USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 624 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 64 ASN : amide:sc= 0.598 K(o=2,f=-3!) USER MOD Set 1.2: A 83 SER OG : rot -108:sc= 1.39 USER MOD Set 2.1: A 61 THR OG1 : rot 97:sc= 1.31 USER MOD Set 2.2: A 62 HIS : no HD1:sc= 0.946 K(o=2.3,f=-1.2) USER MOD Set 3.1: A 42 HIS : no HD1:sc= 0.0505 K(o=-2.6,f=-4.1) USER MOD Set 3.2: A 56 GLN : amide:sc= -2.69! C(o=-2.6!,f=-6.6!) USER MOD Set 4.1: A 37 HIS : no HD1:sc= -0.0894 X(o=-0.15,f=-0.22) USER MOD Set 4.2: A 69 HIS : no HD1:sc= -0.0564 X(o=-0.15,f=-0.042) USER MOD Single : A 3 SER OG : rot 33:sc= 0.175 USER MOD Single : A 4 MET CE :methyl 158:sc= -0.0885 (180deg=-0.514) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot -159:sc= 0.586 USER MOD Single : A 20 THR OG1 : rot 72:sc= 0.0131 USER MOD Single : A 38 HIS : no HD1:sc= -2.25! C(o=-2.2!,f=-5.1!) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -130:sc= -0.905 USER MOD Single : A 73 HIS : no HD1:sc= -0.0014 X(o=-0.0014,f=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -0.594 K(o=-0.59,f=-4.4!) USER MOD Single : A 86 LYS NZ :NH3+ 167:sc= -0.0328 (180deg=-0.212) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 140:sc= -0.511 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N SER A 3 -7.586 -4.721 -15.412 1.00 0.00 N ATOM 18 CA SER A 3 -6.349 -4.279 -16.023 1.00 0.00 C ATOM 19 C SER A 3 -6.183 -2.776 -15.858 1.00 0.00 C ATOM 20 O SER A 3 -7.168 -2.033 -15.862 1.00 0.00 O ATOM 21 CB SER A 3 -6.341 -4.654 -17.503 1.00 0.00 C ATOM 22 OG SER A 3 -6.627 -6.033 -17.673 1.00 0.00 O ATOM 0 HA SER A 3 -5.514 -4.773 -15.527 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.078 -4.056 -18.039 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.368 -4.423 -17.936 1.00 0.00 H new ATOM 0 HG SER A 3 -7.250 -6.326 -16.976 1.00 0.00 H new ATOM 28 N MET A 4 -4.932 -2.348 -15.710 1.00 0.00 N ATOM 29 CA MET A 4 -4.585 -0.937 -15.542 1.00 0.00 C ATOM 30 C MET A 4 -5.163 -0.371 -14.251 1.00 0.00 C ATOM 31 O MET A 4 -6.249 0.212 -14.239 1.00 0.00 O ATOM 32 CB MET A 4 -5.053 -0.101 -16.736 1.00 0.00 C ATOM 33 CG MET A 4 -4.371 -0.468 -18.044 1.00 0.00 C ATOM 34 SD MET A 4 -4.597 0.779 -19.325 1.00 0.00 S ATOM 35 CE MET A 4 -3.571 2.102 -18.688 1.00 0.00 C ATOM 0 H MET A 4 -4.125 -2.972 -15.703 1.00 0.00 H new ATOM 0 HA MET A 4 -3.498 -0.882 -15.486 1.00 0.00 H new ATOM 0 HB2 MET A 4 -6.130 -0.221 -16.852 1.00 0.00 H new ATOM 0 HB3 MET A 4 -4.870 0.953 -16.524 1.00 0.00 H new ATOM 0 HG2 MET A 4 -3.305 -0.609 -17.865 1.00 0.00 H new ATOM 0 HG3 MET A 4 -4.764 -1.421 -18.398 1.00 0.00 H new ATOM 0 HE1 MET A 4 -3.286 2.766 -19.504 1.00 0.00 H new ATOM 0 HE2 MET A 4 -4.127 2.665 -17.939 1.00 0.00 H new ATOM 0 HE3 MET A 4 -2.675 1.680 -18.233 1.00 0.00 H new ATOM 45 N ARG A 5 -4.432 -0.552 -13.161 1.00 0.00 N ATOM 46 CA ARG A 5 -4.862 -0.051 -11.864 1.00 0.00 C ATOM 47 C ARG A 5 -4.736 1.470 -11.844 1.00 0.00 C ATOM 48 O ARG A 5 -3.748 2.011 -12.341 1.00 0.00 O ATOM 49 CB ARG A 5 -4.034 -0.674 -10.736 1.00 0.00 C ATOM 50 CG ARG A 5 -4.322 -2.150 -10.507 1.00 0.00 C ATOM 51 CD ARG A 5 -3.563 -3.031 -11.488 1.00 0.00 C ATOM 52 NE ARG A 5 -3.976 -4.427 -11.411 1.00 0.00 N ATOM 53 CZ ARG A 5 -3.645 -5.356 -12.306 1.00 0.00 C ATOM 54 NH1 ARG A 5 -2.875 -5.049 -13.346 1.00 0.00 N ATOM 55 NH2 ARG A 5 -4.084 -6.598 -12.159 1.00 0.00 N ATOM 0 H ARG A 5 -3.538 -1.042 -13.149 1.00 0.00 H new ATOM 0 HA ARG A 5 -5.904 -0.329 -11.703 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -2.975 -0.551 -10.964 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -4.226 -0.128 -9.812 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -4.047 -2.420 -9.487 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -5.392 -2.332 -10.608 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -3.722 -2.663 -12.502 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -2.494 -2.959 -11.286 1.00 0.00 H new ATOM 0 HE ARG A 5 -4.556 -4.710 -10.621 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -2.533 -4.095 -13.463 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -2.627 -5.767 -14.026 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -4.673 -6.840 -11.362 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -3.832 -7.312 -12.843 1.00 0.00 H new ATOM 69 N PRO A 6 -5.727 2.186 -11.298 1.00 0.00 N ATOM 70 CA PRO A 6 -5.723 3.650 -11.249 1.00 0.00 C ATOM 71 C PRO A 6 -5.025 4.208 -10.007 1.00 0.00 C ATOM 72 O PRO A 6 -5.498 4.009 -8.885 1.00 0.00 O ATOM 73 CB PRO A 6 -7.226 3.995 -11.207 1.00 0.00 C ATOM 74 CG PRO A 6 -7.948 2.678 -11.147 1.00 0.00 C ATOM 75 CD PRO A 6 -6.951 1.675 -10.683 1.00 0.00 C ATOM 0 HA PRO A 6 -5.179 4.079 -12.090 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -7.462 4.610 -10.338 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -7.521 4.563 -12.089 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -8.795 2.730 -10.463 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.345 2.407 -12.125 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -6.881 1.637 -9.596 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -7.192 0.668 -11.022 1.00 0.00 H new ATOM 83 N PRO A 7 -3.884 4.904 -10.178 1.00 0.00 N ATOM 84 CA PRO A 7 -3.159 5.496 -9.056 1.00 0.00 C ATOM 85 C PRO A 7 -3.885 6.687 -8.452 1.00 0.00 C ATOM 86 O PRO A 7 -4.278 7.621 -9.156 1.00 0.00 O ATOM 87 CB PRO A 7 -1.835 5.965 -9.654 1.00 0.00 C ATOM 88 CG PRO A 7 -1.764 5.358 -11.012 1.00 0.00 C ATOM 89 CD PRO A 7 -3.189 5.141 -11.453 1.00 0.00 C ATOM 0 HA PRO A 7 -3.046 4.771 -8.250 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.795 7.053 -9.710 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -0.994 5.646 -9.039 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -1.238 6.015 -11.705 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.216 4.416 -10.989 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -3.588 6.009 -11.978 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -3.280 4.291 -12.129 1.00 0.00 H new ATOM 97 N ILE A 8 -4.062 6.638 -7.148 1.00 0.00 N ATOM 98 CA ILE A 8 -4.706 7.696 -6.412 1.00 0.00 C ATOM 99 C ILE A 8 -3.642 8.642 -5.893 1.00 0.00 C ATOM 100 O ILE A 8 -2.816 8.271 -5.063 1.00 0.00 O ATOM 101 CB ILE A 8 -5.515 7.126 -5.244 1.00 0.00 C ATOM 102 CG1 ILE A 8 -6.122 5.791 -5.643 1.00 0.00 C ATOM 103 CG2 ILE A 8 -6.606 8.086 -4.846 1.00 0.00 C ATOM 104 CD1 ILE A 8 -6.637 4.981 -4.480 1.00 0.00 C ATOM 0 H ILE A 8 -3.759 5.855 -6.568 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.392 8.229 -7.070 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.850 6.979 -4.393 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.941 5.969 -6.340 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.372 5.207 -6.176 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.173 7.668 -4.014 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.163 9.035 -4.542 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.272 8.251 -5.693 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.054 4.043 -4.846 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.818 4.770 -3.793 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.412 5.544 -3.959 1.00 0.00 H new ATOM 116 N ILE A 9 -3.640 9.849 -6.409 1.00 0.00 N ATOM 117 CA ILE A 9 -2.649 10.829 -6.008 1.00 0.00 C ATOM 118 C ILE A 9 -2.987 11.453 -4.657 1.00 0.00 C ATOM 119 O ILE A 9 -3.855 12.325 -4.564 1.00 0.00 O ATOM 120 CB ILE A 9 -2.499 11.959 -7.050 1.00 0.00 C ATOM 121 CG1 ILE A 9 -2.689 11.427 -8.477 1.00 0.00 C ATOM 122 CG2 ILE A 9 -1.136 12.628 -6.901 1.00 0.00 C ATOM 123 CD1 ILE A 9 -1.578 10.522 -8.960 1.00 0.00 C ATOM 0 H ILE A 9 -4.309 10.178 -7.105 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.707 10.287 -5.931 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.278 12.700 -6.868 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.632 10.882 -8.526 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.774 12.273 -9.159 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.039 13.424 -7.640 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.045 13.049 -5.900 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.349 11.890 -7.057 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.793 10.192 -9.976 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.634 11.066 -8.947 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.505 9.654 -8.305 1.00 0.00 H new ATOM 135 N ILE A 10 -2.318 10.985 -3.606 1.00 0.00 N ATOM 136 CA ILE A 10 -2.511 11.546 -2.274 1.00 0.00 C ATOM 137 C ILE A 10 -1.702 12.836 -2.208 1.00 0.00 C ATOM 138 O ILE A 10 -0.892 13.093 -3.092 1.00 0.00 O ATOM 139 CB ILE A 10 -2.023 10.599 -1.134 1.00 0.00 C ATOM 140 CG1 ILE A 10 -2.650 9.216 -1.218 1.00 0.00 C ATOM 141 CG2 ILE A 10 -2.337 11.183 0.237 1.00 0.00 C ATOM 142 CD1 ILE A 10 -1.674 8.113 -0.927 1.00 0.00 C ATOM 0 H ILE A 10 -1.641 10.223 -3.651 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.578 11.705 -2.121 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.945 10.505 -1.266 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.480 9.155 -0.514 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.067 9.072 -2.215 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.986 10.502 1.012 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.837 12.145 0.346 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.414 11.321 0.336 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.180 7.150 -1.002 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -0.857 8.151 -1.647 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.276 8.236 0.080 1.00 0.00 H new ATOM 154 N HIS A 11 -1.914 13.635 -1.186 1.00 0.00 N ATOM 155 CA HIS A 11 -1.174 14.864 -1.015 1.00 0.00 C ATOM 156 C HIS A 11 -0.973 15.099 0.470 1.00 0.00 C ATOM 157 O HIS A 11 -1.936 15.258 1.221 1.00 0.00 O ATOM 158 CB HIS A 11 -1.915 16.044 -1.655 1.00 0.00 C ATOM 159 CG HIS A 11 -1.195 17.355 -1.526 1.00 0.00 C ATOM 160 ND1 HIS A 11 -1.677 18.362 -0.724 1.00 0.00 N ATOM 161 CD2 HIS A 11 -0.041 17.767 -2.107 1.00 0.00 C ATOM 162 CE1 HIS A 11 -0.814 19.356 -0.832 1.00 0.00 C ATOM 163 NE2 HIS A 11 0.193 19.043 -1.657 1.00 0.00 N ATOM 0 H HIS A 11 -2.600 13.452 -0.454 1.00 0.00 H new ATOM 0 HA HIS A 11 -0.207 14.781 -1.512 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -2.074 15.830 -2.712 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -2.900 16.134 -1.196 1.00 0.00 H new ATOM 0 HD2 HIS A 11 0.574 17.201 -2.791 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -0.909 20.302 -0.319 1.00 0.00 H new ATOM 0 HE2 HIS A 11 0.983 19.639 -1.904 1.00 0.00 H new ATOM 171 N ARG A 12 0.278 15.048 0.895 1.00 0.00 N ATOM 172 CA ARG A 12 0.627 15.259 2.282 1.00 0.00 C ATOM 173 C ARG A 12 0.332 16.699 2.682 1.00 0.00 C ATOM 174 O ARG A 12 1.109 17.606 2.385 1.00 0.00 O ATOM 175 CB ARG A 12 2.104 14.936 2.489 1.00 0.00 C ATOM 176 CG ARG A 12 2.542 14.950 3.939 1.00 0.00 C ATOM 177 CD ARG A 12 3.976 14.482 4.067 1.00 0.00 C ATOM 178 NE ARG A 12 4.439 14.513 5.458 1.00 0.00 N ATOM 179 CZ ARG A 12 5.605 15.023 5.858 1.00 0.00 C ATOM 180 NH1 ARG A 12 6.452 15.551 4.983 1.00 0.00 N ATOM 181 NH2 ARG A 12 5.919 15.010 7.150 1.00 0.00 N ATOM 0 H ARG A 12 1.075 14.860 0.287 1.00 0.00 H new ATOM 0 HA ARG A 12 0.029 14.600 2.911 1.00 0.00 H new ATOM 0 HB2 ARG A 12 2.313 13.953 2.067 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.704 15.656 1.932 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.445 15.957 4.344 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.889 14.305 4.528 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.063 13.468 3.678 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.620 15.114 3.456 1.00 0.00 H new ATOM 0 HE ARG A 12 3.826 14.116 6.170 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.215 15.570 3.991 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.340 15.938 5.302 1.00 0.00 H new ATOM 0 HH21 ARG A 12 5.270 14.612 7.829 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.809 15.398 7.462 1.00 0.00 H new ATOM 195 N ALA A 13 -0.800 16.901 3.338 1.00 0.00 N ATOM 196 CA ALA A 13 -1.210 18.229 3.781 1.00 0.00 C ATOM 197 C ALA A 13 -0.432 18.666 5.019 1.00 0.00 C ATOM 198 O ALA A 13 -1.015 18.982 6.056 1.00 0.00 O ATOM 199 CB ALA A 13 -2.704 18.247 4.057 1.00 0.00 C ATOM 0 H ALA A 13 -1.457 16.158 3.578 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.987 18.938 2.983 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.001 19.242 4.387 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.245 17.990 3.146 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.939 17.521 4.836 1.00 0.00 H new ATOM 205 N GLY A 14 0.891 18.660 4.905 1.00 0.00 N ATOM 206 CA GLY A 14 1.749 19.064 6.003 1.00 0.00 C ATOM 207 C GLY A 14 1.755 18.071 7.151 1.00 0.00 C ATOM 208 O GLY A 14 2.219 18.389 8.246 1.00 0.00 O ATOM 0 H GLY A 14 1.390 18.379 4.061 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.767 19.189 5.634 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.422 20.036 6.373 1.00 0.00 H new ATOM 212 N LYS A 15 1.249 16.868 6.910 1.00 0.00 N ATOM 213 CA LYS A 15 1.209 15.849 7.952 1.00 0.00 C ATOM 214 C LYS A 15 1.541 14.460 7.401 1.00 0.00 C ATOM 215 O LYS A 15 2.675 13.998 7.521 1.00 0.00 O ATOM 216 CB LYS A 15 -0.157 15.836 8.653 1.00 0.00 C ATOM 217 CG LYS A 15 -1.333 16.144 7.738 1.00 0.00 C ATOM 218 CD LYS A 15 -2.617 15.516 8.254 1.00 0.00 C ATOM 219 CE LYS A 15 -3.175 16.267 9.450 1.00 0.00 C ATOM 220 NZ LYS A 15 -4.403 15.622 9.982 1.00 0.00 N ATOM 0 H LYS A 15 0.864 16.576 6.012 1.00 0.00 H new ATOM 0 HA LYS A 15 1.974 16.106 8.685 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -0.311 14.856 9.106 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.143 16.564 9.465 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.461 17.224 7.658 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.122 15.773 6.735 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.360 15.501 7.456 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -2.427 14.479 8.533 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.420 16.314 10.235 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.399 17.294 9.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.754 16.163 10.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.132 15.600 9.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.183 14.650 10.280 1.00 0.00 H new ATOM 234 N LYS A 16 0.569 13.807 6.775 1.00 0.00 N ATOM 235 CA LYS A 16 0.777 12.469 6.239 1.00 0.00 C ATOM 236 C LYS A 16 -0.199 12.171 5.108 1.00 0.00 C ATOM 237 O LYS A 16 -1.033 13.007 4.766 1.00 0.00 O ATOM 238 CB LYS A 16 0.614 11.436 7.354 1.00 0.00 C ATOM 239 CG LYS A 16 -0.521 11.733 8.323 1.00 0.00 C ATOM 240 CD LYS A 16 -0.415 10.869 9.567 1.00 0.00 C ATOM 241 CE LYS A 16 -1.370 11.328 10.656 1.00 0.00 C ATOM 242 NZ LYS A 16 -1.252 10.499 11.883 1.00 0.00 N ATOM 0 H LYS A 16 -0.368 14.182 6.627 1.00 0.00 H new ATOM 0 HA LYS A 16 1.788 12.415 5.836 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.445 10.457 6.905 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.547 11.373 7.914 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.498 12.786 8.604 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.478 11.555 7.833 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.630 9.832 9.309 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.607 10.898 9.944 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.167 12.370 10.901 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.394 11.282 10.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.920 10.845 12.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.471 9.508 11.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.282 10.563 12.253 1.00 0.00 H new ATOM 256 N TYR A 17 -0.069 10.987 4.518 1.00 0.00 N ATOM 257 CA TYR A 17 -0.940 10.563 3.427 1.00 0.00 C ATOM 258 C TYR A 17 -2.187 9.896 3.979 1.00 0.00 C ATOM 259 O TYR A 17 -3.038 9.426 3.229 1.00 0.00 O ATOM 260 CB TYR A 17 -0.198 9.643 2.465 1.00 0.00 C ATOM 261 CG TYR A 17 1.150 10.199 2.079 1.00 0.00 C ATOM 262 CD1 TYR A 17 2.283 9.908 2.824 1.00 0.00 C ATOM 263 CD2 TYR A 17 1.286 11.028 0.977 1.00 0.00 C ATOM 264 CE1 TYR A 17 3.511 10.429 2.485 1.00 0.00 C ATOM 265 CE2 TYR A 17 2.517 11.555 0.627 1.00 0.00 C ATOM 266 CZ TYR A 17 3.627 11.246 1.386 1.00 0.00 C ATOM 267 OH TYR A 17 4.858 11.749 1.051 1.00 0.00 O ATOM 0 H TYR A 17 0.637 10.299 4.780 1.00 0.00 H new ATOM 0 HA TYR A 17 -1.247 11.445 2.864 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.068 8.664 2.927 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -0.800 9.495 1.568 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.200 9.261 3.685 1.00 0.00 H new ATOM 0 HD2 TYR A 17 0.417 11.267 0.381 1.00 0.00 H new ATOM 0 HE1 TYR A 17 4.381 10.196 3.081 1.00 0.00 H new ATOM 0 HE2 TYR A 17 2.608 12.202 -0.233 1.00 0.00 H new ATOM 0 HH TYR A 17 4.745 12.544 0.489 1.00 0.00 H new ATOM 277 N GLY A 18 -2.273 9.869 5.298 1.00 0.00 N ATOM 278 CA GLY A 18 -3.423 9.330 5.987 1.00 0.00 C ATOM 279 C GLY A 18 -3.838 7.925 5.608 1.00 0.00 C ATOM 280 O GLY A 18 -4.999 7.696 5.334 1.00 0.00 O ATOM 0 H GLY A 18 -1.544 10.222 5.918 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.219 9.349 7.058 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.269 9.995 5.812 1.00 0.00 H new ATOM 284 N PHE A 19 -2.913 6.995 5.593 1.00 0.00 N ATOM 285 CA PHE A 19 -3.251 5.594 5.317 1.00 0.00 C ATOM 286 C PHE A 19 -2.138 4.640 5.725 1.00 0.00 C ATOM 287 O PHE A 19 -0.956 4.953 5.674 1.00 0.00 O ATOM 288 CB PHE A 19 -3.636 5.351 3.856 1.00 0.00 C ATOM 289 CG PHE A 19 -2.469 5.269 2.917 1.00 0.00 C ATOM 290 CD1 PHE A 19 -1.764 6.400 2.552 1.00 0.00 C ATOM 291 CD2 PHE A 19 -2.072 4.042 2.411 1.00 0.00 C ATOM 292 CE1 PHE A 19 -0.684 6.309 1.693 1.00 0.00 C ATOM 293 CE2 PHE A 19 -0.995 3.946 1.556 1.00 0.00 C ATOM 294 CZ PHE A 19 -0.300 5.081 1.197 1.00 0.00 C ATOM 0 H PHE A 19 -1.923 7.168 5.766 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.127 5.386 5.932 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.205 4.424 3.792 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.296 6.154 3.528 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.059 7.363 2.941 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.613 3.150 2.690 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.142 7.199 1.411 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.696 2.983 1.168 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.545 5.009 0.528 1.00 0.00 H new ATOM 304 N THR A 20 -2.576 3.478 6.156 1.00 0.00 N ATOM 305 CA THR A 20 -1.697 2.406 6.641 1.00 0.00 C ATOM 306 C THR A 20 -1.307 1.394 5.554 1.00 0.00 C ATOM 307 O THR A 20 -2.178 0.735 4.989 1.00 0.00 O ATOM 308 CB THR A 20 -2.404 1.653 7.786 1.00 0.00 C ATOM 309 OG1 THR A 20 -2.824 2.588 8.782 1.00 0.00 O ATOM 310 CG2 THR A 20 -1.503 0.594 8.413 1.00 0.00 C ATOM 0 H THR A 20 -3.566 3.235 6.185 1.00 0.00 H new ATOM 0 HA THR A 20 -0.778 2.884 6.979 1.00 0.00 H new ATOM 0 HB THR A 20 -3.269 1.139 7.367 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.584 3.107 8.444 1.00 0.00 H new ATOM 0 HG21 THR A 20 -2.040 0.088 9.215 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.214 -0.133 7.654 1.00 0.00 H new ATOM 0 HG23 THR A 20 -0.610 1.070 8.818 1.00 0.00 H new ATOM 318 N LEU A 21 -0.003 1.262 5.275 1.00 0.00 N ATOM 319 CA LEU A 21 0.472 0.289 4.287 1.00 0.00 C ATOM 320 C LEU A 21 0.826 -1.031 4.973 1.00 0.00 C ATOM 321 O LEU A 21 1.977 -1.263 5.334 1.00 0.00 O ATOM 322 CB LEU A 21 1.690 0.808 3.492 1.00 0.00 C ATOM 323 CG LEU A 21 1.724 0.421 2.011 1.00 0.00 C ATOM 324 CD1 LEU A 21 0.371 -0.081 1.531 1.00 0.00 C ATOM 325 CD2 LEU A 21 2.164 1.606 1.178 1.00 0.00 C ATOM 0 H LEU A 21 0.734 1.812 5.716 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.340 0.130 3.578 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.714 1.895 3.566 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.598 0.436 3.968 1.00 0.00 H new ATOM 0 HG LEU A 21 2.440 -0.392 1.894 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.435 -0.346 0.476 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.083 -0.959 2.109 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.376 0.702 1.664 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.186 1.323 0.126 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.463 2.429 1.318 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.160 1.920 1.490 1.00 0.00 H new ATOM 337 N ARG A 22 -0.179 -1.870 5.184 1.00 0.00 N ATOM 338 CA ARG A 22 0.020 -3.163 5.833 1.00 0.00 C ATOM 339 C ARG A 22 0.799 -4.121 4.928 1.00 0.00 C ATOM 340 O ARG A 22 0.353 -4.420 3.818 1.00 0.00 O ATOM 341 CB ARG A 22 -1.333 -3.785 6.177 1.00 0.00 C ATOM 342 CG ARG A 22 -1.360 -4.478 7.526 1.00 0.00 C ATOM 343 CD ARG A 22 -1.295 -3.471 8.660 1.00 0.00 C ATOM 344 NE ARG A 22 -1.423 -4.115 9.962 1.00 0.00 N ATOM 345 CZ ARG A 22 -1.504 -3.456 11.114 1.00 0.00 C ATOM 346 NH1 ARG A 22 -1.493 -2.128 11.138 1.00 0.00 N ATOM 347 NH2 ARG A 22 -1.604 -4.130 12.247 1.00 0.00 N ATOM 0 H ARG A 22 -1.144 -1.679 4.915 1.00 0.00 H new ATOM 0 HA ARG A 22 0.596 -2.997 6.743 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -2.095 -3.006 6.163 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.599 -4.505 5.403 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.270 -5.072 7.615 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.520 -5.169 7.600 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.350 -2.931 8.613 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.089 -2.735 8.539 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.452 -5.134 9.991 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.422 -1.603 10.267 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.556 -1.633 12.028 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.619 -5.150 12.234 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.666 -3.630 13.134 1.00 0.00 H new ATOM 561 N VAL A 36 5.050 -10.807 -2.096 1.00 0.00 N ATOM 562 CA VAL A 36 5.087 -9.697 -1.157 1.00 0.00 C ATOM 563 C VAL A 36 4.095 -8.613 -1.565 1.00 0.00 C ATOM 564 O VAL A 36 4.393 -7.782 -2.428 1.00 0.00 O ATOM 565 CB VAL A 36 6.495 -9.082 -1.048 1.00 0.00 C ATOM 566 CG1 VAL A 36 6.606 -8.219 0.199 1.00 0.00 C ATOM 567 CG2 VAL A 36 7.563 -10.165 -1.051 1.00 0.00 C ATOM 0 HA VAL A 36 4.811 -10.099 -0.182 1.00 0.00 H new ATOM 0 HB VAL A 36 6.657 -8.448 -1.920 1.00 0.00 H new ATOM 0 HG11 VAL A 36 7.608 -7.793 0.259 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.872 -7.415 0.151 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.418 -8.830 1.082 1.00 0.00 H new ATOM 0 HG21 VAL A 36 8.548 -9.705 -0.973 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.406 -10.833 -0.204 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.501 -10.735 -1.978 1.00 0.00 H new ATOM 577 N HIS A 37 2.921 -8.628 -0.947 1.00 0.00 N ATOM 578 CA HIS A 37 1.886 -7.648 -1.249 1.00 0.00 C ATOM 579 C HIS A 37 1.690 -6.695 -0.082 1.00 0.00 C ATOM 580 O HIS A 37 2.284 -6.867 0.985 1.00 0.00 O ATOM 581 CB HIS A 37 0.550 -8.330 -1.568 1.00 0.00 C ATOM 582 CG HIS A 37 0.558 -9.145 -2.821 1.00 0.00 C ATOM 583 ND1 HIS A 37 1.360 -8.822 -3.883 1.00 0.00 N ATOM 584 CD2 HIS A 37 -0.162 -10.249 -3.132 1.00 0.00 C ATOM 585 CE1 HIS A 37 1.115 -9.727 -4.811 1.00 0.00 C ATOM 586 NE2 HIS A 37 0.198 -10.614 -4.402 1.00 0.00 N ATOM 0 H HIS A 37 2.662 -9.309 -0.233 1.00 0.00 H new ATOM 0 HA HIS A 37 2.217 -7.089 -2.124 1.00 0.00 H new ATOM 0 HB2 HIS A 37 0.275 -8.973 -0.732 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -0.224 -7.567 -1.650 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -0.882 -10.746 -2.500 1.00 0.00 H new ATOM 0 HE1 HIS A 37 1.594 -9.750 -5.779 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -0.162 -11.407 -4.933 1.00 0.00 H new ATOM 594 N HIS A 38 0.806 -5.726 -0.284 1.00 0.00 N ATOM 595 CA HIS A 38 0.495 -4.719 0.722 1.00 0.00 C ATOM 596 C HIS A 38 -0.945 -4.273 0.536 1.00 0.00 C ATOM 597 O HIS A 38 -1.469 -4.312 -0.579 1.00 0.00 O ATOM 598 CB HIS A 38 1.418 -3.494 0.598 1.00 0.00 C ATOM 599 CG HIS A 38 2.876 -3.794 0.773 1.00 0.00 C ATOM 600 ND1 HIS A 38 3.405 -4.099 1.998 1.00 0.00 N ATOM 601 CD2 HIS A 38 3.858 -3.837 -0.155 1.00 0.00 C ATOM 602 CE1 HIS A 38 4.688 -4.331 1.791 1.00 0.00 C ATOM 603 NE2 HIS A 38 5.011 -4.185 0.502 1.00 0.00 N ATOM 0 H HIS A 38 0.283 -5.616 -1.153 1.00 0.00 H new ATOM 0 HA HIS A 38 0.644 -5.159 1.708 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.268 -3.040 -0.382 1.00 0.00 H new ATOM 0 HB3 HIS A 38 1.121 -2.754 1.341 1.00 0.00 H new ATOM 0 HD2 HIS A 38 3.755 -3.636 -1.211 1.00 0.00 H new ATOM 0 HE1 HIS A 38 5.389 -4.604 2.566 1.00 0.00 H new ATOM 0 HE2 HIS A 38 5.935 -4.308 0.088 1.00 0.00 H new ATOM 611 N MET A 39 -1.575 -3.824 1.607 1.00 0.00 N ATOM 612 CA MET A 39 -2.969 -3.394 1.548 1.00 0.00 C ATOM 613 C MET A 39 -3.206 -2.266 2.536 1.00 0.00 C ATOM 614 O MET A 39 -2.643 -2.264 3.632 1.00 0.00 O ATOM 615 CB MET A 39 -3.922 -4.556 1.885 1.00 0.00 C ATOM 616 CG MET A 39 -3.990 -5.639 0.818 1.00 0.00 C ATOM 617 SD MET A 39 -5.561 -6.529 0.808 1.00 0.00 S ATOM 618 CE MET A 39 -5.404 -7.534 2.283 1.00 0.00 C ATOM 0 H MET A 39 -1.147 -3.746 2.530 1.00 0.00 H new ATOM 0 HA MET A 39 -3.170 -3.053 0.533 1.00 0.00 H new ATOM 0 HB2 MET A 39 -3.607 -5.008 2.825 1.00 0.00 H new ATOM 0 HB3 MET A 39 -4.923 -4.155 2.044 1.00 0.00 H new ATOM 0 HG2 MET A 39 -3.830 -5.187 -0.161 1.00 0.00 H new ATOM 0 HG3 MET A 39 -3.178 -6.349 0.978 1.00 0.00 H new ATOM 0 HE1 MET A 39 -6.302 -8.140 2.408 1.00 0.00 H new ATOM 0 HE2 MET A 39 -4.536 -8.187 2.188 1.00 0.00 H new ATOM 0 HE3 MET A 39 -5.278 -6.888 3.152 1.00 0.00 H new ATOM 628 N VAL A 40 -4.018 -1.293 2.144 1.00 0.00 N ATOM 629 CA VAL A 40 -4.312 -0.179 3.021 1.00 0.00 C ATOM 630 C VAL A 40 -5.241 -0.636 4.137 1.00 0.00 C ATOM 631 O VAL A 40 -6.444 -0.838 3.945 1.00 0.00 O ATOM 632 CB VAL A 40 -4.891 1.038 2.272 1.00 0.00 C ATOM 633 CG1 VAL A 40 -6.025 0.635 1.352 1.00 0.00 C ATOM 634 CG2 VAL A 40 -5.341 2.105 3.259 1.00 0.00 C ATOM 0 H VAL A 40 -4.478 -1.256 1.234 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.370 0.158 3.452 1.00 0.00 H new ATOM 0 HB VAL A 40 -4.101 1.456 1.649 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.409 1.517 0.840 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -5.659 -0.081 0.616 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.823 0.178 1.937 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.747 2.957 2.714 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.109 1.694 3.914 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.490 2.430 3.857 1.00 0.00 H new ATOM 644 N TRP A 41 -4.643 -0.819 5.297 1.00 0.00 N ATOM 645 CA TRP A 41 -5.342 -1.285 6.480 1.00 0.00 C ATOM 646 C TRP A 41 -6.297 -0.245 7.007 1.00 0.00 C ATOM 647 O TRP A 41 -7.393 -0.560 7.471 1.00 0.00 O ATOM 648 CB TRP A 41 -4.322 -1.607 7.560 1.00 0.00 C ATOM 649 CG TRP A 41 -4.802 -2.607 8.557 1.00 0.00 C ATOM 650 CD1 TRP A 41 -4.752 -2.484 9.911 1.00 0.00 C ATOM 651 CD2 TRP A 41 -5.410 -3.873 8.285 1.00 0.00 C ATOM 652 NE1 TRP A 41 -5.283 -3.598 10.504 1.00 0.00 N ATOM 653 CE2 TRP A 41 -5.696 -4.469 9.527 1.00 0.00 C ATOM 654 CE3 TRP A 41 -5.738 -4.564 7.114 1.00 0.00 C ATOM 655 CZ2 TRP A 41 -6.298 -5.720 9.630 1.00 0.00 C ATOM 656 CZ3 TRP A 41 -6.332 -5.806 7.217 1.00 0.00 C ATOM 657 CH2 TRP A 41 -6.608 -6.372 8.468 1.00 0.00 C ATOM 0 H TRP A 41 -3.649 -0.647 5.447 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.917 -2.170 6.209 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -3.414 -1.983 7.089 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.054 -0.688 8.080 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -4.352 -1.632 10.441 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -5.359 -3.755 11.509 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.530 -4.133 6.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -6.513 -6.160 10.593 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -6.588 -6.349 6.319 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -7.076 -7.344 8.516 1.00 0.00 H new ATOM 668 N HIS A 42 -5.876 0.994 6.920 1.00 0.00 N ATOM 669 CA HIS A 42 -6.672 2.095 7.423 1.00 0.00 C ATOM 670 C HIS A 42 -6.270 3.400 6.781 1.00 0.00 C ATOM 671 O HIS A 42 -5.102 3.771 6.800 1.00 0.00 O ATOM 672 CB HIS A 42 -6.464 2.210 8.926 1.00 0.00 C ATOM 673 CG HIS A 42 -7.654 2.710 9.683 1.00 0.00 C ATOM 674 ND1 HIS A 42 -8.540 1.845 10.276 1.00 0.00 N ATOM 675 CD2 HIS A 42 -8.037 3.984 9.944 1.00 0.00 C ATOM 676 CE1 HIS A 42 -9.435 2.604 10.883 1.00 0.00 C ATOM 677 NE2 HIS A 42 -9.173 3.907 10.709 1.00 0.00 N ATOM 0 H HIS A 42 -4.985 1.268 6.505 1.00 0.00 H new ATOM 0 HA HIS A 42 -7.718 1.897 7.187 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -6.186 1.231 9.317 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -5.624 2.878 9.113 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -7.543 4.886 9.613 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -10.272 2.223 11.448 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -9.714 4.690 11.075 1.00 0.00 H new ATOM 685 N VAL A 43 -7.234 4.083 6.206 1.00 0.00 N ATOM 686 CA VAL A 43 -6.976 5.364 5.587 1.00 0.00 C ATOM 687 C VAL A 43 -7.843 6.435 6.239 1.00 0.00 C ATOM 688 O VAL A 43 -9.064 6.299 6.344 1.00 0.00 O ATOM 689 CB VAL A 43 -7.173 5.331 4.055 1.00 0.00 C ATOM 690 CG1 VAL A 43 -8.527 4.792 3.691 1.00 0.00 C ATOM 691 CG2 VAL A 43 -6.975 6.700 3.446 1.00 0.00 C ATOM 0 H VAL A 43 -8.204 3.773 6.154 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.927 5.610 5.750 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.416 4.662 3.647 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.635 4.781 2.606 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.630 3.777 4.076 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -9.300 5.425 4.126 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.120 6.643 2.367 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.697 7.396 3.873 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.965 7.050 3.658 1.00 0.00 H new ATOM 701 N GLU A 44 -7.174 7.465 6.715 1.00 0.00 N ATOM 702 CA GLU A 44 -7.800 8.577 7.393 1.00 0.00 C ATOM 703 C GLU A 44 -8.740 9.345 6.476 1.00 0.00 C ATOM 704 O GLU A 44 -8.299 10.053 5.564 1.00 0.00 O ATOM 705 CB GLU A 44 -6.716 9.510 7.919 1.00 0.00 C ATOM 706 CG GLU A 44 -6.249 9.184 9.325 1.00 0.00 C ATOM 707 CD GLU A 44 -5.165 10.128 9.797 1.00 0.00 C ATOM 708 OE1 GLU A 44 -3.982 9.887 9.475 1.00 0.00 O ATOM 709 OE2 GLU A 44 -5.491 11.121 10.481 1.00 0.00 O ATOM 0 H GLU A 44 -6.161 7.552 6.639 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.396 8.183 8.216 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.860 9.472 7.245 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.091 10.533 7.900 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.096 9.234 10.009 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.876 8.160 9.355 1.00 0.00 H new ATOM 716 N ASP A 45 -10.034 9.217 6.732 1.00 0.00 N ATOM 717 CA ASP A 45 -11.047 9.910 5.951 1.00 0.00 C ATOM 718 C ASP A 45 -11.200 11.340 6.460 1.00 0.00 C ATOM 719 O ASP A 45 -12.303 11.820 6.712 1.00 0.00 O ATOM 720 CB ASP A 45 -12.385 9.157 6.009 1.00 0.00 C ATOM 721 CG ASP A 45 -12.888 8.931 7.425 1.00 0.00 C ATOM 722 OD1 ASP A 45 -12.249 8.154 8.170 1.00 0.00 O ATOM 723 OD2 ASP A 45 -13.934 9.513 7.791 1.00 0.00 O ATOM 0 H ASP A 45 -10.409 8.635 7.481 1.00 0.00 H new ATOM 0 HA ASP A 45 -10.731 9.943 4.908 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -13.134 9.718 5.450 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -12.273 8.193 5.513 1.00 0.00 H new ATOM 728 N GLY A 46 -10.071 12.020 6.605 1.00 0.00 N ATOM 729 CA GLY A 46 -10.088 13.379 7.097 1.00 0.00 C ATOM 730 C GLY A 46 -9.274 14.335 6.253 1.00 0.00 C ATOM 731 O GLY A 46 -8.987 15.449 6.692 1.00 0.00 O ATOM 0 H GLY A 46 -9.144 11.653 6.390 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -11.119 13.730 7.137 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.706 13.393 8.118 1.00 0.00 H new ATOM 735 N GLY A 47 -8.882 13.922 5.051 1.00 0.00 N ATOM 736 CA GLY A 47 -8.116 14.824 4.210 1.00 0.00 C ATOM 737 C GLY A 47 -7.266 14.149 3.142 1.00 0.00 C ATOM 738 O GLY A 47 -7.546 14.299 1.957 1.00 0.00 O ATOM 0 H GLY A 47 -9.075 13.003 4.652 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.805 15.513 3.722 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.464 15.423 4.846 1.00 0.00 H new ATOM 742 N PRO A 48 -6.203 13.426 3.534 1.00 0.00 N ATOM 743 CA PRO A 48 -5.268 12.760 2.595 1.00 0.00 C ATOM 744 C PRO A 48 -5.858 11.697 1.640 1.00 0.00 C ATOM 745 O PRO A 48 -6.849 11.933 0.947 1.00 0.00 O ATOM 746 CB PRO A 48 -4.267 12.104 3.541 1.00 0.00 C ATOM 747 CG PRO A 48 -4.316 12.925 4.766 1.00 0.00 C ATOM 748 CD PRO A 48 -5.766 13.236 4.933 1.00 0.00 C ATOM 0 HA PRO A 48 -4.876 13.497 1.894 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -4.537 11.068 3.747 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -3.265 12.093 3.112 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -3.922 12.383 5.626 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -3.722 13.833 4.662 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -6.304 12.424 5.422 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -5.925 14.131 5.535 1.00 0.00 H new ATOM 756 N ALA A 49 -5.201 10.524 1.616 1.00 0.00 N ATOM 757 CA ALA A 49 -5.540 9.403 0.733 1.00 0.00 C ATOM 758 C ALA A 49 -7.037 9.134 0.592 1.00 0.00 C ATOM 759 O ALA A 49 -7.505 8.856 -0.511 1.00 0.00 O ATOM 760 CB ALA A 49 -4.794 8.139 1.182 1.00 0.00 C ATOM 0 H ALA A 49 -4.405 10.329 2.223 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.213 9.696 -0.265 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.051 7.311 0.521 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.719 8.317 1.140 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.081 7.891 2.204 1.00 0.00 H new ATOM 766 N SER A 50 -7.796 9.259 1.671 1.00 0.00 N ATOM 767 CA SER A 50 -9.228 8.992 1.609 1.00 0.00 C ATOM 768 C SER A 50 -9.939 9.945 0.654 1.00 0.00 C ATOM 769 O SER A 50 -10.603 9.511 -0.286 1.00 0.00 O ATOM 770 CB SER A 50 -9.838 9.098 2.995 1.00 0.00 C ATOM 771 OG SER A 50 -9.895 7.833 3.630 1.00 0.00 O ATOM 0 H SER A 50 -7.452 9.540 2.589 1.00 0.00 H new ATOM 0 HA SER A 50 -9.360 7.979 1.229 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.250 9.786 3.602 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.842 9.516 2.922 1.00 0.00 H new ATOM 0 HG SER A 50 -10.797 7.684 3.982 1.00 0.00 H new ATOM 777 N GLU A 51 -9.787 11.242 0.894 1.00 0.00 N ATOM 778 CA GLU A 51 -10.419 12.253 0.053 1.00 0.00 C ATOM 779 C GLU A 51 -9.874 12.180 -1.366 1.00 0.00 C ATOM 780 O GLU A 51 -10.552 12.535 -2.331 1.00 0.00 O ATOM 781 CB GLU A 51 -10.205 13.647 0.631 1.00 0.00 C ATOM 782 CG GLU A 51 -10.830 13.844 2.002 1.00 0.00 C ATOM 783 CD GLU A 51 -12.302 14.186 1.929 1.00 0.00 C ATOM 784 OE1 GLU A 51 -13.132 13.255 1.926 1.00 0.00 O ATOM 785 OE2 GLU A 51 -12.637 15.388 1.883 1.00 0.00 O ATOM 0 H GLU A 51 -9.233 11.619 1.663 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.490 12.053 0.026 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.135 13.842 0.698 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -10.621 14.383 -0.057 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.701 12.935 2.590 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.302 14.640 2.527 1.00 0.00 H new ATOM 792 N ALA A 52 -8.633 11.730 -1.477 1.00 0.00 N ATOM 793 CA ALA A 52 -7.985 11.582 -2.766 1.00 0.00 C ATOM 794 C ALA A 52 -8.699 10.528 -3.607 1.00 0.00 C ATOM 795 O ALA A 52 -8.704 10.601 -4.837 1.00 0.00 O ATOM 796 CB ALA A 52 -6.524 11.215 -2.571 1.00 0.00 C ATOM 0 H ALA A 52 -8.053 11.460 -0.682 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.039 12.531 -3.299 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.043 11.105 -3.543 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.024 12.001 -2.006 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -6.455 10.275 -2.024 1.00 0.00 H new ATOM 802 N GLY A 53 -9.315 9.560 -2.932 1.00 0.00 N ATOM 803 CA GLY A 53 -10.028 8.509 -3.623 1.00 0.00 C ATOM 804 C GLY A 53 -9.670 7.123 -3.121 1.00 0.00 C ATOM 805 O GLY A 53 -10.253 6.130 -3.559 1.00 0.00 O ATOM 0 H GLY A 53 -9.330 9.489 -1.915 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.100 8.667 -3.506 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -9.812 8.571 -4.690 1.00 0.00 H new ATOM 809 N LEU A 54 -8.701 7.044 -2.217 1.00 0.00 N ATOM 810 CA LEU A 54 -8.277 5.759 -1.677 1.00 0.00 C ATOM 811 C LEU A 54 -9.329 5.170 -0.753 1.00 0.00 C ATOM 812 O LEU A 54 -9.590 5.691 0.334 1.00 0.00 O ATOM 813 CB LEU A 54 -6.942 5.863 -0.941 1.00 0.00 C ATOM 814 CG LEU A 54 -6.075 4.601 -0.987 1.00 0.00 C ATOM 815 CD1 LEU A 54 -4.744 4.832 -0.303 1.00 0.00 C ATOM 816 CD2 LEU A 54 -6.784 3.441 -0.336 1.00 0.00 C ATOM 0 H LEU A 54 -8.197 7.849 -1.845 1.00 0.00 H new ATOM 0 HA LEU A 54 -8.147 5.093 -2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.374 6.691 -1.366 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.138 6.113 0.102 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.894 4.364 -2.035 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.148 3.921 -0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.212 5.640 -0.806 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.913 5.102 0.739 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.150 2.556 -0.380 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.997 3.683 0.705 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.718 3.244 -0.862 1.00 0.00 H new ATOM 828 N ARG A 55 -9.919 4.080 -1.196 1.00 0.00 N ATOM 829 CA ARG A 55 -10.922 3.386 -0.415 1.00 0.00 C ATOM 830 C ARG A 55 -10.254 2.321 0.451 1.00 0.00 C ATOM 831 O ARG A 55 -9.551 1.447 -0.059 1.00 0.00 O ATOM 832 CB ARG A 55 -11.999 2.775 -1.323 1.00 0.00 C ATOM 833 CG ARG A 55 -11.462 1.884 -2.434 1.00 0.00 C ATOM 834 CD ARG A 55 -11.676 0.410 -2.119 1.00 0.00 C ATOM 835 NE ARG A 55 -13.080 0.100 -1.852 1.00 0.00 N ATOM 836 CZ ARG A 55 -13.649 -1.082 -2.086 1.00 0.00 C ATOM 837 NH1 ARG A 55 -12.957 -2.061 -2.661 1.00 0.00 N ATOM 838 NH2 ARG A 55 -14.923 -1.271 -1.769 1.00 0.00 N ATOM 0 H ARG A 55 -9.719 3.652 -2.100 1.00 0.00 H new ATOM 0 HA ARG A 55 -11.420 4.102 0.239 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -12.686 2.193 -0.709 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.578 3.582 -1.771 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.957 2.132 -3.373 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -10.398 2.077 -2.574 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -11.325 -0.193 -2.956 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -11.074 0.134 -1.253 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.664 0.839 -1.460 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -11.984 -1.910 -2.926 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -13.399 -2.963 -2.837 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -15.462 -0.514 -1.349 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -15.364 -2.174 -1.946 1.00 0.00 H new ATOM 852 N GLN A 56 -10.429 2.438 1.761 1.00 0.00 N ATOM 853 CA GLN A 56 -9.865 1.483 2.716 1.00 0.00 C ATOM 854 C GLN A 56 -10.177 0.035 2.331 1.00 0.00 C ATOM 855 O GLN A 56 -11.284 -0.276 1.887 1.00 0.00 O ATOM 856 CB GLN A 56 -10.411 1.777 4.107 1.00 0.00 C ATOM 857 CG GLN A 56 -9.681 1.077 5.210 1.00 0.00 C ATOM 858 CD GLN A 56 -9.887 1.743 6.555 1.00 0.00 C ATOM 859 OE1 GLN A 56 -9.951 2.969 6.646 1.00 0.00 O ATOM 860 NE2 GLN A 56 -10.002 0.945 7.600 1.00 0.00 N ATOM 0 H GLN A 56 -10.962 3.192 2.193 1.00 0.00 H new ATOM 0 HA GLN A 56 -8.781 1.598 2.705 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -10.369 2.852 4.283 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -11.462 1.490 4.141 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -10.018 0.042 5.265 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.616 1.053 4.979 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -9.943 -0.066 7.479 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -10.150 1.339 8.529 1.00 0.00 H new ATOM 869 N GLY A 57 -9.201 -0.845 2.525 1.00 0.00 N ATOM 870 CA GLY A 57 -9.382 -2.250 2.196 1.00 0.00 C ATOM 871 C GLY A 57 -8.949 -2.592 0.780 1.00 0.00 C ATOM 872 O GLY A 57 -9.264 -3.670 0.273 1.00 0.00 O ATOM 0 H GLY A 57 -8.284 -0.611 2.905 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.814 -2.858 2.900 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -10.432 -2.514 2.322 1.00 0.00 H new ATOM 876 N ASP A 58 -8.224 -1.683 0.146 1.00 0.00 N ATOM 877 CA ASP A 58 -7.742 -1.890 -1.217 1.00 0.00 C ATOM 878 C ASP A 58 -6.326 -2.450 -1.219 1.00 0.00 C ATOM 879 O ASP A 58 -5.546 -2.208 -0.294 1.00 0.00 O ATOM 880 CB ASP A 58 -7.774 -0.581 -1.998 1.00 0.00 C ATOM 881 CG ASP A 58 -8.170 -0.798 -3.438 1.00 0.00 C ATOM 882 OD1 ASP A 58 -7.702 -1.779 -4.045 1.00 0.00 O ATOM 883 OD2 ASP A 58 -8.962 0.007 -3.967 1.00 0.00 O ATOM 0 H ASP A 58 -7.954 -0.788 0.554 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.403 -2.612 -1.696 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.477 0.106 -1.527 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.792 -0.110 -1.958 1.00 0.00 H new ATOM 888 N LEU A 59 -6.008 -3.197 -2.262 1.00 0.00 N ATOM 889 CA LEU A 59 -4.692 -3.792 -2.410 1.00 0.00 C ATOM 890 C LEU A 59 -3.853 -2.925 -3.332 1.00 0.00 C ATOM 891 O LEU A 59 -4.294 -2.550 -4.421 1.00 0.00 O ATOM 892 CB LEU A 59 -4.804 -5.220 -2.963 1.00 0.00 C ATOM 893 CG LEU A 59 -3.508 -5.813 -3.527 1.00 0.00 C ATOM 894 CD1 LEU A 59 -2.692 -6.478 -2.428 1.00 0.00 C ATOM 895 CD2 LEU A 59 -3.813 -6.810 -4.630 1.00 0.00 C ATOM 0 H LEU A 59 -6.651 -3.407 -3.026 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.211 -3.849 -1.434 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.165 -5.872 -2.167 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.559 -5.228 -3.749 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.919 -4.997 -3.946 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.777 -6.891 -2.853 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.437 -5.740 -1.667 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.276 -7.279 -1.976 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.881 -7.220 -5.018 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.426 -7.618 -4.231 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.351 -6.309 -5.435 1.00 0.00 H new ATOM 907 N ILE A 60 -2.653 -2.599 -2.891 1.00 0.00 N ATOM 908 CA ILE A 60 -1.760 -1.762 -3.669 1.00 0.00 C ATOM 909 C ILE A 60 -0.949 -2.617 -4.630 1.00 0.00 C ATOM 910 O ILE A 60 -0.290 -3.574 -4.223 1.00 0.00 O ATOM 911 CB ILE A 60 -0.808 -0.936 -2.770 1.00 0.00 C ATOM 912 CG1 ILE A 60 -1.597 0.053 -1.905 1.00 0.00 C ATOM 913 CG2 ILE A 60 0.207 -0.178 -3.621 1.00 0.00 C ATOM 914 CD1 ILE A 60 -2.283 -0.560 -0.702 1.00 0.00 C ATOM 0 H ILE A 60 -2.273 -2.903 -1.994 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.377 -1.060 -4.231 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.279 -1.629 -2.116 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.919 0.833 -1.560 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.350 0.537 -2.527 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.868 0.397 -2.973 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.796 -0.887 -4.203 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.317 0.498 -4.296 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.815 0.216 -0.152 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.991 -1.319 -1.034 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.537 -1.019 -0.052 1.00 0.00 H new ATOM 926 N THR A 61 -1.031 -2.286 -5.904 1.00 0.00 N ATOM 927 CA THR A 61 -0.317 -3.015 -6.927 1.00 0.00 C ATOM 928 C THR A 61 0.954 -2.269 -7.338 1.00 0.00 C ATOM 929 O THR A 61 2.002 -2.878 -7.579 1.00 0.00 O ATOM 930 CB THR A 61 -1.220 -3.231 -8.157 1.00 0.00 C ATOM 931 OG1 THR A 61 -1.541 -1.968 -8.754 1.00 0.00 O ATOM 932 CG2 THR A 61 -2.509 -3.934 -7.756 1.00 0.00 C ATOM 0 H THR A 61 -1.591 -1.509 -6.255 1.00 0.00 H new ATOM 0 HA THR A 61 -0.033 -3.985 -6.519 1.00 0.00 H new ATOM 0 HB THR A 61 -0.682 -3.852 -8.873 1.00 0.00 H new ATOM 0 HG1 THR A 61 -0.933 -1.796 -9.503 1.00 0.00 H new ATOM 0 HG21 THR A 61 -3.134 -4.078 -8.637 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.273 -4.903 -7.316 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.044 -3.325 -7.027 1.00 0.00 H new ATOM 940 N HIS A 62 0.856 -0.943 -7.392 1.00 0.00 N ATOM 941 CA HIS A 62 1.975 -0.098 -7.795 1.00 0.00 C ATOM 942 C HIS A 62 1.999 1.192 -6.990 1.00 0.00 C ATOM 943 O HIS A 62 1.005 1.570 -6.375 1.00 0.00 O ATOM 944 CB HIS A 62 1.864 0.274 -9.280 1.00 0.00 C ATOM 945 CG HIS A 62 1.756 -0.890 -10.214 1.00 0.00 C ATOM 946 ND1 HIS A 62 0.534 -1.324 -10.666 1.00 0.00 N ATOM 947 CD2 HIS A 62 2.727 -1.660 -10.758 1.00 0.00 C ATOM 948 CE1 HIS A 62 0.785 -2.341 -11.470 1.00 0.00 C ATOM 949 NE2 HIS A 62 2.100 -2.582 -11.557 1.00 0.00 N ATOM 0 H HIS A 62 0.006 -0.428 -7.160 1.00 0.00 H new ATOM 0 HA HIS A 62 2.888 -0.665 -7.615 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.991 0.912 -9.416 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.737 0.865 -9.558 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.790 -1.567 -10.595 1.00 0.00 H new ATOM 0 HE1 HIS A 62 0.027 -2.907 -11.991 1.00 0.00 H new ATOM 0 HE2 HIS A 62 2.549 -3.311 -12.111 1.00 0.00 H new ATOM 957 N VAL A 63 3.137 1.863 -7.002 1.00 0.00 N ATOM 958 CA VAL A 63 3.285 3.131 -6.315 1.00 0.00 C ATOM 959 C VAL A 63 4.185 4.063 -7.126 1.00 0.00 C ATOM 960 O VAL A 63 5.349 3.761 -7.376 1.00 0.00 O ATOM 961 CB VAL A 63 3.836 2.958 -4.882 1.00 0.00 C ATOM 962 CG1 VAL A 63 5.214 2.309 -4.879 1.00 0.00 C ATOM 963 CG2 VAL A 63 3.861 4.299 -4.163 1.00 0.00 C ATOM 0 H VAL A 63 3.978 1.546 -7.485 1.00 0.00 H new ATOM 0 HA VAL A 63 2.293 3.574 -6.225 1.00 0.00 H new ATOM 0 HB VAL A 63 3.167 2.286 -4.345 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.565 2.206 -3.852 1.00 0.00 H new ATOM 0 HG12 VAL A 63 5.153 1.324 -5.343 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.911 2.932 -5.440 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.251 4.164 -3.154 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.500 4.993 -4.709 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.850 4.702 -4.110 1.00 0.00 H new ATOM 973 N ASN A 64 3.611 5.171 -7.584 1.00 0.00 N ATOM 974 CA ASN A 64 4.341 6.167 -8.372 1.00 0.00 C ATOM 975 C ASN A 64 4.925 5.553 -9.642 1.00 0.00 C ATOM 976 O ASN A 64 5.891 6.066 -10.206 1.00 0.00 O ATOM 977 CB ASN A 64 5.463 6.789 -7.538 1.00 0.00 C ATOM 978 CG ASN A 64 5.271 8.276 -7.317 1.00 0.00 C ATOM 979 OD1 ASN A 64 4.141 8.774 -7.275 1.00 0.00 O ATOM 980 ND2 ASN A 64 6.371 8.997 -7.167 1.00 0.00 N ATOM 0 H ASN A 64 2.632 5.406 -7.422 1.00 0.00 H new ATOM 0 HA ASN A 64 3.632 6.943 -8.660 1.00 0.00 H new ATOM 0 HB2 ASN A 64 5.514 6.286 -6.572 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.417 6.620 -8.037 1.00 0.00 H new ATOM 0 HD21 ASN A 64 6.304 10.003 -7.010 1.00 0.00 H new ATOM 0 HD22 ASN A 64 7.285 8.547 -7.208 1.00 0.00 H new ATOM 987 N GLY A 65 4.321 4.466 -10.099 1.00 0.00 N ATOM 988 CA GLY A 65 4.809 3.795 -11.283 1.00 0.00 C ATOM 989 C GLY A 65 5.955 2.862 -10.960 1.00 0.00 C ATOM 990 O GLY A 65 6.943 2.794 -11.690 1.00 0.00 O ATOM 0 H GLY A 65 3.501 4.037 -9.670 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.998 3.231 -11.743 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.136 4.535 -12.013 1.00 0.00 H new ATOM 994 N GLU A 66 5.814 2.147 -9.858 1.00 0.00 N ATOM 995 CA GLU A 66 6.804 1.217 -9.398 1.00 0.00 C ATOM 996 C GLU A 66 6.121 0.107 -8.607 1.00 0.00 C ATOM 997 O GLU A 66 5.563 0.353 -7.536 1.00 0.00 O ATOM 998 CB GLU A 66 7.795 1.943 -8.509 1.00 0.00 C ATOM 999 CG GLU A 66 9.220 1.418 -8.611 1.00 0.00 C ATOM 1000 CD GLU A 66 9.748 1.411 -10.032 1.00 0.00 C ATOM 1001 OE1 GLU A 66 10.322 2.434 -10.461 1.00 0.00 O ATOM 1002 OE2 GLU A 66 9.601 0.381 -10.723 1.00 0.00 O ATOM 0 H GLU A 66 4.993 2.204 -9.256 1.00 0.00 H new ATOM 0 HA GLU A 66 7.330 0.784 -10.249 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.790 3.002 -8.766 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.463 1.865 -7.474 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.873 2.031 -7.990 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.258 0.405 -8.210 1.00 0.00 H new ATOM 1009 N PRO A 67 6.083 -1.104 -9.180 1.00 0.00 N ATOM 1010 CA PRO A 67 5.493 -2.277 -8.559 1.00 0.00 C ATOM 1011 C PRO A 67 5.946 -2.445 -7.123 1.00 0.00 C ATOM 1012 O PRO A 67 7.138 -2.425 -6.813 1.00 0.00 O ATOM 1013 CB PRO A 67 5.978 -3.455 -9.415 1.00 0.00 C ATOM 1014 CG PRO A 67 6.901 -2.873 -10.433 1.00 0.00 C ATOM 1015 CD PRO A 67 6.595 -1.405 -10.499 1.00 0.00 C ATOM 0 HA PRO A 67 4.406 -2.202 -8.519 1.00 0.00 H new ATOM 0 HB2 PRO A 67 6.491 -4.197 -8.803 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.139 -3.961 -9.893 1.00 0.00 H new ATOM 0 HG2 PRO A 67 7.941 -3.040 -10.153 1.00 0.00 H new ATOM 0 HG3 PRO A 67 6.753 -3.344 -11.405 1.00 0.00 H new ATOM 0 HD2 PRO A 67 7.486 -0.820 -10.726 1.00 0.00 H new ATOM 0 HD3 PRO A 67 5.861 -1.183 -11.274 1.00 0.00 H new ATOM 1023 N VAL A 68 4.971 -2.610 -6.265 1.00 0.00 N ATOM 1024 CA VAL A 68 5.216 -2.778 -4.840 1.00 0.00 C ATOM 1025 C VAL A 68 5.442 -4.237 -4.545 1.00 0.00 C ATOM 1026 O VAL A 68 5.890 -4.626 -3.470 1.00 0.00 O ATOM 1027 CB VAL A 68 4.049 -2.254 -3.980 1.00 0.00 C ATOM 1028 CG1 VAL A 68 3.820 -0.775 -4.230 1.00 0.00 C ATOM 1029 CG2 VAL A 68 2.783 -3.049 -4.245 1.00 0.00 C ATOM 0 H VAL A 68 3.985 -2.633 -6.525 1.00 0.00 H new ATOM 0 HA VAL A 68 6.099 -2.193 -4.584 1.00 0.00 H new ATOM 0 HB VAL A 68 4.315 -2.384 -2.931 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.992 -0.426 -3.613 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.722 -0.219 -3.975 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.581 -0.616 -5.282 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.974 -2.661 -3.627 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.511 -2.960 -5.297 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.954 -4.098 -4.002 1.00 0.00 H new ATOM 1039 N HIS A 69 5.090 -5.015 -5.534 1.00 0.00 N ATOM 1040 CA HIS A 69 5.203 -6.438 -5.518 1.00 0.00 C ATOM 1041 C HIS A 69 6.645 -6.874 -5.263 1.00 0.00 C ATOM 1042 O HIS A 69 7.454 -6.945 -6.186 1.00 0.00 O ATOM 1043 CB HIS A 69 4.694 -6.923 -6.863 1.00 0.00 C ATOM 1044 CG HIS A 69 3.204 -7.056 -6.926 1.00 0.00 C ATOM 1045 ND1 HIS A 69 2.595 -7.981 -7.740 1.00 0.00 N ATOM 1046 CD2 HIS A 69 2.251 -6.345 -6.271 1.00 0.00 C ATOM 1047 CE1 HIS A 69 1.293 -7.814 -7.563 1.00 0.00 C ATOM 1048 NE2 HIS A 69 1.037 -6.834 -6.681 1.00 0.00 N ATOM 0 H HIS A 69 4.702 -4.654 -6.405 1.00 0.00 H new ATOM 0 HA HIS A 69 4.616 -6.872 -4.708 1.00 0.00 H new ATOM 0 HB2 HIS A 69 5.022 -6.230 -7.638 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.147 -7.889 -7.087 1.00 0.00 H new ATOM 0 HD2 HIS A 69 2.417 -5.547 -5.563 1.00 0.00 H new ATOM 0 HE1 HIS A 69 0.532 -8.393 -8.065 1.00 0.00 H new ATOM 0 HE2 HIS A 69 0.118 -6.515 -6.375 1.00 0.00 H new ATOM 1056 N GLY A 70 6.961 -7.145 -4.007 1.00 0.00 N ATOM 1057 CA GLY A 70 8.305 -7.557 -3.653 1.00 0.00 C ATOM 1058 C GLY A 70 8.957 -6.597 -2.679 1.00 0.00 C ATOM 1059 O GLY A 70 9.977 -6.917 -2.068 1.00 0.00 O ATOM 0 H GLY A 70 6.310 -7.087 -3.224 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.274 -8.554 -3.213 1.00 0.00 H new ATOM 0 HA3 GLY A 70 8.912 -7.625 -4.556 1.00 0.00 H new ATOM 1063 N LEU A 71 8.362 -5.419 -2.528 1.00 0.00 N ATOM 1064 CA LEU A 71 8.891 -4.405 -1.624 1.00 0.00 C ATOM 1065 C LEU A 71 8.579 -4.762 -0.179 1.00 0.00 C ATOM 1066 O LEU A 71 7.501 -5.268 0.121 1.00 0.00 O ATOM 1067 CB LEU A 71 8.300 -3.029 -1.943 1.00 0.00 C ATOM 1068 CG LEU A 71 8.630 -2.464 -3.328 1.00 0.00 C ATOM 1069 CD1 LEU A 71 8.157 -1.021 -3.436 1.00 0.00 C ATOM 1070 CD2 LEU A 71 10.123 -2.559 -3.608 1.00 0.00 C ATOM 0 H LEU A 71 7.513 -5.143 -3.020 1.00 0.00 H new ATOM 0 HA LEU A 71 9.972 -4.369 -1.762 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.216 -3.089 -1.845 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.649 -2.322 -1.191 1.00 0.00 H new ATOM 0 HG LEU A 71 8.106 -3.059 -4.076 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.398 -0.632 -4.425 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.079 -0.979 -3.282 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.655 -0.417 -2.678 1.00 0.00 H new ATOM 0 HD21 LEU A 71 10.334 -2.152 -4.597 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.671 -1.990 -2.857 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.434 -3.603 -3.571 1.00 0.00 H new ATOM 1082 N VAL A 72 9.515 -4.483 0.714 1.00 0.00 N ATOM 1083 CA VAL A 72 9.331 -4.778 2.127 1.00 0.00 C ATOM 1084 C VAL A 72 8.430 -3.727 2.793 1.00 0.00 C ATOM 1085 O VAL A 72 8.119 -2.694 2.193 1.00 0.00 O ATOM 1086 CB VAL A 72 10.701 -4.880 2.854 1.00 0.00 C ATOM 1087 CG1 VAL A 72 11.089 -3.575 3.542 1.00 0.00 C ATOM 1088 CG2 VAL A 72 10.699 -6.040 3.843 1.00 0.00 C ATOM 0 H VAL A 72 10.411 -4.052 0.486 1.00 0.00 H new ATOM 0 HA VAL A 72 8.835 -5.745 2.209 1.00 0.00 H new ATOM 0 HB VAL A 72 11.457 -5.073 2.093 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.053 -3.697 4.036 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.159 -2.779 2.800 1.00 0.00 H new ATOM 0 HG13 VAL A 72 10.333 -3.315 4.282 1.00 0.00 H new ATOM 0 HG21 VAL A 72 11.667 -6.095 4.342 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.916 -5.884 4.586 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.512 -6.972 3.310 1.00 0.00 H new ATOM 1098 N HIS A 73 8.021 -4.013 4.028 1.00 0.00 N ATOM 1099 CA HIS A 73 7.144 -3.144 4.822 1.00 0.00 C ATOM 1100 C HIS A 73 7.512 -1.666 4.719 1.00 0.00 C ATOM 1101 O HIS A 73 6.659 -0.812 4.491 1.00 0.00 O ATOM 1102 CB HIS A 73 7.238 -3.560 6.295 1.00 0.00 C ATOM 1103 CG HIS A 73 6.035 -3.213 7.122 1.00 0.00 C ATOM 1104 ND1 HIS A 73 5.265 -4.142 7.786 1.00 0.00 N ATOM 1105 CD2 HIS A 73 5.491 -2.002 7.414 1.00 0.00 C ATOM 1106 CE1 HIS A 73 4.299 -3.486 8.440 1.00 0.00 C ATOM 1107 NE2 HIS A 73 4.394 -2.184 8.251 1.00 0.00 N ATOM 0 H HIS A 73 8.292 -4.867 4.515 1.00 0.00 H new ATOM 0 HA HIS A 73 6.135 -3.262 4.427 1.00 0.00 H new ATOM 0 HB2 HIS A 73 7.398 -4.637 6.345 1.00 0.00 H new ATOM 0 HB3 HIS A 73 8.115 -3.087 6.737 1.00 0.00 H new ATOM 0 HD2 HIS A 73 5.852 -1.050 7.054 1.00 0.00 H new ATOM 0 HE1 HIS A 73 3.540 -3.961 9.044 1.00 0.00 H new ATOM 0 HE2 HIS A 73 3.789 -1.460 8.638 1.00 0.00 H new ATOM 1115 N THR A 74 8.787 -1.375 4.885 1.00 0.00 N ATOM 1116 CA THR A 74 9.261 -0.004 4.875 1.00 0.00 C ATOM 1117 C THR A 74 9.616 0.502 3.476 1.00 0.00 C ATOM 1118 O THR A 74 9.720 1.709 3.262 1.00 0.00 O ATOM 1119 CB THR A 74 10.477 0.123 5.811 1.00 0.00 C ATOM 1120 OG1 THR A 74 11.644 -0.422 5.182 1.00 0.00 O ATOM 1121 CG2 THR A 74 10.209 -0.629 7.111 1.00 0.00 C ATOM 0 H THR A 74 9.517 -2.073 5.029 1.00 0.00 H new ATOM 0 HA THR A 74 8.442 0.623 5.228 1.00 0.00 H new ATOM 0 HB THR A 74 10.644 1.178 6.026 1.00 0.00 H new ATOM 0 HG1 THR A 74 12.412 -0.335 5.785 1.00 0.00 H new ATOM 0 HG21 THR A 74 11.072 -0.536 7.770 1.00 0.00 H new ATOM 0 HG22 THR A 74 9.332 -0.207 7.601 1.00 0.00 H new ATOM 0 HG23 THR A 74 10.031 -1.682 6.892 1.00 0.00 H new ATOM 1129 N GLU A 75 9.762 -0.407 2.515 1.00 0.00 N ATOM 1130 CA GLU A 75 10.114 -0.019 1.157 1.00 0.00 C ATOM 1131 C GLU A 75 8.975 0.742 0.488 1.00 0.00 C ATOM 1132 O GLU A 75 9.210 1.747 -0.183 1.00 0.00 O ATOM 1133 CB GLU A 75 10.494 -1.237 0.327 1.00 0.00 C ATOM 1134 CG GLU A 75 11.972 -1.588 0.400 1.00 0.00 C ATOM 1135 CD GLU A 75 12.359 -2.682 -0.573 1.00 0.00 C ATOM 1136 OE1 GLU A 75 11.993 -3.851 -0.335 1.00 0.00 O ATOM 1137 OE2 GLU A 75 13.039 -2.380 -1.577 1.00 0.00 O ATOM 0 H GLU A 75 9.642 -1.411 2.653 1.00 0.00 H new ATOM 0 HA GLU A 75 10.977 0.644 1.217 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.909 -2.093 0.664 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.223 -1.056 -0.713 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.564 -0.697 0.193 1.00 0.00 H new ATOM 0 HG3 GLU A 75 12.217 -1.905 1.414 1.00 0.00 H new ATOM 1144 N VAL A 76 7.744 0.272 0.676 1.00 0.00 N ATOM 1145 CA VAL A 76 6.585 0.941 0.089 1.00 0.00 C ATOM 1146 C VAL A 76 6.432 2.331 0.682 1.00 0.00 C ATOM 1147 O VAL A 76 6.228 3.309 -0.033 1.00 0.00 O ATOM 1148 CB VAL A 76 5.287 0.133 0.282 1.00 0.00 C ATOM 1149 CG1 VAL A 76 5.303 -1.075 -0.628 1.00 0.00 C ATOM 1150 CG2 VAL A 76 5.081 -0.279 1.741 1.00 0.00 C ATOM 0 H VAL A 76 7.524 -0.560 1.224 1.00 0.00 H new ATOM 0 HA VAL A 76 6.760 1.019 -0.984 1.00 0.00 H new ATOM 0 HB VAL A 76 4.444 0.771 0.016 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.385 -1.646 -0.491 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.376 -0.748 -1.665 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.160 -1.703 -0.384 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.155 -0.846 1.832 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.918 -0.897 2.066 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.023 0.612 2.366 1.00 0.00 H new ATOM 1160 N VAL A 77 6.539 2.392 1.997 1.00 0.00 N ATOM 1161 CA VAL A 77 6.472 3.642 2.731 1.00 0.00 C ATOM 1162 C VAL A 77 7.508 4.624 2.197 1.00 0.00 C ATOM 1163 O VAL A 77 7.191 5.774 1.896 1.00 0.00 O ATOM 1164 CB VAL A 77 6.712 3.388 4.230 1.00 0.00 C ATOM 1165 CG1 VAL A 77 6.799 4.690 5.014 1.00 0.00 C ATOM 1166 CG2 VAL A 77 5.623 2.487 4.794 1.00 0.00 C ATOM 0 H VAL A 77 6.675 1.572 2.588 1.00 0.00 H new ATOM 0 HA VAL A 77 5.479 4.072 2.599 1.00 0.00 H new ATOM 0 HB VAL A 77 7.672 2.883 4.334 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.969 4.469 6.068 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.624 5.291 4.631 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.866 5.243 4.905 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.806 2.316 5.855 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.652 2.965 4.665 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.630 1.533 4.266 1.00 0.00 H new ATOM 1176 N GLU A 78 8.740 4.148 2.061 1.00 0.00 N ATOM 1177 CA GLU A 78 9.829 4.972 1.551 1.00 0.00 C ATOM 1178 C GLU A 78 9.547 5.437 0.135 1.00 0.00 C ATOM 1179 O GLU A 78 9.783 6.592 -0.200 1.00 0.00 O ATOM 1180 CB GLU A 78 11.146 4.220 1.584 1.00 0.00 C ATOM 1181 CG GLU A 78 11.802 4.273 2.939 1.00 0.00 C ATOM 1182 CD GLU A 78 13.307 4.201 2.857 1.00 0.00 C ATOM 1183 OE1 GLU A 78 13.936 5.240 2.578 1.00 0.00 O ATOM 1184 OE2 GLU A 78 13.870 3.110 3.072 1.00 0.00 O ATOM 0 H GLU A 78 9.010 3.193 2.297 1.00 0.00 H new ATOM 0 HA GLU A 78 9.904 5.844 2.201 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.975 3.180 1.306 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.821 4.642 0.839 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.513 5.195 3.443 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.435 3.448 3.549 1.00 0.00 H new ATOM 1191 N LEU A 79 9.063 4.519 -0.694 1.00 0.00 N ATOM 1192 CA LEU A 79 8.717 4.833 -2.081 1.00 0.00 C ATOM 1193 C LEU A 79 7.768 6.028 -2.123 1.00 0.00 C ATOM 1194 O LEU A 79 7.887 6.912 -2.979 1.00 0.00 O ATOM 1195 CB LEU A 79 8.058 3.622 -2.756 1.00 0.00 C ATOM 1196 CG LEU A 79 8.660 3.192 -4.101 1.00 0.00 C ATOM 1197 CD1 LEU A 79 8.739 4.362 -5.069 1.00 0.00 C ATOM 1198 CD2 LEU A 79 10.033 2.573 -3.892 1.00 0.00 C ATOM 0 H LEU A 79 8.900 3.547 -0.431 1.00 0.00 H new ATOM 0 HA LEU A 79 9.631 5.081 -2.620 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.109 2.776 -2.070 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.002 3.846 -2.908 1.00 0.00 H new ATOM 0 HG LEU A 79 8.003 2.442 -4.541 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.170 4.025 -6.012 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.738 4.755 -5.247 1.00 0.00 H new ATOM 0 HD13 LEU A 79 9.366 5.145 -4.643 1.00 0.00 H new ATOM 0 HD21 LEU A 79 10.447 2.273 -4.855 1.00 0.00 H new ATOM 0 HD22 LEU A 79 10.694 3.303 -3.424 1.00 0.00 H new ATOM 0 HD23 LEU A 79 9.944 1.699 -3.247 1.00 0.00 H new ATOM 1210 N ILE A 80 6.843 6.052 -1.173 1.00 0.00 N ATOM 1211 CA ILE A 80 5.870 7.116 -1.068 1.00 0.00 C ATOM 1212 C ILE A 80 6.527 8.407 -0.569 1.00 0.00 C ATOM 1213 O ILE A 80 6.361 9.466 -1.177 1.00 0.00 O ATOM 1214 CB ILE A 80 4.723 6.684 -0.136 1.00 0.00 C ATOM 1215 CG1 ILE A 80 3.810 5.694 -0.863 1.00 0.00 C ATOM 1216 CG2 ILE A 80 3.937 7.885 0.336 1.00 0.00 C ATOM 1217 CD1 ILE A 80 3.135 4.705 0.053 1.00 0.00 C ATOM 0 H ILE A 80 6.751 5.332 -0.457 1.00 0.00 H new ATOM 0 HA ILE A 80 5.459 7.316 -2.057 1.00 0.00 H new ATOM 0 HB ILE A 80 5.147 6.195 0.741 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.047 6.250 -1.408 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.396 5.149 -1.603 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.132 7.557 0.993 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.597 8.561 0.880 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.515 8.404 -0.524 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.505 4.037 -0.534 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.891 4.122 0.579 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.521 5.240 0.777 1.00 0.00 H new ATOM 1229 N LEU A 81 7.279 8.310 0.526 1.00 0.00 N ATOM 1230 CA LEU A 81 7.975 9.470 1.094 1.00 0.00 C ATOM 1231 C LEU A 81 8.923 10.081 0.066 1.00 0.00 C ATOM 1232 O LEU A 81 9.090 11.301 -0.007 1.00 0.00 O ATOM 1233 CB LEU A 81 8.764 9.066 2.345 1.00 0.00 C ATOM 1234 CG LEU A 81 7.971 8.295 3.400 1.00 0.00 C ATOM 1235 CD1 LEU A 81 8.891 7.810 4.506 1.00 0.00 C ATOM 1236 CD2 LEU A 81 6.866 9.164 3.971 1.00 0.00 C ATOM 0 H LEU A 81 7.424 7.441 1.040 1.00 0.00 H new ATOM 0 HA LEU A 81 7.225 10.211 1.372 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.614 8.457 2.037 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.168 9.967 2.806 1.00 0.00 H new ATOM 0 HG LEU A 81 7.516 7.426 2.924 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.310 7.263 5.249 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.652 7.153 4.085 1.00 0.00 H new ATOM 0 HD13 LEU A 81 9.373 8.665 4.980 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.311 8.600 4.721 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.302 10.050 4.432 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.191 9.466 3.171 1.00 0.00 H new ATOM 1248 N LYS A 82 9.538 9.208 -0.721 1.00 0.00 N ATOM 1249 CA LYS A 82 10.481 9.590 -1.762 1.00 0.00 C ATOM 1250 C LYS A 82 9.833 10.488 -2.803 1.00 0.00 C ATOM 1251 O LYS A 82 10.442 11.445 -3.278 1.00 0.00 O ATOM 1252 CB LYS A 82 10.993 8.345 -2.443 1.00 0.00 C ATOM 1253 CG LYS A 82 12.268 8.550 -3.238 1.00 0.00 C ATOM 1254 CD LYS A 82 12.457 7.451 -4.265 1.00 0.00 C ATOM 1255 CE LYS A 82 12.806 6.125 -3.611 1.00 0.00 C ATOM 1256 NZ LYS A 82 13.488 5.205 -4.556 1.00 0.00 N ATOM 0 H LYS A 82 9.393 8.201 -0.653 1.00 0.00 H new ATOM 0 HA LYS A 82 11.297 10.142 -1.294 1.00 0.00 H new ATOM 0 HB2 LYS A 82 11.168 7.578 -1.689 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.219 7.965 -3.110 1.00 0.00 H new ATOM 0 HG2 LYS A 82 12.236 9.518 -3.739 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.122 8.570 -2.561 1.00 0.00 H new ATOM 0 HD2 LYS A 82 11.544 7.339 -4.850 1.00 0.00 H new ATOM 0 HD3 LYS A 82 13.248 7.734 -4.959 1.00 0.00 H new ATOM 0 HE2 LYS A 82 13.450 6.303 -2.749 1.00 0.00 H new ATOM 0 HE3 LYS A 82 11.897 5.654 -3.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 13.709 4.312 -4.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 12.864 5.014 -5.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 14.369 5.644 -4.893 1.00 0.00 H new ATOM 1270 N SER A 83 8.598 10.161 -3.143 1.00 0.00 N ATOM 1271 CA SER A 83 7.837 10.910 -4.136 1.00 0.00 C ATOM 1272 C SER A 83 7.769 12.397 -3.785 1.00 0.00 C ATOM 1273 O SER A 83 7.820 13.256 -4.670 1.00 0.00 O ATOM 1274 CB SER A 83 6.430 10.322 -4.250 1.00 0.00 C ATOM 1275 OG SER A 83 5.659 11.007 -5.223 1.00 0.00 O ATOM 0 H SER A 83 8.093 9.371 -2.741 1.00 0.00 H new ATOM 0 HA SER A 83 8.346 10.825 -5.096 1.00 0.00 H new ATOM 0 HB2 SER A 83 6.496 9.266 -4.513 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.931 10.379 -3.283 1.00 0.00 H new ATOM 0 HG SER A 83 4.978 11.553 -4.776 1.00 0.00 H new ATOM 1281 N GLY A 84 7.670 12.703 -2.501 1.00 0.00 N ATOM 1282 CA GLY A 84 7.619 14.086 -2.085 1.00 0.00 C ATOM 1283 C GLY A 84 6.446 14.378 -1.183 1.00 0.00 C ATOM 1284 O GLY A 84 6.214 13.664 -0.213 1.00 0.00 O ATOM 0 H GLY A 84 7.624 12.021 -1.744 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.543 14.340 -1.566 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.563 14.725 -2.966 1.00 0.00 H new ATOM 1288 N ASN A 85 5.702 15.424 -1.502 1.00 0.00 N ATOM 1289 CA ASN A 85 4.545 15.805 -0.698 1.00 0.00 C ATOM 1290 C ASN A 85 3.277 15.156 -1.225 1.00 0.00 C ATOM 1291 O ASN A 85 2.170 15.529 -0.852 1.00 0.00 O ATOM 1292 CB ASN A 85 4.376 17.322 -0.659 1.00 0.00 C ATOM 1293 CG ASN A 85 4.363 17.970 -2.031 1.00 0.00 C ATOM 1294 OD1 ASN A 85 3.991 17.354 -3.030 1.00 0.00 O ATOM 1295 ND2 ASN A 85 4.768 19.229 -2.087 1.00 0.00 N ATOM 0 H ASN A 85 5.875 16.025 -2.308 1.00 0.00 H new ATOM 0 HA ASN A 85 4.723 15.450 0.317 1.00 0.00 H new ATOM 0 HB2 ASN A 85 3.445 17.562 -0.145 1.00 0.00 H new ATOM 0 HB3 ASN A 85 5.186 17.754 -0.071 1.00 0.00 H new ATOM 0 HD21 ASN A 85 4.779 19.722 -2.980 1.00 0.00 H new ATOM 0 HD22 ASN A 85 5.069 19.706 -1.237 1.00 0.00 H new ATOM 1302 N LYS A 86 3.452 14.179 -2.085 1.00 0.00 N ATOM 1303 CA LYS A 86 2.345 13.453 -2.666 1.00 0.00 C ATOM 1304 C LYS A 86 2.835 12.165 -3.277 1.00 0.00 C ATOM 1305 O LYS A 86 4.036 11.909 -3.299 1.00 0.00 O ATOM 1306 CB LYS A 86 1.652 14.282 -3.732 1.00 0.00 C ATOM 1307 CG LYS A 86 2.561 14.783 -4.842 1.00 0.00 C ATOM 1308 CD LYS A 86 1.751 15.265 -6.032 1.00 0.00 C ATOM 1309 CE LYS A 86 2.641 15.726 -7.173 1.00 0.00 C ATOM 1310 NZ LYS A 86 3.498 14.631 -7.700 1.00 0.00 N ATOM 0 H LYS A 86 4.369 13.864 -2.403 1.00 0.00 H new ATOM 0 HA LYS A 86 1.631 13.235 -1.872 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.856 13.685 -4.176 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.179 15.140 -3.254 1.00 0.00 H new ATOM 0 HG2 LYS A 86 3.184 15.596 -4.468 1.00 0.00 H new ATOM 0 HG3 LYS A 86 3.233 13.984 -5.155 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.102 14.461 -6.379 1.00 0.00 H new ATOM 0 HD3 LYS A 86 1.104 16.085 -5.722 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.021 16.118 -7.979 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.273 16.545 -6.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.919 14.925 -8.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 4.254 14.423 -7.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.921 13.779 -7.848 1.00 0.00 H new ATOM 1324 N VAL A 87 1.905 11.370 -3.786 1.00 0.00 N ATOM 1325 CA VAL A 87 2.258 10.081 -4.398 1.00 0.00 C ATOM 1326 C VAL A 87 1.072 9.405 -5.103 1.00 0.00 C ATOM 1327 O VAL A 87 -0.078 9.531 -4.681 1.00 0.00 O ATOM 1328 CB VAL A 87 2.833 9.114 -3.340 1.00 0.00 C ATOM 1329 CG1 VAL A 87 1.759 8.685 -2.351 1.00 0.00 C ATOM 1330 CG2 VAL A 87 3.482 7.903 -3.993 1.00 0.00 C ATOM 0 H VAL A 87 0.908 11.585 -3.792 1.00 0.00 H new ATOM 0 HA VAL A 87 3.011 10.304 -5.154 1.00 0.00 H new ATOM 0 HB VAL A 87 3.606 9.650 -2.789 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.191 8.005 -1.617 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.362 9.563 -1.842 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.954 8.180 -2.885 1.00 0.00 H new ATOM 0 HG21 VAL A 87 3.877 7.242 -3.222 1.00 0.00 H new ATOM 0 HG22 VAL A 87 2.740 7.367 -4.585 1.00 0.00 H new ATOM 0 HG23 VAL A 87 4.295 8.231 -4.641 1.00 0.00 H new ATOM 1340 N ALA A 88 1.382 8.706 -6.194 1.00 0.00 N ATOM 1341 CA ALA A 88 0.390 7.971 -6.984 1.00 0.00 C ATOM 1342 C ALA A 88 0.278 6.524 -6.516 1.00 0.00 C ATOM 1343 O ALA A 88 1.062 5.669 -6.925 1.00 0.00 O ATOM 1344 CB ALA A 88 0.753 8.010 -8.459 1.00 0.00 C ATOM 0 H ALA A 88 2.332 8.632 -6.558 1.00 0.00 H new ATOM 0 HA ALA A 88 -0.576 8.455 -6.841 1.00 0.00 H new ATOM 0 HB1 ALA A 88 0.007 7.460 -9.032 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.781 9.045 -8.799 1.00 0.00 H new ATOM 0 HB3 ALA A 88 1.732 7.553 -8.605 1.00 0.00 H new ATOM 1350 N ILE A 89 -0.683 6.248 -5.657 1.00 0.00 N ATOM 1351 CA ILE A 89 -0.876 4.893 -5.147 1.00 0.00 C ATOM 1352 C ILE A 89 -1.820 4.093 -6.052 1.00 0.00 C ATOM 1353 O ILE A 89 -3.003 4.410 -6.170 1.00 0.00 O ATOM 1354 CB ILE A 89 -1.390 4.899 -3.685 1.00 0.00 C ATOM 1355 CG1 ILE A 89 -1.636 3.477 -3.195 1.00 0.00 C ATOM 1356 CG2 ILE A 89 -2.653 5.732 -3.541 1.00 0.00 C ATOM 1357 CD1 ILE A 89 -1.678 3.368 -1.689 1.00 0.00 C ATOM 0 H ILE A 89 -1.343 6.936 -5.295 1.00 0.00 H new ATOM 0 HA ILE A 89 0.098 4.404 -5.152 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.616 5.355 -3.067 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.579 3.116 -3.606 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.851 2.826 -3.579 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.985 5.713 -2.503 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -2.446 6.760 -3.838 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.435 5.320 -4.179 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.856 2.331 -1.404 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.727 3.700 -1.273 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.482 3.994 -1.301 1.00 0.00 H new ATOM 1369 N SER A 90 -1.296 3.062 -6.705 1.00 0.00 N ATOM 1370 CA SER A 90 -2.099 2.241 -7.598 1.00 0.00 C ATOM 1371 C SER A 90 -2.782 1.110 -6.832 1.00 0.00 C ATOM 1372 O SER A 90 -2.127 0.183 -6.355 1.00 0.00 O ATOM 1373 CB SER A 90 -1.212 1.675 -8.707 1.00 0.00 C ATOM 1374 OG SER A 90 -1.853 1.721 -9.968 1.00 0.00 O ATOM 0 H SER A 90 -0.320 2.776 -6.632 1.00 0.00 H new ATOM 0 HA SER A 90 -2.877 2.862 -8.041 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.281 2.240 -8.752 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.948 0.644 -8.471 1.00 0.00 H new ATOM 0 HG SER A 90 -1.256 1.353 -10.652 1.00 0.00 H new ATOM 1380 N THR A 91 -4.098 1.209 -6.702 1.00 0.00 N ATOM 1381 CA THR A 91 -4.880 0.202 -6.001 1.00 0.00 C ATOM 1382 C THR A 91 -5.704 -0.609 -6.995 1.00 0.00 C ATOM 1383 O THR A 91 -5.873 -0.197 -8.144 1.00 0.00 O ATOM 1384 CB THR A 91 -5.800 0.860 -4.961 1.00 0.00 C ATOM 1385 OG1 THR A 91 -6.598 1.879 -5.582 1.00 0.00 O ATOM 1386 CG2 THR A 91 -4.980 1.475 -3.837 1.00 0.00 C ATOM 0 H THR A 91 -4.648 1.982 -7.076 1.00 0.00 H new ATOM 0 HA THR A 91 -4.195 -0.468 -5.481 1.00 0.00 H new ATOM 0 HB THR A 91 -6.452 0.091 -4.546 1.00 0.00 H new ATOM 0 HG1 THR A 91 -7.508 1.847 -5.221 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.648 1.936 -3.110 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.392 0.698 -3.348 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.311 2.232 -4.247 1.00 0.00 H new ATOM 1394 N THR A 92 -6.217 -1.755 -6.563 1.00 0.00 N ATOM 1395 CA THR A 92 -6.980 -2.612 -7.460 1.00 0.00 C ATOM 1396 C THR A 92 -8.491 -2.455 -7.281 1.00 0.00 C ATOM 1397 O THR A 92 -9.053 -2.920 -6.289 1.00 0.00 O ATOM 1398 CB THR A 92 -6.583 -4.099 -7.299 1.00 0.00 C ATOM 1399 OG1 THR A 92 -7.494 -4.943 -8.014 1.00 0.00 O ATOM 1400 CG2 THR A 92 -6.552 -4.512 -5.836 1.00 0.00 C ATOM 0 H THR A 92 -6.120 -2.108 -5.611 1.00 0.00 H new ATOM 0 HA THR A 92 -6.730 -2.286 -8.470 1.00 0.00 H new ATOM 0 HB THR A 92 -5.581 -4.214 -7.712 1.00 0.00 H new ATOM 0 HG1 THR A 92 -7.228 -5.880 -7.903 1.00 0.00 H new ATOM 0 HG21 THR A 92 -6.270 -5.562 -5.760 1.00 0.00 H new ATOM 0 HG22 THR A 92 -5.825 -3.901 -5.301 1.00 0.00 H new ATOM 0 HG23 THR A 92 -7.539 -4.369 -5.397 1.00 0.00 H new ATOM 1408 N PRO A 93 -9.179 -1.774 -8.223 1.00 0.00 N ATOM 1409 CA PRO A 93 -10.637 -1.606 -8.163 1.00 0.00 C ATOM 1410 C PRO A 93 -11.389 -2.932 -8.046 1.00 0.00 C ATOM 1411 O PRO A 93 -10.801 -4.016 -8.092 1.00 0.00 O ATOM 1412 CB PRO A 93 -10.984 -0.944 -9.493 1.00 0.00 C ATOM 1413 CG PRO A 93 -9.740 -0.243 -9.908 1.00 0.00 C ATOM 1414 CD PRO A 93 -8.593 -1.051 -9.371 1.00 0.00 C ATOM 0 HA PRO A 93 -10.924 -1.030 -7.284 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -11.287 -1.683 -10.235 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -11.813 -0.245 -9.382 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -9.684 -0.164 -10.994 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -9.717 0.773 -9.513 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -8.203 -1.739 -10.121 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -7.765 -0.414 -9.062 1.00 0.00 H new ATOM 1422 N LEU A 94 -12.697 -2.827 -7.910 1.00 0.00 N ATOM 1423 CA LEU A 94 -13.558 -3.989 -7.789 1.00 0.00 C ATOM 1424 C LEU A 94 -13.533 -4.814 -9.071 1.00 0.00 C ATOM 1425 O LEU A 94 -13.105 -4.335 -10.125 1.00 0.00 O ATOM 1426 CB LEU A 94 -14.992 -3.553 -7.499 1.00 0.00 C ATOM 1427 CG LEU A 94 -15.152 -2.122 -7.028 1.00 0.00 C ATOM 1428 CD1 LEU A 94 -15.419 -1.259 -8.226 1.00 0.00 C ATOM 1429 CD2 LEU A 94 -16.279 -2.010 -6.015 1.00 0.00 C ATOM 0 H LEU A 94 -13.192 -1.936 -7.880 1.00 0.00 H new ATOM 0 HA LEU A 94 -13.188 -4.600 -6.966 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -15.585 -3.689 -8.403 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -15.410 -4.216 -6.741 1.00 0.00 H new ATOM 0 HG LEU A 94 -14.240 -1.791 -6.532 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -15.538 -0.223 -7.909 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -14.582 -1.332 -8.921 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -16.331 -1.594 -8.720 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -16.375 -0.974 -5.691 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -17.213 -2.335 -6.473 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -16.058 -2.640 -5.154 1.00 0.00 H new ATOM 1441 N GLU A 95 -14.004 -6.044 -8.976 1.00 0.00 N ATOM 1442 CA GLU A 95 -14.038 -6.946 -10.117 1.00 0.00 C ATOM 1443 C GLU A 95 -14.980 -8.111 -9.843 1.00 0.00 C ATOM 1444 O GLU A 95 -15.293 -8.413 -8.688 1.00 0.00 O ATOM 1445 CB GLU A 95 -12.628 -7.460 -10.453 1.00 0.00 C ATOM 1446 CG GLU A 95 -12.097 -8.526 -9.502 1.00 0.00 C ATOM 1447 CD GLU A 95 -11.608 -7.969 -8.179 1.00 0.00 C ATOM 1448 OE1 GLU A 95 -10.457 -7.486 -8.120 1.00 0.00 O ATOM 1449 OE2 GLU A 95 -12.361 -8.035 -7.185 1.00 0.00 O ATOM 0 H GLU A 95 -14.372 -6.445 -8.113 1.00 0.00 H new ATOM 0 HA GLU A 95 -14.410 -6.392 -10.979 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -12.635 -7.866 -11.465 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -11.938 -6.616 -10.453 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -12.884 -9.255 -9.311 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -11.279 -9.059 -9.987 1.00 0.00 H new