 7 4.168 -4.376 12.157 1.00 0.00 N ATOM 0 H LYS A 7 2.718 -4.475 6.517 1.00 0.00 H new ATOM 0 HA LYS A 7 0.182 -3.927 7.933 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.281 -4.702 9.170 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.011 -3.172 8.727 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.635 -1.936 10.138 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.327 -3.100 10.070 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.235 -3.313 12.258 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.830 -4.707 11.379 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.761 -2.724 10.894 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.317 -2.480 12.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 5.133 -4.049 12.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.766 -4.828 13.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.196 -5.064 11.377 1.00 0.00 H new ATOM 122 N PHE A 8 -0.085 -1.660 6.992 1.00 0.00 N ATOM 123 CA PHE A 8 -0.292 -0.307 6.475 1.00 0.00 C ATOM 124 C PHE A 8 -0.946 0.585 7.528 1.00 0.00 C ATOM 125 O PHE A 8 -1.762 0.122 8.326 1.00 0.00 O ATOM 126 CB PHE A 8 -1.140 -0.329 5.191 1.00 0.00 C ATOM 127 CG PHE A 8 -2.193 -1.408 5.153 1.00 0.00 C ATOM 128 CD1 PHE A 8 -1.849 -2.727 4.890 1.00 0.00 C ATOM 129 CD2 PHE A 8 -3.525 -1.101 5.375 1.00 0.00 C ATOM 130 CE1 PHE A 8 -2.815 -3.715 4.855 1.00 0.00 C ATOM 131 CE2 PHE A 8 -4.495 -2.084 5.340 1.00 0.00 C ATOM 132 CZ PHE A 8 -4.138 -3.392 5.079 1.00 0.00 C ATOM 0 H PHE A 8 -0.945 -2.150 7.240 1.00 0.00 H new ATOM 0 HA PHE A 8 0.686 0.107 6.232 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -1.627 0.640 5.076 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -0.477 -0.456 4.335 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -0.815 -2.984 4.711 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -3.809 -0.079 5.578 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -2.535 -4.738 4.653 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -5.530 -1.830 5.516 1.00 0.00 H new ATOM 0 HZ PHE A 8 -4.894 -4.163 5.050 1.00 0.00 H new ATOM 142 N GLU A 9 -0.573 1.867 7.527 1.00 0.00 N ATOM 143 CA GLU A 9 -1.113 2.827 8.489 1.00 0.00 C ATOM 144 C GLU A 9 -1.857 3.966 7.791 1.00 0.00 C ATOM 145 O GLU A 9 -1.417 4.470 6.754 1.00 0.00 O ATOM 146 CB GLU A 9 0.014 3.397 9.355 1.00 0.00 C ATOM 147 CG GLU A 9 -0.477 4.081 10.623 1.00 0.00 C ATOM 148 CD GLU A 9 0.611 4.868 11.326 1.00 0.00 C ATOM 149 OE1 GLU A 9 0.995 5.939 10.812 1.00 0.00 O ATOM 150 OE2 GLU A 9 1.080 4.412 12.390 1.00 0.00 O ATOM 0 H GLU A 9 0.100 2.263 6.871 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.825 2.297 9.121 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.694 2.590 9.628 1.00 0.00 H new ATOM 0 HB3 GLU A 9 0.588 4.112 8.765 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -1.300 4.751 10.373 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.874 3.329 11.305 1.00 0.00 H new ATOM 157 N HIS A 10 -2.984 4.367 8.381 1.00 0.00 N ATOM 158 CA HIS A 10 -3.803 5.448 7.844 1.00 0.00 C ATOM 159 C HIS A 10 -4.352 6.313 8.978 1.00 0.00 C ATOM 160 O HIS A 10 -5.148 5.847 9.795 1.00 0.00 O ATOM 161 CB HIS A 10 -4.957 4.876 7.018 1.00 0.00 C ATOM 162 CG HIS A 10 -5.778 5.918 6.320 1.00 0.00 C ATOM 163 ND1 HIS A 10 -7.126 6.090 6.546 1.00 0.00 N ATOM 164 CD2 HIS A 10 -5.434 6.843 5.391 1.00 0.00 C ATOM 165 CE1 HIS A 10 -7.578 7.070 5.785 1.00 0.00 C ATOM 166 NE2 HIS A 10 -6.571 7.543 5.076 1.00 0.00 N ATOM 0 H HIS A 10 -3.350 3.953 9.238 1.00 0.00 H new ATOM 0 HA HIS A 10 -3.180 6.068 7.200 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -4.553 4.188 6.275 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.606 4.294 7.672 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -4.449 7.000 4.976 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -8.598 7.424 5.749 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -6.629 8.306 4.402 1.00 0.00 H new ATOM 175 N ASN A 11 -3.914 7.575 9.020 1.00 0.00 N ATOM 176 CA ASN A 11 -4.349 8.523 10.049 1.00 0.00 C ATOM 177 C ASN A 11 -4.040 8.007 11.462 1.00 0.00 C ATOM 178 O ASN A 11 -4.788 8.277 12.407 1.00 0.00 O ATOM 179 CB ASN A 11 -5.850 8.811 9.914 1.00 0.00 C ATOM 180 CG ASN A 11 -6.176 9.721 8.743 1.00 0.00 C ATOM 181 OD1 ASN A 11 -5.297 10.106 7.971 1.00 0.00 O ATOM 182 ND2 ASN A 11 -7.450 10.073 8.605 1.00 0.00 N ATOM 0 H ASN A 11 -3.254 7.965 8.348 1.00 0.00 H new ATOM 0 HA ASN A 11 -3.791 9.447 9.898 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -6.386 7.869 9.795 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -6.211 9.269 10.835 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -7.730 10.684 7.838 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -8.148 9.732 9.266 1.00 0.00 H new ATOM 189 N GLY A 12 -2.933 7.273 11.604 1.00 0.00 N ATOM 190 CA GLY A 12 -2.551 6.742 12.904 1.00 0.00 C ATOM 191 C GLY A 12 -2.852 5.260 13.062 1.00 0.00 C ATOM 192 O GLY A 12 -2.001 4.497 13.524 1.00 0.00 O ATOM 0 H GLY A 12 -2.296 7.038 10.842 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.484 6.907 13.057 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -3.074 7.297 13.683 1.00 0.00 H new ATOM 196 N GLU A 13 -4.065 4.849 12.681 1.00 0.00 N ATOM 197 CA GLU A 13 -4.471 3.446 12.791 1.00 0.00 C ATOM 198 C GLU A 13 -3.723 2.578 11.778 1.00 0.00 C ATOM 199 O GLU A 13 -3.422 3.020 10.670 1.00 0.00 O ATOM 200 CB GLU A 13 -5.984 3.305 12.593 1.00 0.00 C ATOM 201 CG GLU A 13 -6.580 2.103 13.316 1.00 0.00 C ATOM 202 CD GLU A 13 -7.430 1.224 12.415 1.00 0.00 C ATOM 203 OE1 GLU A 13 -6.988 0.915 11.286 1.00 0.00 O ATOM 204 OE2 GLU A 13 -8.539 0.839 12.843 1.00 0.00 O ATOM 0 H GLU A 13 -4.780 5.466 12.295 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.215 3.101 13.793 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.475 4.212 12.946 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -6.197 3.221 11.527 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.773 1.505 13.740 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.188 2.454 14.150 1.00 0.00 H new ATOM 211 N ARG A 14 -3.419 1.339 12.174 1.00 0.00 N ATOM 212 CA ARG A 14 -2.696 0.410 11.304 1.00 0.00 C ATOM 213 C ARG A 14 -3.470 -0.894 11.105 1.00 0.00 C ATOM 214 O ARG A 14 -4.180 -1.352 12.003 1.00 0.00 O ATOM 215 CB ARG A 14 -1.305 0.114 11.881 1.00 0.00 C ATOM 216 CG ARG A 14 -1.332 -0.480 13.283 1.00 0.00 C ATOM 217 CD ARG A 14 -0.052 -1.242 13.593 1.00 0.00 C ATOM 218 NE ARG A 14 0.894 -0.440 14.371 1.00 0.00 N ATOM 219 CZ ARG A 14 1.929 -0.950 15.045 1.00 0.00 C ATOM 220 NH1 ARG A 14 2.164 -2.261 15.033 1.00 0.00 N ATOM 221 NH2 ARG A 14 2.732 -0.146 15.733 1.00 0.00 N ATOM 0 H ARG A 14 -3.662 0.958 13.088 1.00 0.00 H new ATOM 0 HA ARG A 14 -2.587 0.886 10.330 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.785 -0.575 11.215 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.726 1.037 11.899 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.468 0.317 14.014 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -2.187 -1.149 13.379 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.296 -2.150 14.145 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.419 -1.553 12.660 1.00 0.00 H new ATOM 0 HE ARG A 14 0.754 0.570 14.400 1.00 0.00 H new ATOM 0 HH11 ARG A 14 1.552 -2.884 14.507 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.956 -2.642 15.550 1.00 0.00 H new ATOM 0 HH21 ARG A 14 2.558 0.859 15.746 1.00 0.00 H new ATOM 0 HH22 ARG A 14 3.522 -0.534 16.248 1.00 0.00 H new ATOM 235 N ARG A 15 -3.315 -1.487 9.921 1.00 0.00 N ATOM 236 CA ARG A 15 -3.985 -2.743 9.588 1.00 0.00 C ATOM 237 C ARG A 15 -2.993 -3.747 9.002 1.00 0.00 C ATOM 238 O ARG A 15 -2.148 -3.390 8.177 1.00 0.00 O ATOM 239 CB ARG A 15 -5.125 -2.495 8.594 1.00 0.00 C ATOM 240 CG ARG A 15 -6.423 -3.195 8.968 1.00 0.00 C ATOM 241 CD ARG A 15 -6.659 -4.436 8.120 1.00 0.00 C ATOM 242 NE ARG A 15 -7.429 -5.456 8.835 1.00 0.00 N ATOM 243 CZ ARG A 15 -8.754 -5.400 9.025 1.00 0.00 C ATOM 244 NH1 ARG A 15 -9.463 -4.373 8.559 1.00 0.00 N ATOM 245 NH2 ARG A 15 -9.370 -6.376 9.687 1.00 0.00 N ATOM 0 H ARG A 15 -2.728 -1.115 9.174 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.400 -3.159 10.506 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -5.308 -1.423 8.524 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.813 -2.831 7.605 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.395 -3.474 10.021 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -7.257 -2.505 8.843 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -7.188 -4.156 7.209 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -5.699 -4.854 7.816 1.00 0.00 H new ATOM 0 HE ARG A 15 -6.925 -6.259 9.212 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -8.997 -3.620 8.052 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -10.471 -4.340 8.709 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -8.834 -7.165 10.049 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.379 -6.336 9.833 1.00 0.00 H new ATOM 259 N ILE A 16 -3.102 -5.003 9.434 1.00 0.00 N ATOM 260 CA ILE A 16 -2.216 -6.063 8.958 1.00 0.00 C ATOM 261 C ILE A 16 -3.006 -7.145 8.223 1.00 0.00 C ATOM 262 O ILE A 16 -3.971 -7.695 8.760 1.00 0.00 O ATOM 263 CB ILE A 16 -1.433 -6.717 10.119 1.00 0.00 C ATOM 264 CG1 ILE A 16 -0.766 -5.653 10.994 1.00 0.00 C ATOM 265 CG2 ILE A 16 -0.390 -7.689 9.578 1.00 0.00 C ATOM 266 CD1 ILE A 16 -0.420 -6.144 12.383 1.00 0.00 C ATOM 0 H ILE A 16 -3.797 -5.311 10.114 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.507 -5.597 8.273 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.140 -7.272 10.735 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.143 -5.307 10.502 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.430 -4.793 11.076 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.152 -8.140 10.409 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.885 -8.470 9.001 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.310 -7.152 8.937 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.049 -5.338 12.947 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -1.329 -6.463 12.893 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.269 -6.985 12.310 1.00 0.00 H new ATOM 278 N ILE A 17 -2.590 -7.448 6.991 1.00 0.00 N ATOM 279 CA ILE A 17 -3.256 -8.467 6.184 1.00 0.00 C ATOM 280 C ILE A 17 -2.236 -9.324 5.435 1.00 0.00 C ATOM 281 O ILE A 17 -1.321 -8.799 4.796 1.00 0.00 O ATOM 282 CB ILE A 17 -4.243 -7.842 5.170 1.00 0.00 C ATOM 283 CG1 ILE A 17 -5.198 -6.873 5.877 1.00 0.00 C ATOM 284 CG2 ILE A 17 -5.028 -8.931 4.446 1.00 0.00 C ATOM 285 CD1 ILE A 17 -6.237 -6.262 4.961 1.00 0.00 C ATOM 0 H ILE A 17 -1.796 -7.001 6.533 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.820 -9.096 6.873 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.668 -7.283 4.432 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -5.705 -7.401 6.684 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.616 -6.073 6.335 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -5.717 -8.472 3.737 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.337 -9.583 3.911 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.591 -9.517 5.172 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.875 -5.588 5.533 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -5.740 -5.704 4.167 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.845 -7.053 4.522 1.00 0.00 H new ATOM 297 N ALA A 18 -2.405 -10.645 5.518 1.00 0.00 N ATOM 298 CA ALA A 18 -1.504 -11.579 4.848 1.00 0.00 C ATOM 299 C ALA A 18 -1.996 -11.906 3.439 1.00 0.00 C ATOM 300 O ALA A 18 -3.203 -11.966 3.192 1.00 0.00 O ATOM 301 CB ALA A 18 -1.357 -12.853 5.665 1.00 0.00 C ATOM 0 H ALA A 18 -3.158 -11.090 6.043 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.528 -11.101 4.762 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.682 -13.538 5.152 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.950 -12.611 6.647 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.333 -13.324 5.783 1.00 0.00 H new ATOM 307 N PHE A 19 -1.052 -12.110 2.520 1.00 0.00 N ATOM 308 CA PHE A 19 -1.381 -12.427 1.131 1.00 0.00 C ATOM 309 C PHE A 19 -0.586 -13.636 0.639 1.00 0.00 C ATOM 310 O PHE A 19 0.645 -13.651 0.713 1.00 0.00 O ATOM 311 CB PHE A 19 -1.099 -11.219 0.232 1.00 0.00 C ATOM 312 CG PHE A 19 -2.061 -10.079 0.428 1.00 0.00 C ATOM 313 CD1 PHE A 19 -1.942 -9.235 1.522 1.00 0.00 C ATOM 314 CD2 PHE A 19 -3.083 -9.852 -0.480 1.00 0.00 C ATOM 315 CE1 PHE A 19 -2.825 -8.189 1.707 1.00 0.00 C ATOM 316 CE2 PHE A 19 -3.968 -8.808 -0.300 1.00 0.00 C ATOM 317 CZ PHE A 19 -3.839 -7.974 0.793 1.00 0.00 C ATOM 0 H PHE A 19 -0.052 -12.061 2.713 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.442 -12.672 1.084 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.086 -10.864 0.423 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.134 -11.537 -0.810 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.150 -9.397 2.238 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.188 -10.499 -1.338 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -2.723 -7.540 2.564 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.761 -8.643 -1.014 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.529 -7.155 0.933 1.00 0.00 H new ATOM 327 N SER A 20 -1.298 -14.645 0.134 1.00 0.00 N ATOM 328 CA SER A 20 -0.662 -15.859 -0.374 1.00 0.00 C ATOM 329 C SER A 20 0.068 -15.586 -1.690 1.00 0.00 C ATOM 330 O SER A 20 -0.516 -15.058 -2.638 1.00 0.00 O ATOM 331 CB SER A 20 -1.704 -16.967 -0.574 1.00 0.00 C ATOM 332 OG SER A 20 -1.117 -18.132 -1.132 1.00 0.00 O ATOM 0 H SER A 20 -2.316 -14.644 0.066 1.00 0.00 H new ATOM 0 HA SER A 20 0.069 -16.188 0.364 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.165 -17.212 0.383 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.498 -16.608 -1.228 1.00 0.00 H new ATOM 0 HG SER A 20 -1.804 -18.822 -1.247 1.00 0.00 H new ATOM 338 N ARG A 21 1.348 -15.953 -1.734 1.00 0.00 N ATOM 339 CA ARG A 21 2.168 -15.757 -2.928 1.00 0.00 C ATOM 340 C ARG A 21 1.757 -16.723 -4.041 1.00 0.00 C ATOM 341 O ARG A 21 1.381 -17.865 -3.770 1.00 0.00 O ATOM 342 CB ARG A 21 3.651 -15.957 -2.602 1.00 0.00 C ATOM 343 CG ARG A 21 4.139 -15.123 -1.428 1.00 0.00 C ATOM 344 CD ARG A 21 5.654 -14.996 -1.430 1.00 0.00 C ATOM 345 NE ARG A 21 6.182 -14.739 -0.092 1.00 0.00 N ATOM 346 CZ ARG A 21 6.362 -15.683 0.836 1.00 0.00 C ATOM 347 NH1 ARG A 21 6.067 -16.955 0.574 1.00 0.00 N ATOM 348 NH2 ARG A 21 6.839 -15.352 2.031 1.00 0.00 N ATOM 0 H ARG A 21 1.840 -16.389 -0.954 1.00 0.00 H new ATOM 0 HA ARG A 21 2.010 -14.735 -3.273 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.827 -17.011 -2.385 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.244 -15.710 -3.483 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.689 -14.131 -1.472 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.812 -15.580 -0.494 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.094 -15.912 -1.824 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.949 -14.187 -2.098 1.00 0.00 H new ATOM 0 HE ARG A 21 6.429 -13.779 0.148 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.700 -17.215 -0.342 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.208 -17.669 1.289 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.067 -14.379 2.238 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.978 -16.070 2.742 1.00 0.00 H new ATOM 362 N PRO A 22 1.826 -16.279 -5.313 1.00 0.00 N ATOM 363 CA PRO A 22 2.271 -14.926 -5.669 1.00 0.00 C ATOM 364 C PRO A 22 1.191 -13.868 -5.426 1.00 0.00 C ATOM 365 O PRO A 22 0.086 -13.962 -5.962 1.00 0.00 O ATOM 366 CB PRO A 22 2.576 -15.046 -7.163 1.00 0.00 C ATOM 367 CG PRO A 22 1.659 -16.116 -7.651 1.00 0.00 C ATOM 368 CD PRO A 22 1.471 -17.075 -6.503 1.00 0.00 C ATOM 0 HA PRO A 22 3.119 -14.602 -5.066 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.396 -14.104 -7.681 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.620 -15.310 -7.334 1.00 0.00 H new ATOM 0 HG2 PRO A 22 0.704 -15.695 -7.965 1.00 0.00 H new ATOM 0 HG3 PRO A 22 2.083 -16.625 -8.516 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.444 -17.437 -6.449 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.113 -17.950 -6.604 1.00 0.00 H new ATOM 376 N VAL A 23 1.522 -12.863 -4.615 1.00 0.00 N ATOM 377 CA VAL A 23 0.585 -11.787 -4.299 1.00 0.00 C ATOM 378 C VAL A 23 0.388 -10.857 -5.502 1.00 0.00 C ATOM 379 O VAL A 23 1.320 -10.621 -6.275 1.00 0.00 O ATOM 380 CB VAL A 23 1.061 -10.966 -3.074 1.00 0.00 C ATOM 381 CG1 VAL A 23 2.405 -10.300 -3.347 1.00 0.00 C ATOM 382 CG2 VAL A 23 0.016 -9.932 -2.676 1.00 0.00 C ATOM 0 H VAL A 23 2.433 -12.772 -4.165 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.370 -12.253 -4.054 1.00 0.00 H new ATOM 0 HB VAL A 23 1.193 -11.656 -2.240 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.714 -9.731 -2.470 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.152 -11.063 -3.566 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.312 -9.629 -4.201 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.372 -9.368 -1.814 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.157 -9.251 -3.509 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.916 -10.436 -2.420 1.00 0.00 H new ATOM 392 N LYS A 24 -0.832 -10.336 -5.657 1.00 0.00 N ATOM 393 CA LYS A 24 -1.151 -9.440 -6.768 1.00 0.00 C ATOM 394 C LYS A 24 -1.408 -8.018 -6.276 1.00 0.00 C ATOM 395 O LYS A 24 -2.165 -7.807 -5.326 1.00 0.00 O ATOM 396 CB LYS A 24 -2.377 -9.948 -7.536 1.00 0.00 C ATOM 397 CG LYS A 24 -2.272 -11.400 -7.983 1.00 0.00 C ATOM 398 CD LYS A 24 -1.042 -11.639 -8.850 1.00 0.00 C ATOM 399 CE LYS A 24 -1.191 -11.008 -10.230 1.00 0.00 C ATOM 400 NZ LYS A 24 0.120 -10.866 -10.929 1.00 0.00 N ATOM 0 H LYS A 24 -1.613 -10.520 -5.027 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.290 -9.426 -7.436 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.259 -9.836 -6.906 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.529 -9.319 -8.413 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.230 -12.048 -7.107 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.168 -11.674 -8.540 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.163 -11.227 -8.355 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.875 -12.711 -8.956 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.860 -11.618 -10.837 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.656 -10.027 -10.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.401 -9.865 -10.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.842 -11.423 -10.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.032 -11.211 -11.906 1.00 0.00 H new ATOM 414 N TYR A 25 -0.780 -7.043 -6.942 1.00 0.00 N ATOM 415 CA TYR A 25 -0.942 -5.629 -6.590 1.00 0.00 C ATOM 416 C TYR A 25 -2.414 -5.217 -6.650 1.00 0.00 C ATOM 417 O TYR A 25 -2.903 -4.516 -5.767 1.00 0.00 O ATOM 418 CB TYR A 25 -0.111 -4.751 -7.535 1.00 0.00 C ATOM 419 CG TYR A 25 -0.222 -3.263 -7.265 1.00 0.00 C ATOM 420 CD1 TYR A 25 0.653 -2.628 -6.389 1.00 0.00 C ATOM 421 CD2 TYR A 25 -1.193 -2.491 -7.893 1.00 0.00 C ATOM 422 CE1 TYR A 25 0.561 -1.271 -6.149 1.00 0.00 C ATOM 423 CE2 TYR A 25 -1.291 -1.134 -7.655 1.00 0.00 C ATOM 424 CZ TYR A 25 -0.413 -0.528 -6.784 1.00 0.00 C ATOM 425 OH TYR A 25 -0.507 0.824 -6.546 1.00 0.00 O ATOM 0 H TYR A 25 -0.153 -7.208 -7.730 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.588 -5.489 -5.569 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.936 -5.045 -7.458 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.423 -4.946 -8.561 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.416 -3.206 -5.889 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.883 -2.961 -8.579 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.249 -0.793 -5.467 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.053 -0.550 -8.150 1.00 0.00 H new ATOM 0 HH TYR A 25 -1.244 1.198 -7.072 1.00 0.00 H new ATOM 435 N GLU A 26 -3.110 -5.662 -7.701 1.00 0.00 N ATOM 436 CA GLU A 26 -4.527 -5.340 -7.879 1.00 0.00 C ATOM 437 C GLU A 26 -5.359 -5.838 -6.697 1.00 0.00 C ATOM 438 O GLU A 26 -6.230 -5.124 -6.203 1.00 0.00 O ATOM 439 CB GLU A 26 -5.064 -5.949 -9.178 1.00 0.00 C ATOM 440 CG GLU A 26 -4.249 -5.591 -10.413 1.00 0.00 C ATOM 441 CD GLU A 26 -3.848 -6.811 -11.219 1.00 0.00 C ATOM 442 OE1 GLU A 26 -2.850 -7.467 -10.848 1.00 0.00 O ATOM 443 OE2 GLU A 26 -4.534 -7.115 -12.218 1.00 0.00 O ATOM 0 H GLU A 26 -2.715 -6.245 -8.439 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.611 -4.255 -7.933 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.091 -7.034 -9.075 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.092 -5.617 -9.325 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.829 -4.917 -11.044 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.353 -5.050 -10.109 1.00 0.00 H new ATOM 450 N ASP A 27 -5.083 -7.064 -6.248 1.00 0.00 N ATOM 451 CA ASP A 27 -5.812 -7.649 -5.124 1.00 0.00 C ATOM 452 C ASP A 27 -5.541 -6.888 -3.830 1.00 0.00 C ATOM 453 O ASP A 27 -6.465 -6.600 -3.069 1.00 0.00 O ATOM 454 CB ASP A 27 -5.443 -9.124 -4.948 1.00 0.00 C ATOM 455 CG ASP A 27 -6.619 -10.044 -5.211 1.00 0.00 C ATOM 456 OD1 ASP A 27 -7.056 -10.129 -6.377 1.00 0.00 O ATOM 457 OD2 ASP A 27 -7.104 -10.675 -4.251 1.00 0.00 O ATOM 0 H ASP A 27 -4.363 -7.668 -6.644 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.876 -7.574 -5.349 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.628 -9.376 -5.626 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.076 -9.287 -3.934 1.00 0.00 H new ATOM 462 N VAL A 28 -4.271 -6.563 -3.585 1.00 0.00 N ATOM 463 CA VAL A 28 -3.893 -5.832 -2.377 1.00 0.00 C ATOM 464 C VAL A 28 -4.489 -4.426 -2.387 1.00 0.00 C ATOM 465 O VAL A 28 -5.082 -3.987 -1.399 1.00 0.00 O ATOM 466 CB VAL A 28 -2.358 -5.734 -2.217 1.00 0.00 C ATOM 467 CG1 VAL A 28 -1.990 -5.125 -0.870 1.00 0.00 C ATOM 468 CG2 VAL A 28 -1.706 -7.103 -2.379 1.00 0.00 C ATOM 0 H VAL A 28 -3.492 -6.793 -4.203 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.291 -6.393 -1.532 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.981 -5.080 -3.003 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.905 -5.067 -0.781 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.415 -4.124 -0.795 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.387 -5.748 -0.068 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.626 -7.008 -2.262 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.095 -7.783 -1.621 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.930 -7.498 -3.370 1.00 0.00 H new ATOM 478 N GLU A 29 -4.334 -3.726 -3.511 1.00 0.00 N ATOM 479 CA GLU A 29 -4.858 -2.370 -3.652 1.00 0.00 C ATOM 480 C GLU A 29 -6.384 -2.351 -3.562 1.00 0.00 C ATOM 481 O GLU A 29 -6.948 -1.519 -2.858 1.00 0.00 O ATOM 482 CB GLU A 29 -4.407 -1.757 -4.982 1.00 0.00 C ATOM 483 CG GLU A 29 -3.322 -0.700 -4.829 1.00 0.00 C ATOM 484 CD GLU A 29 -3.653 0.599 -5.541 1.00 0.00 C ATOM 485 OE1 GLU A 29 -4.038 0.548 -6.728 1.00 0.00 O ATOM 486 OE2 GLU A 29 -3.523 1.669 -4.911 1.00 0.00 O ATOM 0 H GLU A 29 -3.849 -4.077 -4.337 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.460 -1.775 -2.830 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.040 -2.551 -5.632 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.269 -1.311 -5.478 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.167 -0.497 -3.769 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.383 -1.092 -5.219 1.00 0.00 H new ATOM 493 N HIS A 30 -7.045 -3.269 -4.271 1.00 0.00 N ATOM 494 CA HIS A 30 -8.509 -3.340 -4.257 1.00 0.00 C ATOM 495 C HIS A 30 -9.048 -3.499 -2.833 1.00 0.00 C ATOM 496 O HIS A 30 -10.050 -2.880 -2.470 1.00 0.00 O ATOM 497 CB HIS A 30 -9.001 -4.500 -5.132 1.00 0.00 C ATOM 498 CG HIS A 30 -10.475 -4.463 -5.400 1.00 0.00 C ATOM 499 ND1 HIS A 30 -11.064 -3.543 -6.241 1.00 0.00 N ATOM 500 CD2 HIS A 30 -11.483 -5.238 -4.929 1.00 0.00 C ATOM 501 CE1 HIS A 30 -12.368 -3.754 -6.277 1.00 0.00 C ATOM 502 NE2 HIS A 30 -12.648 -4.776 -5.489 1.00 0.00 N ATOM 0 H HIS A 30 -6.594 -3.970 -4.859 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.886 -2.401 -4.662 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -8.466 -4.480 -6.082 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -8.752 -5.443 -4.645 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -11.387 -6.065 -4.241 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -13.084 -3.187 -6.853 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -13.578 -5.160 -5.323 1.00 0.00 H new ATOM 511 N LYS A 31 -8.380 -4.329 -2.031 1.00 0.00 N ATOM 512 CA LYS A 31 -8.792 -4.567 -0.650 1.00 0.00 C ATOM 513 C LYS A 31 -8.525 -3.346 0.228 1.00 0.00 C ATOM 514 O LYS A 31 -9.408 -2.898 0.960 1.00 0.00 O ATOM 515 CB LYS A 31 -8.066 -5.790 -0.079 1.00 0.00 C ATOM 516 CG LYS A 31 -8.903 -6.591 0.907 1.00 0.00 C ATOM 517 CD LYS A 31 -8.224 -7.900 1.281 1.00 0.00 C ATOM 518 CE LYS A 31 -8.454 -8.253 2.744 1.00 0.00 C ATOM 519 NZ LYS A 31 -9.776 -8.912 2.962 1.00 0.00 N ATOM 0 H LYS A 31 -7.550 -4.848 -2.316 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.865 -4.757 -0.652 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.767 -6.441 -0.901 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.152 -5.461 0.416 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.074 -5.999 1.806 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.880 -6.798 0.472 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.605 -8.702 0.648 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.154 -7.823 1.089 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.659 -8.915 3.086 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.397 -7.348 3.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.891 -9.135 3.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.537 -8.271 2.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.822 -9.790 2.406 1.00 0.00 H new ATOM 533 N VAL A 32 -7.305 -2.813 0.156 1.00 0.00 N ATOM 534 CA VAL A 32 -6.928 -1.646 0.958 1.00 0.00 C ATOM 535 C VAL A 32 -7.706 -0.397 0.536 1.00 0.00 C ATOM 536 O VAL A 32 -8.169 0.367 1.386 1.00 0.00 O ATOM 537 CB VAL A 32 -5.413 -1.353 0.870 1.00 0.00 C ATOM 538 CG1 VAL A 32 -5.040 -0.189 1.777 1.00 0.00 C ATOM 539 CG2 VAL A 32 -4.602 -2.593 1.222 1.00 0.00 C ATOM 0 H VAL A 32 -6.563 -3.168 -0.447 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.180 -1.891 1.990 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.178 -1.075 -0.157 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.970 0.002 1.702 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.590 0.701 1.472 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.293 -0.436 2.808 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.539 -2.364 1.153 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.841 -2.908 2.238 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.845 -3.396 0.527 1.00 0.00 H new ATOM 549 N THR A 33 -7.842 -0.196 -0.776 1.00 0.00 N ATOM 550 CA THR A 33 -8.557 0.962 -1.310 1.00 0.00 C ATOM 551 C THR A 33 -10.008 0.995 -0.820 1.00 0.00 C ATOM 552 O THR A 33 -10.529 2.060 -0.514 1.00 0.00 O ATOM 553 CB THR A 33 -8.509 0.969 -2.843 1.00 0.00 C ATOM 554 OG1 THR A 33 -7.177 1.140 -3.296 1.00 0.00 O ATOM 555 CG2 THR A 33 -9.348 2.064 -3.473 1.00 0.00 C ATOM 0 H THR A 33 -7.465 -0.822 -1.488 1.00 0.00 H new ATOM 0 HA THR A 33 -8.058 1.858 -0.942 1.00 0.00 H new ATOM 0 HB THR A 33 -8.918 0.005 -3.147 1.00 0.00 H new ATOM 0 HG1 THR A 33 -6.716 0.275 -3.291 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.265 2.007 -4.558 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.391 1.937 -3.181 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.992 3.036 -3.133 1.00 0.00 H new ATOM 563 N THR A 34 -10.658 -0.168 -0.744 1.00 0.00 N ATOM 564 CA THR A 34 -12.047 -0.229 -0.279 1.00 0.00 C ATOM 565 C THR A 34 -12.143 0.021 1.230 1.00 0.00 C ATOM 566 O THR A 34 -13.097 0.645 1.698 1.00 0.00 O ATOM 567 CB THR A 34 -12.687 -1.579 -0.627 1.00 0.00 C ATOM 568 OG1 THR A 34 -12.614 -1.829 -2.020 1.00 0.00 O ATOM 569 CG2 THR A 34 -14.145 -1.671 -0.225 1.00 0.00 C ATOM 0 H THR A 34 -10.253 -1.070 -0.995 1.00 0.00 H new ATOM 0 HA THR A 34 -12.594 0.561 -0.794 1.00 0.00 H new ATOM 0 HB THR A 34 -12.119 -2.319 -0.062 1.00 0.00 H new ATOM 0 HG1 THR A 34 -11.733 -2.199 -2.240 1.00 0.00 H new ATOM 0 HG21 THR A 34 -14.537 -2.650 -0.499 1.00 0.00 H new ATOM 0 HG22 THR A 34 -14.235 -1.533 0.852 1.00 0.00 H new ATOM 0 HG23 THR A 34 -14.714 -0.896 -0.739 1.00 0.00 H new ATOM 577 N VAL A 35 -11.161 -0.475 1.988 1.00 0.00 N ATOM 578 CA VAL A 35 -11.157 -0.304 3.442 1.00 0.00 C ATOM 579 C VAL A 35 -11.081 1.171 3.841 1.00 0.00 C ATOM 580 O VAL A 35 -11.880 1.640 4.655 1.00 0.00 O ATOM 581 CB VAL A 35 -9.986 -1.060 4.114 1.00 0.00 C ATOM 582 CG1 VAL A 35 -10.044 -0.896 5.627 1.00 0.00 C ATOM 583 CG2 VAL A 35 -9.995 -2.536 3.736 1.00 0.00 C ATOM 0 H VAL A 35 -10.364 -0.995 1.621 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.100 -0.725 3.792 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.054 -0.626 3.752 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -9.213 -1.434 6.083 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -9.975 0.162 5.881 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.986 -1.298 6.001 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -9.161 -3.041 4.223 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -10.932 -2.989 4.059 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.898 -2.635 2.655 1.00 0.00 H new ATOM 593 N PHE A 36 -10.105 1.892 3.285 1.00 0.00 N ATOM 594 CA PHE A 36 -9.917 3.309 3.614 1.00 0.00 C ATOM 595 C PHE A 36 -10.596 4.253 2.612 1.00 0.00 C ATOM 596 O PHE A 36 -10.802 5.430 2.919 1.00 0.00 O ATOM 597 CB PHE A 36 -8.425 3.642 3.697 1.00 0.00 C ATOM 598 CG PHE A 36 -7.648 2.742 4.619 1.00 0.00 C ATOM 599 CD1 PHE A 36 -7.697 2.922 5.993 1.00 0.00 C ATOM 600 CD2 PHE A 36 -6.867 1.718 4.108 1.00 0.00 C ATOM 601 CE1 PHE A 36 -6.979 2.098 6.839 1.00 0.00 C ATOM 602 CE2 PHE A 36 -6.150 0.892 4.949 1.00 0.00 C ATOM 603 CZ PHE A 36 -6.204 1.081 6.317 1.00 0.00 C ATOM 0 H PHE A 36 -9.436 1.522 2.609 1.00 0.00 H new ATOM 0 HA PHE A 36 -10.392 3.466 4.582 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -7.993 3.581 2.698 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -8.311 4.673 4.031 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.303 3.715 6.407 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.819 1.565 3.040 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.024 2.249 7.907 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.546 0.097 4.538 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.642 0.436 6.976 1.00 0.00 H new ATOM 613 N GLY A 37 -10.931 3.753 1.420 1.00 0.00 N ATOM 614 CA GLY A 37 -11.566 4.590 0.413 1.00 0.00 C ATOM 615 C GLY A 37 -10.618 4.966 -0.718 1.00 0.00 C ATOM 616 O GLY A 37 -9.466 4.533 -0.741 1.00 0.00 O ATOM 0 H GLY A 37 -10.774 2.786 1.136 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.428 4.065 0.001 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.941 5.498 0.885 1.00 0.00 H new ATOM 620 N GLN A 38 -11.103 5.774 -1.658 1.00 0.00 N ATOM 621 CA GLN A 38 -10.292 6.211 -2.795 1.00 0.00 C ATOM 622 C GLN A 38 -10.440 7.713 -3.031 1.00 0.00 C ATOM 623 O GLN A 38 -11.448 8.311 -2.650 1.00 0.00 O ATOM 624 CB GLN A 38 -10.682 5.436 -4.064 1.00 0.00 C ATOM 625 CG GLN A 38 -12.121 5.659 -4.516 1.00 0.00 C ATOM 626 CD GLN A 38 -12.993 4.424 -4.352 1.00 0.00 C ATOM 627 OE1 GLN A 38 -12.704 3.546 -3.536 1.00 0.00 O ATOM 628 NE2 GLN A 38 -14.069 4.352 -5.129 1.00 0.00 N ATOM 0 H GLN A 38 -12.055 6.141 -1.656 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.248 6.003 -2.561 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.010 5.724 -4.873 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -10.530 4.371 -3.887 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -12.553 6.480 -3.944 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -12.124 5.963 -5.563 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -14.271 5.101 -5.791 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -14.693 3.548 -5.063 1.00 0.00 H new ATOM 637 N PRO A 39 -9.432 8.347 -3.662 1.00 0.00 N ATOM 638 CA PRO A 39 -8.220 7.676 -4.131 1.00 0.00 C ATOM 639 C PRO A 39 -7.103 7.651 -3.083 1.00 0.00 C ATOM 640 O PRO A 39 -6.943 8.599 -2.309 1.00 0.00 O ATOM 641 CB PRO A 39 -7.821 8.537 -5.327 1.00 0.00 C ATOM 642 CG PRO A 39 -8.277 9.920 -4.980 1.00 0.00 C ATOM 643 CD PRO A 39 -9.403 9.785 -3.977 1.00 0.00 C ATOM 0 HA PRO A 39 -8.389 6.624 -4.362 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -6.744 8.507 -5.493 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -8.295 8.184 -6.243 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.456 10.501 -4.560 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.617 10.447 -5.871 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -9.217 10.385 -3.086 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -10.352 10.121 -4.395 1.00 0.00 H new ATOM 651 N LEU A 40 -6.332 6.562 -3.070 1.00 0.00 N ATOM 652 CA LEU A 40 -5.225 6.408 -2.126 1.00 0.00 C ATOM 653 C LEU A 40 -4.002 5.799 -2.816 1.00 0.00 C ATOM 654 O LEU A 40 -4.132 4.890 -3.639 1.00 0.00 O ATOM 655 CB LEU A 40 -5.649 5.531 -0.944 1.00 0.00 C ATOM 656 CG LEU A 40 -6.504 6.235 0.114 1.00 0.00 C ATOM 657 CD1 LEU A 40 -7.263 5.220 0.950 1.00 0.00 C ATOM 658 CD2 LEU A 40 -5.643 7.116 1.006 1.00 0.00 C ATOM 0 H LEU A 40 -6.455 5.773 -3.704 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.957 7.397 -1.755 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.205 4.675 -1.328 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.753 5.139 -0.463 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.225 6.869 -0.402 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.864 5.740 1.696 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.915 4.631 0.304 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.555 4.559 1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.272 7.606 1.750 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.895 6.503 1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.144 7.871 0.399 1.00 0.00 H new ATOM 670 N ASP A 41 -2.816 6.306 -2.473 1.00 0.00 N ATOM 671 CA ASP A 41 -1.564 5.818 -3.057 1.00 0.00 C ATOM 672 C ASP A 41 -0.711 5.098 -2.009 1.00 0.00 C ATOM 673 O ASP A 41 -0.633 5.532 -0.857 1.00 0.00 O ATOM 674 CB ASP A 41 -0.771 6.982 -3.666 1.00 0.00 C ATOM 675 CG ASP A 41 -1.226 7.337 -5.071 1.00 0.00 C ATOM 676 OD1 ASP A 41 -2.430 7.619 -5.256 1.00 0.00 O ATOM 677 OD2 ASP A 41 -0.375 7.340 -5.986 1.00 0.00 O ATOM 0 H ASP A 41 -2.696 7.056 -1.792 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.815 5.106 -3.843 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.871 7.858 -3.025 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.287 6.722 -3.687 1.00 0.00 H new ATOM 682 N LEU A 42 -0.075 3.995 -2.416 1.00 0.00 N ATOM 683 CA LEU A 42 0.775 3.213 -1.513 1.00 0.00 C ATOM 684 C LEU A 42 2.208 3.750 -1.505 1.00 0.00 C ATOM 685 O LEU A 42 2.912 3.682 -2.515 1.00 0.00 O ATOM 686 CB LEU A 42 0.781 1.730 -1.916 1.00 0.00 C ATOM 687 CG LEU A 42 -0.580 1.140 -2.305 1.00 0.00 C ATOM 688 CD1 LEU A 42 -0.395 -0.035 -3.251 1.00 0.00 C ATOM 689 CD2 LEU A 42 -1.356 0.715 -1.067 1.00 0.00 C ATOM 0 H LEU A 42 -0.133 3.624 -3.364 1.00 0.00 H new ATOM 0 HA LEU A 42 0.360 3.306 -0.509 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.464 1.604 -2.756 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.184 1.149 -1.087 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.156 1.910 -2.818 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.369 -0.444 -3.519 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.118 0.301 -4.152 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.200 -0.806 -2.761 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.318 0.299 -1.366 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.788 -0.039 -0.523 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.518 1.580 -0.424 1.00 0.00 H new ATOM 701 N HIS A 43 2.632 4.286 -0.359 1.00 0.00 N ATOM 702 CA HIS A 43 3.977 4.839 -0.209 1.00 0.00 C ATOM 703 C HIS A 43 4.861 3.912 0.626 1.00 0.00 C ATOM 704 O HIS A 43 4.578 3.667 1.800 1.00 0.00 O ATOM 705 CB HIS A 43 3.903 6.224 0.444 1.00 0.00 C ATOM 706 CG HIS A 43 4.942 7.185 -0.047 1.00 0.00 C ATOM 707 ND1 HIS A 43 4.933 8.526 0.274 1.00 0.00 N ATOM 708 CD2 HIS A 43 6.022 6.997 -0.839 1.00 0.00 C ATOM 709 CE1 HIS A 43 5.964 9.121 -0.302 1.00 0.00 C ATOM 710 NE2 HIS A 43 6.642 8.214 -0.984 1.00 0.00 N ATOM 0 H HIS A 43 2.059 4.348 0.482 1.00 0.00 H new ATOM 0 HA HIS A 43 4.422 4.931 -1.200 1.00 0.00 H new ATOM 0 HB2 HIS A 43 2.916 6.648 0.262 1.00 0.00 H new ATOM 0 HB3 HIS A 43 4.008 6.112 1.523 1.00 0.00 H new ATOM 0 HD1 HIS A 43 4.240 8.987 0.863 1.00 0.00 H new ATOM 0 HD2 HIS A 43 6.339 6.062 -1.277 1.00 0.00 H new ATOM 0 HE1 HIS A 43 6.210 10.170 -0.228 1.00 0.00 H new ATOM 719 N TYR A 44 5.932 3.399 0.019 1.00 0.00 N ATOM 720 CA TYR A 44 6.852 2.502 0.709 1.00 0.00 C ATOM 721 C TYR A 44 8.168 3.212 1.018 1.00 0.00 C ATOM 722 O TYR A 44 8.840 3.713 0.117 1.00 0.00 O ATOM 723 CB TYR A 44 7.104 1.253 -0.146 1.00 0.00 C ATOM 724 CG TYR A 44 8.240 0.380 0.345 1.00 0.00 C ATOM 725 CD1 TYR A 44 9.559 0.691 0.040 1.00 0.00 C ATOM 726 CD2 TYR A 44 7.994 -0.757 1.106 1.00 0.00 C ATOM 727 CE1 TYR A 44 10.602 -0.103 0.480 1.00 0.00 C ATOM 728 CE2 TYR A 44 9.030 -1.558 1.549 1.00 0.00 C ATOM 729 CZ TYR A 44 10.332 -1.226 1.234 1.00 0.00 C ATOM 730 OH TYR A 44 11.366 -2.022 1.672 1.00 0.00 O ATOM 0 H TYR A 44 6.182 3.592 -0.951 1.00 0.00 H new ATOM 0 HA TYR A 44 6.401 2.198 1.654 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.191 0.658 -0.177 1.00 0.00 H new ATOM 0 HB3 TYR A 44 7.316 1.564 -1.169 1.00 0.00 H new ATOM 0 HD1 TYR A 44 9.774 1.569 -0.551 1.00 0.00 H new ATOM 0 HD2 TYR A 44 6.976 -1.019 1.355 1.00 0.00 H new ATOM 0 HE1 TYR A 44 11.622 0.155 0.235 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.822 -2.439 2.138 1.00 0.00 H new ATOM 0 HH TYR A 44 11.005 -2.771 2.191 1.00 0.00 H new ATOM 740 N MET A 45 8.535 3.249 2.295 1.00 0.00 N ATOM 741 CA MET A 45 9.775 3.895 2.719 1.00 0.00 C ATOM 742 C MET A 45 10.782 2.853 3.197 1.00 0.00 C ATOM 743 O MET A 45 10.462 2.014 4.042 1.00 0.00 O ATOM 744 CB MET A 45 9.500 4.914 3.829 1.00 0.00 C ATOM 745 CG MET A 45 8.365 5.876 3.509 1.00 0.00 C ATOM 746 SD MET A 45 7.636 6.609 4.987 1.00 0.00 S ATOM 747 CE MET A 45 8.800 7.928 5.324 1.00 0.00 C ATOM 0 H MET A 45 7.992 2.840 3.055 1.00 0.00 H new ATOM 0 HA MET A 45 10.197 4.421 1.863 1.00 0.00 H new ATOM 0 HB2 MET A 45 9.263 4.380 4.749 1.00 0.00 H new ATOM 0 HB3 MET A 45 10.408 5.487 4.017 1.00 0.00 H new ATOM 0 HG2 MET A 45 8.738 6.669 2.861 1.00 0.00 H new ATOM 0 HG3 MET A 45 7.592 5.347 2.952 1.00 0.00 H new ATOM 0 HE1 MET A 45 8.484 8.474 6.213 1.00 0.00 H new ATOM 0 HE2 MET A 45 9.791 7.505 5.492 1.00 0.00 H new ATOM 0 HE3 MET A 45 8.835 8.608 4.473 1.00 0.00 H new ATOM 757 N ASN A 46 11.997 2.909 2.653 1.00 0.00 N ATOM 758 CA ASN A 46 13.050 1.964 3.025 1.00 0.00 C ATOM 759 C ASN A 46 13.554 2.246 4.439 1.00 0.00 C ATOM 760 O ASN A 46 13.526 1.369 5.305 1.00 0.00 O ATOM 761 CB ASN A 46 14.213 2.039 2.029 1.00 0.00 C ATOM 762 CG ASN A 46 14.667 0.665 1.569 1.00 0.00 C ATOM 763 OD1 ASN A 46 13.978 0.002 0.795 1.00 0.00 O ATOM 764 ND2 ASN A 46 15.827 0.231 2.047 1.00 0.00 N ATOM 0 H ASN A 46 12.277 3.597 1.954 1.00 0.00 H new ATOM 0 HA ASN A 46 12.629 0.959 3.000 1.00 0.00 H new ATOM 0 HB2 ASN A 46 13.910 2.628 1.163 1.00 0.00 H new ATOM 0 HB3 ASN A 46 15.051 2.560 2.491 1.00 0.00 H new ATOM 0 HD21 ASN A 46 16.180 -0.686 1.774 1.00 0.00 H new ATOM 0 HD22 ASN A 46 16.365 0.815 2.687 1.00 0.00 H new ATOM 771 N ASN A 47 14.007 3.481 4.658 1.00 0.00 N ATOM 772 CA ASN A 47 14.517 3.910 5.961 1.00 0.00 C ATOM 773 C ASN A 47 14.935 5.378 5.910 1.00 0.00 C ATOM 774 O ASN A 47 14.496 6.188 6.730 1.00 0.00 O ATOM 775 CB ASN A 47 15.705 3.044 6.400 1.00 0.00 C ATOM 776 CG ASN A 47 15.472 2.375 7.746 1.00 0.00 C ATOM 777 OD1 ASN A 47 14.708 2.870 8.576 1.00 0.00 O ATOM 778 ND2 ASN A 47 16.134 1.245 7.973 1.00 0.00 N ATOM 0 H ASN A 47 14.031 4.208 3.943 1.00 0.00 H new ATOM 0 HA ASN A 47 13.716 3.791 6.691 1.00 0.00 H new ATOM 0 HB2 ASN A 47 15.892 2.280 5.646 1.00 0.00 H new ATOM 0 HB3 ASN A 47 16.601 3.663 6.456 1.00 0.00 H new ATOM 0 HD21 ASN A 47 16.018 0.756 8.860 1.00 0.00 H new ATOM 0 HD22 ASN A 47 16.758 0.867 7.260 1.00 0.00 H new ATOM 785 N GLU A 48 15.784 5.711 4.936 1.00 0.00 N ATOM 786 CA GLU A 48 16.265 7.079 4.761 1.00 0.00 C ATOM 787 C GLU A 48 15.583 7.768 3.571 1.00 0.00 C ATOM 788 O GLU A 48 15.419 8.990 3.572 1.00 0.00 O ATOM 789 CB GLU A 48 17.784 7.085 4.572 1.00 0.00 C ATOM 790 CG GLU A 48 18.553 6.622 5.801 1.00 0.00 C ATOM 791 CD GLU A 48 19.866 5.946 5.453 1.00 0.00 C ATOM 792 OE1 GLU A 48 19.830 4.823 4.909 1.00 0.00 O ATOM 793 OE2 GLU A 48 20.929 6.542 5.725 1.00 0.00 O ATOM 0 H GLU A 48 16.153 5.048 4.255 1.00 0.00 H new ATOM 0 HA GLU A 48 16.012 7.638 5.662 1.00 0.00 H new ATOM 0 HB2 GLU A 48 18.039 6.441 3.730 1.00 0.00 H new ATOM 0 HB3 GLU A 48 18.105 8.093 4.311 1.00 0.00 H new ATOM 0 HG2 GLU A 48 18.750 7.479 6.445 1.00 0.00 H new ATOM 0 HG3 GLU A 48 17.934 5.930 6.372 1.00 0.00 H new ATOM 800 N LEU A 49 15.191 6.984 2.555 1.00 0.00 N ATOM 801 CA LEU A 49 14.535 7.536 1.366 1.00 0.00 C ATOM 802 C LEU A 49 13.134 6.952 1.176 1.00 0.00 C ATOM 803 O LEU A 49 12.812 5.891 1.716 1.00 0.00 O ATOM 804 CB LEU A 49 15.387 7.264 0.120 1.00 0.00 C ATOM 805 CG LEU A 49 15.476 8.426 -0.876 1.00 0.00 C ATOM 806 CD1 LEU A 49 16.651 9.332 -0.542 1.00 0.00 C ATOM 807 CD2 LEU A 49 15.592 7.898 -2.300 1.00 0.00 C ATOM 0 H LEU A 49 15.317 5.972 2.535 1.00 0.00 H new ATOM 0 HA LEU A 49 14.435 8.612 1.510 1.00 0.00 H new ATOM 0 HB2 LEU A 49 16.396 7.002 0.439 1.00 0.00 H new ATOM 0 HB3 LEU A 49 14.980 6.394 -0.396 1.00 0.00 H new ATOM 0 HG LEU A 49 14.562 9.014 -0.800 1.00 0.00 H new ATOM 0 HD11 LEU A 49 16.696 10.150 -1.261 1.00 0.00 H new ATOM 0 HD12 LEU A 49 16.524 9.738 0.462 1.00 0.00 H new ATOM 0 HD13 LEU A 49 17.577 8.759 -0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 49 15.654 8.736 -2.995 1.00 0.00 H new ATOM 0 HD22 LEU A 49 16.489 7.285 -2.389 1.00 0.00 H new ATOM 0 HD23 LEU A 49 14.716 7.295 -2.537 1.00 0.00 H new ATOM 819 N SER A 50 12.309 7.658 0.395 1.00 0.00 N ATOM 820 CA SER A 50 10.941 7.223 0.115 1.00 0.00 C ATOM 821 C SER A 50 10.826 6.655 -1.298 1.00 0.00 C ATOM 822 O SER A 50 11.301 7.263 -2.260 1.00 0.00 O ATOM 823 CB SER A 50 9.962 8.392 0.285 1.00 0.00 C ATOM 824 OG SER A 50 9.452 8.444 1.606 1.00 0.00 O ATOM 0 H SER A 50 12.569 8.536 -0.055 1.00 0.00 H new ATOM 0 HA SER A 50 10.687 6.437 0.827 1.00 0.00 H new ATOM 0 HB2 SER A 50 10.466 9.329 0.050 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.139 8.286 -0.422 1.00 0.00 H new ATOM 0 HG SER A 50 8.832 9.199 1.688 1.00 0.00 H new ATOM 830 N ILE A 51 10.191 5.488 -1.414 1.00 0.00 N ATOM 831 CA ILE A 51 10.006 4.831 -2.707 1.00 0.00 C ATOM 832 C ILE A 51 8.521 4.736 -3.064 1.00 0.00 C ATOM 833 O ILE A 51 7.697 4.345 -2.235 1.00 0.00 O ATOM 834 CB ILE A 51 10.621 3.410 -2.716 1.00 0.00 C ATOM 835 CG1 ILE A 51 12.044 3.426 -2.133 1.00 0.00 C ATOM 836 CG2 ILE A 51 10.633 2.834 -4.126 1.00 0.00 C ATOM 837 CD1 ILE A 51 13.006 4.335 -2.877 1.00 0.00 C ATOM 0 H ILE A 51 9.795 4.977 -0.625 1.00 0.00 H new ATOM 0 HA ILE A 51 10.520 5.441 -3.449 1.00 0.00 H new ATOM 0 HB ILE A 51 9.999 2.772 -2.088 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.995 3.741 -1.091 1.00 0.00 H new ATOM 0 HG13 ILE A 51 12.440 2.411 -2.141 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.069 1.835 -4.107 1.00 0.00 H new ATOM 0 HG22 ILE A 51 9.612 2.777 -4.504 1.00 0.00 H new ATOM 0 HG23 ILE A 51 11.226 3.477 -4.777 1.00 0.00 H new ATOM 0 HD11 ILE A 51 13.987 4.291 -2.405 1.00 0.00 H new ATOM 0 HD12 ILE A 51 13.087 4.008 -3.914 1.00 0.00 H new ATOM 0 HD13 ILE A 51 12.635 5.360 -2.847 1.00 0.00 H new ATOM 849 N LEU A 52 8.183 5.092 -4.303 1.00 0.00 N ATOM 850 CA LEU A 52 6.798 5.041 -4.763 1.00 0.00 C ATOM 851 C LEU A 52 6.572 3.839 -5.679 1.00 0.00 C ATOM 852 O LEU A 52 7.273 3.672 -6.679 1.00 0.00 O ATOM 853 CB LEU A 52 6.431 6.337 -5.497 1.00 0.00 C ATOM 854 CG LEU A 52 5.461 7.259 -4.750 1.00 0.00 C ATOM 855 CD1 LEU A 52 5.222 8.538 -5.541 1.00 0.00 C ATOM 856 CD2 LEU A 52 4.144 6.546 -4.479 1.00 0.00 C ATOM 0 H LEU A 52 8.849 5.418 -5.004 1.00 0.00 H new ATOM 0 HA LEU A 52 6.155 4.934 -3.889 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.347 6.891 -5.703 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.992 6.078 -6.460 1.00 0.00 H new ATOM 0 HG LEU A 52 5.911 7.525 -3.793 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.531 9.180 -4.995 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.168 9.061 -5.682 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.796 8.290 -6.513 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.469 7.217 -3.948 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.690 6.248 -5.424 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.328 5.661 -3.870 1.00 0.00 H new ATOM 868 N LEU A 53 5.587 3.007 -5.334 1.00 0.00 N ATOM 869 CA LEU A 53 5.266 1.819 -6.127 1.00 0.00 C ATOM 870 C LEU A 53 3.829 1.870 -6.653 1.00 0.00 C ATOM 871 O LEU A 53 2.874 1.671 -5.899 1.00 0.00 O ATOM 872 CB LEU A 53 5.484 0.536 -5.305 1.00 0.00 C ATOM 873 CG LEU A 53 4.797 0.494 -3.934 1.00 0.00 C ATOM 874 CD1 LEU A 53 3.685 -0.544 -3.918 1.00 0.00 C ATOM 875 CD2 LEU A 53 5.815 0.199 -2.841 1.00 0.00 C ATOM 0 H LEU A 53 4.998 3.134 -4.511 1.00 0.00 H new ATOM 0 HA LEU A 53 5.941 1.806 -6.983 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.133 -0.313 -5.892 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.555 0.400 -5.157 1.00 0.00 H new ATOM 0 HG LEU A 53 4.353 1.471 -3.744 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.212 -0.556 -2.936 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.942 -0.293 -4.675 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.103 -1.528 -4.131 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.313 0.172 -1.874 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.285 -0.766 -3.033 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.577 0.979 -2.833 1.00 0.00 H new ATOM 887 N LYS A 54 3.687 2.130 -7.952 1.00 0.00 N ATOM 888 CA LYS A 54 2.369 2.199 -8.586 1.00 0.00 C ATOM 889 C LYS A 54 2.122 0.979 -9.483 1.00 0.00 C ATOM 890 O LYS A 54 0.991 0.500 -9.588 1.00 0.00 O ATOM 891 CB LYS A 54 2.227 3.491 -9.397 1.00 0.00 C ATOM 892 CG LYS A 54 0.953 4.268 -9.084 1.00 0.00 C ATOM 893 CD LYS A 54 0.933 5.626 -9.775 1.00 0.00 C ATOM 894 CE LYS A 54 0.032 5.619 -11.002 1.00 0.00 C ATOM 895 NZ LYS A 54 -0.098 6.974 -11.610 1.00 0.00 N ATOM 0 H LYS A 54 4.468 2.296 -8.587 1.00 0.00 H new ATOM 0 HA LYS A 54 1.619 2.198 -7.795 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.089 4.129 -9.203 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.243 3.248 -10.459 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.086 3.687 -9.400 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.868 4.407 -8.006 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.588 6.386 -9.074 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.946 5.900 -10.069 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.434 4.927 -11.742 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.955 5.251 -10.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.720 6.923 -12.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.505 7.630 -10.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.840 7.316 -11.900 1.00 0.00 H new ATOM 909 N ASN A 55 3.186 0.479 -10.124 1.00 0.00 N ATOM 910 CA ASN A 55 3.086 -0.687 -11.006 1.00 0.00 C ATOM 911 C ASN A 55 3.510 -1.960 -10.274 1.00 0.00 C ATOM 912 O ASN A 55 4.116 -1.896 -9.203 1.00 0.00 O ATOM 913 CB ASN A 55 3.961 -0.491 -12.251 1.00 0.00 C ATOM 914 CG ASN A 55 3.304 0.391 -13.298 1.00 0.00 C ATOM 915 OD1 ASN A 55 2.135 0.205 -13.639 1.00 0.00 O ATOM 916 ND2 ASN A 55 4.051 1.361 -13.816 1.00 0.00 N ATOM 0 H ASN A 55 4.127 0.866 -10.047 1.00 0.00 H new ATOM 0 HA ASN A 55 2.045 -0.790 -11.312 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.912 -0.049 -11.955 1.00 0.00 H new ATOM 0 HB3 ASN A 55 4.184 -1.464 -12.690 1.00 0.00 H new ATOM 0 HD21 ASN A 55 3.660 1.984 -14.523 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.015 1.482 -13.507 1.00 0.00 H new ATOM 923 N GLN A 56 3.195 -3.117 -10.866 1.00 0.00 N ATOM 924 CA GLN A 56 3.556 -4.405 -10.273 1.00 0.00 C ATOM 925 C GLN A 56 5.073 -4.561 -10.182 1.00 0.00 C ATOM 926 O GLN A 56 5.586 -5.144 -9.227 1.00 0.00 O ATOM 927 CB GLN A 56 2.963 -5.565 -11.082 1.00 0.00 C ATOM 928 CG GLN A 56 1.779 -6.238 -10.405 1.00 0.00 C ATOM 929 CD GLN A 56 1.911 -7.749 -10.349 1.00 0.00 C ATOM 930 OE1 GLN A 56 1.930 -8.421 -11.381 1.00 0.00 O ATOM 931 NE2 GLN A 56 2.001 -8.295 -9.140 1.00 0.00 N ATOM 0 H GLN A 56 2.693 -3.186 -11.751 1.00 0.00 H new ATOM 0 HA GLN A 56 3.141 -4.430 -9.265 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.650 -5.193 -12.058 1.00 0.00 H new ATOM 0 HB3 GLN A 56 3.740 -6.308 -11.259 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.677 -5.849 -9.392 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.865 -5.978 -10.939 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.981 -7.702 -8.310 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.090 -9.306 -9.043 1.00 0.00 H new ATOM 940 N ASP A 57 5.790 -4.032 -11.182 1.00 0.00 N ATOM 941 CA ASP A 57 7.252 -4.109 -11.211 1.00 0.00 C ATOM 942 C ASP A 57 7.858 -3.583 -9.909 1.00 0.00 C ATOM 943 O ASP A 57 8.737 -4.219 -9.325 1.00 0.00 O ATOM 944 CB ASP A 57 7.804 -3.312 -12.398 1.00 0.00 C ATOM 945 CG ASP A 57 8.991 -3.996 -13.050 1.00 0.00 C ATOM 946 OD1 ASP A 57 10.044 -4.121 -12.387 1.00 0.00 O ATOM 947 OD2 ASP A 57 8.869 -4.405 -14.223 1.00 0.00 O ATOM 0 H ASP A 57 5.380 -3.547 -11.980 1.00 0.00 H new ATOM 0 HA ASP A 57 7.529 -5.157 -11.322 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.016 -3.174 -13.138 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.101 -2.319 -12.060 1.00 0.00 H new ATOM 952 N ASP A 58 7.384 -2.420 -9.457 1.00 0.00 N ATOM 953 CA ASP A 58 7.879 -1.813 -8.222 1.00 0.00 C ATOM 954 C ASP A 58 7.509 -2.660 -7.003 1.00 0.00 C ATOM 955 O ASP A 58 8.250 -2.701 -6.020 1.00 0.00 O ATOM 956 CB ASP A 58 7.336 -0.393 -8.066 1.00 0.00 C ATOM 957 CG ASP A 58 8.385 0.564 -7.534 1.00 0.00 C ATOM 958 OD1 ASP A 58 8.664 0.526 -6.318 1.00 0.00 O ATOM 959 OD2 ASP A 58 8.932 1.348 -8.338 1.00 0.00 O ATOM 0 H ASP A 58 6.658 -1.881 -9.929 1.00 0.00 H new ATOM 0 HA ASP A 58 8.966 -1.767 -8.285 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.976 -0.035 -9.030 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.481 -0.405 -7.390 1.00 0.00 H new ATOM 964 N LEU A 59 6.365 -3.343 -7.073 1.00 0.00 N ATOM 965 CA LEU A 59 5.919 -4.200 -5.977 1.00 0.00 C ATOM 966 C LEU A 59 6.770 -5.471 -5.908 1.00 0.00 C ATOM 967 O LEU A 59 7.102 -5.944 -4.822 1.00 0.00 O ATOM 968 CB LEU A 59 4.444 -4.576 -6.151 1.00 0.00 C ATOM 969 CG LEU A 59 3.803 -5.248 -4.932 1.00 0.00 C ATOM 970 CD1 LEU A 59 3.215 -4.204 -3.994 1.00 0.00 C ATOM 971 CD2 LEU A 59 2.740 -6.248 -5.367 1.00 0.00 C ATOM 0 H LEU A 59 5.734 -3.319 -7.874 1.00 0.00 H new ATOM 0 HA LEU A 59 6.035 -3.644 -5.046 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.880 -3.674 -6.390 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.353 -5.245 -7.007 1.00 0.00 H new ATOM 0 HG LEU A 59 4.578 -5.792 -4.392 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.764 -4.700 -3.134 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.005 -3.535 -3.654 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.454 -3.629 -4.521 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.297 -6.714 -4.487 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.965 -5.732 -5.933 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.196 -7.015 -5.993 1.00 0.00 H new ATOM 983 N ASP A 60 7.116 -6.016 -7.077 1.00 0.00 N ATOM 984 CA ASP A 60 7.923 -7.235 -7.156 1.00 0.00 C ATOM 985 C ASP A 60 9.301 -7.029 -6.529 1.00 0.00 C ATOM 986 O ASP A 60 9.784 -7.884 -5.784 1.00 0.00 O ATOM 987 CB ASP A 60 8.079 -7.676 -8.614 1.00 0.00 C ATOM 988 CG ASP A 60 6.940 -8.566 -9.079 1.00 0.00 C ATOM 989 OD1 ASP A 60 5.775 -8.117 -9.031 1.00 0.00 O ATOM 990 OD2 ASP A 60 7.215 -9.712 -9.491 1.00 0.00 O ATOM 0 H ASP A 60 6.849 -5.631 -7.983 1.00 0.00 H new ATOM 0 HA ASP A 60 7.404 -8.014 -6.597 1.00 0.00 H new ATOM 0 HB2 ASP A 60 8.131 -6.794 -9.253 1.00 0.00 H new ATOM 0 HB3 ASP A 60 9.023 -8.209 -8.730 1.00 0.00 H new ATOM 995 N LYS A 61 9.927 -5.885 -6.824 1.00 0.00 N ATOM 996 CA LYS A 61 11.245 -5.573 -6.274 1.00 0.00 C ATOM 997 C LYS A 61 11.169 -5.375 -4.761 1.00 0.00 C ATOM 998 O LYS A 61 12.063 -5.798 -4.032 1.00 0.00 O ATOM 999 CB LYS A 61 11.845 -4.327 -6.948 1.00 0.00 C ATOM 1000 CG LYS A 61 10.967 -3.083 -6.887 1.00 0.00 C ATOM 1001 CD LYS A 61 11.759 -1.825 -7.214 1.00 0.00 C ATOM 1002 CE LYS A 61 12.110 -1.750 -8.694 1.00 0.00 C ATOM 1003 NZ LYS A 61 10.987 -1.208 -9.513 1.00 0.00 N ATOM 0 H LYS A 61 9.543 -5.166 -7.437 1.00 0.00 H new ATOM 0 HA LYS A 61 11.900 -6.420 -6.479 1.00 0.00 H new ATOM 0 HB2 LYS A 61 12.802 -4.102 -6.478 1.00 0.00 H new ATOM 0 HB3 LYS A 61 12.050 -4.559 -7.993 1.00 0.00 H new ATOM 0 HG2 LYS A 61 10.139 -3.186 -7.589 1.00 0.00 H new ATOM 0 HG3 LYS A 61 10.532 -2.992 -5.892 1.00 0.00 H new ATOM 0 HD2 LYS A 61 11.179 -0.946 -6.932 1.00 0.00 H new ATOM 0 HD3 LYS A 61 12.674 -1.806 -6.622 1.00 0.00 H new ATOM 0 HE2 LYS A 61 12.990 -1.120 -8.825 1.00 0.00 H new ATOM 0 HE3 LYS A 61 12.373 -2.745 -9.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.370 -0.723 -10.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.371 -1.989 -9.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.436 -0.534 -8.944 1.00 0.00 H new ATOM 1017 N ALA A 62 10.093 -4.733 -4.296 1.00 0.00 N ATOM 1018 CA ALA A 62 9.905 -4.484 -2.868 1.00 0.00 C ATOM 1019 C ALA A 62 9.774 -5.790 -2.082 1.00 0.00 C ATOM 1020 O ALA A 62 10.390 -5.949 -1.029 1.00 0.00 O ATOM 1021 CB ALA A 62 8.690 -3.598 -2.631 1.00 0.00 C ATOM 0 H ALA A 62 9.342 -4.378 -4.888 1.00 0.00 H new ATOM 0 HA ALA A 62 10.792 -3.965 -2.507 1.00 0.00 H new ATOM 0 HB1 ALA A 62 8.569 -3.425 -1.562 1.00 0.00 H new ATOM 0 HB2 ALA A 62 8.831 -2.644 -3.139 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.799 -4.089 -3.023 1.00 0.00 H new ATOM 1027 N ILE A 63 8.974 -6.724 -2.604 1.00 0.00 N ATOM 1028 CA ILE A 63 8.777 -8.016 -1.945 1.00 0.00 C ATOM 1029 C ILE A 63 10.068 -8.830 -1.946 1.00 0.00 C ATOM 1030 O ILE A 63 10.407 -9.467 -0.948 1.00 0.00 O ATOM 1031 CB ILE A 63 7.656 -8.845 -2.615 1.00 0.00 C ATOM 1032 CG1 ILE A 63 6.360 -8.031 -2.704 1.00 0.00 C ATOM 1033 CG2 ILE A 63 7.419 -10.139 -1.841 1.00 0.00 C ATOM 1034 CD1 ILE A 63 5.476 -8.418 -3.872 1.00 0.00 C ATOM 0 H ILE A 63 8.456 -6.610 -3.475 1.00 0.00 H new ATOM 0 HA ILE A 63 8.480 -7.799 -0.919 1.00 0.00 H new ATOM 0 HB ILE A 63 7.973 -9.096 -3.627 1.00 0.00 H new ATOM 0 HG12 ILE A 63 5.799 -8.156 -1.778 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.611 -6.973 -2.784 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.628 -10.712 -2.324 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.336 -10.728 -1.827 1.00 0.00 H new ATOM 0 HG23 ILE A 63 7.124 -9.903 -0.819 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.578 -7.800 -3.869 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.019 -8.266 -4.805 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.194 -9.467 -3.783 1.00 0.00 H new ATOM 1046 N ASP A 64 10.789 -8.800 -3.070 1.00 0.00 N ATOM 1047 CA ASP A 64 12.046 -9.533 -3.195 1.00 0.00 C ATOM 1048 C ASP A 64 13.017 -9.151 -2.079 1.00 0.00 C ATOM 1049 O ASP A 64 13.638 -10.021 -1.467 1.00 0.00 O ATOM 1050 CB ASP A 64 12.692 -9.268 -4.559 1.00 0.00 C ATOM 1051 CG ASP A 64 13.533 -10.439 -5.034 1.00 0.00 C ATOM 1052 OD1 ASP A 64 14.709 -10.530 -4.623 1.00 0.00 O ATOM 1053 OD2 ASP A 64 13.016 -11.261 -5.817 1.00 0.00 O ATOM 0 H ASP A 64 10.522 -8.276 -3.904 1.00 0.00 H new ATOM 0 HA ASP A 64 11.820 -10.596 -3.110 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.914 -9.061 -5.293 1.00 0.00 H new ATOM 0 HB3 ASP A 64 13.316 -8.377 -4.496 1.00 0.00 H new ATOM 1058 N ILE A 65 13.135 -7.848 -1.812 1.00 0.00 N ATOM 1059 CA ILE A 65 14.028 -7.361 -0.759 1.00 0.00 C ATOM 1060 C ILE A 65 13.558 -7.842 0.615 1.00 0.00 C ATOM 1061 O ILE A 65 14.366 -8.270 1.439 1.00 0.00 O ATOM 1062 CB ILE A 65 14.129 -5.816 -0.748 1.00 0.00 C ATOM 1063 CG1 ILE A 65 14.489 -5.283 -2.142 1.00 0.00 C ATOM 1064 CG2 ILE A 65 15.161 -5.355 0.276 1.00 0.00 C ATOM 1065 CD1 ILE A 65 13.960 -3.890 -2.414 1.00 0.00 C ATOM 0 H ILE A 65 12.627 -7.116 -2.307 1.00 0.00 H new ATOM 0 HA ILE A 65 15.016 -7.768 -0.975 1.00 0.00 H new ATOM 0 HB ILE A 65 13.155 -5.415 -0.467 1.00 0.00 H new ATOM 0 HG12 ILE A 65 15.574 -5.278 -2.251 1.00 0.00 H new ATOM 0 HG13 ILE A 65 14.096 -5.965 -2.895 1.00 0.00 H new ATOM 0 HG21 ILE A 65 15.219 -4.267 0.270 1.00 0.00 H new ATOM 0 HG22 ILE A 65 14.867 -5.697 1.268 1.00 0.00 H new ATOM 0 HG23 ILE A 65 16.136 -5.771 0.023 1.00 0.00 H new ATOM 0 HD11 ILE A 65 14.253 -3.579 -3.417 1.00 0.00 H new ATOM 0 HD12 ILE A 65 12.873 -3.892 -2.338 1.00 0.00 H new ATOM 0 HD13 ILE A 65 14.373 -3.195 -1.683 1.00 0.00 H new ATOM 1077 N LEU A 66 12.246 -7.771 0.851 1.00 0.00 N ATOM 1078 CA LEU A 66 11.667 -8.202 2.123 1.00 0.00 C ATOM 1079 C LEU A 66 11.913 -9.693 2.364 1.00 0.00 C ATOM 1080 O LEU A 66 12.334 -10.088 3.451 1.00 0.00 O ATOM 1081 CB LEU A 66 10.162 -7.911 2.147 1.00 0.00 C ATOM 1082 CG LEU A 66 9.549 -7.748 3.541 1.00 0.00 C ATOM 1083 CD1 LEU A 66 9.947 -6.411 4.152 1.00 0.00 C ATOM 1084 CD2 LEU A 66 8.034 -7.875 3.469 1.00 0.00 C ATOM 0 H LEU A 66 11.566 -7.419 0.177 1.00 0.00 H new ATOM 0 HA LEU A 66 12.154 -7.641 2.921 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.976 -7.001 1.577 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.644 -8.720 1.633 1.00 0.00 H new ATOM 0 HG LEU A 66 9.934 -8.541 4.182 1.00 0.00 H new ATOM 0 HD11 LEU A 66 9.501 -6.316 5.142 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.032 -6.358 4.237 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.593 -5.600 3.515 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.611 -7.757 4.467 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.635 -7.102 2.812 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.769 -8.857 3.077 1.00 0.00 H new ATOM 1096 N ASP A 67 11.650 -10.516 1.346 1.00 0.00 N ATOM 1097 CA ASP A 67 11.845 -11.965 1.454 1.00 0.00 C ATOM 1098 C ASP A 67 13.323 -12.313 1.643 1.00 0.00 C ATOM 1099 O ASP A 67 13.658 -13.231 2.394 1.00 0.00 O ATOM 1100 CB ASP A 67 11.291 -12.678 0.216 1.00 0.00 C ATOM 1101 CG ASP A 67 9.848 -13.117 0.396 1.00 0.00 C ATOM 1102 OD1 ASP A 67 8.938 -12.314 0.090 1.00 0.00 O ATOM 1103 OD2 ASP A 67 9.627 -14.262 0.840 1.00 0.00 O ATOM 0 H ASP A 67 11.302 -10.205 0.439 1.00 0.00 H new ATOM 0 HA ASP A 67 11.299 -12.308 2.333 1.00 0.00 H new ATOM 0 HB2 ASP A 67 11.360 -12.012 -0.644 1.00 0.00 H new ATOM 0 HB3 ASP A 67 11.908 -13.549 -0.004 1.00 0.00 H new ATOM 1108 N ARG A 68 14.202 -11.570 0.966 1.00 0.00 N ATOM 1109 CA ARG A 68 15.643 -11.796 1.069 1.00 0.00 C ATOM 1110 C ARG A 68 16.178 -11.326 2.423 1.00 0.00 C ATOM 1111 O ARG A 68 17.095 -11.931 2.981 1.00 0.00 O ATOM 1112 CB ARG A 68 16.380 -11.068 -0.060 1.00 0.00 C ATOM 1113 CG ARG A 68 17.525 -11.867 -0.658 1.00 0.00 C ATOM 1114 CD ARG A 68 17.038 -12.806 -1.751 1.00 0.00 C ATOM 1115 NE ARG A 68 17.935 -13.947 -1.939 1.00 0.00 N ATOM 1116 CZ ARG A 68 17.883 -14.778 -2.986 1.00 0.00 C ATOM 1117 NH1 ARG A 68 16.982 -14.601 -3.950 1.00 0.00 N ATOM 1118 NH2 ARG A 68 18.739 -15.792 -3.068 1.00 0.00 N ATOM 0 H ARG A 68 13.940 -10.807 0.341 1.00 0.00 H new ATOM 0 HA ARG A 68 15.820 -12.868 0.980 1.00 0.00 H new ATOM 0 HB2 ARG A 68 15.668 -10.825 -0.849 1.00 0.00 H new ATOM 0 HB3 ARG A 68 16.768 -10.124 0.322 1.00 0.00 H new ATOM 0 HG2 ARG A 68 18.271 -11.186 -1.068 1.00 0.00 H new ATOM 0 HG3 ARG A 68 18.016 -12.443 0.126 1.00 0.00 H new ATOM 0 HD2 ARG A 68 16.041 -13.167 -1.500 1.00 0.00 H new ATOM 0 HD3 ARG A 68 16.951 -12.256 -2.688 1.00 0.00 H new ATOM 0 HE ARG A 68 18.645 -14.119 -1.227 1.00 0.00 H new ATOM 0 HH11 ARG A 68 16.322 -13.825 -3.895 1.00 0.00 H new ATOM 0 HH12 ARG A 68 16.952 -15.241 -4.744 1.00 0.00 H new ATOM 0 HH21 ARG A 68 19.433 -15.934 -2.334 1.00 0.00 H new ATOM 0 HH22 ARG A 68 18.702 -16.427 -3.865 1.00 0.00 H new ATOM 1132 N SER A 69 15.603 -10.240 2.942 1.00 0.00 N ATOM 1133 CA SER A 69 16.022 -9.683 4.226 1.00 0.00 C ATOM 1134 C SER A 69 15.487 -10.512 5.395 1.00 0.00 C ATOM 1135 O SER A 69 14.286 -10.776 5.483 1.00 0.00 O ATOM 1136 CB SER A 69 15.541 -8.234 4.358 1.00 0.00 C ATOM 1137 OG SER A 69 16.258 -7.538 5.370 1.00 0.00 O ATOM 0 H SER A 69 14.844 -9.729 2.491 1.00 0.00 H new ATOM 0 HA SER A 69 17.111 -9.709 4.259 1.00 0.00 H new ATOM 0 HB2 SER A 69 15.664 -7.720 3.405 1.00 0.00 H new ATOM 0 HB3 SER A 69 14.476 -8.223 4.591 1.00 0.00 H new ATOM 0 HG SER A 69 16.955 -6.986 4.957 1.00 0.00 H new ATOM 1143 N SER A 70 16.385 -10.903 6.302 1.00 0.00 N ATOM 1144 CA SER A 70 16.004 -11.686 7.477 1.00 0.00 C ATOM 1145 C SER A 70 15.302 -10.805 8.514 1.00 0.00 C ATOM 1146 O SER A 70 14.348 -11.238 9.163 1.00 0.00 O ATOM 1147 CB SER A 70 17.234 -12.348 8.106 1.00 0.00 C ATOM 1148 OG SER A 70 18.261 -11.399 8.343 1.00 0.00 O ATOM 0 H SER A 70 17.381 -10.690 6.244 1.00 0.00 H new ATOM 0 HA SER A 70 15.312 -12.463 7.152 1.00 0.00 H new ATOM 0 HB2 SER A 70 16.953 -12.826 9.044 1.00 0.00 H new ATOM 0 HB3 SER A 70 17.605 -13.133 7.447 1.00 0.00 H new ATOM 0 HG SER A 70 19.034 -11.847 8.746 1.00 0.00 H new ATOM 1154 N SER A 71 15.786 -9.568 8.665 1.00 0.00 N ATOM 1155 CA SER A 71 15.211 -8.621 9.623 1.00 0.00 C ATOM 1156 C SER A 71 13.877 -8.065 9.118 1.00 0.00 C ATOM 1157 O SER A 71 12.896 -8.021 9.861 1.00 0.00 O ATOM 1158 CB SER A 71 16.187 -7.467 9.902 1.00 0.00 C ATOM 1159 OG SER A 71 17.296 -7.490 9.012 1.00 0.00 O ATOM 0 H SER A 71 16.576 -9.200 8.135 1.00 0.00 H new ATOM 0 HA SER A 71 15.030 -9.162 10.552 1.00 0.00 H new ATOM 0 HB2 SER A 71 15.663 -6.516 9.806 1.00 0.00 H new ATOM 0 HB3 SER A 71 16.544 -7.532 10.930 1.00 0.00 H new ATOM 0 HG SER A 71 17.879 -8.246 9.235 1.00 0.00 H new ATOM 1165 N MET A 72 13.850 -7.641 7.853 1.00 0.00 N ATOM 1166 CA MET A 72 12.639 -7.088 7.252 1.00 0.00 C ATOM 1167 C MET A 72 11.671 -8.198 6.843 1.00 0.00 C ATOM 1168 O MET A 72 11.746 -8.718 5.731 1.00 0.00 O ATOM 1169 CB MET A 72 12.998 -6.229 6.034 1.00 0.00 C ATOM 1170 CG MET A 72 13.135 -4.748 6.349 1.00 0.00 C ATOM 1171 SD MET A 72 14.851 -4.243 6.580 1.00 0.00 S ATOM 1172 CE MET A 72 15.475 -4.378 4.904 1.00 0.00 C ATOM 0 H MET A 72 14.654 -7.671 7.226 1.00 0.00 H new ATOM 0 HA MET A 72 12.146 -6.464 7.998 1.00 0.00 H new ATOM 0 HB2 MET A 72 13.935 -6.589 5.610 1.00 0.00 H new ATOM 0 HB3 MET A 72 12.232 -6.359 5.270 1.00 0.00 H new ATOM 0 HG2 MET A 72 12.695 -4.166 5.539 1.00 0.00 H new ATOM 0 HG3 MET A 72 12.568 -4.518 7.251 1.00 0.00 H new ATOM 0 HE1 MET A 72 16.426 -4.910 4.912 1.00 0.00 H new ATOM 0 HE2 MET A 72 14.758 -4.925 4.292 1.00 0.00 H new ATOM 0 HE3 MET A 72 15.620 -3.381 4.488 1.00 0.00 H new ATOM 1182 N LYS A 73 10.758 -8.554 7.752 1.00 0.00 N ATOM 1183 CA LYS A 73 9.771 -9.603 7.481 1.00 0.00 C ATOM 1184 C LYS A 73 8.441 -9.005 7.023 1.00 0.00 C ATOM 1185 O LYS A 73 7.849 -9.473 6.050 1.00 0.00 O ATOM 1186 CB LYS A 73 9.556 -10.471 8.724 1.00 0.00 C ATOM 1187 CG LYS A 73 10.760 -11.327 9.083 1.00 0.00 C ATOM 1188 CD LYS A 73 11.212 -11.091 10.516 1.00 0.00 C ATOM 1189 CE LYS A 73 10.611 -12.115 11.469 1.00 0.00 C ATOM 1190 NZ LYS A 73 11.579 -12.535 12.524 1.00 0.00 N ATOM 0 H LYS A 73 10.682 -8.133 8.678 1.00 0.00 H new ATOM 0 HA LYS A 73 10.160 -10.227 6.676 1.00 0.00 H new ATOM 0 HB2 LYS A 73 9.313 -9.827 9.569 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.695 -11.119 8.560 1.00 0.00 H new ATOM 0 HG2 LYS A 73 10.511 -12.380 8.949 1.00 0.00 H new ATOM 0 HG3 LYS A 73 11.581 -11.104 8.401 1.00 0.00 H new ATOM 0 HD2 LYS A 73 12.300 -11.139 10.568 1.00 0.00 H new ATOM 0 HD3 LYS A 73 10.922 -10.088 10.829 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.722 -11.694 11.940 1.00 0.00 H new ATOM 0 HE3 LYS A 73 10.289 -12.990 10.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 11.129 -13.232 13.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 12.416 -12.961 12.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 11.868 -11.705 13.080 1.00 0.00 H new ATOM 1204 N SER A 74 7.980 -7.970 7.726 1.00 0.00 N ATOM 1205 CA SER A 74 6.722 -7.304 7.384 1.00 0.00 C ATOM 1206 C SER A 74 6.964 -6.144 6.420 1.00 0.00 C ATOM 1207 O SER A 74 8.034 -5.533 6.428 1.00 0.00 O ATOM 1208 CB SER A 74 6.024 -6.793 8.650 1.00 0.00 C ATOM 1209 OG SER A 74 6.960 -6.277 9.587 1.00 0.00 O ATOM 0 H SER A 74 8.458 -7.575 8.535 1.00 0.00 H new ATOM 0 HA SER A 74 6.078 -8.034 6.894 1.00 0.00 H new ATOM 0 HB2 SER A 74 5.308 -6.016 8.384 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.458 -7.604 9.108 1.00 0.00 H new ATOM 0 HG SER A 74 6.485 -5.958 10.382 1.00 0.00 H new ATOM 1215 N LEU A 75 5.963 -5.842 5.587 1.00 0.00 N ATOM 1216 CA LEU A 75 6.074 -4.753 4.617 1.00 0.00 C ATOM 1217 C LEU A 75 5.544 -3.444 5.200 1.00 0.00 C ATOM 1218 O LEU A 75 4.396 -3.371 5.645 1.00 0.00 O ATOM 1219 CB LEU A 75 5.317 -5.095 3.328 1.00 0.00 C ATOM 1220 CG LEU A 75 6.196 -5.253 2.083 1.00 0.00 C ATOM 1221 CD1 LEU A 75 5.603 -6.287 1.134 1.00 0.00 C ATOM 1222 CD2 LEU A 75 6.368 -3.914 1.376 1.00 0.00 C ATOM 0 H LEU A 75 5.071 -6.336 5.566 1.00 0.00 H new ATOM 0 HA LEU A 75 7.131 -4.625 4.382 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.764 -6.021 3.484 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.582 -4.313 3.138 1.00 0.00 H new ATOM 0 HG LEU A 75 7.178 -5.603 2.400 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.242 -6.384 0.256 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.534 -7.249 1.641 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.608 -5.968 0.824 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.995 -4.046 0.494 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.392 -3.534 1.074 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.840 -3.203 2.054 1.00 0.00 H new ATOM 1234 N ARG A 76 6.390 -2.412 5.191 1.00 0.00 N ATOM 1235 CA ARG A 76 6.015 -1.101 5.717 1.00 0.00 C ATOM 1236 C ARG A 76 5.481 -0.200 4.604 1.00 0.00 C ATOM 1237 O ARG A 76 6.237 0.542 3.972 1.00 0.00 O ATOM 1238 CB ARG A 76 7.213 -0.436 6.406 1.00 0.00 C ATOM 1239 CG ARG A 76 6.867 0.213 7.738 1.00 0.00 C ATOM 1240 CD ARG A 76 8.070 0.923 8.342 1.00 0.00 C ATOM 1241 NE ARG A 76 7.717 2.237 8.881 1.00 0.00 N ATOM 1242 CZ ARG A 76 7.075 2.425 10.040 1.00 0.00 C ATOM 1243 NH1 ARG A 76 6.710 1.384 10.789 1.00 0.00 N ATOM 1244 NH2 ARG A 76 6.798 3.659 10.451 1.00 0.00 N ATOM 0 H ARG A 76 7.341 -2.461 4.824 1.00 0.00 H new ATOM 0 HA ARG A 76 5.223 -1.246 6.452 1.00 0.00 H new ATOM 0 HB2 ARG A 76 7.990 -1.183 6.567 1.00 0.00 H new ATOM 0 HB3 ARG A 76 7.630 0.320 5.741 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.055 0.927 7.596 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.506 -0.547 8.431 1.00 0.00 H new ATOM 0 HD2 ARG A 76 8.494 0.307 9.136 1.00 0.00 H new ATOM 0 HD3 ARG A 76 8.842 1.039 7.582 1.00 0.00 H new ATOM 0 HE ARG A 76 7.977 3.061 8.339 1.00 0.00 H new ATOM 0 HH11 ARG A 76 6.920 0.435 10.480 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.221 1.537 11.671 1.00 0.00 H new ATOM 0 HH21 ARG A 76 7.075 4.460 9.883 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.309 3.805 11.334 1.00 0.00 H new ATOM 1258 N ILE A 77 4.171 -0.272 4.370 1.00 0.00 N ATOM 1259 CA ILE A 77 3.529 0.535 3.338 1.00 0.00 C ATOM 1260 C ILE A 77 2.609 1.580 3.968 1.00 0.00 C ATOM 1261 O ILE A 77 1.640 1.238 4.647 1.00 0.00 O ATOM 1262 CB ILE A 77 2.716 -0.338 2.355 1.00 0.00 C ATOM 1263 CG1 ILE A 77 3.556 -1.521 1.860 1.00 0.00 C ATOM 1264 CG2 ILE A 77 2.229 0.498 1.178 1.00 0.00 C ATOM 1265 CD1 ILE A 77 2.810 -2.452 0.927 1.00 0.00 C ATOM 0 H ILE A 77 3.535 -0.882 4.883 1.00 0.00 H new ATOM 0 HA ILE A 77 4.321 1.035 2.781 1.00 0.00 H new ATOM 0 HB ILE A 77 1.848 -0.731 2.884 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.439 -1.139 1.347 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.908 -2.090 2.721 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.658 -0.132 0.496 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.594 1.305 1.543 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.086 0.920 0.652 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.469 -3.264 0.619 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.942 -2.865 1.442 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.481 -1.899 0.047 1.00 0.00 H new ATOM 1277 N LEU A 78 2.924 2.855 3.742 1.00 0.00 N ATOM 1278 CA LEU A 78 2.133 3.955 4.288 1.00 0.00 C ATOM 1279 C LEU A 78 1.224 4.555 3.217 1.00 0.00 C ATOM 1280 O LEU A 78 1.694 4.991 2.165 1.00 0.00 O ATOM 1281 CB LEU A 78 3.058 5.036 4.854 1.00 0.00 C ATOM 1282 CG LEU A 78 2.347 6.204 5.544 1.00 0.00 C ATOM 1283 CD1 LEU A 78 2.215 5.949 7.038 1.00 0.00 C ATOM 1284 CD2 LEU A 78 3.090 7.508 5.283 1.00 0.00 C ATOM 0 H LEU A 78 3.724 3.151 3.183 1.00 0.00 H new ATOM 0 HA LEU A 78 1.507 3.562 5.089 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.739 4.572 5.568 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.669 5.431 4.042 1.00 0.00 H new ATOM 0 HG LEU A 78 1.344 6.290 5.126 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.707 6.791 7.507 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.637 5.040 7.202 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.206 5.833 7.476 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.572 8.328 5.780 1.00 0.00 H new ATOM 0 HD22 LEU A 78 4.106 7.432 5.671 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.125 7.698 4.210 1.00 0.00 H new ATOM 1296 N LEU A 79 -0.079 4.581 3.496 1.00 0.00 N ATOM 1297 CA LEU A 79 -1.054 5.136 2.560 1.00 0.00 C ATOM 1298 C LEU A 79 -1.668 6.420 3.115 1.00 0.00 C ATOM 1299 O LEU A 79 -2.100 6.466 4.268 1.00 0.00 O ATOM 1300 CB LEU A 79 -2.150 4.111 2.237 1.00 0.00 C ATOM 1301 CG LEU A 79 -2.893 3.525 3.444 1.00 0.00 C ATOM 1302 CD1 LEU A 79 -4.223 4.236 3.650 1.00 0.00 C ATOM 1303 CD2 LEU A 79 -3.110 2.031 3.256 1.00 0.00 C ATOM 0 H LEU A 79 -0.483 4.224 4.362 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.531 5.377 1.635 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.880 4.583 1.579 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.700 3.291 1.678 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.282 3.677 4.334 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.736 3.807 4.511 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.045 5.297 3.826 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.842 4.114 2.761 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.638 1.628 4.120 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.702 1.860 2.357 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.146 1.533 3.156 1.00 0.00 H new ATOM 1315 N LEU A 80 -1.691 7.465 2.288 1.00 0.00 N ATOM 1316 CA LEU A 80 -2.238 8.759 2.691 1.00 0.00 C ATOM 1317 C LEU A 80 -3.203 9.295 1.640 1.00 0.00 C ATOM 1318 O LEU A 80 -2.974 9.142 0.438 1.00 0.00 O ATOM 1319 CB LEU A 80 -1.113 9.778 2.914 1.00 0.00 C ATOM 1320 CG LEU A 80 0.158 9.231 3.576 1.00 0.00 C ATOM 1321 CD1 LEU A 80 1.059 8.566 2.542 1.00 0.00 C ATOM 1322 CD2 LEU A 80 0.902 10.348 4.295 1.00 0.00 C ATOM 0 H LEU A 80 -1.336 7.440 1.332 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.779 8.610 3.626 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.842 10.209 1.950 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.500 10.590 3.529 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.131 8.479 4.310 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.955 8.185 3.032 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.525 7.741 2.070 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.343 9.296 1.784 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.802 9.945 4.760 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.179 11.121 3.578 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.259 10.779 5.062 1.00 0.00 H new ATOM 1334 N SER A 81 -4.274 9.939 2.099 1.00 0.00 N ATOM 1335 CA SER A 81 -5.266 10.513 1.195 1.00 0.00 C ATOM 1336 C SER A 81 -4.863 11.921 0.770 1.00 0.00 C ATOM 1337 O SER A 81 -4.304 12.683 1.561 1.00 0.00 O ATOM 1338 CB SER A 81 -6.647 10.546 1.854 1.00 0.00 C ATOM 1339 OG SER A 81 -7.568 9.735 1.141 1.00 0.00 O ATOM 0 H SER A 81 -4.476 10.076 3.089 1.00 0.00 H new ATOM 0 HA SER A 81 -5.314 9.879 0.309 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.571 10.198 2.884 1.00 0.00 H new ATOM 0 HB3 SER A 81 -7.012 11.572 1.891 1.00 0.00 H new ATOM 0 HG SER A 81 -8.443 9.770 1.581 1.00 0.00 H new ATOM 1345 N GLN A 82 -5.159 12.259 -0.484 1.00 0.00 N ATOM 1346 CA GLN A 82 -4.838 13.581 -1.023 1.00 0.00 C ATOM 1347 C GLN A 82 -5.972 14.586 -0.798 1.00 0.00 C ATOM 1348 O GLN A 82 -5.903 15.727 -1.265 1.00 0.00 O ATOM 1349 CB GLN A 82 -4.505 13.480 -2.516 1.00 0.00 C ATOM 1350 CG GLN A 82 -5.690 13.077 -3.387 1.00 0.00 C ATOM 1351 CD GLN A 82 -5.360 11.939 -4.336 1.00 0.00 C ATOM 1352 OE1 GLN A 82 -5.219 12.143 -5.541 1.00 0.00 O ATOM 1353 NE2 GLN A 82 -5.237 10.730 -3.796 1.00 0.00 N ATOM 0 H GLN A 82 -5.621 11.636 -1.147 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.965 13.949 -0.484 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -4.125 14.442 -2.859 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -3.704 12.754 -2.651 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.522 12.782 -2.747 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.022 13.940 -3.963 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -5.362 10.605 -2.791 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -5.018 9.928 -4.386 1.00 0.00 H new