USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 620 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -113:sc=-0.00397 (180deg=-0.1) USER MOD Single : A 1 MET N :NH3+ 168:sc= 0.809 (180deg=0.593) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 131:sc= 1.31 (180deg=0.268) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.0492! C(o=-0.049!,f=-7.4!) USER MOD Single : A 20 ASN : amide:sc= -0.0406 K(o=-0.041,f=-1) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.0353 K(o=-0.035,f=-1.6) USER MOD Single : A 28 ASN : amide:sc= -0.171 K(o=-0.17,f=-1.7) USER MOD Single : A 30 THR OG1 : rot -45:sc= 0.0152 USER MOD Single : A 31 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00433) USER MOD Single : A 37 HIS : no HD1:sc= -0.671 X(o=-0.67,f=-0.76) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0.0316 K(o=0.032,f=-0.89) USER MOD Single : A 45 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0375 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 1.15 K(o=1.1,f=-0.028) USER MOD Single : A 76 THR OG1 : rot -177:sc= 0.553 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.150 -13.811 6.101 1.00 0.00 N ATOM 2 CA MET A 1 1.472 -14.470 7.386 1.00 0.00 C ATOM 3 C MET A 1 2.493 -15.546 7.252 1.00 0.00 C ATOM 4 O MET A 1 3.301 -15.761 8.155 1.00 0.00 O ATOM 5 CB MET A 1 0.167 -14.944 8.049 1.00 0.00 C ATOM 6 CG MET A 1 0.328 -15.412 9.497 1.00 0.00 C ATOM 7 SD MET A 1 -1.235 -15.881 10.299 1.00 0.00 S ATOM 8 CE MET A 1 -1.800 -14.194 10.665 1.00 0.00 C ATOM 0 H1 MET A 1 0.301 -13.222 6.216 1.00 0.00 H new ATOM 0 H2 MET A 1 1.949 -13.213 5.808 1.00 0.00 H new ATOM 0 H3 MET A 1 0.974 -14.534 5.375 1.00 0.00 H new ATOM 0 HA MET A 1 1.946 -13.741 8.043 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.557 -14.130 8.021 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.250 -15.761 7.460 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.006 -16.265 9.519 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.797 -14.616 10.076 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.806 -14.038 11.744 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.126 -13.475 10.199 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.807 -14.054 10.272 1.00 0.00 H new ATOM 20 N LYS A 2 2.542 -16.259 6.112 1.00 0.00 N ATOM 21 CA LYS A 2 3.704 -16.981 5.696 1.00 0.00 C ATOM 22 C LYS A 2 4.347 -16.292 4.542 1.00 0.00 C ATOM 23 O LYS A 2 3.787 -15.364 3.960 1.00 0.00 O ATOM 24 CB LYS A 2 3.355 -18.433 5.327 1.00 0.00 C ATOM 25 CG LYS A 2 2.900 -19.265 6.527 1.00 0.00 C ATOM 26 CD LYS A 2 2.591 -20.724 6.185 1.00 0.00 C ATOM 27 CE LYS A 2 3.809 -21.546 5.761 1.00 0.00 C ATOM 28 NZ LYS A 2 3.447 -22.968 5.563 1.00 0.00 N ATOM 0 H LYS A 2 1.757 -16.335 5.465 1.00 0.00 H new ATOM 0 HA LYS A 2 4.405 -17.008 6.530 1.00 0.00 H new ATOM 0 HB2 LYS A 2 2.567 -18.431 4.574 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.226 -18.906 4.874 1.00 0.00 H new ATOM 0 HG2 LYS A 2 3.676 -19.237 7.292 1.00 0.00 H new ATOM 0 HG3 LYS A 2 2.010 -18.806 6.959 1.00 0.00 H new ATOM 0 HD2 LYS A 2 2.132 -21.198 7.053 1.00 0.00 H new ATOM 0 HD3 LYS A 2 1.854 -20.748 5.382 1.00 0.00 H new ATOM 0 HE2 LYS A 2 4.222 -21.140 4.838 1.00 0.00 H new ATOM 0 HE3 LYS A 2 4.587 -21.468 6.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 4.291 -23.504 5.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 3.075 -23.358 6.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 2.721 -23.041 4.822 1.00 0.00 H new ATOM 42 N LYS A 3 5.573 -16.715 4.186 1.00 0.00 N ATOM 43 CA LYS A 3 6.414 -16.271 3.117 1.00 0.00 C ATOM 44 C LYS A 3 5.806 -16.148 1.763 1.00 0.00 C ATOM 45 O LYS A 3 5.592 -17.125 1.046 1.00 0.00 O ATOM 46 CB LYS A 3 7.647 -17.191 3.089 1.00 0.00 C ATOM 47 CG LYS A 3 8.801 -16.756 2.182 1.00 0.00 C ATOM 48 CD LYS A 3 10.010 -17.670 2.393 1.00 0.00 C ATOM 49 CE LYS A 3 11.251 -17.270 1.592 1.00 0.00 C ATOM 50 NZ LYS A 3 12.403 -18.085 2.038 1.00 0.00 N ATOM 0 H LYS A 3 6.027 -17.460 4.715 1.00 0.00 H new ATOM 0 HA LYS A 3 6.659 -15.233 3.343 1.00 0.00 H new ATOM 0 HB2 LYS A 3 8.028 -17.283 4.106 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.325 -18.185 2.779 1.00 0.00 H new ATOM 0 HG2 LYS A 3 8.487 -16.791 1.139 1.00 0.00 H new ATOM 0 HG3 LYS A 3 9.074 -15.723 2.398 1.00 0.00 H new ATOM 0 HD2 LYS A 3 10.264 -17.678 3.453 1.00 0.00 H new ATOM 0 HD3 LYS A 3 9.731 -18.689 2.124 1.00 0.00 H new ATOM 0 HE2 LYS A 3 11.075 -17.420 0.527 1.00 0.00 H new ATOM 0 HE3 LYS A 3 11.464 -16.210 1.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 13.249 -17.816 1.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 12.574 -17.920 3.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 12.197 -19.092 1.881 1.00 0.00 H new ATOM 64 N VAL A 4 5.523 -14.892 1.374 1.00 0.00 N ATOM 65 CA VAL A 4 4.966 -14.475 0.125 1.00 0.00 C ATOM 66 C VAL A 4 3.604 -15.019 -0.137 1.00 0.00 C ATOM 67 O VAL A 4 3.426 -16.184 -0.486 1.00 0.00 O ATOM 68 CB VAL A 4 5.878 -14.691 -1.046 1.00 0.00 C ATOM 69 CG1 VAL A 4 5.212 -14.218 -2.349 1.00 0.00 C ATOM 70 CG2 VAL A 4 7.209 -13.952 -0.829 1.00 0.00 C ATOM 0 H VAL A 4 5.701 -14.099 1.990 1.00 0.00 H new ATOM 0 HA VAL A 4 4.854 -13.397 0.237 1.00 0.00 H new ATOM 0 HB VAL A 4 6.079 -15.759 -1.131 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.891 -14.384 -3.186 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.292 -14.779 -2.512 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.981 -13.155 -2.275 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.861 -14.118 -1.687 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.019 -12.884 -0.719 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.692 -14.329 0.072 1.00 0.00 H new ATOM 80 N ILE A 5 2.548 -14.200 0.020 1.00 0.00 N ATOM 81 CA ILE A 5 1.225 -14.740 -0.050 1.00 0.00 C ATOM 82 C ILE A 5 0.703 -14.699 -1.446 1.00 0.00 C ATOM 83 O ILE A 5 0.192 -15.688 -1.968 1.00 0.00 O ATOM 84 CB ILE A 5 0.277 -14.143 0.948 1.00 0.00 C ATOM 85 CG1 ILE A 5 0.885 -14.172 2.361 1.00 0.00 C ATOM 86 CG2 ILE A 5 -1.001 -14.997 0.946 1.00 0.00 C ATOM 87 CD1 ILE A 5 1.643 -12.906 2.760 1.00 0.00 C ATOM 0 H ILE A 5 2.604 -13.196 0.190 1.00 0.00 H new ATOM 0 HA ILE A 5 1.300 -15.788 0.240 1.00 0.00 H new ATOM 0 HB ILE A 5 0.069 -13.107 0.680 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.085 -14.342 3.082 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.564 -15.022 2.432 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.713 -14.588 1.663 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.443 -14.987 -0.050 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.754 -16.022 1.223 1.00 0.00 H new ATOM 0 HD11 ILE A 5 2.035 -13.020 3.771 1.00 0.00 H new ATOM 0 HD12 ILE A 5 2.468 -12.742 2.067 1.00 0.00 H new ATOM 0 HD13 ILE A 5 0.967 -12.052 2.727 1.00 0.00 H new ATOM 99 N ALA A 6 0.792 -13.522 -2.091 1.00 0.00 N ATOM 100 CA ALA A 6 0.207 -13.360 -3.386 1.00 0.00 C ATOM 101 C ALA A 6 0.658 -12.112 -4.063 1.00 0.00 C ATOM 102 O ALA A 6 1.187 -11.193 -3.438 1.00 0.00 O ATOM 103 CB ALA A 6 -1.324 -13.306 -3.244 1.00 0.00 C ATOM 0 H ALA A 6 1.261 -12.694 -1.723 1.00 0.00 H new ATOM 0 HA ALA A 6 0.523 -14.208 -3.993 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -1.777 -13.183 -4.228 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -1.681 -14.233 -2.794 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -1.601 -12.464 -2.609 1.00 0.00 H new ATOM 109 N THR A 7 0.393 -12.034 -5.380 1.00 0.00 N ATOM 110 CA THR A 7 0.451 -10.853 -6.185 1.00 0.00 C ATOM 111 C THR A 7 -0.935 -10.428 -6.531 1.00 0.00 C ATOM 112 O THR A 7 -1.861 -11.234 -6.463 1.00 0.00 O ATOM 113 CB THR A 7 1.256 -11.046 -7.435 1.00 0.00 C ATOM 114 OG1 THR A 7 0.790 -12.121 -8.237 1.00 0.00 O ATOM 115 CG2 THR A 7 2.692 -11.427 -7.036 1.00 0.00 C ATOM 0 H THR A 7 0.119 -12.855 -5.919 1.00 0.00 H new ATOM 0 HA THR A 7 0.952 -10.079 -5.603 1.00 0.00 H new ATOM 0 HB THR A 7 1.183 -10.115 -7.997 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.350 -12.199 -9.037 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.293 -11.572 -7.934 1.00 0.00 H new ATOM 0 HG22 THR A 7 3.126 -10.629 -6.433 1.00 0.00 H new ATOM 0 HG23 THR A 7 2.676 -12.351 -6.458 1.00 0.00 H new ATOM 123 N LYS A 8 -1.150 -9.157 -6.914 1.00 0.00 N ATOM 124 CA LYS A 8 -2.422 -8.563 -7.190 1.00 0.00 C ATOM 125 C LYS A 8 -3.495 -8.775 -6.176 1.00 0.00 C ATOM 126 O LYS A 8 -4.512 -9.437 -6.380 1.00 0.00 O ATOM 127 CB LYS A 8 -2.773 -8.939 -8.640 1.00 0.00 C ATOM 128 CG LYS A 8 -3.696 -7.919 -9.309 1.00 0.00 C ATOM 129 CD LYS A 8 -3.041 -6.606 -9.745 1.00 0.00 C ATOM 130 CE LYS A 8 -3.902 -5.835 -10.747 1.00 0.00 C ATOM 131 NZ LYS A 8 -3.303 -4.530 -11.102 1.00 0.00 N ATOM 0 H LYS A 8 -0.381 -8.499 -7.039 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.343 -7.480 -7.096 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.855 -9.027 -9.220 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.252 -9.918 -8.651 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.146 -8.386 -10.185 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -4.507 -7.686 -8.620 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.861 -5.983 -8.869 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.069 -6.817 -10.191 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.031 -6.432 -11.650 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.895 -5.676 -10.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.293 -4.422 -12.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.865 -3.764 -10.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.329 -4.485 -10.740 1.00 0.00 H new ATOM 145 N VAL A 9 -3.258 -8.195 -4.987 1.00 0.00 N ATOM 146 CA VAL A 9 -4.021 -8.308 -3.782 1.00 0.00 C ATOM 147 C VAL A 9 -4.650 -6.986 -3.505 1.00 0.00 C ATOM 148 O VAL A 9 -4.073 -5.946 -3.818 1.00 0.00 O ATOM 149 CB VAL A 9 -3.108 -8.698 -2.656 1.00 0.00 C ATOM 150 CG1 VAL A 9 -3.845 -8.788 -1.309 1.00 0.00 C ATOM 151 CG2 VAL A 9 -2.473 -10.063 -2.966 1.00 0.00 C ATOM 0 H VAL A 9 -2.450 -7.586 -4.858 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.795 -9.068 -3.883 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.347 -7.923 -2.570 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.141 -9.073 -0.527 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.282 -7.819 -1.068 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.635 -9.536 -1.376 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.809 -10.349 -2.150 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.257 -10.812 -3.076 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.902 -9.997 -3.892 1.00 0.00 H new ATOM 161 N LEU A 10 -5.815 -6.973 -2.833 1.00 0.00 N ATOM 162 CA LEU A 10 -6.476 -5.771 -2.429 1.00 0.00 C ATOM 163 C LEU A 10 -6.383 -5.603 -0.951 1.00 0.00 C ATOM 164 O LEU A 10 -6.203 -6.533 -0.165 1.00 0.00 O ATOM 165 CB LEU A 10 -7.959 -5.770 -2.835 1.00 0.00 C ATOM 166 CG LEU A 10 -8.258 -5.244 -4.249 1.00 0.00 C ATOM 167 CD1 LEU A 10 -7.819 -3.778 -4.402 1.00 0.00 C ATOM 168 CD2 LEU A 10 -7.636 -6.107 -5.361 1.00 0.00 C ATOM 0 H LEU A 10 -6.311 -7.822 -2.563 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.976 -4.945 -2.935 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.340 -6.788 -2.757 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -8.514 -5.166 -2.117 1.00 0.00 H new ATOM 0 HG LEU A 10 -9.340 -5.306 -4.368 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.043 -3.435 -5.412 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -8.355 -3.161 -3.681 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.747 -3.698 -4.221 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.884 -5.682 -6.333 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.553 -6.130 -5.241 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.030 -7.121 -5.297 1.00 0.00 H new ATOM 180 N GLY A 11 -6.514 -4.346 -0.492 1.00 0.00 N ATOM 181 CA GLY A 11 -6.582 -3.989 0.891 1.00 0.00 C ATOM 182 C GLY A 11 -6.988 -2.561 1.020 1.00 0.00 C ATOM 183 O GLY A 11 -7.164 -1.867 0.020 1.00 0.00 O ATOM 0 H GLY A 11 -6.575 -3.540 -1.115 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -7.298 -4.629 1.407 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.613 -4.146 1.366 1.00 0.00 H new ATOM 187 N THR A 12 -7.109 -2.088 2.273 1.00 0.00 N ATOM 188 CA THR A 12 -7.689 -0.820 2.590 1.00 0.00 C ATOM 189 C THR A 12 -6.657 0.095 3.154 1.00 0.00 C ATOM 190 O THR A 12 -5.895 -0.301 4.034 1.00 0.00 O ATOM 191 CB THR A 12 -8.807 -0.920 3.585 1.00 0.00 C ATOM 192 OG1 THR A 12 -9.941 -1.537 2.993 1.00 0.00 O ATOM 193 CG2 THR A 12 -9.315 0.445 4.081 1.00 0.00 C ATOM 0 H THR A 12 -6.793 -2.605 3.093 1.00 0.00 H new ATOM 0 HA THR A 12 -8.092 -0.433 1.654 1.00 0.00 H new ATOM 0 HB THR A 12 -8.387 -1.489 4.415 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.663 -1.598 3.653 1.00 0.00 H new ATOM 0 HG21 THR A 12 -10.123 0.294 4.797 1.00 0.00 H new ATOM 0 HG22 THR A 12 -8.499 0.984 4.562 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.684 1.025 3.235 1.00 0.00 H new ATOM 201 N VAL A 13 -6.561 1.337 2.645 1.00 0.00 N ATOM 202 CA VAL A 13 -5.681 2.364 3.108 1.00 0.00 C ATOM 203 C VAL A 13 -6.390 3.302 4.021 1.00 0.00 C ATOM 204 O VAL A 13 -7.377 3.939 3.655 1.00 0.00 O ATOM 205 CB VAL A 13 -5.119 3.163 1.970 1.00 0.00 C ATOM 206 CG1 VAL A 13 -4.110 4.202 2.487 1.00 0.00 C ATOM 207 CG2 VAL A 13 -4.446 2.229 0.950 1.00 0.00 C ATOM 0 H VAL A 13 -7.136 1.642 1.859 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.871 1.862 3.638 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.936 3.691 1.479 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.713 4.772 1.647 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.608 4.878 3.182 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.293 3.693 2.999 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.041 2.819 0.128 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.638 1.682 1.436 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.181 1.523 0.563 1.00 0.00 H new ATOM 217 N LYS A 14 -5.902 3.470 5.264 1.00 0.00 N ATOM 218 CA LYS A 14 -6.411 4.420 6.204 1.00 0.00 C ATOM 219 C LYS A 14 -5.424 5.510 6.434 1.00 0.00 C ATOM 220 O LYS A 14 -5.717 6.684 6.207 1.00 0.00 O ATOM 221 CB LYS A 14 -6.730 3.704 7.529 1.00 0.00 C ATOM 222 CG LYS A 14 -7.418 4.582 8.576 1.00 0.00 C ATOM 223 CD LYS A 14 -7.728 3.794 9.850 1.00 0.00 C ATOM 224 CE LYS A 14 -8.658 4.512 10.831 1.00 0.00 C ATOM 225 NZ LYS A 14 -7.992 5.665 11.477 1.00 0.00 N ATOM 0 H LYS A 14 -5.122 2.922 5.628 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.321 4.865 5.803 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.367 2.845 7.319 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.802 3.317 7.951 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.778 5.431 8.818 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -8.342 4.987 8.163 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.180 2.842 9.572 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -6.791 3.566 10.358 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.548 4.855 10.303 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.992 3.810 11.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.654 6.125 12.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.157 5.334 12.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.696 6.347 10.750 1.00 0.00 H new ATOM 239 N TRP A 15 -4.214 5.165 6.911 1.00 0.00 N ATOM 240 CA TRP A 15 -3.247 6.066 7.455 1.00 0.00 C ATOM 241 C TRP A 15 -2.613 6.977 6.461 1.00 0.00 C ATOM 242 O TRP A 15 -2.964 8.151 6.364 1.00 0.00 O ATOM 243 CB TRP A 15 -2.217 5.258 8.265 1.00 0.00 C ATOM 244 CG TRP A 15 -1.174 6.050 9.016 1.00 0.00 C ATOM 245 CD1 TRP A 15 -1.308 7.222 9.704 1.00 0.00 C ATOM 246 CD2 TRP A 15 0.210 5.672 9.129 1.00 0.00 C ATOM 247 NE1 TRP A 15 -0.106 7.592 10.245 1.00 0.00 N ATOM 248 CE2 TRP A 15 0.841 6.657 9.898 1.00 0.00 C ATOM 249 CE3 TRP A 15 0.914 4.602 8.649 1.00 0.00 C ATOM 250 CZ2 TRP A 15 2.178 6.578 10.180 1.00 0.00 C ATOM 251 CZ3 TRP A 15 2.254 4.527 8.947 1.00 0.00 C ATOM 252 CH2 TRP A 15 2.876 5.494 9.703 1.00 0.00 C ATOM 0 H TRP A 15 -3.893 4.197 6.916 1.00 0.00 H new ATOM 0 HA TRP A 15 -3.776 6.754 8.115 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -2.757 4.640 8.982 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -1.704 4.580 7.583 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -2.229 7.777 9.807 1.00 0.00 H new ATOM 0 HE1 TRP A 15 0.060 8.424 10.812 1.00 0.00 H new ATOM 0 HE3 TRP A 15 0.432 3.840 8.054 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 2.670 7.345 10.760 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 2.831 3.691 8.580 1.00 0.00 H new ATOM 0 HH2 TRP A 15 3.929 5.400 9.925 1.00 0.00 H new ATOM 263 N PHE A 16 -1.629 6.453 5.708 1.00 0.00 N ATOM 264 CA PHE A 16 -0.834 7.117 4.721 1.00 0.00 C ATOM 265 C PHE A 16 0.202 8.013 5.306 1.00 0.00 C ATOM 266 O PHE A 16 -0.086 9.022 5.946 1.00 0.00 O ATOM 267 CB PHE A 16 -1.680 7.804 3.635 1.00 0.00 C ATOM 268 CG PHE A 16 -0.965 7.920 2.333 1.00 0.00 C ATOM 269 CD1 PHE A 16 -0.052 8.923 2.103 1.00 0.00 C ATOM 270 CD2 PHE A 16 -1.205 6.997 1.343 1.00 0.00 C ATOM 271 CE1 PHE A 16 0.612 9.002 0.902 1.00 0.00 C ATOM 272 CE2 PHE A 16 -0.541 7.064 0.140 1.00 0.00 C ATOM 273 CZ PHE A 16 0.368 8.072 -0.082 1.00 0.00 C ATOM 0 H PHE A 16 -1.367 5.472 5.801 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.280 6.328 4.212 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.602 7.241 3.489 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -1.965 8.799 3.978 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.145 9.655 2.873 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.924 6.209 1.512 1.00 0.00 H new ATOM 0 HE1 PHE A 16 1.326 9.794 0.731 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.733 6.328 -0.627 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.889 8.133 -1.026 1.00 0.00 H new ATOM 283 N ASN A 17 1.492 7.687 5.106 1.00 0.00 N ATOM 284 CA ASN A 17 2.609 8.377 5.674 1.00 0.00 C ATOM 285 C ASN A 17 3.356 9.096 4.604 1.00 0.00 C ATOM 286 O ASN A 17 3.810 8.488 3.636 1.00 0.00 O ATOM 287 CB ASN A 17 3.513 7.350 6.376 1.00 0.00 C ATOM 288 CG ASN A 17 4.718 7.925 7.106 1.00 0.00 C ATOM 289 OD1 ASN A 17 5.075 9.102 7.086 1.00 0.00 O ATOM 290 ND2 ASN A 17 5.464 7.005 7.776 1.00 0.00 N ATOM 0 H ASN A 17 1.770 6.901 4.518 1.00 0.00 H new ATOM 0 HA ASN A 17 2.269 9.114 6.401 1.00 0.00 H new ATOM 0 HB2 ASN A 17 2.910 6.791 7.092 1.00 0.00 H new ATOM 0 HB3 ASN A 17 3.868 6.637 5.632 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.315 7.293 8.259 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.172 6.028 7.795 1.00 0.00 H new ATOM 297 N VAL A 18 3.558 10.419 4.740 1.00 0.00 N ATOM 298 CA VAL A 18 4.410 11.157 3.860 1.00 0.00 C ATOM 299 C VAL A 18 5.670 11.550 4.551 1.00 0.00 C ATOM 300 O VAL A 18 6.759 11.371 4.009 1.00 0.00 O ATOM 301 CB VAL A 18 3.747 12.375 3.288 1.00 0.00 C ATOM 302 CG1 VAL A 18 4.623 13.002 2.191 1.00 0.00 C ATOM 303 CG2 VAL A 18 2.389 11.986 2.679 1.00 0.00 C ATOM 0 H VAL A 18 3.124 10.984 5.470 1.00 0.00 H new ATOM 0 HA VAL A 18 4.639 10.490 3.029 1.00 0.00 H new ATOM 0 HB VAL A 18 3.605 13.099 4.090 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.126 13.884 1.788 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.586 13.290 2.614 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.780 12.277 1.392 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.909 12.872 2.264 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.542 11.252 1.888 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.752 11.558 3.453 1.00 0.00 H new ATOM 313 N ARG A 19 5.578 12.102 5.774 1.00 0.00 N ATOM 314 CA ARG A 19 6.690 12.739 6.411 1.00 0.00 C ATOM 315 C ARG A 19 7.850 11.860 6.727 1.00 0.00 C ATOM 316 O ARG A 19 8.993 12.313 6.667 1.00 0.00 O ATOM 317 CB ARG A 19 6.260 13.617 7.598 1.00 0.00 C ATOM 318 CG ARG A 19 5.753 12.920 8.864 1.00 0.00 C ATOM 319 CD ARG A 19 5.291 13.943 9.903 1.00 0.00 C ATOM 320 NE ARG A 19 4.960 13.223 11.164 1.00 0.00 N ATOM 321 CZ ARG A 19 4.611 13.882 12.308 1.00 0.00 C ATOM 322 NH1 ARG A 19 4.505 15.241 12.382 1.00 0.00 N ATOM 323 NH2 ARG A 19 4.339 13.197 13.457 1.00 0.00 N ATOM 0 H ARG A 19 4.722 12.107 6.328 1.00 0.00 H new ATOM 0 HA ARG A 19 7.086 13.402 5.642 1.00 0.00 H new ATOM 0 HB2 ARG A 19 7.110 14.239 7.878 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.475 14.288 7.249 1.00 0.00 H new ATOM 0 HG2 ARG A 19 4.928 12.254 8.612 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.545 12.301 9.285 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.074 14.680 10.082 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.420 14.486 9.538 1.00 0.00 H new ATOM 0 HE ARG A 19 4.995 12.204 11.173 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.690 15.813 11.558 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.241 15.685 13.262 1.00 0.00 H new ATOM 0 HH21 ARG A 19 4.395 12.179 13.469 1.00 0.00 H new ATOM 0 HH22 ARG A 19 4.080 13.704 14.303 1.00 0.00 H new ATOM 337 N ASN A 20 7.625 10.565 7.008 1.00 0.00 N ATOM 338 CA ASN A 20 8.667 9.587 7.038 1.00 0.00 C ATOM 339 C ASN A 20 8.600 8.669 5.866 1.00 0.00 C ATOM 340 O ASN A 20 9.608 8.095 5.457 1.00 0.00 O ATOM 341 CB ASN A 20 8.642 8.857 8.392 1.00 0.00 C ATOM 342 CG ASN A 20 9.957 8.152 8.694 1.00 0.00 C ATOM 343 OD1 ASN A 20 11.036 8.613 8.326 1.00 0.00 O ATOM 344 ND2 ASN A 20 9.877 6.989 9.396 1.00 0.00 N ATOM 0 H ASN A 20 6.700 10.189 7.219 1.00 0.00 H new ATOM 0 HA ASN A 20 9.633 10.084 6.949 1.00 0.00 H new ATOM 0 HB2 ASN A 20 8.426 9.574 9.184 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.833 8.127 8.394 1.00 0.00 H new ATOM 0 HD21 ASN A 20 10.726 6.475 9.630 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.968 6.631 9.688 1.00 0.00 H new ATOM 351 N GLY A 21 7.430 8.461 5.235 1.00 0.00 N ATOM 352 CA GLY A 21 7.336 7.756 3.994 1.00 0.00 C ATOM 353 C GLY A 21 6.784 6.378 4.114 1.00 0.00 C ATOM 354 O GLY A 21 6.005 5.943 3.268 1.00 0.00 O ATOM 0 H GLY A 21 6.533 8.788 5.593 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.708 8.328 3.311 1.00 0.00 H new ATOM 0 HA3 GLY A 21 8.328 7.700 3.545 1.00 0.00 H new ATOM 358 N TYR A 22 7.225 5.604 5.122 1.00 0.00 N ATOM 359 CA TYR A 22 6.878 4.228 5.307 1.00 0.00 C ATOM 360 C TYR A 22 5.498 4.047 5.840 1.00 0.00 C ATOM 361 O TYR A 22 5.233 4.286 7.017 1.00 0.00 O ATOM 362 CB TYR A 22 7.865 3.531 6.259 1.00 0.00 C ATOM 363 CG TYR A 22 9.283 3.682 5.828 1.00 0.00 C ATOM 364 CD1 TYR A 22 9.825 2.855 4.872 1.00 0.00 C ATOM 365 CD2 TYR A 22 10.085 4.612 6.448 1.00 0.00 C ATOM 366 CE1 TYR A 22 11.160 2.943 4.553 1.00 0.00 C ATOM 367 CE2 TYR A 22 11.419 4.709 6.133 1.00 0.00 C ATOM 368 CZ TYR A 22 11.957 3.867 5.188 1.00 0.00 C ATOM 369 OH TYR A 22 13.337 3.922 4.900 1.00 0.00 O ATOM 0 H TYR A 22 7.855 5.955 5.844 1.00 0.00 H new ATOM 0 HA TYR A 22 6.927 3.776 4.317 1.00 0.00 H new ATOM 0 HB2 TYR A 22 7.748 3.942 7.262 1.00 0.00 H new ATOM 0 HB3 TYR A 22 7.619 2.471 6.319 1.00 0.00 H new ATOM 0 HD1 TYR A 22 9.199 2.133 4.369 1.00 0.00 H new ATOM 0 HD2 TYR A 22 9.662 5.273 7.190 1.00 0.00 H new ATOM 0 HE1 TYR A 22 11.582 2.288 3.805 1.00 0.00 H new ATOM 0 HE2 TYR A 22 12.041 5.442 6.625 1.00 0.00 H new ATOM 0 HH TYR A 22 13.754 4.631 5.433 1.00 0.00 H new ATOM 379 N GLY A 23 4.554 3.610 4.988 1.00 0.00 N ATOM 380 CA GLY A 23 3.169 3.458 5.311 1.00 0.00 C ATOM 381 C GLY A 23 2.803 2.022 5.465 1.00 0.00 C ATOM 382 O GLY A 23 3.614 1.128 5.226 1.00 0.00 O ATOM 0 H GLY A 23 4.768 3.350 4.025 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.948 3.993 6.235 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.559 3.909 4.528 1.00 0.00 H new ATOM 386 N PHE A 24 1.548 1.741 5.862 1.00 0.00 N ATOM 387 CA PHE A 24 1.052 0.399 5.873 1.00 0.00 C ATOM 388 C PHE A 24 -0.383 0.294 5.482 1.00 0.00 C ATOM 389 O PHE A 24 -1.218 1.154 5.759 1.00 0.00 O ATOM 390 CB PHE A 24 1.375 -0.400 7.145 1.00 0.00 C ATOM 391 CG PHE A 24 0.777 0.144 8.398 1.00 0.00 C ATOM 392 CD1 PHE A 24 -0.493 -0.220 8.776 1.00 0.00 C ATOM 393 CD2 PHE A 24 1.510 0.967 9.220 1.00 0.00 C ATOM 394 CE1 PHE A 24 -1.034 0.245 9.950 1.00 0.00 C ATOM 395 CE2 PHE A 24 0.981 1.434 10.401 1.00 0.00 C ATOM 396 CZ PHE A 24 -0.295 1.072 10.764 1.00 0.00 C ATOM 0 H PHE A 24 0.877 2.443 6.175 1.00 0.00 H new ATOM 0 HA PHE A 24 1.624 -0.091 5.086 1.00 0.00 H new ATOM 0 HB2 PHE A 24 1.029 -1.425 7.010 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.458 -0.442 7.265 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.071 -0.878 8.144 1.00 0.00 H new ATOM 0 HD2 PHE A 24 2.513 1.250 8.935 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.037 -0.038 10.233 1.00 0.00 H new ATOM 0 HE2 PHE A 24 1.564 2.081 11.039 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.717 1.437 11.689 1.00 0.00 H new ATOM 406 N ILE A 25 -0.726 -0.810 4.795 1.00 0.00 N ATOM 407 CA ILE A 25 -2.036 -1.093 4.296 1.00 0.00 C ATOM 408 C ILE A 25 -2.641 -2.181 5.114 1.00 0.00 C ATOM 409 O ILE A 25 -1.941 -3.078 5.582 1.00 0.00 O ATOM 410 CB ILE A 25 -2.027 -1.525 2.860 1.00 0.00 C ATOM 411 CG1 ILE A 25 -1.006 -0.703 2.055 1.00 0.00 C ATOM 412 CG2 ILE A 25 -3.427 -1.357 2.247 1.00 0.00 C ATOM 413 CD1 ILE A 25 -0.940 -0.996 0.557 1.00 0.00 C ATOM 0 H ILE A 25 -0.053 -1.544 4.576 1.00 0.00 H new ATOM 0 HA ILE A 25 -2.615 -0.172 4.363 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.742 -2.576 2.820 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.235 0.354 2.188 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.017 -0.871 2.482 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.408 -1.674 1.204 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -4.142 -1.968 2.799 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.725 -0.310 2.303 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.187 -0.358 0.094 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.675 -2.042 0.402 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.911 -0.797 0.104 1.00 0.00 H new ATOM 425 N ASN A 26 -3.973 -2.174 5.298 1.00 0.00 N ATOM 426 CA ASN A 26 -4.686 -3.233 5.943 1.00 0.00 C ATOM 427 C ASN A 26 -5.185 -4.182 4.907 1.00 0.00 C ATOM 428 O ASN A 26 -6.285 -4.062 4.372 1.00 0.00 O ATOM 429 CB ASN A 26 -5.814 -2.660 6.819 1.00 0.00 C ATOM 430 CG ASN A 26 -6.347 -3.640 7.855 1.00 0.00 C ATOM 431 OD1 ASN A 26 -5.632 -4.490 8.386 1.00 0.00 O ATOM 432 ND2 ASN A 26 -7.654 -3.508 8.203 1.00 0.00 N ATOM 0 H ASN A 26 -4.572 -1.409 4.989 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.026 -3.785 6.612 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.448 -1.770 7.330 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -6.635 -2.343 6.176 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.057 -4.118 8.914 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -8.232 -2.798 7.753 1.00 0.00 H new ATOM 439 N ARG A 27 -4.362 -5.178 4.533 1.00 0.00 N ATOM 440 CA ARG A 27 -4.725 -6.262 3.673 1.00 0.00 C ATOM 441 C ARG A 27 -5.737 -7.194 4.246 1.00 0.00 C ATOM 442 O ARG A 27 -5.505 -7.922 5.210 1.00 0.00 O ATOM 443 CB ARG A 27 -3.430 -7.020 3.333 1.00 0.00 C ATOM 444 CG ARG A 27 -3.592 -8.134 2.298 1.00 0.00 C ATOM 445 CD ARG A 27 -3.394 -9.560 2.812 1.00 0.00 C ATOM 446 NE ARG A 27 -3.838 -10.458 1.709 1.00 0.00 N ATOM 447 CZ ARG A 27 -3.512 -11.779 1.600 1.00 0.00 C ATOM 448 NH1 ARG A 27 -2.774 -12.450 2.532 1.00 0.00 N ATOM 449 NH2 ARG A 27 -4.028 -12.496 0.560 1.00 0.00 N ATOM 0 H ARG A 27 -3.393 -5.230 4.847 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.207 -5.845 2.788 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.693 -6.306 2.965 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.026 -7.451 4.249 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.590 -8.060 1.867 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.882 -7.958 1.490 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -2.350 -9.742 3.067 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.978 -9.734 3.716 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.429 -10.056 0.982 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -2.436 -11.963 3.362 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -2.560 -13.438 2.398 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.643 -12.043 -0.116 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -3.798 -13.485 0.458 1.00 0.00 H new ATOM 463 N ASN A 28 -6.945 -7.210 3.654 1.00 0.00 N ATOM 464 CA ASN A 28 -8.149 -7.695 4.252 1.00 0.00 C ATOM 465 C ASN A 28 -8.425 -9.156 4.152 1.00 0.00 C ATOM 466 O ASN A 28 -9.575 -9.583 4.253 1.00 0.00 O ATOM 467 CB ASN A 28 -9.332 -6.837 3.773 1.00 0.00 C ATOM 468 CG ASN A 28 -9.498 -6.818 2.261 1.00 0.00 C ATOM 469 OD1 ASN A 28 -8.890 -7.586 1.516 1.00 0.00 O ATOM 470 ND2 ASN A 28 -10.342 -5.874 1.767 1.00 0.00 N ATOM 0 H ASN A 28 -7.088 -6.865 2.705 1.00 0.00 H new ATOM 0 HA ASN A 28 -7.998 -7.583 5.326 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -10.249 -7.213 4.226 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.196 -5.815 4.128 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -10.482 -5.792 0.760 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -10.836 -5.248 2.403 1.00 0.00 H new ATOM 477 N ASP A 29 -7.393 -10.005 4.012 1.00 0.00 N ATOM 478 CA ASP A 29 -7.500 -11.428 4.107 1.00 0.00 C ATOM 479 C ASP A 29 -7.696 -11.866 5.518 1.00 0.00 C ATOM 480 O ASP A 29 -8.618 -12.622 5.816 1.00 0.00 O ATOM 481 CB ASP A 29 -6.238 -12.065 3.500 1.00 0.00 C ATOM 482 CG ASP A 29 -6.292 -13.584 3.431 1.00 0.00 C ATOM 483 OD1 ASP A 29 -7.153 -14.138 2.696 1.00 0.00 O ATOM 484 OD2 ASP A 29 -5.436 -14.251 4.071 1.00 0.00 O ATOM 0 H ASP A 29 -6.442 -9.687 3.824 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.377 -11.758 3.549 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.090 -11.670 2.495 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.372 -11.768 4.091 1.00 0.00 H new ATOM 489 N THR A 30 -6.845 -11.407 6.454 1.00 0.00 N ATOM 490 CA THR A 30 -7.078 -11.706 7.832 1.00 0.00 C ATOM 491 C THR A 30 -6.599 -10.522 8.600 1.00 0.00 C ATOM 492 O THR A 30 -6.270 -10.570 9.785 1.00 0.00 O ATOM 493 CB THR A 30 -6.490 -13.026 8.234 1.00 0.00 C ATOM 494 OG1 THR A 30 -6.995 -13.495 9.476 1.00 0.00 O ATOM 495 CG2 THR A 30 -4.953 -13.016 8.288 1.00 0.00 C ATOM 0 H THR A 30 -6.016 -10.843 6.264 1.00 0.00 H new ATOM 0 HA THR A 30 -8.135 -11.855 8.050 1.00 0.00 H new ATOM 0 HB THR A 30 -6.800 -13.711 7.445 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.001 -12.761 10.125 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.593 -14.001 8.585 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.556 -12.766 7.304 1.00 0.00 H new ATOM 0 HG23 THR A 30 -4.619 -12.274 9.013 1.00 0.00 H new ATOM 503 N LYS A 31 -6.584 -9.362 7.918 1.00 0.00 N ATOM 504 CA LYS A 31 -6.163 -8.080 8.390 1.00 0.00 C ATOM 505 C LYS A 31 -4.696 -8.060 8.657 1.00 0.00 C ATOM 506 O LYS A 31 -4.232 -8.013 9.794 1.00 0.00 O ATOM 507 CB LYS A 31 -6.998 -7.561 9.571 1.00 0.00 C ATOM 508 CG LYS A 31 -8.454 -7.215 9.247 1.00 0.00 C ATOM 509 CD LYS A 31 -9.456 -8.371 9.291 1.00 0.00 C ATOM 510 CE LYS A 31 -9.656 -9.055 10.646 1.00 0.00 C ATOM 511 NZ LYS A 31 -10.099 -8.102 11.689 1.00 0.00 N ATOM 0 H LYS A 31 -6.896 -9.321 6.948 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.353 -7.369 7.586 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.988 -8.314 10.359 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.513 -6.672 9.974 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.786 -6.448 9.947 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.486 -6.773 8.251 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -10.422 -7.997 8.952 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.137 -9.126 8.572 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -10.394 -9.851 10.545 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.722 -9.524 10.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.255 -8.612 12.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.368 -7.376 11.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.986 -7.648 11.390 1.00 0.00 H new ATOM 525 N GLU A 32 -3.887 -7.982 7.584 1.00 0.00 N ATOM 526 CA GLU A 32 -2.465 -8.038 7.708 1.00 0.00 C ATOM 527 C GLU A 32 -1.889 -6.698 7.404 1.00 0.00 C ATOM 528 O GLU A 32 -2.280 -6.038 6.443 1.00 0.00 O ATOM 529 CB GLU A 32 -1.962 -9.065 6.679 1.00 0.00 C ATOM 530 CG GLU A 32 -2.276 -10.506 7.084 1.00 0.00 C ATOM 531 CD GLU A 32 -1.620 -11.455 6.091 1.00 0.00 C ATOM 532 OE1 GLU A 32 -0.418 -11.769 6.304 1.00 0.00 O ATOM 533 OE2 GLU A 32 -2.277 -11.860 5.095 1.00 0.00 O ATOM 0 H GLU A 32 -4.222 -7.880 6.626 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.169 -8.323 8.717 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.417 -8.856 5.711 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.885 -8.953 6.556 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.909 -10.702 8.091 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.354 -10.666 7.101 1.00 0.00 H new ATOM 540 N ASP A 33 -0.962 -6.203 8.245 1.00 0.00 N ATOM 541 CA ASP A 33 -0.316 -4.939 8.074 1.00 0.00 C ATOM 542 C ASP A 33 0.809 -5.068 7.106 1.00 0.00 C ATOM 543 O ASP A 33 1.841 -5.694 7.344 1.00 0.00 O ATOM 544 CB ASP A 33 0.054 -4.255 9.401 1.00 0.00 C ATOM 545 CG ASP A 33 0.849 -5.030 10.442 1.00 0.00 C ATOM 546 OD1 ASP A 33 0.947 -6.286 10.424 1.00 0.00 O ATOM 547 OD2 ASP A 33 1.325 -4.330 11.374 1.00 0.00 O ATOM 0 H ASP A 33 -0.651 -6.704 9.077 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.033 -4.245 7.635 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.620 -3.356 9.159 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.874 -3.930 9.872 1.00 0.00 H new ATOM 552 N VAL A 34 0.635 -4.455 5.921 1.00 0.00 N ATOM 553 CA VAL A 34 1.541 -4.628 4.829 1.00 0.00 C ATOM 554 C VAL A 34 2.310 -3.364 4.657 1.00 0.00 C ATOM 555 O VAL A 34 1.740 -2.328 4.320 1.00 0.00 O ATOM 556 CB VAL A 34 0.805 -4.960 3.564 1.00 0.00 C ATOM 557 CG1 VAL A 34 1.811 -5.331 2.461 1.00 0.00 C ATOM 558 CG2 VAL A 34 -0.107 -6.176 3.798 1.00 0.00 C ATOM 0 H VAL A 34 -0.146 -3.831 5.718 1.00 0.00 H new ATOM 0 HA VAL A 34 2.215 -5.457 5.044 1.00 0.00 H new ATOM 0 HB VAL A 34 0.215 -4.093 3.267 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.273 -5.572 1.544 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.479 -4.489 2.280 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.395 -6.196 2.777 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.640 -6.414 2.877 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.498 -7.032 4.099 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.826 -5.946 4.584 1.00 0.00 H new ATOM 568 N PHE A 35 3.628 -3.394 4.926 1.00 0.00 N ATOM 569 CA PHE A 35 4.456 -2.228 4.953 1.00 0.00 C ATOM 570 C PHE A 35 4.974 -1.841 3.610 1.00 0.00 C ATOM 571 O PHE A 35 5.446 -2.670 2.833 1.00 0.00 O ATOM 572 CB PHE A 35 5.650 -2.414 5.905 1.00 0.00 C ATOM 573 CG PHE A 35 5.191 -2.139 7.296 1.00 0.00 C ATOM 574 CD1 PHE A 35 4.479 -3.081 8.001 1.00 0.00 C ATOM 575 CD2 PHE A 35 5.418 -0.909 7.867 1.00 0.00 C ATOM 576 CE1 PHE A 35 3.978 -2.790 9.248 1.00 0.00 C ATOM 577 CE2 PHE A 35 4.936 -0.617 9.122 1.00 0.00 C ATOM 578 CZ PHE A 35 4.215 -1.561 9.816 1.00 0.00 C ATOM 0 H PHE A 35 4.133 -4.256 5.131 1.00 0.00 H new ATOM 0 HA PHE A 35 3.810 -1.426 5.310 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.041 -3.428 5.829 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.461 -1.738 5.633 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.312 -4.058 7.571 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.981 -0.164 7.324 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.398 -3.528 9.782 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.123 0.352 9.562 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.837 -1.337 10.803 1.00 0.00 H new ATOM 588 N VAL A 36 4.793 -0.556 3.257 1.00 0.00 N ATOM 589 CA VAL A 36 4.998 -0.030 1.944 1.00 0.00 C ATOM 590 C VAL A 36 5.906 1.151 1.992 1.00 0.00 C ATOM 591 O VAL A 36 5.618 2.148 2.651 1.00 0.00 O ATOM 592 CB VAL A 36 3.722 0.375 1.268 1.00 0.00 C ATOM 593 CG1 VAL A 36 3.956 0.526 -0.244 1.00 0.00 C ATOM 594 CG2 VAL A 36 2.630 -0.676 1.536 1.00 0.00 C ATOM 0 H VAL A 36 4.487 0.153 3.924 1.00 0.00 H new ATOM 0 HA VAL A 36 5.445 -0.837 1.363 1.00 0.00 H new ATOM 0 HB VAL A 36 3.393 1.333 1.670 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.025 0.820 -0.729 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.714 1.289 -0.420 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.295 -0.424 -0.656 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.706 -0.375 1.042 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.952 -1.642 1.147 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.458 -0.756 2.609 1.00 0.00 H new ATOM 604 N HIS A 37 7.025 1.108 1.247 1.00 0.00 N ATOM 605 CA HIS A 37 7.881 2.239 1.065 1.00 0.00 C ATOM 606 C HIS A 37 7.534 3.010 -0.162 1.00 0.00 C ATOM 607 O HIS A 37 6.903 2.499 -1.086 1.00 0.00 O ATOM 608 CB HIS A 37 9.380 1.898 1.037 1.00 0.00 C ATOM 609 CG HIS A 37 9.911 1.070 -0.096 1.00 0.00 C ATOM 610 ND1 HIS A 37 11.262 0.896 -0.321 1.00 0.00 N ATOM 611 CD2 HIS A 37 9.293 0.296 -1.028 1.00 0.00 C ATOM 612 CE1 HIS A 37 11.371 0.017 -1.353 1.00 0.00 C ATOM 613 NE2 HIS A 37 10.201 -0.377 -1.819 1.00 0.00 N ATOM 0 H HIS A 37 7.342 0.269 0.761 1.00 0.00 H new ATOM 0 HA HIS A 37 7.703 2.852 1.949 1.00 0.00 H new ATOM 0 HB2 HIS A 37 9.933 2.837 1.047 1.00 0.00 H new ATOM 0 HB3 HIS A 37 9.618 1.379 1.965 1.00 0.00 H new ATOM 0 HD2 HIS A 37 8.221 0.218 -1.136 1.00 0.00 H new ATOM 0 HE1 HIS A 37 12.316 -0.323 -1.750 1.00 0.00 H new ATOM 0 HE2 HIS A 37 10.013 -1.026 -2.583 1.00 0.00 H new ATOM 621 N GLN A 38 7.975 4.278 -0.244 1.00 0.00 N ATOM 622 CA GLN A 38 7.647 5.161 -1.321 1.00 0.00 C ATOM 623 C GLN A 38 8.078 4.717 -2.676 1.00 0.00 C ATOM 624 O GLN A 38 7.418 5.006 -3.674 1.00 0.00 O ATOM 625 CB GLN A 38 8.173 6.579 -1.041 1.00 0.00 C ATOM 626 CG GLN A 38 7.629 7.189 0.252 1.00 0.00 C ATOM 627 CD GLN A 38 7.981 8.664 0.381 1.00 0.00 C ATOM 628 OE1 GLN A 38 8.991 9.061 0.960 1.00 0.00 O ATOM 629 NE2 GLN A 38 7.089 9.535 -0.164 1.00 0.00 N ATOM 0 H GLN A 38 8.578 4.702 0.460 1.00 0.00 H new ATOM 0 HA GLN A 38 6.557 5.153 -1.353 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.261 6.550 -0.990 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.910 7.227 -1.877 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.546 7.071 0.280 1.00 0.00 H new ATOM 0 HG3 GLN A 38 8.031 6.645 1.106 1.00 0.00 H new ATOM 0 HE21 GLN A 38 6.258 9.183 -0.640 1.00 0.00 H new ATOM 0 HE22 GLN A 38 7.251 10.540 -0.097 1.00 0.00 H new ATOM 638 N THR A 39 9.174 3.946 -2.779 1.00 0.00 N ATOM 639 CA THR A 39 9.672 3.354 -3.983 1.00 0.00 C ATOM 640 C THR A 39 8.722 2.391 -4.608 1.00 0.00 C ATOM 641 O THR A 39 8.638 2.295 -5.832 1.00 0.00 O ATOM 642 CB THR A 39 10.973 2.631 -3.799 1.00 0.00 C ATOM 643 OG1 THR A 39 11.914 3.423 -3.089 1.00 0.00 O ATOM 644 CG2 THR A 39 11.658 2.301 -5.136 1.00 0.00 C ATOM 0 H THR A 39 9.750 3.721 -1.968 1.00 0.00 H new ATOM 0 HA THR A 39 9.814 4.214 -4.638 1.00 0.00 H new ATOM 0 HB THR A 39 10.708 1.723 -3.258 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.750 2.923 -2.984 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.595 1.778 -4.945 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.003 1.666 -5.733 1.00 0.00 H new ATOM 0 HG23 THR A 39 11.862 3.224 -5.678 1.00 0.00 H new ATOM 652 N ALA A 40 7.922 1.655 -3.815 1.00 0.00 N ATOM 653 CA ALA A 40 6.971 0.721 -4.331 1.00 0.00 C ATOM 654 C ALA A 40 5.759 1.348 -4.931 1.00 0.00 C ATOM 655 O ALA A 40 5.018 0.730 -5.693 1.00 0.00 O ATOM 656 CB ALA A 40 6.528 -0.264 -3.235 1.00 0.00 C ATOM 0 H ALA A 40 7.936 1.710 -2.797 1.00 0.00 H new ATOM 0 HA ALA A 40 7.493 0.201 -5.135 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.804 -0.966 -3.648 1.00 0.00 H new ATOM 0 HB2 ALA A 40 7.395 -0.812 -2.866 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.070 0.287 -2.414 1.00 0.00 H new ATOM 662 N ILE A 41 5.516 2.634 -4.617 1.00 0.00 N ATOM 663 CA ILE A 41 4.383 3.390 -5.053 1.00 0.00 C ATOM 664 C ILE A 41 4.669 4.039 -6.363 1.00 0.00 C ATOM 665 O ILE A 41 5.517 4.921 -6.488 1.00 0.00 O ATOM 666 CB ILE A 41 3.991 4.374 -3.990 1.00 0.00 C ATOM 667 CG1 ILE A 41 3.647 3.632 -2.689 1.00 0.00 C ATOM 668 CG2 ILE A 41 2.814 5.244 -4.464 1.00 0.00 C ATOM 669 CD1 ILE A 41 3.307 4.543 -1.510 1.00 0.00 C ATOM 0 H ILE A 41 6.146 3.176 -4.026 1.00 0.00 H new ATOM 0 HA ILE A 41 3.532 2.728 -5.211 1.00 0.00 H new ATOM 0 HB ILE A 41 4.833 5.037 -3.793 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.801 2.970 -2.876 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.491 3.000 -2.412 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.545 5.951 -3.679 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.104 5.791 -5.361 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.958 4.607 -4.688 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.078 3.935 -0.635 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.158 5.188 -1.291 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.442 5.157 -1.762 1.00 0.00 H new ATOM 681 N LYS A 42 3.973 3.596 -7.426 1.00 0.00 N ATOM 682 CA LYS A 42 4.064 4.142 -8.745 1.00 0.00 C ATOM 683 C LYS A 42 2.718 4.520 -9.260 1.00 0.00 C ATOM 684 O LYS A 42 1.727 3.837 -9.002 1.00 0.00 O ATOM 685 CB LYS A 42 4.702 3.118 -9.698 1.00 0.00 C ATOM 686 CG LYS A 42 6.152 2.793 -9.334 1.00 0.00 C ATOM 687 CD LYS A 42 6.921 2.008 -10.399 1.00 0.00 C ATOM 688 CE LYS A 42 7.020 2.713 -11.753 1.00 0.00 C ATOM 689 NZ LYS A 42 8.042 2.069 -12.609 1.00 0.00 N ATOM 0 H LYS A 42 3.315 2.819 -7.362 1.00 0.00 H new ATOM 0 HA LYS A 42 4.686 5.036 -8.696 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.114 2.200 -9.684 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.666 3.504 -10.717 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.680 3.726 -9.138 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.159 2.222 -8.406 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.928 1.810 -10.031 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.438 1.041 -10.541 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.052 2.687 -12.253 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.273 3.763 -11.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.092 2.564 -13.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.968 2.116 -12.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.785 1.074 -12.768 1.00 0.00 H new ATOM 703 N LYS A 43 2.607 5.628 -10.013 1.00 0.00 N ATOM 704 CA LYS A 43 1.360 6.079 -10.548 1.00 0.00 C ATOM 705 C LYS A 43 1.552 6.696 -11.891 1.00 0.00 C ATOM 706 O LYS A 43 2.358 7.611 -12.052 1.00 0.00 O ATOM 707 CB LYS A 43 0.706 7.099 -9.600 1.00 0.00 C ATOM 708 CG LYS A 43 -0.511 7.838 -10.161 1.00 0.00 C ATOM 709 CD LYS A 43 -1.137 8.840 -9.189 1.00 0.00 C ATOM 710 CE LYS A 43 -2.062 8.192 -8.156 1.00 0.00 C ATOM 711 NZ LYS A 43 -2.662 9.220 -7.276 1.00 0.00 N ATOM 0 H LYS A 43 3.399 6.223 -10.255 1.00 0.00 H new ATOM 0 HA LYS A 43 0.705 5.213 -10.649 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.406 6.581 -8.689 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.457 7.836 -9.315 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.216 8.365 -11.069 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.266 7.106 -10.448 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.342 9.375 -8.669 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.701 9.581 -9.756 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.850 7.636 -8.664 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.501 7.475 -7.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.286 8.761 -6.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.907 9.733 -6.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.214 9.889 -7.850 1.00 0.00 H new ATOM 725 N ASN A 44 0.792 6.253 -12.908 1.00 0.00 N ATOM 726 CA ASN A 44 0.825 6.806 -14.227 1.00 0.00 C ATOM 727 C ASN A 44 -0.143 7.925 -14.413 1.00 0.00 C ATOM 728 O ASN A 44 0.225 8.960 -14.965 1.00 0.00 O ATOM 729 CB ASN A 44 0.736 5.730 -15.322 1.00 0.00 C ATOM 730 CG ASN A 44 -0.536 4.896 -15.278 1.00 0.00 C ATOM 731 OD1 ASN A 44 -0.758 4.089 -14.375 1.00 0.00 O ATOM 732 ND2 ASN A 44 -1.419 5.054 -16.299 1.00 0.00 N ATOM 0 H ASN A 44 0.131 5.483 -12.809 1.00 0.00 H new ATOM 0 HA ASN A 44 1.810 7.259 -14.342 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.806 6.213 -16.297 1.00 0.00 H new ATOM 0 HB3 ASN A 44 1.596 5.066 -15.233 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -2.276 4.501 -16.322 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.225 5.726 -17.042 1.00 0.00 H new ATOM 739 N ASN A 45 -1.401 7.809 -13.953 1.00 0.00 N ATOM 740 CA ASN A 45 -2.387 8.836 -14.092 1.00 0.00 C ATOM 741 C ASN A 45 -2.569 9.634 -12.846 1.00 0.00 C ATOM 742 O ASN A 45 -3.170 9.100 -11.915 1.00 0.00 O ATOM 743 CB ASN A 45 -3.768 8.269 -14.461 1.00 0.00 C ATOM 744 CG ASN A 45 -3.727 7.643 -15.848 1.00 0.00 C ATOM 745 OD1 ASN A 45 -3.128 8.178 -16.780 1.00 0.00 O ATOM 746 ND2 ASN A 45 -4.404 6.474 -16.003 1.00 0.00 N ATOM 0 H ASN A 45 -1.743 6.978 -13.471 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.006 9.472 -14.891 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.071 7.523 -13.726 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -4.514 9.063 -14.435 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.426 6.014 -16.913 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.890 6.057 -15.209 1.00 0.00 H new ATOM 753 N PRO A 46 -2.178 10.866 -12.707 1.00 0.00 N ATOM 754 CA PRO A 46 -2.716 11.741 -11.705 1.00 0.00 C ATOM 755 C PRO A 46 -4.133 12.092 -12.001 1.00 0.00 C ATOM 756 O PRO A 46 -4.463 12.482 -13.120 1.00 0.00 O ATOM 757 CB PRO A 46 -1.794 12.958 -11.681 1.00 0.00 C ATOM 758 CG PRO A 46 -1.219 13.004 -13.106 1.00 0.00 C ATOM 759 CD PRO A 46 -1.124 11.513 -13.472 1.00 0.00 C ATOM 0 HA PRO A 46 -2.747 11.270 -10.723 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.340 13.870 -11.439 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -1.007 12.850 -10.934 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.870 13.549 -13.789 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -0.245 13.492 -13.136 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.263 11.360 -14.542 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.145 11.106 -13.217 1.00 0.00 H new ATOM 767 N ARG A 47 -5.014 11.882 -11.007 1.00 0.00 N ATOM 768 CA ARG A 47 -6.438 11.867 -11.139 1.00 0.00 C ATOM 769 C ARG A 47 -7.029 13.159 -10.688 1.00 0.00 C ATOM 770 O ARG A 47 -6.439 13.901 -9.903 1.00 0.00 O ATOM 771 CB ARG A 47 -6.929 10.662 -10.318 1.00 0.00 C ATOM 772 CG ARG A 47 -8.290 10.079 -10.700 1.00 0.00 C ATOM 773 CD ARG A 47 -8.618 8.834 -9.873 1.00 0.00 C ATOM 774 NE ARG A 47 -9.929 8.307 -10.345 1.00 0.00 N ATOM 775 CZ ARG A 47 -10.639 7.366 -9.656 1.00 0.00 C ATOM 776 NH1 ARG A 47 -10.269 6.886 -8.433 1.00 0.00 N ATOM 777 NH2 ARG A 47 -11.749 6.793 -10.205 1.00 0.00 N ATOM 0 H ARG A 47 -4.711 11.712 -10.048 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.751 11.762 -12.178 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.185 9.870 -10.398 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.968 10.958 -9.270 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -9.064 10.831 -10.550 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.294 9.825 -11.760 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.839 8.081 -9.991 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -8.665 9.081 -8.812 1.00 0.00 H new ATOM 0 HE ARG A 47 -10.313 8.664 -11.220 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -9.420 7.231 -7.985 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -10.841 6.182 -7.967 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -12.055 7.067 -11.139 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -12.272 6.091 -9.682 1.00 0.00 H new ATOM 791 N LYS A 48 -8.232 13.526 -11.165 1.00 0.00 N ATOM 792 CA LYS A 48 -8.753 14.848 -11.002 1.00 0.00 C ATOM 793 C LYS A 48 -9.195 15.216 -9.627 1.00 0.00 C ATOM 794 O LYS A 48 -10.061 14.590 -9.019 1.00 0.00 O ATOM 795 CB LYS A 48 -9.892 15.096 -12.005 1.00 0.00 C ATOM 796 CG LYS A 48 -10.517 16.492 -12.003 1.00 0.00 C ATOM 797 CD LYS A 48 -9.556 17.654 -12.262 1.00 0.00 C ATOM 798 CE LYS A 48 -8.823 17.592 -13.603 1.00 0.00 C ATOM 799 NZ LYS A 48 -8.178 18.896 -13.876 1.00 0.00 N ATOM 0 H LYS A 48 -8.853 12.895 -11.672 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.902 15.500 -11.200 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.513 14.894 -13.007 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.681 14.370 -11.810 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.301 16.519 -12.759 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.999 16.652 -11.038 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.116 18.588 -12.212 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.817 17.682 -11.461 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.073 16.801 -13.583 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.524 17.347 -14.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.680 18.853 -14.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.903 19.641 -13.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.497 19.112 -13.120 1.00 0.00 H new ATOM 813 N TYR A 49 -8.594 16.305 -9.114 1.00 0.00 N ATOM 814 CA TYR A 49 -8.862 16.978 -7.881 1.00 0.00 C ATOM 815 C TYR A 49 -8.337 16.267 -6.681 1.00 0.00 C ATOM 816 O TYR A 49 -7.909 15.114 -6.725 1.00 0.00 O ATOM 817 CB TYR A 49 -10.321 17.453 -7.780 1.00 0.00 C ATOM 818 CG TYR A 49 -10.477 18.661 -6.923 1.00 0.00 C ATOM 819 CD1 TYR A 49 -9.891 19.848 -7.295 1.00 0.00 C ATOM 820 CD2 TYR A 49 -11.183 18.599 -5.744 1.00 0.00 C ATOM 821 CE1 TYR A 49 -9.957 20.948 -6.472 1.00 0.00 C ATOM 822 CE2 TYR A 49 -11.259 19.697 -4.919 1.00 0.00 C ATOM 823 CZ TYR A 49 -10.621 20.864 -5.270 1.00 0.00 C ATOM 824 OH TYR A 49 -10.630 21.974 -4.400 1.00 0.00 O ATOM 0 H TYR A 49 -7.837 16.762 -9.623 1.00 0.00 H new ATOM 0 HA TYR A 49 -8.274 17.896 -7.893 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -10.697 17.671 -8.779 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -10.934 16.646 -7.378 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -9.375 19.917 -8.241 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -11.681 17.682 -5.464 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -9.489 21.875 -6.768 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -11.819 19.643 -3.997 1.00 0.00 H new ATOM 0 HH TYR A 49 -11.142 21.754 -3.594 1.00 0.00 H new ATOM 834 N LEU A 50 -8.301 16.947 -5.521 1.00 0.00 N ATOM 835 CA LEU A 50 -7.877 16.365 -4.287 1.00 0.00 C ATOM 836 C LEU A 50 -9.014 15.699 -3.589 1.00 0.00 C ATOM 837 O LEU A 50 -10.144 16.184 -3.586 1.00 0.00 O ATOM 838 CB LEU A 50 -7.167 17.369 -3.363 1.00 0.00 C ATOM 839 CG LEU A 50 -7.935 18.666 -3.060 1.00 0.00 C ATOM 840 CD1 LEU A 50 -7.709 19.071 -1.594 1.00 0.00 C ATOM 841 CD2 LEU A 50 -7.513 19.827 -3.976 1.00 0.00 C ATOM 0 H LEU A 50 -8.574 17.926 -5.440 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.137 15.606 -4.541 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.948 16.871 -2.419 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -6.210 17.633 -3.814 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.990 18.466 -3.244 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.255 19.991 -1.382 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.067 18.278 -0.938 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.645 19.232 -1.421 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.085 20.719 -3.720 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.450 20.028 -3.843 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.704 19.559 -5.015 1.00 0.00 H new ATOM 853 N ARG A 51 -8.731 14.526 -2.994 1.00 0.00 N ATOM 854 CA ARG A 51 -9.668 13.652 -2.359 1.00 0.00 C ATOM 855 C ARG A 51 -10.581 12.936 -3.294 1.00 0.00 C ATOM 856 O ARG A 51 -11.459 13.504 -3.941 1.00 0.00 O ATOM 857 CB ARG A 51 -10.431 14.257 -1.168 1.00 0.00 C ATOM 858 CG ARG A 51 -9.501 14.731 -0.049 1.00 0.00 C ATOM 859 CD ARG A 51 -10.228 15.180 1.220 1.00 0.00 C ATOM 860 NE ARG A 51 -10.795 16.541 1.000 1.00 0.00 N ATOM 861 CZ ARG A 51 -12.120 16.823 0.838 1.00 0.00 C ATOM 862 NH1 ARG A 51 -13.100 15.871 0.809 1.00 0.00 N ATOM 863 NH2 ARG A 51 -12.534 18.117 0.711 1.00 0.00 N ATOM 0 H ARG A 51 -7.778 14.164 -2.955 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.012 12.895 -1.929 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.032 15.097 -1.516 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.122 13.514 -0.770 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -8.815 13.923 0.205 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -8.896 15.558 -0.420 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -11.023 14.477 1.467 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -9.539 15.191 2.064 1.00 0.00 H new ATOM 0 HE ARG A 51 -10.141 17.323 0.968 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -12.857 14.886 0.912 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -14.074 16.146 0.685 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -11.852 18.875 0.737 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -13.525 18.326 0.590 1.00 0.00 H new ATOM 877 N SER A 52 -10.426 11.603 -3.383 1.00 0.00 N ATOM 878 CA SER A 52 -11.237 10.771 -4.216 1.00 0.00 C ATOM 879 C SER A 52 -12.535 10.461 -3.551 1.00 0.00 C ATOM 880 O SER A 52 -13.580 10.990 -3.926 1.00 0.00 O ATOM 881 CB SER A 52 -10.520 9.478 -4.636 1.00 0.00 C ATOM 882 OG SER A 52 -11.172 8.807 -5.704 1.00 0.00 O ATOM 0 H SER A 52 -9.716 11.089 -2.861 1.00 0.00 H new ATOM 0 HA SER A 52 -11.434 11.335 -5.128 1.00 0.00 H new ATOM 0 HB2 SER A 52 -9.498 9.715 -4.932 1.00 0.00 H new ATOM 0 HB3 SER A 52 -10.456 8.809 -3.778 1.00 0.00 H new ATOM 0 HG SER A 52 -10.674 7.994 -5.932 1.00 0.00 H new ATOM 888 N VAL A 53 -12.531 9.638 -2.487 1.00 0.00 N ATOM 889 CA VAL A 53 -13.644 9.432 -1.615 1.00 0.00 C ATOM 890 C VAL A 53 -13.321 10.038 -0.293 1.00 0.00 C ATOM 891 O VAL A 53 -14.052 10.868 0.245 1.00 0.00 O ATOM 892 CB VAL A 53 -13.979 7.977 -1.463 1.00 0.00 C ATOM 893 CG1 VAL A 53 -15.163 7.780 -0.502 1.00 0.00 C ATOM 894 CG2 VAL A 53 -14.353 7.399 -2.840 1.00 0.00 C ATOM 0 H VAL A 53 -11.712 9.090 -2.223 1.00 0.00 H new ATOM 0 HA VAL A 53 -14.524 9.909 -2.046 1.00 0.00 H new ATOM 0 HB VAL A 53 -13.109 7.464 -1.054 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -15.384 6.717 -0.410 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -14.907 8.183 0.478 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -16.038 8.300 -0.891 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -14.598 6.342 -2.737 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -15.216 7.934 -3.237 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -13.511 7.511 -3.523 1.00 0.00 H new ATOM 904 N GLY A 54 -12.163 9.654 0.274 1.00 0.00 N ATOM 905 CA GLY A 54 -11.655 10.125 1.525 1.00 0.00 C ATOM 906 C GLY A 54 -10.534 9.242 1.953 1.00 0.00 C ATOM 907 O GLY A 54 -9.601 9.009 1.186 1.00 0.00 O ATOM 0 H GLY A 54 -11.545 8.974 -0.168 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.309 11.154 1.428 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -12.444 10.124 2.277 1.00 0.00 H new ATOM 911 N ASP A 55 -10.617 8.668 3.166 1.00 0.00 N ATOM 912 CA ASP A 55 -9.768 7.597 3.591 1.00 0.00 C ATOM 913 C ASP A 55 -10.579 6.348 3.646 1.00 0.00 C ATOM 914 O ASP A 55 -11.807 6.388 3.714 1.00 0.00 O ATOM 915 CB ASP A 55 -9.115 7.880 4.955 1.00 0.00 C ATOM 916 CG ASP A 55 -8.418 9.233 4.975 1.00 0.00 C ATOM 917 OD1 ASP A 55 -7.608 9.542 4.060 1.00 0.00 O ATOM 918 OD2 ASP A 55 -8.658 10.005 5.941 1.00 0.00 O ATOM 0 H ASP A 55 -11.294 8.956 3.872 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.953 7.489 2.875 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.875 7.851 5.736 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.393 7.095 5.183 1.00 0.00 H new ATOM 923 N GLY A 56 -9.945 5.163 3.594 1.00 0.00 N ATOM 924 CA GLY A 56 -10.633 3.909 3.578 1.00 0.00 C ATOM 925 C GLY A 56 -10.753 3.287 2.230 1.00 0.00 C ATOM 926 O GLY A 56 -11.493 2.322 2.044 1.00 0.00 O ATOM 0 H GLY A 56 -8.929 5.074 3.562 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.113 3.216 4.239 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.633 4.052 3.988 1.00 0.00 H new ATOM 930 N GLU A 57 -10.077 3.850 1.212 1.00 0.00 N ATOM 931 CA GLU A 57 -10.084 3.388 -0.141 1.00 0.00 C ATOM 932 C GLU A 57 -9.263 2.168 -0.383 1.00 0.00 C ATOM 933 O GLU A 57 -8.409 1.777 0.410 1.00 0.00 O ATOM 934 CB GLU A 57 -9.729 4.539 -1.097 1.00 0.00 C ATOM 935 CG GLU A 57 -8.245 4.912 -1.082 1.00 0.00 C ATOM 936 CD GLU A 57 -7.882 6.019 -2.062 1.00 0.00 C ATOM 937 OE1 GLU A 57 -8.788 6.606 -2.712 1.00 0.00 O ATOM 938 OE2 GLU A 57 -6.674 6.363 -2.159 1.00 0.00 O ATOM 0 H GLU A 57 -9.492 4.675 1.342 1.00 0.00 H new ATOM 0 HA GLU A 57 -11.102 3.061 -0.351 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -10.014 4.259 -2.111 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -10.318 5.416 -0.831 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.968 5.225 -0.075 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.654 4.026 -1.314 1.00 0.00 H new ATOM 945 N THR A 58 -9.454 1.535 -1.554 1.00 0.00 N ATOM 946 CA THR A 58 -8.724 0.404 -2.037 1.00 0.00 C ATOM 947 C THR A 58 -7.609 0.784 -2.950 1.00 0.00 C ATOM 948 O THR A 58 -7.675 1.755 -3.701 1.00 0.00 O ATOM 949 CB THR A 58 -9.583 -0.590 -2.760 1.00 0.00 C ATOM 950 OG1 THR A 58 -10.722 0.009 -3.359 1.00 0.00 O ATOM 951 CG2 THR A 58 -10.114 -1.626 -1.755 1.00 0.00 C ATOM 0 H THR A 58 -10.173 1.837 -2.212 1.00 0.00 H new ATOM 0 HA THR A 58 -8.324 -0.054 -1.132 1.00 0.00 H new ATOM 0 HB THR A 58 -8.959 -1.036 -3.534 1.00 0.00 H new ATOM 0 HG1 THR A 58 -11.249 -0.678 -3.819 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.739 -2.351 -2.276 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.276 -2.141 -1.286 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.704 -1.121 -0.990 1.00 0.00 H new ATOM 959 N VAL A 59 -6.532 -0.022 -2.936 1.00 0.00 N ATOM 960 CA VAL A 59 -5.393 0.048 -3.799 1.00 0.00 C ATOM 961 C VAL A 59 -4.931 -1.356 -3.986 1.00 0.00 C ATOM 962 O VAL A 59 -5.195 -2.192 -3.124 1.00 0.00 O ATOM 963 CB VAL A 59 -4.337 0.947 -3.228 1.00 0.00 C ATOM 964 CG1 VAL A 59 -3.709 0.376 -1.946 1.00 0.00 C ATOM 965 CG2 VAL A 59 -3.257 1.282 -4.270 1.00 0.00 C ATOM 0 H VAL A 59 -6.453 -0.786 -2.265 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.638 0.489 -4.765 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.838 1.875 -2.951 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.951 1.065 -1.574 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.483 0.244 -1.189 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.248 -0.587 -2.165 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.509 1.935 -3.821 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.780 0.362 -4.608 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.716 1.787 -5.120 1.00 0.00 H new ATOM 975 N GLU A 60 -4.269 -1.705 -5.103 1.00 0.00 N ATOM 976 CA GLU A 60 -3.777 -3.028 -5.336 1.00 0.00 C ATOM 977 C GLU A 60 -2.302 -3.084 -5.137 1.00 0.00 C ATOM 978 O GLU A 60 -1.573 -2.123 -5.376 1.00 0.00 O ATOM 979 CB GLU A 60 -4.020 -3.545 -6.765 1.00 0.00 C ATOM 980 CG GLU A 60 -5.455 -3.387 -7.273 1.00 0.00 C ATOM 981 CD GLU A 60 -5.566 -3.293 -8.788 1.00 0.00 C ATOM 982 OE1 GLU A 60 -4.628 -2.788 -9.460 1.00 0.00 O ATOM 983 OE2 GLU A 60 -6.626 -3.706 -9.329 1.00 0.00 O ATOM 0 H GLU A 60 -4.071 -1.053 -5.862 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.326 -3.647 -4.626 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.350 -3.019 -7.445 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.750 -4.600 -6.805 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.048 -4.234 -6.927 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.890 -2.491 -6.830 1.00 0.00 H new ATOM 990 N PHE A 61 -1.825 -4.251 -4.667 1.00 0.00 N ATOM 991 CA PHE A 61 -0.445 -4.464 -4.357 1.00 0.00 C ATOM 992 C PHE A 61 -0.165 -5.927 -4.342 1.00 0.00 C ATOM 993 O PHE A 61 -1.071 -6.758 -4.372 1.00 0.00 O ATOM 994 CB PHE A 61 -0.035 -3.804 -3.030 1.00 0.00 C ATOM 995 CG PHE A 61 -0.962 -4.093 -1.899 1.00 0.00 C ATOM 996 CD1 PHE A 61 -2.122 -3.372 -1.747 1.00 0.00 C ATOM 997 CD2 PHE A 61 -0.681 -5.086 -0.991 1.00 0.00 C ATOM 998 CE1 PHE A 61 -3.006 -3.651 -0.730 1.00 0.00 C ATOM 999 CE2 PHE A 61 -1.541 -5.353 0.048 1.00 0.00 C ATOM 1000 CZ PHE A 61 -2.708 -4.639 0.178 1.00 0.00 C ATOM 0 H PHE A 61 -2.413 -5.067 -4.498 1.00 0.00 H new ATOM 0 HA PHE A 61 0.157 -3.988 -5.131 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.966 -4.142 -2.762 1.00 0.00 H new ATOM 0 HB3 PHE A 61 0.021 -2.725 -3.174 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.344 -2.572 -2.438 1.00 0.00 H new ATOM 0 HD2 PHE A 61 0.226 -5.663 -1.095 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.929 -3.097 -0.646 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -1.299 -6.125 0.763 1.00 0.00 H new ATOM 0 HZ PHE A 61 -3.388 -4.853 0.990 1.00 0.00 H new ATOM 1010 N ASP A 62 1.117 -6.330 -4.279 1.00 0.00 N ATOM 1011 CA ASP A 62 1.498 -7.690 -4.053 1.00 0.00 C ATOM 1012 C ASP A 62 1.794 -7.829 -2.599 1.00 0.00 C ATOM 1013 O ASP A 62 2.255 -6.865 -1.991 1.00 0.00 O ATOM 1014 CB ASP A 62 2.723 -8.026 -4.921 1.00 0.00 C ATOM 1015 CG ASP A 62 2.460 -7.941 -6.418 1.00 0.00 C ATOM 1016 OD1 ASP A 62 1.317 -7.684 -6.881 1.00 0.00 O ATOM 1017 OD2 ASP A 62 3.434 -8.192 -7.177 1.00 0.00 O ATOM 0 H ASP A 62 1.908 -5.695 -4.388 1.00 0.00 H new ATOM 0 HA ASP A 62 0.705 -8.385 -4.329 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.535 -7.345 -4.665 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.063 -9.033 -4.678 1.00 0.00 H new ATOM 1022 N VAL A 63 1.557 -8.974 -1.932 1.00 0.00 N ATOM 1023 CA VAL A 63 1.909 -9.168 -0.561 1.00 0.00 C ATOM 1024 C VAL A 63 3.083 -10.081 -0.478 1.00 0.00 C ATOM 1025 O VAL A 63 2.954 -11.304 -0.519 1.00 0.00 O ATOM 1026 CB VAL A 63 0.842 -9.749 0.320 1.00 0.00 C ATOM 1027 CG1 VAL A 63 1.257 -9.691 1.799 1.00 0.00 C ATOM 1028 CG2 VAL A 63 -0.461 -8.937 0.224 1.00 0.00 C ATOM 0 H VAL A 63 1.109 -9.785 -2.358 1.00 0.00 H new ATOM 0 HA VAL A 63 2.106 -8.161 -0.192 1.00 0.00 H new ATOM 0 HB VAL A 63 0.698 -10.776 -0.017 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.466 -10.118 2.416 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.176 -10.260 1.942 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.424 -8.654 2.090 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.215 -9.382 0.873 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.273 -7.910 0.536 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.819 -8.943 -0.806 1.00 0.00 H new ATOM 1038 N VAL A 64 4.306 -9.527 -0.380 1.00 0.00 N ATOM 1039 CA VAL A 64 5.512 -10.241 -0.661 1.00 0.00 C ATOM 1040 C VAL A 64 6.485 -10.082 0.457 1.00 0.00 C ATOM 1041 O VAL A 64 7.134 -9.046 0.593 1.00 0.00 O ATOM 1042 CB VAL A 64 6.069 -9.809 -1.985 1.00 0.00 C ATOM 1043 CG1 VAL A 64 5.387 -10.584 -3.126 1.00 0.00 C ATOM 1044 CG2 VAL A 64 5.844 -8.307 -2.234 1.00 0.00 C ATOM 0 H VAL A 64 4.459 -8.559 -0.098 1.00 0.00 H new ATOM 0 HA VAL A 64 5.297 -11.307 -0.737 1.00 0.00 H new ATOM 0 HB VAL A 64 7.139 -10.014 -1.962 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.800 -10.262 -4.082 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.563 -11.652 -2.996 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.315 -10.388 -3.109 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.261 -8.032 -3.203 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.775 -8.093 -2.225 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.336 -7.731 -1.451 1.00 0.00 H new ATOM 1054 N GLU A 65 6.614 -11.084 1.346 1.00 0.00 N ATOM 1055 CA GLU A 65 7.501 -11.030 2.465 1.00 0.00 C ATOM 1056 C GLU A 65 7.817 -12.379 3.014 1.00 0.00 C ATOM 1057 O GLU A 65 8.311 -13.263 2.314 1.00 0.00 O ATOM 1058 CB GLU A 65 6.959 -10.119 3.579 1.00 0.00 C ATOM 1059 CG GLU A 65 7.926 -9.593 4.643 1.00 0.00 C ATOM 1060 CD GLU A 65 9.414 -9.727 4.357 1.00 0.00 C ATOM 1061 OE1 GLU A 65 9.982 -8.877 3.620 1.00 0.00 O ATOM 1062 OE2 GLU A 65 10.030 -10.686 4.895 1.00 0.00 O ATOM 0 H GLU A 65 6.087 -11.955 1.284 1.00 0.00 H new ATOM 0 HA GLU A 65 8.430 -10.602 2.087 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.494 -9.256 3.102 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.168 -10.664 4.094 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.707 -8.538 4.806 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.714 -10.111 5.578 1.00 0.00 H new ATOM 1069 N GLY A 66 7.532 -12.596 4.310 1.00 0.00 N ATOM 1070 CA GLY A 66 8.036 -13.642 5.145 1.00 0.00 C ATOM 1071 C GLY A 66 7.053 -13.956 6.219 1.00 0.00 C ATOM 1072 O GLY A 66 5.842 -13.872 6.016 1.00 0.00 O ATOM 0 H GLY A 66 6.892 -11.984 4.817 1.00 0.00 H new ATOM 0 HA2 GLY A 66 8.231 -14.533 4.548 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.986 -13.340 5.587 1.00 0.00 H new ATOM 1076 N GLU A 67 7.524 -14.318 7.426 1.00 0.00 N ATOM 1077 CA GLU A 67 6.702 -14.607 8.560 1.00 0.00 C ATOM 1078 C GLU A 67 6.500 -13.452 9.478 1.00 0.00 C ATOM 1079 O GLU A 67 5.453 -13.323 10.109 1.00 0.00 O ATOM 1080 CB GLU A 67 7.344 -15.739 9.378 1.00 0.00 C ATOM 1081 CG GLU A 67 7.125 -17.127 8.772 1.00 0.00 C ATOM 1082 CD GLU A 67 7.714 -18.212 9.662 1.00 0.00 C ATOM 1083 OE1 GLU A 67 7.312 -18.308 10.852 1.00 0.00 O ATOM 1084 OE2 GLU A 67 8.583 -18.983 9.171 1.00 0.00 O ATOM 0 H GLU A 67 8.521 -14.413 7.620 1.00 0.00 H new ATOM 0 HA GLU A 67 5.728 -14.881 8.156 1.00 0.00 H new ATOM 0 HB2 GLU A 67 8.415 -15.553 9.464 1.00 0.00 H new ATOM 0 HB3 GLU A 67 6.936 -15.723 10.389 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.058 -17.304 8.636 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.584 -17.173 7.785 1.00 0.00 H new ATOM 1091 N LYS A 68 7.517 -12.587 9.646 1.00 0.00 N ATOM 1092 CA LYS A 68 7.558 -11.593 10.674 1.00 0.00 C ATOM 1093 C LYS A 68 6.521 -10.532 10.534 1.00 0.00 C ATOM 1094 O LYS A 68 5.929 -10.084 11.514 1.00 0.00 O ATOM 1095 CB LYS A 68 8.950 -10.941 10.732 1.00 0.00 C ATOM 1096 CG LYS A 68 10.124 -11.902 10.934 1.00 0.00 C ATOM 1097 CD LYS A 68 10.144 -12.652 12.268 1.00 0.00 C ATOM 1098 CE LYS A 68 10.272 -11.747 13.494 1.00 0.00 C ATOM 1099 NZ LYS A 68 10.239 -12.563 14.729 1.00 0.00 N ATOM 0 H LYS A 68 8.340 -12.580 9.044 1.00 0.00 H new ATOM 0 HA LYS A 68 7.342 -12.121 11.602 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.111 -10.389 9.806 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.957 -10.213 11.543 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.114 -12.634 10.126 1.00 0.00 H new ATOM 0 HG3 LYS A 68 11.052 -11.338 10.841 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.229 -13.238 12.357 1.00 0.00 H new ATOM 0 HD3 LYS A 68 10.975 -13.358 12.263 1.00 0.00 H new ATOM 0 HE2 LYS A 68 11.204 -11.183 13.445 1.00 0.00 H new ATOM 0 HE3 LYS A 68 9.460 -11.020 13.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 10.326 -11.941 15.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 9.339 -13.082 14.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.028 -13.240 14.719 1.00 0.00 H new ATOM 1113 N GLY A 69 6.244 -10.126 9.281 1.00 0.00 N ATOM 1114 CA GLY A 69 5.214 -9.200 8.925 1.00 0.00 C ATOM 1115 C GLY A 69 4.954 -9.333 7.463 1.00 0.00 C ATOM 1116 O GLY A 69 5.223 -10.369 6.858 1.00 0.00 O ATOM 0 H GLY A 69 6.768 -10.463 8.473 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.306 -9.404 9.493 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.518 -8.181 9.166 1.00 0.00 H new ATOM 1120 N ALA A 70 4.411 -8.280 6.827 1.00 0.00 N ATOM 1121 CA ALA A 70 4.226 -8.247 5.409 1.00 0.00 C ATOM 1122 C ALA A 70 4.765 -6.993 4.810 1.00 0.00 C ATOM 1123 O ALA A 70 4.951 -5.981 5.483 1.00 0.00 O ATOM 1124 CB ALA A 70 2.730 -8.410 5.091 1.00 0.00 C ATOM 0 H ALA A 70 4.095 -7.436 7.305 1.00 0.00 H new ATOM 0 HA ALA A 70 4.784 -9.072 4.966 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.583 -8.386 4.011 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.376 -9.363 5.484 1.00 0.00 H new ATOM 0 HB3 ALA A 70 2.169 -7.597 5.552 1.00 0.00 H new ATOM 1130 N GLU A 71 5.054 -7.034 3.497 1.00 0.00 N ATOM 1131 CA GLU A 71 5.637 -5.998 2.701 1.00 0.00 C ATOM 1132 C GLU A 71 4.899 -5.997 1.407 1.00 0.00 C ATOM 1133 O GLU A 71 4.165 -6.940 1.119 1.00 0.00 O ATOM 1134 CB GLU A 71 7.150 -6.235 2.570 1.00 0.00 C ATOM 1135 CG GLU A 71 7.874 -5.571 1.398 1.00 0.00 C ATOM 1136 CD GLU A 71 9.393 -5.581 1.486 1.00 0.00 C ATOM 1137 OE1 GLU A 71 9.952 -5.034 2.475 1.00 0.00 O ATOM 1138 OE2 GLU A 71 10.047 -6.095 0.540 1.00 0.00 O ATOM 0 H GLU A 71 4.861 -7.869 2.944 1.00 0.00 H new ATOM 0 HA GLU A 71 5.545 -5.009 3.149 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.624 -5.897 3.492 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.317 -7.310 2.502 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.576 -6.072 0.477 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.537 -4.537 1.322 1.00 0.00 H new ATOM 1145 N ALA A 72 5.128 -5.030 0.501 1.00 0.00 N ATOM 1146 CA ALA A 72 4.310 -4.806 -0.651 1.00 0.00 C ATOM 1147 C ALA A 72 5.199 -4.362 -1.760 1.00 0.00 C ATOM 1148 O ALA A 72 6.315 -3.885 -1.559 1.00 0.00 O ATOM 1149 CB ALA A 72 3.300 -3.664 -0.449 1.00 0.00 C ATOM 0 H ALA A 72 5.911 -4.380 0.573 1.00 0.00 H new ATOM 0 HA ALA A 72 3.773 -5.733 -0.852 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.707 -3.539 -1.355 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.642 -3.904 0.386 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.835 -2.739 -0.235 1.00 0.00 H new ATOM 1155 N ALA A 73 4.730 -4.616 -2.995 1.00 0.00 N ATOM 1156 CA ALA A 73 5.397 -4.283 -4.216 1.00 0.00 C ATOM 1157 C ALA A 73 4.330 -4.037 -5.226 1.00 0.00 C ATOM 1158 O ALA A 73 3.184 -4.436 -5.020 1.00 0.00 O ATOM 1159 CB ALA A 73 6.295 -5.437 -4.694 1.00 0.00 C ATOM 0 H ALA A 73 3.835 -5.080 -3.150 1.00 0.00 H new ATOM 0 HA ALA A 73 6.035 -3.411 -4.072 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.788 -5.153 -5.624 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.047 -5.651 -3.935 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.687 -6.326 -4.862 1.00 0.00 H new ATOM 1165 N ASN A 74 4.674 -3.370 -6.342 1.00 0.00 N ATOM 1166 CA ASN A 74 3.843 -3.147 -7.484 1.00 0.00 C ATOM 1167 C ASN A 74 2.547 -2.489 -7.158 1.00 0.00 C ATOM 1168 O ASN A 74 1.462 -2.988 -7.453 1.00 0.00 O ATOM 1169 CB ASN A 74 3.648 -4.433 -8.304 1.00 0.00 C ATOM 1170 CG ASN A 74 4.996 -5.062 -8.623 1.00 0.00 C ATOM 1171 OD1 ASN A 74 5.901 -4.453 -9.189 1.00 0.00 O ATOM 1172 ND2 ASN A 74 5.180 -6.355 -8.241 1.00 0.00 N ATOM 0 H ASN A 74 5.600 -2.957 -6.453 1.00 0.00 H new ATOM 0 HA ASN A 74 4.381 -2.435 -8.110 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.032 -5.139 -7.746 1.00 0.00 H new ATOM 0 HB3 ASN A 74 3.116 -4.207 -9.228 1.00 0.00 H new ATOM 0 HD21 ASN A 74 6.069 -6.819 -8.424 1.00 0.00 H new ATOM 0 HD22 ASN A 74 4.428 -6.860 -7.771 1.00 0.00 H new ATOM 1179 N VAL A 75 2.610 -1.328 -6.479 1.00 0.00 N ATOM 1180 CA VAL A 75 1.456 -0.694 -5.921 1.00 0.00 C ATOM 1181 C VAL A 75 0.818 0.200 -6.928 1.00 0.00 C ATOM 1182 O VAL A 75 1.469 1.030 -7.559 1.00 0.00 O ATOM 1183 CB VAL A 75 1.788 0.060 -4.667 1.00 0.00 C ATOM 1184 CG1 VAL A 75 0.504 0.533 -3.967 1.00 0.00 C ATOM 1185 CG2 VAL A 75 2.590 -0.847 -3.719 1.00 0.00 C ATOM 0 H VAL A 75 3.480 -0.821 -6.315 1.00 0.00 H new ATOM 0 HA VAL A 75 0.746 -1.474 -5.648 1.00 0.00 H new ATOM 0 HB VAL A 75 2.384 0.934 -4.930 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.764 1.078 -3.059 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.055 1.188 -4.636 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.109 -0.331 -3.709 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.831 -0.299 -2.808 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.996 -1.726 -3.467 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.512 -1.160 -4.209 1.00 0.00 H new ATOM 1195 N THR A 76 -0.497 0.032 -7.158 1.00 0.00 N ATOM 1196 CA THR A 76 -1.200 0.644 -8.242 1.00 0.00 C ATOM 1197 C THR A 76 -1.862 1.931 -7.887 1.00 0.00 C ATOM 1198 O THR A 76 -1.731 2.471 -6.790 1.00 0.00 O ATOM 1199 CB THR A 76 -2.192 -0.258 -8.914 1.00 0.00 C ATOM 1200 OG1 THR A 76 -3.260 -0.657 -8.067 1.00 0.00 O ATOM 1201 CG2 THR A 76 -1.433 -1.525 -9.344 1.00 0.00 C ATOM 0 H THR A 76 -1.091 -0.551 -6.568 1.00 0.00 H new ATOM 0 HA THR A 76 -0.403 0.859 -8.954 1.00 0.00 H new ATOM 0 HB THR A 76 -2.631 0.290 -9.748 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.846 -1.277 -8.549 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.121 -2.211 -9.839 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.633 -1.254 -10.033 1.00 0.00 H new ATOM 0 HG23 THR A 76 -1.007 -2.010 -8.466 1.00 0.00 H new ATOM 1209 N GLY A 77 -2.599 2.500 -8.858 1.00 0.00 N ATOM 1210 CA GLY A 77 -3.442 3.638 -8.655 1.00 0.00 C ATOM 1211 C GLY A 77 -4.592 3.609 -9.602 1.00 0.00 C ATOM 1212 O GLY A 77 -4.580 4.352 -10.583 1.00 0.00 O ATOM 0 H GLY A 77 -2.608 2.156 -9.818 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.808 3.648 -7.628 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.868 4.554 -8.798 1.00 0.00 H new ATOM 1216 N PRO A 78 -5.582 2.792 -9.403 1.00 0.00 N ATOM 1217 CA PRO A 78 -6.613 2.580 -10.375 1.00 0.00 C ATOM 1218 C PRO A 78 -7.607 3.691 -10.417 1.00 0.00 C ATOM 1219 O PRO A 78 -7.688 4.498 -9.494 1.00 0.00 O ATOM 1220 CB PRO A 78 -7.259 1.272 -9.926 1.00 0.00 C ATOM 1221 CG PRO A 78 -7.123 1.290 -8.395 1.00 0.00 C ATOM 1222 CD PRO A 78 -5.754 1.965 -8.216 1.00 0.00 C ATOM 0 HA PRO A 78 -6.216 2.541 -11.389 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -8.304 1.218 -10.232 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -6.754 0.409 -10.360 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -7.924 1.855 -7.919 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -7.144 0.287 -7.970 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -5.727 2.568 -7.308 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -4.958 1.226 -8.132 1.00 0.00 H new ATOM 1230 N GLY A 79 -8.385 3.767 -11.512 1.00 0.00 N ATOM 1231 CA GLY A 79 -9.396 4.757 -11.712 1.00 0.00 C ATOM 1232 C GLY A 79 -9.555 5.070 -13.194 1.00 0.00 C ATOM 1233 O GLY A 79 -8.697 5.816 -13.735 1.00 0.00 O ATOM 1234 OXT GLY A 79 -10.540 4.603 -13.826 1.00 0.00 O ATOM 0 H GLY A 79 -8.306 3.111 -12.289 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -10.344 4.404 -11.306 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.135 5.665 -11.169 1.00 0.00 H new TER 1238 GLY A 79