USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 724 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 46 ASN : amide:sc= -0.425 K(o=-0.43,f=-5.2!) USER MOD Set 1.2: A 48 GLN : amide:sc= 0 K(o=-0.43,f=-1.2) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.676 K(o=-0.68,f=-2.3!) USER MOD Single : A 11 ASN : amide:sc= -0.0191 X(o=-0.019,f=0) USER MOD Single : A 15 GLN : amide:sc= -0.721 K(o=-0.72,f=-0.074) USER MOD Single : A 20 LYS NZ :NH3+ 138:sc= -0.59 (180deg=-1.16!) USER MOD Single : A 22 THR OG1 : rot 150:sc= -0.606 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 10:sc= 0.912 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 162:sc= -0.0126 (180deg=-0.143) USER MOD Single : A 44 ASN : amide:sc= -0.133 K(o=-0.13,f=-2.3!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 35:sc= 1.15 USER MOD Single : A 57 GLN : amide:sc= -0.0443 K(o=-0.044,f=-0.69) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 87:sc= -0.312 USER MOD Single : A 69 LYS NZ :NH3+ -106:sc= 0.84 (180deg=-1.44) USER MOD Single : A 71 TYR OH : rot 120:sc= -3.14! USER MOD Single : A 72 ASN : amide:sc= -1.02 X(o=-1,f=-0.82) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl 152:sc= -0.127 (180deg=-0.823) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.212 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -122:sc= -0.624 (180deg=-2.75!) USER MOD Single : A 89 ASN : amide:sc= -1.03 K(o=-1,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 2 -11.927 -12.457 -6.336 1.00 0.00 N ATOM 19 CA ASP A 2 -12.904 -12.553 -5.264 1.00 0.00 C ATOM 20 C ASP A 2 -12.272 -12.069 -3.958 1.00 0.00 C ATOM 21 O ASP A 2 -11.168 -12.482 -3.609 1.00 0.00 O ATOM 22 CB ASP A 2 -13.358 -14.000 -5.063 1.00 0.00 C ATOM 23 CG ASP A 2 -13.872 -14.327 -3.658 1.00 0.00 C ATOM 24 OD1 ASP A 2 -13.100 -14.361 -2.688 1.00 0.00 O ATOM 25 OD2 ASP A 2 -15.139 -14.555 -3.581 1.00 0.00 O ATOM 0 HA ASP A 2 -13.763 -11.939 -5.534 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -14.146 -14.221 -5.783 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -12.523 -14.662 -5.291 1.00 0.00 H new ATOM 31 N ILE A 3 -13.000 -11.200 -3.272 1.00 0.00 N ATOM 32 CA ILE A 3 -12.525 -10.655 -2.012 1.00 0.00 C ATOM 33 C ILE A 3 -13.641 -10.746 -0.969 1.00 0.00 C ATOM 34 O ILE A 3 -14.819 -10.626 -1.302 1.00 0.00 O ATOM 35 CB ILE A 3 -11.983 -9.239 -2.212 1.00 0.00 C ATOM 36 CG1 ILE A 3 -10.522 -9.269 -2.666 1.00 0.00 C ATOM 37 CG2 ILE A 3 -12.172 -8.396 -0.948 1.00 0.00 C ATOM 38 CD1 ILE A 3 -10.042 -7.872 -3.064 1.00 0.00 C ATOM 0 H ILE A 3 -13.916 -10.860 -3.565 1.00 0.00 H new ATOM 0 HA ILE A 3 -11.687 -11.241 -1.634 1.00 0.00 H new ATOM 0 HB ILE A 3 -12.558 -8.763 -3.007 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -9.896 -9.657 -1.863 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -10.414 -9.949 -3.511 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -11.778 -7.394 -1.117 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -13.233 -8.333 -0.708 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -11.639 -8.860 -0.118 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -9.001 -7.922 -3.382 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -10.655 -7.497 -3.884 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -10.128 -7.201 -2.210 1.00 0.00 H new ATOM 50 N SER A 4 -13.230 -10.957 0.273 1.00 0.00 N ATOM 51 CA SER A 4 -14.180 -11.065 1.367 1.00 0.00 C ATOM 52 C SER A 4 -13.751 -10.160 2.524 1.00 0.00 C ATOM 53 O SER A 4 -12.615 -10.238 2.989 1.00 0.00 O ATOM 54 CB SER A 4 -14.309 -12.512 1.844 1.00 0.00 C ATOM 55 OG SER A 4 -15.669 -12.911 1.980 1.00 0.00 O ATOM 0 H SER A 4 -12.252 -11.056 0.546 1.00 0.00 H new ATOM 0 HA SER A 4 -15.156 -10.743 1.005 1.00 0.00 H new ATOM 0 HB2 SER A 4 -13.807 -13.173 1.137 1.00 0.00 H new ATOM 0 HB3 SER A 4 -13.801 -12.624 2.802 1.00 0.00 H new ATOM 0 HG SER A 4 -15.708 -13.842 2.285 1.00 0.00 H new ATOM 61 N ILE A 5 -14.684 -9.323 2.955 1.00 0.00 N ATOM 62 CA ILE A 5 -14.416 -8.405 4.049 1.00 0.00 C ATOM 63 C ILE A 5 -14.583 -9.141 5.380 1.00 0.00 C ATOM 64 O ILE A 5 -15.557 -9.865 5.575 1.00 0.00 O ATOM 65 CB ILE A 5 -15.289 -7.154 3.925 1.00 0.00 C ATOM 66 CG1 ILE A 5 -15.182 -6.549 2.525 1.00 0.00 C ATOM 67 CG2 ILE A 5 -14.950 -6.138 5.017 1.00 0.00 C ATOM 68 CD1 ILE A 5 -13.769 -6.026 2.259 1.00 0.00 C ATOM 0 H ILE A 5 -15.625 -9.262 2.567 1.00 0.00 H new ATOM 0 HA ILE A 5 -13.385 -8.053 4.006 1.00 0.00 H new ATOM 0 HB ILE A 5 -16.329 -7.447 4.071 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -15.441 -7.301 1.780 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -15.900 -5.736 2.421 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -15.585 -5.259 4.906 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -15.119 -6.586 5.996 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -13.904 -5.844 4.928 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -13.721 -5.601 1.256 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -13.522 -5.257 2.991 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -13.056 -6.847 2.340 1.00 0.00 H new ATOM 80 N ILE A 6 -13.615 -8.931 6.261 1.00 0.00 N ATOM 81 CA ILE A 6 -13.642 -9.566 7.567 1.00 0.00 C ATOM 82 C ILE A 6 -14.291 -8.617 8.577 1.00 0.00 C ATOM 83 O ILE A 6 -15.328 -8.936 9.157 1.00 0.00 O ATOM 84 CB ILE A 6 -12.239 -10.026 7.969 1.00 0.00 C ATOM 85 CG1 ILE A 6 -11.586 -10.837 6.847 1.00 0.00 C ATOM 86 CG2 ILE A 6 -12.272 -10.798 9.290 1.00 0.00 C ATOM 87 CD1 ILE A 6 -12.054 -12.293 6.880 1.00 0.00 C ATOM 0 H ILE A 6 -12.808 -8.330 6.095 1.00 0.00 H new ATOM 0 HA ILE A 6 -14.252 -10.469 7.539 1.00 0.00 H new ATOM 0 HB ILE A 6 -11.622 -9.142 8.129 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -11.832 -10.394 5.882 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -10.501 -10.797 6.948 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -11.262 -11.113 9.552 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -12.668 -10.156 10.077 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -12.910 -11.675 9.183 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -11.575 -12.847 6.073 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -11.785 -12.740 7.837 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -13.136 -12.330 6.754 1.00 0.00 H new ATOM 99 N SER A 7 -13.652 -7.470 8.758 1.00 0.00 N ATOM 100 CA SER A 7 -14.153 -6.472 9.688 1.00 0.00 C ATOM 101 C SER A 7 -14.080 -5.082 9.053 1.00 0.00 C ATOM 102 O SER A 7 -13.313 -4.863 8.118 1.00 0.00 O ATOM 103 CB SER A 7 -13.368 -6.500 11.001 1.00 0.00 C ATOM 104 OG SER A 7 -13.010 -7.826 11.381 1.00 0.00 O ATOM 0 H SER A 7 -12.791 -7.210 8.276 1.00 0.00 H new ATOM 0 HA SER A 7 -15.193 -6.706 9.914 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.466 -5.897 10.897 1.00 0.00 H new ATOM 0 HB3 SER A 7 -13.966 -6.046 11.791 1.00 0.00 H new ATOM 0 HG SER A 7 -12.509 -7.801 12.223 1.00 0.00 H new ATOM 110 N ASP A 8 -14.889 -4.179 9.590 1.00 0.00 N ATOM 111 CA ASP A 8 -14.924 -2.816 9.088 1.00 0.00 C ATOM 112 C ASP A 8 -14.897 -1.842 10.267 1.00 0.00 C ATOM 113 O ASP A 8 -15.928 -1.584 10.888 1.00 0.00 O ATOM 114 CB ASP A 8 -16.204 -2.557 8.290 1.00 0.00 C ATOM 115 CG ASP A 8 -17.505 -2.828 9.047 1.00 0.00 C ATOM 116 OD1 ASP A 8 -17.956 -3.979 9.148 1.00 0.00 O ATOM 117 OD2 ASP A 8 -18.069 -1.785 9.554 1.00 0.00 O ATOM 0 H ASP A 8 -15.524 -4.365 10.366 1.00 0.00 H new ATOM 0 HA ASP A 8 -14.059 -2.672 8.440 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -16.204 -1.518 7.959 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -16.187 -3.177 7.394 1.00 0.00 H new ATOM 123 N ARG A 9 -13.708 -1.328 10.542 1.00 0.00 N ATOM 124 CA ARG A 9 -13.533 -0.388 11.636 1.00 0.00 C ATOM 125 C ARG A 9 -13.270 1.018 11.091 1.00 0.00 C ATOM 126 O ARG A 9 -12.850 1.176 9.946 1.00 0.00 O ATOM 127 CB ARG A 9 -12.369 -0.804 12.538 1.00 0.00 C ATOM 128 CG ARG A 9 -12.879 -1.478 13.814 1.00 0.00 C ATOM 129 CD ARG A 9 -12.541 -0.640 15.049 1.00 0.00 C ATOM 130 NE ARG A 9 -12.284 -1.527 16.206 1.00 0.00 N ATOM 131 CZ ARG A 9 -11.959 -1.086 17.440 1.00 0.00 C ATOM 132 NH1 ARG A 9 -11.848 0.237 17.688 1.00 0.00 N ATOM 133 NH2 ARG A 9 -11.751 -1.967 18.400 1.00 0.00 N ATOM 0 H ARG A 9 -12.855 -1.545 10.026 1.00 0.00 H new ATOM 0 HA ARG A 9 -14.451 -0.388 12.223 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -11.712 -1.487 11.999 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -11.774 0.072 12.798 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -13.958 -1.618 13.749 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -12.434 -2.469 13.909 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -11.665 -0.023 14.851 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -13.364 0.038 15.275 1.00 0.00 H new ATOM 0 HE ARG A 9 -12.357 -2.534 16.062 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -12.010 0.911 16.940 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -11.602 0.562 18.623 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.837 -2.964 18.204 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.505 -1.651 19.338 1.00 0.00 H new ATOM 146 N ASN A 10 -13.529 2.004 11.938 1.00 0.00 N ATOM 147 CA ASN A 10 -13.326 3.391 11.556 1.00 0.00 C ATOM 148 C ASN A 10 -12.515 4.100 12.641 1.00 0.00 C ATOM 149 O ASN A 10 -12.783 3.935 13.831 1.00 0.00 O ATOM 150 CB ASN A 10 -14.662 4.122 11.410 1.00 0.00 C ATOM 151 CG ASN A 10 -14.462 5.639 11.438 1.00 0.00 C ATOM 152 OD1 ASN A 10 -13.507 6.175 10.899 1.00 0.00 O ATOM 153 ND2 ASN A 10 -15.412 6.299 12.095 1.00 0.00 N ATOM 0 H ASN A 10 -13.878 1.870 12.887 1.00 0.00 H new ATOM 0 HA ASN A 10 -12.801 3.405 10.601 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -15.139 3.832 10.474 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -15.333 3.825 12.216 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -15.368 7.315 12.170 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -16.184 5.789 12.523 1.00 0.00 H new ATOM 160 N ASN A 11 -11.537 4.875 12.193 1.00 0.00 N ATOM 161 CA ASN A 11 -10.684 5.611 13.112 1.00 0.00 C ATOM 162 C ASN A 11 -10.614 7.074 12.674 1.00 0.00 C ATOM 163 O ASN A 11 -9.761 7.446 11.870 1.00 0.00 O ATOM 164 CB ASN A 11 -9.262 5.049 13.112 1.00 0.00 C ATOM 165 CG ASN A 11 -9.233 3.628 13.682 1.00 0.00 C ATOM 166 OD1 ASN A 11 -9.040 3.412 14.868 1.00 0.00 O ATOM 167 ND2 ASN A 11 -9.435 2.678 12.776 1.00 0.00 N ATOM 0 H ASN A 11 -11.316 5.009 11.206 1.00 0.00 H new ATOM 0 HA ASN A 11 -11.108 5.520 14.112 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -8.869 5.045 12.095 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -8.612 5.695 13.702 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -9.435 1.697 13.057 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -9.590 2.929 11.800 1.00 0.00 H new ATOM 174 N PRO A 12 -11.547 7.888 13.237 1.00 0.00 N ATOM 175 CA PRO A 12 -11.600 9.303 12.913 1.00 0.00 C ATOM 176 C PRO A 12 -10.468 10.067 13.604 1.00 0.00 C ATOM 177 O PRO A 12 -9.908 11.003 13.037 1.00 0.00 O ATOM 178 CB PRO A 12 -12.980 9.759 13.357 1.00 0.00 C ATOM 179 CG PRO A 12 -13.475 8.701 14.330 1.00 0.00 C ATOM 180 CD PRO A 12 -12.574 7.483 14.192 1.00 0.00 C ATOM 0 HA PRO A 12 -11.455 9.495 11.850 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -12.933 10.738 13.835 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -13.654 9.852 12.505 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -13.450 9.080 15.352 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -14.510 8.437 14.113 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -12.136 7.204 15.150 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -13.130 6.618 13.832 1.00 0.00 H new ATOM 188 N LEU A 13 -10.165 9.637 14.821 1.00 0.00 N ATOM 189 CA LEU A 13 -9.110 10.268 15.596 1.00 0.00 C ATOM 190 C LEU A 13 -7.925 10.577 14.678 1.00 0.00 C ATOM 191 O LEU A 13 -7.764 11.710 14.228 1.00 0.00 O ATOM 192 CB LEU A 13 -8.744 9.404 16.804 1.00 0.00 C ATOM 193 CG LEU A 13 -9.837 9.229 17.860 1.00 0.00 C ATOM 194 CD1 LEU A 13 -10.528 7.872 17.715 1.00 0.00 C ATOM 195 CD2 LEU A 13 -9.277 9.439 19.268 1.00 0.00 C ATOM 0 H LEU A 13 -10.632 8.860 15.289 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.453 11.218 16.005 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.452 8.417 16.445 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.868 9.840 17.285 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.595 9.995 17.697 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -11.300 7.774 18.478 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.982 7.799 16.727 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.794 7.075 17.837 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.074 9.309 20.000 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.488 8.711 19.458 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.869 10.446 19.351 1.00 0.00 H new ATOM 207 N LEU A 14 -7.126 9.550 14.429 1.00 0.00 N ATOM 208 CA LEU A 14 -5.961 9.698 13.574 1.00 0.00 C ATOM 209 C LEU A 14 -6.417 9.905 12.129 1.00 0.00 C ATOM 210 O LEU A 14 -5.608 10.220 11.258 1.00 0.00 O ATOM 211 CB LEU A 14 -5.009 8.513 13.756 1.00 0.00 C ATOM 212 CG LEU A 14 -4.546 8.239 15.188 1.00 0.00 C ATOM 213 CD1 LEU A 14 -4.150 6.771 15.363 1.00 0.00 C ATOM 214 CD2 LEU A 14 -3.417 9.188 15.591 1.00 0.00 C ATOM 0 H LEU A 14 -7.263 8.612 14.805 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.390 10.582 13.857 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.499 7.617 13.376 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.128 8.681 13.136 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.382 8.431 15.860 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.825 6.602 16.389 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.007 6.134 15.145 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.336 6.530 14.680 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.107 8.971 16.613 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.570 9.052 14.918 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.768 10.218 15.529 1.00 0.00 H new ATOM 226 N GLN A 15 -7.712 9.720 11.919 1.00 0.00 N ATOM 227 CA GLN A 15 -8.286 9.882 10.594 1.00 0.00 C ATOM 228 C GLN A 15 -7.826 8.750 9.674 1.00 0.00 C ATOM 229 O GLN A 15 -7.401 8.995 8.545 1.00 0.00 O ATOM 230 CB GLN A 15 -7.927 11.247 10.004 1.00 0.00 C ATOM 231 CG GLN A 15 -9.130 12.193 10.039 1.00 0.00 C ATOM 232 CD GLN A 15 -8.734 13.562 10.594 1.00 0.00 C ATOM 233 OE1 GLN A 15 -9.473 14.202 11.324 1.00 0.00 O ATOM 234 NE2 GLN A 15 -7.530 13.975 10.210 1.00 0.00 N ATOM 0 H GLN A 15 -8.380 9.459 12.644 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.371 9.835 10.682 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.100 11.683 10.564 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.586 11.125 8.976 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.537 12.308 9.034 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -9.919 11.761 10.655 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -6.962 13.390 9.597 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -7.175 14.877 10.528 1.00 0.00 H new ATOM 243 N ARG A 16 -7.924 7.534 10.190 1.00 0.00 N ATOM 244 CA ARG A 16 -7.524 6.363 9.428 1.00 0.00 C ATOM 245 C ARG A 16 -8.667 5.347 9.375 1.00 0.00 C ATOM 246 O ARG A 16 -9.661 5.489 10.084 1.00 0.00 O ATOM 247 CB ARG A 16 -6.290 5.699 10.046 1.00 0.00 C ATOM 248 CG ARG A 16 -5.167 6.718 10.253 1.00 0.00 C ATOM 249 CD ARG A 16 -3.815 6.133 9.837 1.00 0.00 C ATOM 250 NE ARG A 16 -2.896 6.109 10.998 1.00 0.00 N ATOM 251 CZ ARG A 16 -3.013 5.258 12.039 1.00 0.00 C ATOM 252 NH1 ARG A 16 -4.014 4.352 12.074 1.00 0.00 N ATOM 253 NH2 ARG A 16 -2.135 5.326 13.022 1.00 0.00 N ATOM 0 H ARG A 16 -8.275 7.334 11.127 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.279 6.693 8.418 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.556 5.246 11.001 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -5.942 4.895 9.398 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -5.374 7.616 9.671 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.131 7.018 11.300 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.950 5.124 9.448 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.383 6.729 9.033 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.126 6.778 11.012 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.688 4.307 11.310 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.096 3.712 12.864 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.383 6.014 12.987 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.209 4.690 13.816 1.00 0.00 H new ATOM 266 N ARG A 17 -8.486 4.345 8.527 1.00 0.00 N ATOM 267 CA ARG A 17 -9.490 3.306 8.372 1.00 0.00 C ATOM 268 C ARG A 17 -8.874 1.930 8.629 1.00 0.00 C ATOM 269 O ARG A 17 -7.730 1.678 8.255 1.00 0.00 O ATOM 270 CB ARG A 17 -10.097 3.331 6.967 1.00 0.00 C ATOM 271 CG ARG A 17 -11.538 2.819 6.983 1.00 0.00 C ATOM 272 CD ARG A 17 -12.486 3.866 7.571 1.00 0.00 C ATOM 273 NE ARG A 17 -13.703 3.973 6.735 1.00 0.00 N ATOM 274 CZ ARG A 17 -13.777 4.691 5.594 1.00 0.00 C ATOM 275 NH1 ARG A 17 -12.702 5.374 5.143 1.00 0.00 N ATOM 276 NH2 ARG A 17 -14.915 4.717 4.927 1.00 0.00 N ATOM 0 H ARG A 17 -7.659 4.231 7.940 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.279 3.497 9.100 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.073 4.348 6.575 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -9.496 2.716 6.297 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -11.850 2.569 5.969 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -11.595 1.902 7.569 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -12.758 3.591 8.590 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -11.985 4.833 7.625 1.00 0.00 H new ATOM 0 HE ARG A 17 -14.538 3.473 7.040 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -11.826 5.350 5.665 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -12.766 5.914 4.280 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -15.722 4.200 5.275 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -14.988 5.255 4.063 1.00 0.00 H new ATOM 289 N GLU A 18 -9.660 1.074 9.266 1.00 0.00 N ATOM 290 CA GLU A 18 -9.207 -0.270 9.578 1.00 0.00 C ATOM 291 C GLU A 18 -10.243 -1.300 9.123 1.00 0.00 C ATOM 292 O GLU A 18 -11.155 -1.641 9.873 1.00 0.00 O ATOM 293 CB GLU A 18 -8.909 -0.416 11.072 1.00 0.00 C ATOM 294 CG GLU A 18 -7.515 0.118 11.407 1.00 0.00 C ATOM 295 CD GLU A 18 -6.992 -0.493 12.709 1.00 0.00 C ATOM 296 OE1 GLU A 18 -6.395 -1.580 12.687 1.00 0.00 O ATOM 297 OE2 GLU A 18 -7.225 0.202 13.771 1.00 0.00 O ATOM 0 H GLU A 18 -10.609 1.286 9.575 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.279 -0.453 9.036 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.658 0.124 11.651 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.980 -1.465 11.360 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.828 -0.111 10.592 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.550 1.204 11.499 1.00 0.00 H new ATOM 305 N ILE A 19 -10.068 -1.765 7.894 1.00 0.00 N ATOM 306 CA ILE A 19 -10.977 -2.748 7.331 1.00 0.00 C ATOM 307 C ILE A 19 -10.184 -3.989 6.915 1.00 0.00 C ATOM 308 O ILE A 19 -9.323 -3.916 6.039 1.00 0.00 O ATOM 309 CB ILE A 19 -11.794 -2.132 6.194 1.00 0.00 C ATOM 310 CG1 ILE A 19 -12.612 -0.937 6.692 1.00 0.00 C ATOM 311 CG2 ILE A 19 -12.674 -3.185 5.517 1.00 0.00 C ATOM 312 CD1 ILE A 19 -13.731 -0.591 5.708 1.00 0.00 C ATOM 0 H ILE A 19 -9.311 -1.479 7.273 1.00 0.00 H new ATOM 0 HA ILE A 19 -11.703 -3.068 8.078 1.00 0.00 H new ATOM 0 HB ILE A 19 -11.101 -1.758 5.440 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -13.039 -1.166 7.668 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -11.959 -0.074 6.824 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -13.244 -2.720 4.713 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -12.045 -3.975 5.107 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.360 -3.611 6.249 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -14.297 0.261 6.085 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -13.299 -0.339 4.739 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -14.396 -1.448 5.597 1.00 0.00 H new ATOM 324 N LYS A 20 -10.504 -5.101 7.562 1.00 0.00 N ATOM 325 CA LYS A 20 -9.833 -6.356 7.269 1.00 0.00 C ATOM 326 C LYS A 20 -10.623 -7.116 6.202 1.00 0.00 C ATOM 327 O LYS A 20 -11.851 -7.165 6.252 1.00 0.00 O ATOM 328 CB LYS A 20 -9.609 -7.156 8.555 1.00 0.00 C ATOM 329 CG LYS A 20 -9.037 -8.541 8.246 1.00 0.00 C ATOM 330 CD LYS A 20 -7.538 -8.594 8.541 1.00 0.00 C ATOM 331 CE LYS A 20 -6.737 -7.897 7.438 1.00 0.00 C ATOM 332 NZ LYS A 20 -5.382 -8.484 7.332 1.00 0.00 N ATOM 0 H LYS A 20 -11.219 -5.158 8.288 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.840 -6.170 6.858 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.927 -6.615 9.210 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.552 -7.259 9.092 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.555 -9.293 8.841 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.214 -8.786 7.199 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.335 -8.117 9.500 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.217 -9.632 8.628 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.258 -7.994 6.485 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.662 -6.831 7.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.129 -8.595 6.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.694 -7.856 7.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.369 -9.414 7.797 1.00 0.00 H new ATOM 345 N PHE A 21 -9.886 -7.689 5.262 1.00 0.00 N ATOM 346 CA PHE A 21 -10.502 -8.445 4.185 1.00 0.00 C ATOM 347 C PHE A 21 -9.538 -9.495 3.630 1.00 0.00 C ATOM 348 O PHE A 21 -8.409 -9.617 4.101 1.00 0.00 O ATOM 349 CB PHE A 21 -10.842 -7.446 3.076 1.00 0.00 C ATOM 350 CG PHE A 21 -9.643 -7.038 2.218 1.00 0.00 C ATOM 351 CD1 PHE A 21 -8.872 -5.980 2.586 1.00 0.00 C ATOM 352 CD2 PHE A 21 -9.348 -7.733 1.086 1.00 0.00 C ATOM 353 CE1 PHE A 21 -7.759 -5.601 1.789 1.00 0.00 C ATOM 354 CE2 PHE A 21 -8.236 -7.354 0.290 1.00 0.00 C ATOM 355 CZ PHE A 21 -7.465 -6.296 0.658 1.00 0.00 C ATOM 0 H PHE A 21 -8.868 -7.645 5.224 1.00 0.00 H new ATOM 0 HA PHE A 21 -11.388 -8.963 4.553 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -11.606 -7.880 2.431 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -11.275 -6.552 3.526 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -9.106 -5.428 3.484 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -9.960 -8.573 0.793 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -7.146 -4.761 2.081 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -8.002 -7.906 -0.608 1.00 0.00 H new ATOM 0 HZ PHE A 21 -6.619 -6.008 0.052 1.00 0.00 H new ATOM 365 N THR A 22 -10.020 -10.229 2.637 1.00 0.00 N ATOM 366 CA THR A 22 -9.215 -11.266 2.013 1.00 0.00 C ATOM 367 C THR A 22 -9.405 -11.246 0.496 1.00 0.00 C ATOM 368 O THR A 22 -10.392 -10.710 -0.004 1.00 0.00 O ATOM 369 CB THR A 22 -9.588 -12.603 2.656 1.00 0.00 C ATOM 370 OG1 THR A 22 -8.518 -12.863 3.562 1.00 0.00 O ATOM 371 CG2 THR A 22 -9.526 -13.767 1.664 1.00 0.00 C ATOM 0 H THR A 22 -10.958 -10.126 2.249 1.00 0.00 H new ATOM 0 HA THR A 22 -8.151 -11.096 2.178 1.00 0.00 H new ATOM 0 HB THR A 22 -10.592 -12.536 3.076 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.853 -13.381 4.323 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.800 -14.692 2.171 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.220 -13.584 0.844 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.514 -13.855 1.269 1.00 0.00 H new ATOM 379 N VAL A 23 -8.442 -11.840 -0.196 1.00 0.00 N ATOM 380 CA VAL A 23 -8.491 -11.898 -1.647 1.00 0.00 C ATOM 381 C VAL A 23 -8.198 -13.327 -2.106 1.00 0.00 C ATOM 382 O VAL A 23 -7.227 -13.939 -1.663 1.00 0.00 O ATOM 383 CB VAL A 23 -7.528 -10.869 -2.244 1.00 0.00 C ATOM 384 CG1 VAL A 23 -6.137 -10.993 -1.620 1.00 0.00 C ATOM 385 CG2 VAL A 23 -7.460 -11.002 -3.767 1.00 0.00 C ATOM 0 H VAL A 23 -7.624 -12.285 0.222 1.00 0.00 H new ATOM 0 HA VAL A 23 -9.487 -11.639 -2.006 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.912 -9.876 -2.011 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.472 -10.251 -2.062 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.204 -10.826 -0.545 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.742 -11.991 -1.808 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.769 -10.260 -4.167 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.111 -12.001 -4.030 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.451 -10.840 -4.191 1.00 0.00 H new ATOM 395 N SER A 24 -9.056 -13.819 -2.988 1.00 0.00 N ATOM 396 CA SER A 24 -8.902 -15.166 -3.510 1.00 0.00 C ATOM 397 C SER A 24 -8.603 -15.114 -5.010 1.00 0.00 C ATOM 398 O SER A 24 -9.311 -14.449 -5.765 1.00 0.00 O ATOM 399 CB SER A 24 -10.153 -16.006 -3.248 1.00 0.00 C ATOM 400 OG SER A 24 -10.387 -16.955 -4.285 1.00 0.00 O ATOM 0 H SER A 24 -9.860 -13.309 -3.354 1.00 0.00 H new ATOM 0 HA SER A 24 -8.066 -15.639 -2.994 1.00 0.00 H new ATOM 0 HB2 SER A 24 -10.047 -16.528 -2.297 1.00 0.00 H new ATOM 0 HB3 SER A 24 -11.018 -15.349 -3.156 1.00 0.00 H new ATOM 0 HG SER A 24 -11.194 -17.472 -4.079 1.00 0.00 H new ATOM 406 N PHE A 25 -7.553 -15.824 -5.397 1.00 0.00 N ATOM 407 CA PHE A 25 -7.152 -15.866 -6.793 1.00 0.00 C ATOM 408 C PHE A 25 -6.086 -16.938 -7.024 1.00 0.00 C ATOM 409 O PHE A 25 -5.274 -17.213 -6.142 1.00 0.00 O ATOM 410 CB PHE A 25 -6.561 -14.496 -7.130 1.00 0.00 C ATOM 411 CG PHE A 25 -5.088 -14.342 -6.747 1.00 0.00 C ATOM 412 CD1 PHE A 25 -4.132 -15.025 -7.430 1.00 0.00 C ATOM 413 CD2 PHE A 25 -4.735 -13.520 -5.721 1.00 0.00 C ATOM 414 CE1 PHE A 25 -2.765 -14.882 -7.074 1.00 0.00 C ATOM 415 CE2 PHE A 25 -3.368 -13.377 -5.365 1.00 0.00 C ATOM 416 CZ PHE A 25 -2.412 -14.061 -6.049 1.00 0.00 C ATOM 0 H PHE A 25 -6.968 -16.374 -4.768 1.00 0.00 H new ATOM 0 HA PHE A 25 -8.011 -16.104 -7.420 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -6.668 -14.319 -8.200 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -7.141 -13.726 -6.620 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.412 -15.677 -8.244 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.494 -12.977 -5.178 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.006 -15.425 -7.617 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -3.087 -12.725 -4.551 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.372 -13.952 -5.778 1.00 0.00 H new ATOM 426 N ASP A 26 -6.123 -17.517 -8.216 1.00 0.00 N ATOM 427 CA ASP A 26 -5.170 -18.553 -8.575 1.00 0.00 C ATOM 428 C ASP A 26 -4.472 -18.169 -9.880 1.00 0.00 C ATOM 429 O ASP A 26 -4.938 -18.516 -10.965 1.00 0.00 O ATOM 430 CB ASP A 26 -5.872 -19.896 -8.792 1.00 0.00 C ATOM 431 CG ASP A 26 -7.209 -19.814 -9.531 1.00 0.00 C ATOM 432 OD1 ASP A 26 -7.408 -18.950 -10.399 1.00 0.00 O ATOM 433 OD2 ASP A 26 -8.081 -20.697 -9.179 1.00 0.00 O ATOM 0 H ASP A 26 -6.798 -17.288 -8.945 1.00 0.00 H new ATOM 0 HA ASP A 26 -4.453 -18.648 -7.760 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -5.205 -20.552 -9.351 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -6.038 -20.363 -7.821 1.00 0.00 H new ATOM 439 N ALA A 27 -3.364 -17.455 -9.735 1.00 0.00 N ATOM 440 CA ALA A 27 -2.597 -17.019 -10.889 1.00 0.00 C ATOM 441 C ALA A 27 -1.341 -16.287 -10.414 1.00 0.00 C ATOM 442 O ALA A 27 -0.253 -16.861 -10.394 1.00 0.00 O ATOM 443 CB ALA A 27 -3.477 -16.146 -11.786 1.00 0.00 C ATOM 0 H ALA A 27 -2.980 -17.168 -8.835 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.275 -17.875 -11.482 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.902 -15.819 -12.652 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.340 -16.722 -12.120 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.817 -15.275 -11.226 1.00 0.00 H new ATOM 449 N ALA A 28 -1.533 -15.030 -10.042 1.00 0.00 N ATOM 450 CA ALA A 28 -0.428 -14.213 -9.568 1.00 0.00 C ATOM 451 C ALA A 28 -0.966 -12.863 -9.090 1.00 0.00 C ATOM 452 O ALA A 28 -1.903 -12.322 -9.676 1.00 0.00 O ATOM 453 CB ALA A 28 0.612 -14.065 -10.681 1.00 0.00 C ATOM 0 H ALA A 28 -2.437 -14.557 -10.059 1.00 0.00 H new ATOM 0 HA ALA A 28 0.066 -14.690 -8.721 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.441 -13.452 -10.326 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.984 -15.050 -10.964 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.153 -13.588 -11.547 1.00 0.00 H new ATOM 459 N THR A 29 -0.352 -12.357 -8.030 1.00 0.00 N ATOM 460 CA THR A 29 -0.757 -11.082 -7.467 1.00 0.00 C ATOM 461 C THR A 29 -0.298 -9.932 -8.367 1.00 0.00 C ATOM 462 O THR A 29 0.866 -9.871 -8.760 1.00 0.00 O ATOM 463 CB THR A 29 -0.204 -10.996 -6.043 1.00 0.00 C ATOM 464 OG1 THR A 29 -0.957 -9.947 -5.441 1.00 0.00 O ATOM 465 CG2 THR A 29 1.239 -10.489 -6.005 1.00 0.00 C ATOM 0 H THR A 29 0.424 -12.809 -7.546 1.00 0.00 H new ATOM 0 HA THR A 29 -1.843 -11.000 -7.415 1.00 0.00 H new ATOM 0 HB THR A 29 -0.256 -11.978 -5.574 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.664 -9.825 -4.514 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.583 -10.447 -4.971 1.00 0.00 H new ATOM 0 HG22 THR A 29 1.878 -11.166 -6.573 1.00 0.00 H new ATOM 0 HG23 THR A 29 1.286 -9.492 -6.444 1.00 0.00 H new ATOM 473 N PRO A 30 -1.263 -9.025 -8.676 1.00 0.00 N ATOM 474 CA PRO A 30 -0.970 -7.880 -9.522 1.00 0.00 C ATOM 475 C PRO A 30 -0.172 -6.822 -8.758 1.00 0.00 C ATOM 476 O PRO A 30 1.057 -6.854 -8.750 1.00 0.00 O ATOM 477 CB PRO A 30 -2.327 -7.378 -9.987 1.00 0.00 C ATOM 478 CG PRO A 30 -3.344 -7.965 -9.021 1.00 0.00 C ATOM 479 CD PRO A 30 -2.653 -9.063 -8.230 1.00 0.00 C ATOM 0 HA PRO A 30 -0.341 -8.137 -10.374 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -2.364 -6.289 -9.978 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -2.531 -7.696 -11.009 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.725 -7.194 -8.352 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.200 -8.366 -9.564 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.729 -8.886 -7.157 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.105 -10.036 -8.425 1.00 0.00 H new ATOM 487 N SER A 31 -0.904 -5.911 -8.132 1.00 0.00 N ATOM 488 CA SER A 31 -0.279 -4.847 -7.366 1.00 0.00 C ATOM 489 C SER A 31 -1.279 -4.268 -6.363 1.00 0.00 C ATOM 490 O SER A 31 -2.414 -4.733 -6.274 1.00 0.00 O ATOM 491 CB SER A 31 0.250 -3.744 -8.286 1.00 0.00 C ATOM 492 OG SER A 31 1.388 -4.169 -9.029 1.00 0.00 O ATOM 0 H SER A 31 -1.924 -5.889 -8.140 1.00 0.00 H new ATOM 0 HA SER A 31 0.568 -5.267 -6.823 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.538 -3.437 -8.974 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.512 -2.870 -7.690 1.00 0.00 H new ATOM 0 HG SER A 31 1.512 -5.134 -8.914 1.00 0.00 H new ATOM 498 N ILE A 32 -0.820 -3.261 -5.633 1.00 0.00 N ATOM 499 CA ILE A 32 -1.660 -2.614 -4.640 1.00 0.00 C ATOM 500 C ILE A 32 -2.735 -1.787 -5.348 1.00 0.00 C ATOM 501 O ILE A 32 -3.925 -1.944 -5.077 1.00 0.00 O ATOM 502 CB ILE A 32 -0.806 -1.805 -3.662 1.00 0.00 C ATOM 503 CG1 ILE A 32 0.505 -2.528 -3.350 1.00 0.00 C ATOM 504 CG2 ILE A 32 -1.594 -1.473 -2.392 1.00 0.00 C ATOM 505 CD1 ILE A 32 1.141 -1.984 -2.069 1.00 0.00 C ATOM 0 H ILE A 32 0.122 -2.878 -5.710 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.178 -3.358 -4.035 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.546 -0.859 -4.137 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.318 -3.596 -3.242 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.198 -2.408 -4.183 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.965 -0.898 -1.713 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.476 -0.888 -2.653 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.904 -2.397 -1.904 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.072 -2.516 -1.871 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.349 -0.921 -2.189 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.456 -2.128 -1.233 1.00 0.00 H new ATOM 517 N LYS A 33 -2.277 -0.922 -6.243 1.00 0.00 N ATOM 518 CA LYS A 33 -3.185 -0.070 -6.992 1.00 0.00 C ATOM 519 C LYS A 33 -4.131 -0.943 -7.819 1.00 0.00 C ATOM 520 O LYS A 33 -5.317 -0.640 -7.936 1.00 0.00 O ATOM 521 CB LYS A 33 -2.400 0.946 -7.825 1.00 0.00 C ATOM 522 CG LYS A 33 -3.335 1.752 -8.729 1.00 0.00 C ATOM 523 CD LYS A 33 -3.316 1.209 -10.160 1.00 0.00 C ATOM 524 CE LYS A 33 -2.258 1.923 -11.003 1.00 0.00 C ATOM 525 NZ LYS A 33 -2.849 2.414 -12.268 1.00 0.00 N ATOM 0 H LYS A 33 -1.290 -0.794 -6.466 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.804 0.517 -6.314 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.856 1.621 -7.164 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.658 0.428 -8.433 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.351 1.713 -8.335 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.033 2.799 -8.729 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.112 0.138 -10.144 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.298 1.339 -10.615 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.840 2.758 -10.441 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.436 1.241 -11.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.118 2.896 -12.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.227 1.611 -12.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.618 3.081 -12.056 1.00 0.00 H new ATOM 538 N ASP A 34 -3.571 -2.009 -8.371 1.00 0.00 N ATOM 539 CA ASP A 34 -4.351 -2.926 -9.184 1.00 0.00 C ATOM 540 C ASP A 34 -5.410 -3.603 -8.309 1.00 0.00 C ATOM 541 O ASP A 34 -6.515 -3.881 -8.771 1.00 0.00 O ATOM 542 CB ASP A 34 -3.465 -4.021 -9.782 1.00 0.00 C ATOM 543 CG ASP A 34 -3.613 -4.219 -11.292 1.00 0.00 C ATOM 544 OD1 ASP A 34 -4.448 -5.011 -11.753 1.00 0.00 O ATOM 545 OD2 ASP A 34 -2.816 -3.509 -12.017 1.00 0.00 O ATOM 0 H ASP A 34 -2.587 -2.258 -8.271 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.812 -2.354 -9.989 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.424 -3.786 -9.562 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.691 -4.963 -9.283 1.00 0.00 H new ATOM 551 N VAL A 35 -5.034 -3.845 -7.062 1.00 0.00 N ATOM 552 CA VAL A 35 -5.936 -4.482 -6.119 1.00 0.00 C ATOM 553 C VAL A 35 -6.919 -3.442 -5.578 1.00 0.00 C ATOM 554 O VAL A 35 -8.118 -3.700 -5.495 1.00 0.00 O ATOM 555 CB VAL A 35 -5.136 -5.179 -5.018 1.00 0.00 C ATOM 556 CG1 VAL A 35 -6.024 -5.501 -3.814 1.00 0.00 C ATOM 557 CG2 VAL A 35 -4.456 -6.443 -5.549 1.00 0.00 C ATOM 0 H VAL A 35 -4.116 -3.611 -6.683 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.522 -5.256 -6.615 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.357 -4.493 -4.687 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.430 -5.996 -3.046 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.440 -4.577 -3.412 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.835 -6.159 -4.126 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.894 -6.919 -4.745 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.212 -7.134 -5.921 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.777 -6.178 -6.359 1.00 0.00 H new ATOM 567 N LYS A 36 -6.372 -2.288 -5.223 1.00 0.00 N ATOM 568 CA LYS A 36 -7.186 -1.208 -4.691 1.00 0.00 C ATOM 569 C LYS A 36 -8.346 -0.930 -5.649 1.00 0.00 C ATOM 570 O LYS A 36 -9.413 -0.486 -5.226 1.00 0.00 O ATOM 571 CB LYS A 36 -6.321 0.021 -4.401 1.00 0.00 C ATOM 572 CG LYS A 36 -6.582 1.129 -5.422 1.00 0.00 C ATOM 573 CD LYS A 36 -5.395 2.092 -5.503 1.00 0.00 C ATOM 574 CE LYS A 36 -5.783 3.484 -5.000 1.00 0.00 C ATOM 575 NZ LYS A 36 -5.007 4.525 -5.709 1.00 0.00 N ATOM 0 H LYS A 36 -5.376 -2.078 -5.293 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.623 -1.496 -3.735 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.532 0.390 -3.397 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.268 -0.258 -4.423 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.765 0.689 -6.402 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.482 1.678 -5.146 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.567 1.705 -4.910 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.045 2.158 -6.533 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.849 3.649 -5.154 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.601 3.554 -3.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.282 5.464 -5.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.992 4.376 -5.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.201 4.468 -6.729 1.00 0.00 H new ATOM 588 N MET A 37 -8.099 -1.202 -6.922 1.00 0.00 N ATOM 589 CA MET A 37 -9.110 -0.987 -7.944 1.00 0.00 C ATOM 590 C MET A 37 -10.430 -1.659 -7.558 1.00 0.00 C ATOM 591 O MET A 37 -11.475 -1.011 -7.525 1.00 0.00 O ATOM 592 CB MET A 37 -8.619 -1.554 -9.276 1.00 0.00 C ATOM 593 CG MET A 37 -7.614 -0.608 -9.938 1.00 0.00 C ATOM 594 SD MET A 37 -8.107 -0.274 -11.621 1.00 0.00 S ATOM 595 CE MET A 37 -7.497 1.395 -11.796 1.00 0.00 C ATOM 0 H MET A 37 -7.213 -1.570 -7.269 1.00 0.00 H new ATOM 0 HA MET A 37 -9.283 0.085 -8.038 1.00 0.00 H new ATOM 0 HB2 MET A 37 -8.155 -2.527 -9.112 1.00 0.00 H new ATOM 0 HB3 MET A 37 -9.467 -1.713 -9.942 1.00 0.00 H new ATOM 0 HG2 MET A 37 -7.555 0.324 -9.376 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.619 -1.053 -9.923 1.00 0.00 H new ATOM 0 HE1 MET A 37 -7.722 1.762 -12.797 1.00 0.00 H new ATOM 0 HE2 MET A 37 -7.977 2.037 -11.058 1.00 0.00 H new ATOM 0 HE3 MET A 37 -6.418 1.406 -11.640 1.00 0.00 H new ATOM 605 N LYS A 38 -10.339 -2.951 -7.277 1.00 0.00 N ATOM 606 CA LYS A 38 -11.513 -3.718 -6.895 1.00 0.00 C ATOM 607 C LYS A 38 -11.945 -3.313 -5.484 1.00 0.00 C ATOM 608 O LYS A 38 -13.111 -2.996 -5.256 1.00 0.00 O ATOM 609 CB LYS A 38 -11.247 -5.217 -7.051 1.00 0.00 C ATOM 610 CG LYS A 38 -10.279 -5.485 -8.205 1.00 0.00 C ATOM 611 CD LYS A 38 -8.885 -5.836 -7.682 1.00 0.00 C ATOM 612 CE LYS A 38 -8.444 -7.214 -8.178 1.00 0.00 C ATOM 613 NZ LYS A 38 -8.284 -7.209 -9.649 1.00 0.00 N ATOM 0 H LYS A 38 -9.471 -3.486 -7.306 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.347 -3.495 -7.560 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.833 -5.615 -6.125 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.186 -5.740 -7.231 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.657 -6.302 -8.819 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.220 -4.606 -8.846 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.169 -5.082 -8.009 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.887 -5.822 -6.592 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.502 -7.493 -7.705 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.180 -7.964 -7.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.707 -8.025 -9.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.219 -7.269 -10.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.813 -6.330 -9.944 1.00 0.00 H new ATOM 626 N LEU A 39 -10.981 -3.337 -4.576 1.00 0.00 N ATOM 627 CA LEU A 39 -11.248 -2.977 -3.193 1.00 0.00 C ATOM 628 C LEU A 39 -11.957 -1.622 -3.151 1.00 0.00 C ATOM 629 O LEU A 39 -12.792 -1.381 -2.281 1.00 0.00 O ATOM 630 CB LEU A 39 -9.959 -3.022 -2.370 1.00 0.00 C ATOM 631 CG LEU A 39 -9.525 -4.404 -1.878 1.00 0.00 C ATOM 632 CD1 LEU A 39 -8.042 -4.411 -1.501 1.00 0.00 C ATOM 633 CD2 LEU A 39 -10.412 -4.878 -0.725 1.00 0.00 C ATOM 0 H LEU A 39 -10.015 -3.600 -4.770 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.919 -3.703 -2.733 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.153 -2.603 -2.972 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -10.082 -2.372 -1.504 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.652 -5.114 -2.695 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.759 -5.405 -1.155 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.444 -4.147 -2.373 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.865 -3.686 -0.707 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.083 -5.863 -0.394 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.339 -4.173 0.103 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.447 -4.936 -1.062 1.00 0.00 H new ATOM 645 N VAL A 40 -11.599 -0.773 -4.104 1.00 0.00 N ATOM 646 CA VAL A 40 -12.191 0.551 -4.187 1.00 0.00 C ATOM 647 C VAL A 40 -13.705 0.418 -4.369 1.00 0.00 C ATOM 648 O VAL A 40 -14.476 1.143 -3.742 1.00 0.00 O ATOM 649 CB VAL A 40 -11.522 1.354 -5.305 1.00 0.00 C ATOM 650 CG1 VAL A 40 -12.465 2.432 -5.844 1.00 0.00 C ATOM 651 CG2 VAL A 40 -10.205 1.967 -4.826 1.00 0.00 C ATOM 0 H VAL A 40 -10.907 -0.977 -4.825 1.00 0.00 H new ATOM 0 HA VAL A 40 -12.022 1.104 -3.263 1.00 0.00 H new ATOM 0 HB VAL A 40 -11.295 0.669 -6.121 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.966 2.988 -6.637 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -13.365 1.963 -6.241 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -12.737 3.114 -5.038 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.750 2.532 -5.639 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.398 2.633 -3.985 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.527 1.173 -4.512 1.00 0.00 H new ATOM 661 N ALA A 41 -14.085 -0.514 -5.231 1.00 0.00 N ATOM 662 CA ALA A 41 -15.492 -0.751 -5.504 1.00 0.00 C ATOM 663 C ALA A 41 -16.122 -1.478 -4.314 1.00 0.00 C ATOM 664 O ALA A 41 -17.279 -1.235 -3.976 1.00 0.00 O ATOM 665 CB ALA A 41 -15.634 -1.537 -6.809 1.00 0.00 C ATOM 0 H ALA A 41 -13.443 -1.114 -5.749 1.00 0.00 H new ATOM 0 HA ALA A 41 -16.022 0.193 -5.633 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -16.690 -1.715 -7.014 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -15.197 -0.965 -7.628 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -15.117 -2.492 -6.717 1.00 0.00 H new ATOM 671 N VAL A 42 -15.333 -2.357 -3.712 1.00 0.00 N ATOM 672 CA VAL A 42 -15.799 -3.122 -2.569 1.00 0.00 C ATOM 673 C VAL A 42 -16.015 -2.178 -1.384 1.00 0.00 C ATOM 674 O VAL A 42 -17.077 -2.187 -0.763 1.00 0.00 O ATOM 675 CB VAL A 42 -14.816 -4.253 -2.260 1.00 0.00 C ATOM 676 CG1 VAL A 42 -15.347 -5.148 -1.138 1.00 0.00 C ATOM 677 CG2 VAL A 42 -14.511 -5.071 -3.516 1.00 0.00 C ATOM 0 H VAL A 42 -14.374 -2.556 -3.995 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.757 -3.593 -2.789 1.00 0.00 H new ATOM 0 HB VAL A 42 -13.884 -3.804 -1.918 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.630 -5.944 -0.937 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -15.491 -4.554 -0.236 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -16.299 -5.585 -1.441 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -13.810 -5.868 -3.270 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -15.434 -5.505 -3.900 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -14.071 -4.423 -4.274 1.00 0.00 H new ATOM 687 N LEU A 43 -14.991 -1.384 -1.107 1.00 0.00 N ATOM 688 CA LEU A 43 -15.055 -0.436 -0.007 1.00 0.00 C ATOM 689 C LEU A 43 -15.941 0.745 -0.409 1.00 0.00 C ATOM 690 O LEU A 43 -16.629 1.324 0.431 1.00 0.00 O ATOM 691 CB LEU A 43 -13.647 -0.027 0.430 1.00 0.00 C ATOM 692 CG LEU A 43 -12.715 -1.167 0.841 1.00 0.00 C ATOM 693 CD1 LEU A 43 -11.416 -0.625 1.441 1.00 0.00 C ATOM 694 CD2 LEU A 43 -13.421 -2.140 1.788 1.00 0.00 C ATOM 0 H LEU A 43 -14.112 -1.378 -1.625 1.00 0.00 H new ATOM 0 HA LEU A 43 -15.514 -0.897 0.867 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -13.179 0.521 -0.388 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.735 0.664 1.268 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.447 -1.727 -0.055 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.771 -1.457 1.725 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.905 -0.005 0.704 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.645 -0.026 2.323 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -12.735 -2.941 2.064 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.739 -1.609 2.685 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.293 -2.565 1.290 1.00 0.00 H new ATOM 706 N ASN A 44 -15.897 1.066 -1.693 1.00 0.00 N ATOM 707 CA ASN A 44 -16.688 2.168 -2.217 1.00 0.00 C ATOM 708 C ASN A 44 -16.348 3.445 -1.446 1.00 0.00 C ATOM 709 O ASN A 44 -17.201 4.007 -0.761 1.00 0.00 O ATOM 710 CB ASN A 44 -18.185 1.899 -2.049 1.00 0.00 C ATOM 711 CG ASN A 44 -18.989 2.557 -3.172 1.00 0.00 C ATOM 712 OD1 ASN A 44 -18.450 3.148 -4.093 1.00 0.00 O ATOM 713 ND2 ASN A 44 -20.306 2.424 -3.044 1.00 0.00 N ATOM 0 H ASN A 44 -15.326 0.583 -2.387 1.00 0.00 H new ATOM 0 HA ASN A 44 -16.457 2.276 -3.277 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -18.367 0.824 -2.048 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -18.521 2.280 -1.085 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -20.930 2.829 -3.742 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -20.692 1.916 -2.248 1.00 0.00 H new ATOM 720 N ALA A 45 -15.100 3.867 -1.585 1.00 0.00 N ATOM 721 CA ALA A 45 -14.637 5.069 -0.911 1.00 0.00 C ATOM 722 C ALA A 45 -13.732 5.862 -1.856 1.00 0.00 C ATOM 723 O ALA A 45 -13.637 5.545 -3.040 1.00 0.00 O ATOM 724 CB ALA A 45 -13.927 4.682 0.389 1.00 0.00 C ATOM 0 H ALA A 45 -14.395 3.399 -2.154 1.00 0.00 H new ATOM 0 HA ALA A 45 -15.478 5.710 -0.646 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -13.579 5.582 0.896 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -14.621 4.146 1.037 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -13.075 4.042 0.161 1.00 0.00 H new ATOM 730 N ASN A 46 -13.092 6.877 -1.296 1.00 0.00 N ATOM 731 CA ASN A 46 -12.198 7.718 -2.074 1.00 0.00 C ATOM 732 C ASN A 46 -10.968 6.907 -2.485 1.00 0.00 C ATOM 733 O ASN A 46 -10.053 6.714 -1.686 1.00 0.00 O ATOM 734 CB ASN A 46 -11.721 8.919 -1.256 1.00 0.00 C ATOM 735 CG ASN A 46 -11.351 10.092 -2.166 1.00 0.00 C ATOM 736 OD1 ASN A 46 -11.306 9.978 -3.381 1.00 0.00 O ATOM 737 ND2 ASN A 46 -11.089 11.222 -1.515 1.00 0.00 N ATOM 0 H ASN A 46 -13.174 7.136 -0.313 1.00 0.00 H new ATOM 0 HA ASN A 46 -12.744 8.071 -2.949 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -12.504 9.225 -0.563 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.857 8.634 -0.655 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -10.832 12.062 -2.034 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -11.145 11.249 -0.497 1.00 0.00 H new ATOM 744 N LYS A 47 -10.986 6.452 -3.728 1.00 0.00 N ATOM 745 CA LYS A 47 -9.883 5.666 -4.254 1.00 0.00 C ATOM 746 C LYS A 47 -8.612 6.516 -4.257 1.00 0.00 C ATOM 747 O LYS A 47 -7.504 5.983 -4.232 1.00 0.00 O ATOM 748 CB LYS A 47 -10.242 5.090 -5.625 1.00 0.00 C ATOM 749 CG LYS A 47 -10.490 6.207 -6.642 1.00 0.00 C ATOM 750 CD LYS A 47 -9.192 6.606 -7.345 1.00 0.00 C ATOM 751 CE LYS A 47 -8.914 5.696 -8.542 1.00 0.00 C ATOM 752 NZ LYS A 47 -8.010 6.365 -9.504 1.00 0.00 N ATOM 0 H LYS A 47 -11.748 6.612 -4.387 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.689 4.806 -3.614 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -9.435 4.447 -5.976 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -11.132 4.467 -5.540 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.221 5.876 -7.380 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -10.916 7.074 -6.138 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.259 7.641 -7.679 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -8.361 6.551 -6.641 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.465 4.763 -8.200 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.851 5.437 -9.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.832 5.733 -10.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.452 7.243 -9.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.109 6.590 -9.035 1.00 0.00 H new ATOM 765 N GLN A 48 -8.814 7.825 -4.288 1.00 0.00 N ATOM 766 CA GLN A 48 -7.697 8.755 -4.295 1.00 0.00 C ATOM 767 C GLN A 48 -6.842 8.567 -3.040 1.00 0.00 C ATOM 768 O GLN A 48 -5.632 8.370 -3.133 1.00 0.00 O ATOM 769 CB GLN A 48 -8.187 10.199 -4.414 1.00 0.00 C ATOM 770 CG GLN A 48 -9.005 10.398 -5.691 1.00 0.00 C ATOM 771 CD GLN A 48 -9.836 11.681 -5.618 1.00 0.00 C ATOM 772 OE1 GLN A 48 -9.653 12.519 -4.750 1.00 0.00 O ATOM 773 NE2 GLN A 48 -10.755 11.786 -6.572 1.00 0.00 N ATOM 0 H GLN A 48 -9.735 8.264 -4.309 1.00 0.00 H new ATOM 0 HA GLN A 48 -7.078 8.543 -5.167 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.795 10.453 -3.546 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.334 10.877 -4.415 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -8.337 10.442 -6.551 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -9.663 9.543 -5.842 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -10.855 11.047 -7.268 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -11.361 12.606 -6.608 1.00 0.00 H new ATOM 782 N VAL A 49 -7.507 8.635 -1.895 1.00 0.00 N ATOM 783 CA VAL A 49 -6.823 8.475 -0.623 1.00 0.00 C ATOM 784 C VAL A 49 -7.150 7.097 -0.043 1.00 0.00 C ATOM 785 O VAL A 49 -7.679 6.995 1.062 1.00 0.00 O ATOM 786 CB VAL A 49 -7.193 9.623 0.318 1.00 0.00 C ATOM 787 CG1 VAL A 49 -6.608 10.948 -0.176 1.00 0.00 C ATOM 788 CG2 VAL A 49 -8.710 9.724 0.489 1.00 0.00 C ATOM 0 H VAL A 49 -8.511 8.799 -1.822 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.743 8.521 -0.761 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.759 9.409 1.294 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.886 11.747 0.511 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.522 10.871 -0.223 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.999 11.171 -1.169 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.946 10.548 1.163 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -9.174 9.904 -0.481 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -9.092 8.793 0.907 1.00 0.00 H new ATOM 798 N LEU A 50 -6.820 6.072 -0.815 1.00 0.00 N ATOM 799 CA LEU A 50 -7.072 4.705 -0.391 1.00 0.00 C ATOM 800 C LEU A 50 -5.848 3.844 -0.707 1.00 0.00 C ATOM 801 O LEU A 50 -5.277 3.945 -1.792 1.00 0.00 O ATOM 802 CB LEU A 50 -8.368 4.182 -1.013 1.00 0.00 C ATOM 803 CG LEU A 50 -8.573 2.667 -0.962 1.00 0.00 C ATOM 804 CD1 LEU A 50 -10.052 2.319 -0.777 1.00 0.00 C ATOM 805 CD2 LEU A 50 -7.976 1.991 -2.198 1.00 0.00 C ATOM 0 H LEU A 50 -6.381 6.161 -1.731 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.223 4.662 0.688 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.208 4.659 -0.509 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.401 4.498 -2.056 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.040 2.280 -0.094 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -10.170 1.236 -0.744 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -10.414 2.752 0.156 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.627 2.721 -1.611 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.135 0.914 -2.137 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -8.460 2.379 -3.094 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.907 2.197 -2.245 1.00 0.00 H new ATOM 817 N VAL A 51 -5.479 3.018 0.261 1.00 0.00 N ATOM 818 CA VAL A 51 -4.334 2.139 0.099 1.00 0.00 C ATOM 819 C VAL A 51 -4.511 0.907 0.988 1.00 0.00 C ATOM 820 O VAL A 51 -5.453 0.837 1.777 1.00 0.00 O ATOM 821 CB VAL A 51 -3.042 2.905 0.393 1.00 0.00 C ATOM 822 CG1 VAL A 51 -1.896 2.406 -0.488 1.00 0.00 C ATOM 823 CG2 VAL A 51 -3.248 4.412 0.223 1.00 0.00 C ATOM 0 H VAL A 51 -5.953 2.939 1.161 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.264 1.790 -0.931 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.771 2.718 1.432 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.990 2.967 -0.259 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.725 1.347 -0.297 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.155 2.548 -1.537 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.315 4.933 0.438 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.555 4.624 -0.801 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.021 4.753 0.911 1.00 0.00 H new ATOM 833 N VAL A 52 -3.594 -0.036 0.829 1.00 0.00 N ATOM 834 CA VAL A 52 -3.638 -1.262 1.607 1.00 0.00 C ATOM 835 C VAL A 52 -2.490 -1.261 2.618 1.00 0.00 C ATOM 836 O VAL A 52 -1.426 -0.703 2.355 1.00 0.00 O ATOM 837 CB VAL A 52 -3.611 -2.475 0.674 1.00 0.00 C ATOM 838 CG1 VAL A 52 -2.840 -3.635 1.306 1.00 0.00 C ATOM 839 CG2 VAL A 52 -5.029 -2.902 0.290 1.00 0.00 C ATOM 0 H VAL A 52 -2.816 0.025 0.172 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.569 -1.323 2.171 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.090 -2.185 -0.239 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.836 -4.484 0.623 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.814 -3.324 1.505 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.320 -3.924 2.241 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.982 -3.766 -0.373 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.586 -3.165 1.189 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.531 -2.080 -0.220 1.00 0.00 H new ATOM 849 N ASP A 53 -2.745 -1.892 3.755 1.00 0.00 N ATOM 850 CA ASP A 53 -1.746 -1.971 4.807 1.00 0.00 C ATOM 851 C ASP A 53 -0.712 -3.039 4.445 1.00 0.00 C ATOM 852 O ASP A 53 0.481 -2.753 4.371 1.00 0.00 O ATOM 853 CB ASP A 53 -2.382 -2.364 6.143 1.00 0.00 C ATOM 854 CG ASP A 53 -2.357 -1.274 7.216 1.00 0.00 C ATOM 855 OD1 ASP A 53 -1.313 -0.657 7.474 1.00 0.00 O ATOM 856 OD2 ASP A 53 -3.483 -1.065 7.808 1.00 0.00 O ATOM 0 H ASP A 53 -3.629 -2.353 3.971 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.281 -0.990 4.903 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.418 -2.653 5.964 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.867 -3.244 6.528 1.00 0.00 H new ATOM 862 N THR A 54 -1.209 -4.248 4.228 1.00 0.00 N ATOM 863 CA THR A 54 -0.343 -5.360 3.874 1.00 0.00 C ATOM 864 C THR A 54 -1.177 -6.574 3.459 1.00 0.00 C ATOM 865 O THR A 54 -2.365 -6.650 3.768 1.00 0.00 O ATOM 866 CB THR A 54 0.582 -5.635 5.062 1.00 0.00 C ATOM 867 OG1 THR A 54 1.733 -4.838 4.798 1.00 0.00 O ATOM 868 CG2 THR A 54 1.115 -7.069 5.068 1.00 0.00 C ATOM 0 H THR A 54 -2.200 -4.482 4.290 1.00 0.00 H new ATOM 0 HA THR A 54 0.276 -5.120 3.010 1.00 0.00 H new ATOM 0 HB THR A 54 0.046 -5.443 5.992 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.460 -4.003 4.365 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.766 -7.212 5.931 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.280 -7.767 5.124 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.680 -7.251 4.154 1.00 0.00 H new ATOM 876 N LEU A 55 -0.520 -7.493 2.767 1.00 0.00 N ATOM 877 CA LEU A 55 -1.187 -8.701 2.306 1.00 0.00 C ATOM 878 C LEU A 55 -0.277 -9.905 2.553 1.00 0.00 C ATOM 879 O LEU A 55 0.899 -9.744 2.875 1.00 0.00 O ATOM 880 CB LEU A 55 -1.624 -8.548 0.849 1.00 0.00 C ATOM 881 CG LEU A 55 -2.901 -9.291 0.451 1.00 0.00 C ATOM 882 CD1 LEU A 55 -4.002 -8.309 0.043 1.00 0.00 C ATOM 883 CD2 LEU A 55 -2.618 -10.320 -0.646 1.00 0.00 C ATOM 0 H LEU A 55 0.466 -7.427 2.514 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.103 -8.872 2.872 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.765 -7.487 0.642 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.812 -8.893 0.209 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.262 -9.838 1.322 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.899 -8.863 -0.235 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.229 -7.648 0.880 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.664 -7.716 -0.807 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.542 -10.834 -0.910 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.220 -9.814 -1.526 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.890 -11.046 -0.285 1.00 0.00 H new ATOM 895 N ASP A 56 -0.855 -11.086 2.392 1.00 0.00 N ATOM 896 CA ASP A 56 -0.111 -12.318 2.593 1.00 0.00 C ATOM 897 C ASP A 56 -0.853 -13.473 1.918 1.00 0.00 C ATOM 898 O ASP A 56 -2.034 -13.695 2.180 1.00 0.00 O ATOM 899 CB ASP A 56 0.019 -12.646 4.081 1.00 0.00 C ATOM 900 CG ASP A 56 1.436 -12.534 4.647 1.00 0.00 C ATOM 901 OD1 ASP A 56 1.932 -11.428 4.912 1.00 0.00 O ATOM 902 OD2 ASP A 56 2.046 -13.657 4.817 1.00 0.00 O ATOM 0 H ASP A 56 -1.831 -11.216 2.124 1.00 0.00 H new ATOM 0 HA ASP A 56 0.882 -12.185 2.164 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.634 -11.979 4.643 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.343 -13.661 4.247 1.00 0.00 H new ATOM 908 N GLN A 57 -0.129 -14.178 1.061 1.00 0.00 N ATOM 909 CA GLN A 57 -0.704 -15.305 0.346 1.00 0.00 C ATOM 910 C GLN A 57 -0.964 -16.467 1.307 1.00 0.00 C ATOM 911 O GLN A 57 -0.204 -16.679 2.251 1.00 0.00 O ATOM 912 CB GLN A 57 0.200 -15.740 -0.809 1.00 0.00 C ATOM 913 CG GLN A 57 -0.573 -16.586 -1.822 1.00 0.00 C ATOM 914 CD GLN A 57 0.267 -17.771 -2.303 1.00 0.00 C ATOM 915 OE1 GLN A 57 1.487 -17.743 -2.299 1.00 0.00 O ATOM 916 NE2 GLN A 57 -0.450 -18.812 -2.716 1.00 0.00 N ATOM 0 H GLN A 57 0.850 -13.991 0.846 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.657 -14.992 -0.080 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.612 -14.861 -1.304 1.00 0.00 H new ATOM 0 HB3 GLN A 57 1.043 -16.312 -0.420 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.495 -16.950 -1.369 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -0.858 -15.969 -2.674 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.469 -18.771 -2.693 1.00 0.00 H new ATOM 0 HE22 GLN A 57 0.019 -19.652 -3.055 1.00 0.00 H new ATOM 925 N ILE A 58 -2.039 -17.190 1.032 1.00 0.00 N ATOM 926 CA ILE A 58 -2.409 -18.326 1.861 1.00 0.00 C ATOM 927 C ILE A 58 -1.872 -19.610 1.227 1.00 0.00 C ATOM 928 O ILE A 58 -2.044 -19.835 0.030 1.00 0.00 O ATOM 929 CB ILE A 58 -3.920 -18.343 2.102 1.00 0.00 C ATOM 930 CG1 ILE A 58 -4.412 -16.984 2.603 1.00 0.00 C ATOM 931 CG2 ILE A 58 -4.310 -19.478 3.051 1.00 0.00 C ATOM 932 CD1 ILE A 58 -3.594 -16.514 3.807 1.00 0.00 C ATOM 0 H ILE A 58 -2.666 -17.012 0.247 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.953 -18.243 2.848 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.415 -18.533 1.150 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.340 -16.249 1.801 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.464 -17.053 2.879 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -5.389 -19.468 3.206 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.014 -20.433 2.617 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.805 -19.342 4.007 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.965 -15.546 4.143 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.687 -17.239 4.616 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.546 -16.422 3.521 1.00 0.00 H new ATOM 944 N PHE A 59 -1.233 -20.420 2.058 1.00 0.00 N ATOM 945 CA PHE A 59 -0.669 -21.677 1.594 1.00 0.00 C ATOM 946 C PHE A 59 -1.753 -22.750 1.468 1.00 0.00 C ATOM 947 O PHE A 59 -1.820 -23.454 0.463 1.00 0.00 O ATOM 948 CB PHE A 59 0.354 -22.122 2.640 1.00 0.00 C ATOM 949 CG PHE A 59 0.947 -23.507 2.380 1.00 0.00 C ATOM 950 CD1 PHE A 59 0.452 -24.593 3.033 1.00 0.00 C ATOM 951 CD2 PHE A 59 1.970 -23.655 1.495 1.00 0.00 C ATOM 952 CE1 PHE A 59 1.003 -25.880 2.792 1.00 0.00 C ATOM 953 CE2 PHE A 59 2.521 -24.941 1.254 1.00 0.00 C ATOM 954 CZ PHE A 59 2.026 -26.026 1.907 1.00 0.00 C ATOM 0 H PHE A 59 -1.093 -20.231 3.050 1.00 0.00 H new ATOM 0 HA PHE A 59 -0.214 -21.541 0.613 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.163 -21.392 2.675 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.120 -22.120 3.621 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.360 -24.477 3.735 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.363 -22.794 0.976 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.610 -26.742 3.311 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.333 -25.057 0.552 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.445 -27.004 1.723 1.00 0.00 H new ATOM 964 N GLY A 60 -2.574 -22.840 2.504 1.00 0.00 N ATOM 965 CA GLY A 60 -3.651 -23.816 2.523 1.00 0.00 C ATOM 966 C GLY A 60 -4.281 -23.962 1.136 1.00 0.00 C ATOM 967 O GLY A 60 -4.456 -25.077 0.645 1.00 0.00 O ATOM 0 H GLY A 60 -2.515 -22.253 3.336 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -3.267 -24.780 2.856 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -4.411 -23.510 3.242 1.00 0.00 H new ATOM 971 N LYS A 61 -4.606 -22.822 0.545 1.00 0.00 N ATOM 972 CA LYS A 61 -5.212 -22.809 -0.775 1.00 0.00 C ATOM 973 C LYS A 61 -4.688 -21.606 -1.562 1.00 0.00 C ATOM 974 O LYS A 61 -3.584 -21.128 -1.309 1.00 0.00 O ATOM 975 CB LYS A 61 -6.738 -22.853 -0.663 1.00 0.00 C ATOM 976 CG LYS A 61 -7.287 -21.531 -0.126 1.00 0.00 C ATOM 977 CD LYS A 61 -8.800 -21.441 -0.333 1.00 0.00 C ATOM 978 CE LYS A 61 -9.552 -21.887 0.922 1.00 0.00 C ATOM 979 NZ LYS A 61 -10.859 -21.197 1.017 1.00 0.00 N ATOM 0 H LYS A 61 -4.461 -21.900 0.957 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.929 -23.702 -1.333 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.172 -23.060 -1.641 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.034 -23.669 -0.003 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.056 -21.441 0.935 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.797 -20.698 -0.630 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.076 -20.416 -0.582 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.093 -22.064 -1.178 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.705 -22.966 0.897 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.954 -21.670 1.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.356 -21.512 1.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.706 -20.169 1.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.434 -21.425 0.181 1.00 0.00 H new ATOM 992 N LEU A 62 -5.506 -21.151 -2.500 1.00 0.00 N ATOM 993 CA LEU A 62 -5.138 -20.013 -3.326 1.00 0.00 C ATOM 994 C LEU A 62 -5.797 -18.750 -2.767 1.00 0.00 C ATOM 995 O LEU A 62 -6.435 -18.000 -3.505 1.00 0.00 O ATOM 996 CB LEU A 62 -5.475 -20.285 -4.793 1.00 0.00 C ATOM 997 CG LEU A 62 -4.617 -21.341 -5.494 1.00 0.00 C ATOM 998 CD1 LEU A 62 -5.488 -22.306 -6.301 1.00 0.00 C ATOM 999 CD2 LEU A 62 -3.536 -20.686 -6.355 1.00 0.00 C ATOM 0 H LEU A 62 -6.422 -21.550 -2.706 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.060 -19.852 -3.296 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.518 -20.594 -4.854 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.387 -19.349 -5.345 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.107 -21.929 -4.731 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.854 -23.046 -6.789 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.187 -22.810 -5.634 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.044 -21.750 -7.056 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.941 -21.459 -6.842 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.005 -20.058 -7.113 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.891 -20.074 -5.725 1.00 0.00 H new ATOM 1011 N GLU A 63 -5.619 -18.553 -1.468 1.00 0.00 N ATOM 1012 CA GLU A 63 -6.188 -17.393 -0.803 1.00 0.00 C ATOM 1013 C GLU A 63 -5.088 -16.390 -0.453 1.00 0.00 C ATOM 1014 O GLU A 63 -3.902 -16.709 -0.535 1.00 0.00 O ATOM 1015 CB GLU A 63 -6.971 -17.807 0.445 1.00 0.00 C ATOM 1016 CG GLU A 63 -8.073 -16.794 0.761 1.00 0.00 C ATOM 1017 CD GLU A 63 -9.437 -17.481 0.857 1.00 0.00 C ATOM 1018 OE1 GLU A 63 -10.162 -17.560 -0.146 1.00 0.00 O ATOM 1019 OE2 GLU A 63 -9.734 -17.942 2.024 1.00 0.00 O ATOM 0 H GLU A 63 -5.089 -19.177 -0.859 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.887 -16.912 -1.487 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.411 -18.793 0.293 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.292 -17.889 1.294 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.849 -16.289 1.701 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.101 -16.028 -0.014 1.00 0.00 H new ATOM 1027 N ALA A 64 -5.519 -15.197 -0.069 1.00 0.00 N ATOM 1028 CA ALA A 64 -4.585 -14.145 0.294 1.00 0.00 C ATOM 1029 C ALA A 64 -5.285 -13.144 1.216 1.00 0.00 C ATOM 1030 O ALA A 64 -6.280 -12.529 0.830 1.00 0.00 O ATOM 1031 CB ALA A 64 -4.039 -13.487 -0.975 1.00 0.00 C ATOM 0 H ALA A 64 -6.503 -14.936 -0.001 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.735 -14.556 0.839 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.338 -12.698 -0.703 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.526 -14.234 -1.581 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.863 -13.060 -1.547 1.00 0.00 H new ATOM 1037 N GLU A 65 -4.739 -13.010 2.415 1.00 0.00 N ATOM 1038 CA GLU A 65 -5.298 -12.093 3.395 1.00 0.00 C ATOM 1039 C GLU A 65 -4.454 -10.821 3.474 1.00 0.00 C ATOM 1040 O GLU A 65 -3.230 -10.875 3.350 1.00 0.00 O ATOM 1041 CB GLU A 65 -5.414 -12.761 4.767 1.00 0.00 C ATOM 1042 CG GLU A 65 -6.400 -12.007 5.661 1.00 0.00 C ATOM 1043 CD GLU A 65 -5.976 -12.084 7.129 1.00 0.00 C ATOM 1044 OE1 GLU A 65 -5.252 -11.201 7.612 1.00 0.00 O ATOM 1045 OE2 GLU A 65 -6.428 -13.106 7.774 1.00 0.00 O ATOM 0 H GLU A 65 -3.915 -13.521 2.731 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.303 -11.819 3.075 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.743 -13.793 4.646 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.435 -12.792 5.245 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.456 -10.964 5.349 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.398 -12.429 5.544 1.00 0.00 H new ATOM 1053 N GLY A 66 -5.138 -9.706 3.680 1.00 0.00 N ATOM 1054 CA GLY A 66 -4.466 -8.422 3.778 1.00 0.00 C ATOM 1055 C GLY A 66 -5.386 -7.366 4.398 1.00 0.00 C ATOM 1056 O GLY A 66 -6.598 -7.402 4.199 1.00 0.00 O ATOM 0 H GLY A 66 -6.152 -9.665 3.782 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.565 -8.524 4.383 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.149 -8.097 2.787 1.00 0.00 H new ATOM 1060 N TYR A 67 -4.772 -6.454 5.135 1.00 0.00 N ATOM 1061 CA TYR A 67 -5.521 -5.391 5.785 1.00 0.00 C ATOM 1062 C TYR A 67 -5.540 -4.128 4.922 1.00 0.00 C ATOM 1063 O TYR A 67 -4.537 -3.780 4.299 1.00 0.00 O ATOM 1064 CB TYR A 67 -4.780 -5.091 7.089 1.00 0.00 C ATOM 1065 CG TYR A 67 -5.696 -4.689 8.247 1.00 0.00 C ATOM 1066 CD1 TYR A 67 -5.664 -5.397 9.431 1.00 0.00 C ATOM 1067 CD2 TYR A 67 -6.556 -3.618 8.106 1.00 0.00 C ATOM 1068 CE1 TYR A 67 -6.527 -5.018 10.521 1.00 0.00 C ATOM 1069 CE2 TYR A 67 -7.419 -3.240 9.196 1.00 0.00 C ATOM 1070 CZ TYR A 67 -7.361 -3.958 10.349 1.00 0.00 C ATOM 1071 OH TYR A 67 -8.176 -3.601 11.378 1.00 0.00 O ATOM 0 H TYR A 67 -3.765 -6.428 5.297 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.554 -5.695 5.951 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.208 -5.972 7.381 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.063 -4.290 6.911 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.992 -6.235 9.541 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -6.582 -3.064 7.179 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -6.512 -5.563 11.453 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -8.097 -2.405 9.099 1.00 0.00 H new ATOM 0 HH TYR A 67 -7.701 -2.983 11.972 1.00 0.00 H new ATOM 1081 N ALA A 68 -6.692 -3.474 4.912 1.00 0.00 N ATOM 1082 CA ALA A 68 -6.856 -2.257 4.135 1.00 0.00 C ATOM 1083 C ALA A 68 -6.873 -1.053 5.079 1.00 0.00 C ATOM 1084 O ALA A 68 -7.432 -1.125 6.173 1.00 0.00 O ATOM 1085 CB ALA A 68 -8.131 -2.355 3.294 1.00 0.00 C ATOM 0 H ALA A 68 -7.521 -3.764 5.430 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.021 -2.126 3.447 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.254 -1.442 2.711 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.058 -3.208 2.620 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.991 -2.484 3.951 1.00 0.00 H new ATOM 1091 N LYS A 69 -6.252 0.024 4.623 1.00 0.00 N ATOM 1092 CA LYS A 69 -6.188 1.242 5.413 1.00 0.00 C ATOM 1093 C LYS A 69 -6.549 2.438 4.530 1.00 0.00 C ATOM 1094 O LYS A 69 -6.168 2.489 3.361 1.00 0.00 O ATOM 1095 CB LYS A 69 -4.822 1.369 6.092 1.00 0.00 C ATOM 1096 CG LYS A 69 -4.753 2.633 6.952 1.00 0.00 C ATOM 1097 CD LYS A 69 -4.223 3.818 6.143 1.00 0.00 C ATOM 1098 CE LYS A 69 -2.710 3.967 6.313 1.00 0.00 C ATOM 1099 NZ LYS A 69 -2.375 5.327 6.793 1.00 0.00 N ATOM 0 H LYS A 69 -5.788 0.079 3.716 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.919 1.210 6.221 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.637 0.492 6.712 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.037 1.396 5.336 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.744 2.867 7.340 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.107 2.457 7.812 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.462 3.679 5.089 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.720 4.733 6.464 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.342 3.224 7.021 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.211 3.777 5.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.963 5.879 6.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.238 5.798 7.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.688 5.261 7.571 1.00 0.00 H new ATOM 1112 N ILE A 70 -7.280 3.371 5.122 1.00 0.00 N ATOM 1113 CA ILE A 70 -7.697 4.563 4.404 1.00 0.00 C ATOM 1114 C ILE A 70 -7.593 5.775 5.331 1.00 0.00 C ATOM 1115 O ILE A 70 -7.949 5.694 6.506 1.00 0.00 O ATOM 1116 CB ILE A 70 -9.089 4.367 3.801 1.00 0.00 C ATOM 1117 CG1 ILE A 70 -9.062 3.321 2.685 1.00 0.00 C ATOM 1118 CG2 ILE A 70 -9.674 5.698 3.325 1.00 0.00 C ATOM 1119 CD1 ILE A 70 -10.433 2.662 2.517 1.00 0.00 C ATOM 0 H ILE A 70 -7.594 3.325 6.091 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.033 4.750 3.560 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.748 3.987 4.582 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.764 3.791 1.748 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -8.315 2.561 2.912 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -10.664 5.529 2.901 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -9.753 6.383 4.169 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -9.023 6.131 2.566 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -10.386 1.923 1.717 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -10.718 2.172 3.448 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -11.173 3.421 2.266 1.00 0.00 H new ATOM 1131 N TYR A 71 -7.104 6.871 4.769 1.00 0.00 N ATOM 1132 CA TYR A 71 -6.951 8.098 5.532 1.00 0.00 C ATOM 1133 C TYR A 71 -7.890 9.188 5.013 1.00 0.00 C ATOM 1134 O TYR A 71 -8.699 8.942 4.119 1.00 0.00 O ATOM 1135 CB TYR A 71 -5.503 8.547 5.320 1.00 0.00 C ATOM 1136 CG TYR A 71 -4.887 9.252 6.530 1.00 0.00 C ATOM 1137 CD1 TYR A 71 -4.731 10.624 6.523 1.00 0.00 C ATOM 1138 CD2 TYR A 71 -4.488 8.518 7.628 1.00 0.00 C ATOM 1139 CE1 TYR A 71 -4.151 11.288 7.662 1.00 0.00 C ATOM 1140 CE2 TYR A 71 -3.909 9.182 8.767 1.00 0.00 C ATOM 1141 CZ TYR A 71 -3.768 10.535 8.727 1.00 0.00 C ATOM 1142 OH TYR A 71 -3.221 11.162 9.803 1.00 0.00 O ATOM 0 H TYR A 71 -6.809 6.935 3.795 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.188 7.929 6.582 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -4.896 7.676 5.072 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.463 9.218 4.462 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -5.044 11.199 5.664 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.610 7.445 7.633 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -4.023 12.360 7.670 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.594 8.619 9.633 1.00 0.00 H new ATOM 0 HH TYR A 71 -3.768 10.986 10.597 1.00 0.00 H new ATOM 1152 N ASN A 72 -7.751 10.371 5.594 1.00 0.00 N ATOM 1153 CA ASN A 72 -8.577 11.500 5.201 1.00 0.00 C ATOM 1154 C ASN A 72 -7.733 12.490 4.396 1.00 0.00 C ATOM 1155 O ASN A 72 -8.088 12.845 3.274 1.00 0.00 O ATOM 1156 CB ASN A 72 -9.126 12.234 6.427 1.00 0.00 C ATOM 1157 CG ASN A 72 -10.553 11.782 6.744 1.00 0.00 C ATOM 1158 OD1 ASN A 72 -11.528 12.396 6.346 1.00 0.00 O ATOM 1159 ND2 ASN A 72 -10.619 10.676 7.481 1.00 0.00 N ATOM 0 H ASN A 72 -7.078 10.572 6.334 1.00 0.00 H new ATOM 0 HA ASN A 72 -9.407 11.119 4.607 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -8.482 12.046 7.286 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -9.113 13.309 6.248 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -11.527 10.293 7.746 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -9.762 10.211 7.781 1.00 0.00 H new ATOM 1166 N ASP A 73 -6.630 12.905 5.001 1.00 0.00 N ATOM 1167 CA ASP A 73 -5.731 13.847 4.355 1.00 0.00 C ATOM 1168 C ASP A 73 -4.290 13.357 4.508 1.00 0.00 C ATOM 1169 O ASP A 73 -3.825 13.125 5.623 1.00 0.00 O ATOM 1170 CB ASP A 73 -5.831 15.232 4.997 1.00 0.00 C ATOM 1171 CG ASP A 73 -6.444 15.254 6.397 1.00 0.00 C ATOM 1172 OD1 ASP A 73 -7.610 14.878 6.591 1.00 0.00 O ATOM 1173 OD2 ASP A 73 -5.660 15.684 7.329 1.00 0.00 O ATOM 0 H ASP A 73 -6.338 12.606 5.932 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.012 13.916 3.304 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -4.832 15.665 5.048 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -6.425 15.875 4.347 1.00 0.00 H new ATOM 1179 N GLU A 74 -3.623 13.215 3.372 1.00 0.00 N ATOM 1180 CA GLU A 74 -2.245 12.757 3.366 1.00 0.00 C ATOM 1181 C GLU A 74 -1.344 13.776 4.068 1.00 0.00 C ATOM 1182 O GLU A 74 -0.236 13.444 4.488 1.00 0.00 O ATOM 1183 CB GLU A 74 -1.761 12.489 1.940 1.00 0.00 C ATOM 1184 CG GLU A 74 -2.688 11.505 1.223 1.00 0.00 C ATOM 1185 CD GLU A 74 -2.287 11.345 -0.246 1.00 0.00 C ATOM 1186 OE1 GLU A 74 -2.596 12.215 -1.071 1.00 0.00 O ATOM 1187 OE2 GLU A 74 -1.630 10.268 -0.517 1.00 0.00 O ATOM 0 H GLU A 74 -4.012 13.409 2.449 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.194 11.816 3.914 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.719 13.426 1.384 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.748 12.088 1.965 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.651 10.536 1.721 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.718 11.857 1.286 1.00 0.00 H new ATOM 1195 N LYS A 75 -1.852 14.994 4.172 1.00 0.00 N ATOM 1196 CA LYS A 75 -1.108 16.064 4.815 1.00 0.00 C ATOM 1197 C LYS A 75 -0.773 15.654 6.251 1.00 0.00 C ATOM 1198 O LYS A 75 0.364 15.805 6.694 1.00 0.00 O ATOM 1199 CB LYS A 75 -1.873 17.385 4.715 1.00 0.00 C ATOM 1200 CG LYS A 75 -1.655 18.042 3.351 1.00 0.00 C ATOM 1201 CD LYS A 75 -1.111 19.464 3.508 1.00 0.00 C ATOM 1202 CE LYS A 75 -1.998 20.291 4.441 1.00 0.00 C ATOM 1203 NZ LYS A 75 -1.991 21.714 4.036 1.00 0.00 N ATOM 0 H LYS A 75 -2.771 15.265 3.822 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.161 16.232 4.301 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.937 17.206 4.871 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.544 18.060 5.505 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.958 17.445 2.763 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.596 18.067 2.801 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.096 19.427 3.904 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.055 19.946 2.532 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.017 19.906 4.419 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.643 20.197 5.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.598 22.261 4.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.019 22.082 4.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.351 21.800 3.064 1.00 0.00 H new ATOM 1216 N ALA A 76 -1.785 15.145 6.938 1.00 0.00 N ATOM 1217 CA ALA A 76 -1.612 14.712 8.314 1.00 0.00 C ATOM 1218 C ALA A 76 -0.846 13.388 8.336 1.00 0.00 C ATOM 1219 O ALA A 76 0.166 13.265 9.025 1.00 0.00 O ATOM 1220 CB ALA A 76 -2.980 14.605 8.991 1.00 0.00 C ATOM 0 H ALA A 76 -2.727 15.023 6.567 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.026 15.441 8.874 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -2.851 14.280 10.023 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.471 15.578 8.976 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.595 13.880 8.457 1.00 0.00 H new ATOM 1226 N MET A 77 -1.358 12.432 7.575 1.00 0.00 N ATOM 1227 CA MET A 77 -0.733 11.123 7.498 1.00 0.00 C ATOM 1228 C MET A 77 0.749 11.242 7.139 1.00 0.00 C ATOM 1229 O MET A 77 1.594 10.593 7.755 1.00 0.00 O ATOM 1230 CB MET A 77 -1.449 10.277 6.442 1.00 0.00 C ATOM 1231 CG MET A 77 -0.481 9.291 5.783 1.00 0.00 C ATOM 1232 SD MET A 77 -1.387 7.913 5.099 1.00 0.00 S ATOM 1233 CE MET A 77 -1.018 8.128 3.366 1.00 0.00 C ATOM 0 H MET A 77 -2.198 12.538 7.007 1.00 0.00 H new ATOM 0 HA MET A 77 -0.813 10.645 8.475 1.00 0.00 H new ATOM 0 HB2 MET A 77 -2.272 9.731 6.904 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.884 10.927 5.683 1.00 0.00 H new ATOM 0 HG2 MET A 77 0.083 9.793 4.997 1.00 0.00 H new ATOM 0 HG3 MET A 77 0.242 8.934 6.516 1.00 0.00 H new ATOM 0 HE1 MET A 77 -1.054 7.161 2.864 1.00 0.00 H new ATOM 0 HE2 MET A 77 -1.753 8.797 2.918 1.00 0.00 H new ATOM 0 HE3 MET A 77 -0.022 8.557 3.257 1.00 0.00 H new ATOM 1243 N ALA A 78 1.020 12.074 6.146 1.00 0.00 N ATOM 1244 CA ALA A 78 2.385 12.286 5.697 1.00 0.00 C ATOM 1245 C ALA A 78 3.272 12.591 6.905 1.00 0.00 C ATOM 1246 O ALA A 78 4.461 12.273 6.904 1.00 0.00 O ATOM 1247 CB ALA A 78 2.413 13.407 4.657 1.00 0.00 C ATOM 0 H ALA A 78 0.316 12.611 5.638 1.00 0.00 H new ATOM 0 HA ALA A 78 2.775 11.388 5.218 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.438 13.566 4.320 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.790 13.130 3.806 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.031 14.326 5.102 1.00 0.00 H new ATOM 1253 N THR A 79 2.661 13.203 7.910 1.00 0.00 N ATOM 1254 CA THR A 79 3.380 13.554 9.122 1.00 0.00 C ATOM 1255 C THR A 79 3.254 12.437 10.159 1.00 0.00 C ATOM 1256 O THR A 79 4.253 11.849 10.571 1.00 0.00 O ATOM 1257 CB THR A 79 2.850 14.903 9.613 1.00 0.00 C ATOM 1258 OG1 THR A 79 3.448 15.852 8.734 1.00 0.00 O ATOM 1259 CG2 THR A 79 3.394 15.278 10.993 1.00 0.00 C ATOM 0 H THR A 79 1.675 13.465 7.909 1.00 0.00 H new ATOM 0 HA THR A 79 4.448 13.659 8.932 1.00 0.00 H new ATOM 0 HB THR A 79 1.761 14.874 9.648 1.00 0.00 H new ATOM 0 HG1 THR A 79 3.157 16.755 8.980 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.987 16.243 11.295 1.00 0.00 H new ATOM 0 HG22 THR A 79 3.102 14.518 11.718 1.00 0.00 H new ATOM 0 HG23 THR A 79 4.481 15.340 10.951 1.00 0.00 H new ATOM 1267 N ILE A 80 2.015 12.178 10.554 1.00 0.00 N ATOM 1268 CA ILE A 80 1.744 11.141 11.536 1.00 0.00 C ATOM 1269 C ILE A 80 2.655 9.942 11.270 1.00 0.00 C ATOM 1270 O ILE A 80 3.542 9.641 12.069 1.00 0.00 O ATOM 1271 CB ILE A 80 0.255 10.791 11.549 1.00 0.00 C ATOM 1272 CG1 ILE A 80 -0.534 11.785 12.403 1.00 0.00 C ATOM 1273 CG2 ILE A 80 0.036 9.346 12.000 1.00 0.00 C ATOM 1274 CD1 ILE A 80 -1.996 11.351 12.541 1.00 0.00 C ATOM 0 H ILE A 80 1.188 12.668 10.212 1.00 0.00 H new ATOM 0 HA ILE A 80 1.972 11.499 12.540 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.124 10.871 10.530 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.079 11.862 13.391 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.486 12.776 11.951 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.031 9.123 12.000 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.548 8.670 11.316 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.435 9.214 13.006 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.534 12.075 13.153 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.455 11.298 11.554 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.041 10.371 13.015 1.00 0.00 H new ATOM 1286 N GLU A 81 2.407 9.288 10.145 1.00 0.00 N ATOM 1287 CA GLU A 81 3.195 8.128 9.763 1.00 0.00 C ATOM 1288 C GLU A 81 4.501 8.569 9.099 1.00 0.00 C ATOM 1289 O GLU A 81 4.813 9.758 9.062 1.00 0.00 O ATOM 1290 CB GLU A 81 2.397 7.202 8.843 1.00 0.00 C ATOM 1291 CG GLU A 81 2.131 5.855 9.518 1.00 0.00 C ATOM 1292 CD GLU A 81 3.444 5.149 9.867 1.00 0.00 C ATOM 1293 OE1 GLU A 81 4.359 5.096 9.034 1.00 0.00 O ATOM 1294 OE2 GLU A 81 3.492 4.645 11.054 1.00 0.00 O ATOM 0 H GLU A 81 1.671 9.539 9.485 1.00 0.00 H new ATOM 0 HA GLU A 81 3.440 7.567 10.665 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.451 7.674 8.579 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.945 7.045 7.914 1.00 0.00 H new ATOM 0 HG2 GLU A 81 1.544 6.007 10.424 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.539 5.223 8.856 1.00 0.00 H new ATOM 1302 N THR A 82 5.229 7.585 8.590 1.00 0.00 N ATOM 1303 CA THR A 82 6.494 7.856 7.929 1.00 0.00 C ATOM 1304 C THR A 82 6.541 7.166 6.563 1.00 0.00 C ATOM 1305 O THR A 82 5.502 6.821 6.002 1.00 0.00 O ATOM 1306 CB THR A 82 7.621 7.422 8.868 1.00 0.00 C ATOM 1307 OG1 THR A 82 7.628 6.000 8.767 1.00 0.00 O ATOM 1308 CG2 THR A 82 7.295 7.690 10.337 1.00 0.00 C ATOM 0 H THR A 82 4.967 6.600 8.622 1.00 0.00 H new ATOM 0 HA THR A 82 6.613 8.920 7.725 1.00 0.00 H new ATOM 0 HB THR A 82 8.539 7.945 8.599 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.331 5.635 9.343 1.00 0.00 H new ATOM 0 HG21 THR A 82 8.128 7.363 10.960 1.00 0.00 H new ATOM 0 HG22 THR A 82 7.129 8.757 10.484 1.00 0.00 H new ATOM 0 HG23 THR A 82 6.396 7.141 10.616 1.00 0.00 H new ATOM 1316 N LYS A 83 7.757 6.987 6.068 1.00 0.00 N ATOM 1317 CA LYS A 83 7.952 6.345 4.779 1.00 0.00 C ATOM 1318 C LYS A 83 7.492 4.888 4.865 1.00 0.00 C ATOM 1319 O LYS A 83 7.200 4.265 3.845 1.00 0.00 O ATOM 1320 CB LYS A 83 9.401 6.507 4.315 1.00 0.00 C ATOM 1321 CG LYS A 83 10.324 5.534 5.051 1.00 0.00 C ATOM 1322 CD LYS A 83 11.067 6.239 6.189 1.00 0.00 C ATOM 1323 CE LYS A 83 12.471 6.660 5.750 1.00 0.00 C ATOM 1324 NZ LYS A 83 13.491 6.089 6.657 1.00 0.00 N ATOM 0 H LYS A 83 8.616 7.275 6.536 1.00 0.00 H new ATOM 0 HA LYS A 83 7.341 6.827 4.016 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.464 6.332 3.241 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.731 7.531 4.491 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.740 4.705 5.451 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.043 5.109 4.351 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.504 7.116 6.507 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.135 5.574 7.050 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.655 6.325 4.729 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.547 7.747 5.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 14.438 6.385 6.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 13.324 6.429 7.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 13.429 5.051 6.639 1.00 0.00 H new ATOM 1337 N SER A 84 7.443 4.388 6.091 1.00 0.00 N ATOM 1338 CA SER A 84 7.024 3.017 6.322 1.00 0.00 C ATOM 1339 C SER A 84 5.640 2.783 5.713 1.00 0.00 C ATOM 1340 O SER A 84 5.440 1.824 4.967 1.00 0.00 O ATOM 1341 CB SER A 84 7.007 2.691 7.817 1.00 0.00 C ATOM 1342 OG SER A 84 8.301 2.341 8.301 1.00 0.00 O ATOM 0 H SER A 84 7.686 4.908 6.934 1.00 0.00 H new ATOM 0 HA SER A 84 7.743 2.354 5.841 1.00 0.00 H new ATOM 0 HB2 SER A 84 6.633 3.552 8.372 1.00 0.00 H new ATOM 0 HB3 SER A 84 6.316 1.868 8.001 1.00 0.00 H new ATOM 0 HG SER A 84 8.249 2.142 9.259 1.00 0.00 H new ATOM 1348 N VAL A 85 4.719 3.673 6.053 1.00 0.00 N ATOM 1349 CA VAL A 85 3.361 3.575 5.548 1.00 0.00 C ATOM 1350 C VAL A 85 3.293 4.197 4.153 1.00 0.00 C ATOM 1351 O VAL A 85 2.727 3.608 3.233 1.00 0.00 O ATOM 1352 CB VAL A 85 2.388 4.220 6.538 1.00 0.00 C ATOM 1353 CG1 VAL A 85 1.159 4.777 5.815 1.00 0.00 C ATOM 1354 CG2 VAL A 85 1.980 3.228 7.630 1.00 0.00 C ATOM 0 H VAL A 85 4.887 4.466 6.673 1.00 0.00 H new ATOM 0 HA VAL A 85 3.064 2.531 5.452 1.00 0.00 H new ATOM 0 HB VAL A 85 2.901 5.054 7.017 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.484 5.230 6.541 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.472 5.530 5.092 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.644 3.968 5.296 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.289 3.711 8.320 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.494 2.365 7.175 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.866 2.901 8.174 1.00 0.00 H new ATOM 1364 N LEU A 86 3.879 5.381 4.038 1.00 0.00 N ATOM 1365 CA LEU A 86 3.892 6.089 2.770 1.00 0.00 C ATOM 1366 C LEU A 86 4.547 5.207 1.705 1.00 0.00 C ATOM 1367 O LEU A 86 4.336 5.409 0.510 1.00 0.00 O ATOM 1368 CB LEU A 86 4.556 7.458 2.928 1.00 0.00 C ATOM 1369 CG LEU A 86 3.705 8.544 3.591 1.00 0.00 C ATOM 1370 CD1 LEU A 86 2.538 7.928 4.366 1.00 0.00 C ATOM 1371 CD2 LEU A 86 4.564 9.451 4.474 1.00 0.00 C ATOM 0 H LEU A 86 4.348 5.867 4.803 1.00 0.00 H new ATOM 0 HA LEU A 86 2.874 6.291 2.436 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.468 7.332 3.512 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.855 7.811 1.941 1.00 0.00 H new ATOM 0 HG LEU A 86 3.277 9.169 2.807 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.949 8.721 4.828 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.908 7.358 3.683 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.925 7.266 5.140 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.935 10.214 4.933 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.039 8.856 5.253 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.331 9.931 3.866 1.00 0.00 H new ATOM 1383 N GLU A 87 5.331 4.248 2.176 1.00 0.00 N ATOM 1384 CA GLU A 87 6.019 3.335 1.280 1.00 0.00 C ATOM 1385 C GLU A 87 5.009 2.589 0.406 1.00 0.00 C ATOM 1386 O GLU A 87 5.131 2.577 -0.819 1.00 0.00 O ATOM 1387 CB GLU A 87 6.896 2.356 2.061 1.00 0.00 C ATOM 1388 CG GLU A 87 8.366 2.777 2.011 1.00 0.00 C ATOM 1389 CD GLU A 87 9.175 1.838 1.113 1.00 0.00 C ATOM 1390 OE1 GLU A 87 9.510 2.203 -0.023 1.00 0.00 O ATOM 1391 OE2 GLU A 87 9.456 0.692 1.636 1.00 0.00 O ATOM 0 H GLU A 87 5.505 4.084 3.168 1.00 0.00 H new ATOM 0 HA GLU A 87 6.673 3.918 0.631 1.00 0.00 H new ATOM 0 HB2 GLU A 87 6.562 2.310 3.098 1.00 0.00 H new ATOM 0 HB3 GLU A 87 6.787 1.354 1.646 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.443 3.798 1.638 1.00 0.00 H new ATOM 0 HG3 GLU A 87 8.784 2.773 3.018 1.00 0.00 H new ATOM 1399 N LYS A 88 4.034 1.984 1.068 1.00 0.00 N ATOM 1400 CA LYS A 88 3.004 1.236 0.367 1.00 0.00 C ATOM 1401 C LYS A 88 2.448 2.090 -0.774 1.00 0.00 C ATOM 1402 O LYS A 88 2.490 1.686 -1.934 1.00 0.00 O ATOM 1403 CB LYS A 88 1.935 0.748 1.346 1.00 0.00 C ATOM 1404 CG LYS A 88 2.550 -0.141 2.430 1.00 0.00 C ATOM 1405 CD LYS A 88 2.331 0.459 3.820 1.00 0.00 C ATOM 1406 CE LYS A 88 0.850 0.424 4.205 1.00 0.00 C ATOM 1407 NZ LYS A 88 0.690 0.595 5.666 1.00 0.00 N ATOM 0 H LYS A 88 3.935 1.996 2.083 1.00 0.00 H new ATOM 0 HA LYS A 88 3.426 0.337 -0.082 1.00 0.00 H new ATOM 0 HB2 LYS A 88 1.442 1.603 1.808 1.00 0.00 H new ATOM 0 HB3 LYS A 88 1.169 0.192 0.806 1.00 0.00 H new ATOM 0 HG2 LYS A 88 2.106 -1.135 2.385 1.00 0.00 H new ATOM 0 HG3 LYS A 88 3.618 -0.260 2.245 1.00 0.00 H new ATOM 0 HD2 LYS A 88 2.915 -0.095 4.555 1.00 0.00 H new ATOM 0 HD3 LYS A 88 2.691 1.488 3.837 1.00 0.00 H new ATOM 0 HE2 LYS A 88 0.313 1.214 3.680 1.00 0.00 H new ATOM 0 HE3 LYS A 88 0.409 -0.523 3.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.183 -0.224 6.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 1.627 0.668 6.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 0.148 1.462 5.857 1.00 0.00 H new ATOM 1420 N ASN A 89 1.939 3.257 -0.404 1.00 0.00 N ATOM 1421 CA ASN A 89 1.376 4.172 -1.382 1.00 0.00 C ATOM 1422 C ASN A 89 2.505 4.968 -2.038 1.00 0.00 C ATOM 1423 O ASN A 89 2.462 6.197 -2.077 1.00 0.00 O ATOM 1424 CB ASN A 89 0.419 5.165 -0.720 1.00 0.00 C ATOM 1425 CG ASN A 89 -0.781 5.456 -1.624 1.00 0.00 C ATOM 1426 OD1 ASN A 89 -1.148 4.672 -2.483 1.00 0.00 O ATOM 1427 ND2 ASN A 89 -1.369 6.625 -1.382 1.00 0.00 N ATOM 0 H ASN A 89 1.905 3.589 0.560 1.00 0.00 H new ATOM 0 HA ASN A 89 0.831 3.584 -2.120 1.00 0.00 H new ATOM 0 HB2 ASN A 89 0.073 4.762 0.232 1.00 0.00 H new ATOM 0 HB3 ASN A 89 0.947 6.093 -0.500 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -2.179 6.912 -1.932 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -1.010 7.234 -0.647 1.00 0.00 H new