USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 608 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 -167:sc= -2.39! (180deg=-2.69!) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.101 (180deg=-0.353) USER MOD Single : A 2 LYS NZ :NH3+ -163:sc= 1.1 (180deg=0.52) USER MOD Single : A 4 SER OG : rot -23:sc= 0.0413 USER MOD Single : A 7 LYS NZ :NH3+ 151:sc= 1.15 (180deg=-0.897) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl -149:sc= 0 (180deg=-0.892) USER MOD Single : A 37 LYS NZ :NH3+ 169:sc= 1.22 (180deg=0.661) USER MOD Single : A 39 LYS NZ :NH3+ -123:sc= -0.05 (180deg=-1.04) USER MOD Single : A 53 ASN : amide:sc= -1.84 K(o=-1.8,f=-0.024) USER MOD Single : A 54 CYS SG : rot -130:sc= -1.38 USER MOD Single : A 55 ASN : amide:sc= -0.111 K(o=-0.11,f=-3!) USER MOD Single : A 57 MET CE :methyl -151:sc= -0.25 (180deg=-1.76) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl 156:sc= -3.04 (180deg=-3.42!) USER MOD Single : A 64 ASN : amide:sc= -0.086 X(o=-0.086,f=-0.061) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.720 -10.895 -3.972 1.00 0.00 N ATOM 2 CA MET A 1 -4.844 -9.699 -4.835 1.00 0.00 C ATOM 3 C MET A 1 -3.817 -8.654 -4.422 1.00 0.00 C ATOM 4 O MET A 1 -3.664 -8.365 -3.237 1.00 0.00 O ATOM 5 CB MET A 1 -6.254 -9.118 -4.729 1.00 0.00 C ATOM 6 CG MET A 1 -6.485 -7.901 -5.605 1.00 0.00 C ATOM 7 SD MET A 1 -8.177 -7.294 -5.494 1.00 0.00 S ATOM 8 CE MET A 1 -8.094 -5.894 -6.604 1.00 0.00 C ATOM 0 H1 MET A 1 -5.260 -11.681 -4.388 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.719 -11.165 -3.895 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.094 -10.681 -3.026 1.00 0.00 H new ATOM 0 HA MET A 1 -4.660 -9.989 -5.870 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.975 -9.889 -4.998 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.448 -8.848 -3.691 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.797 -7.108 -5.312 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.258 -8.153 -6.641 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.982 -5.275 -6.475 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.205 -5.305 -6.380 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.045 -6.248 -7.634 1.00 0.00 H new ATOM 20 N LYS A 2 -3.126 -8.089 -5.398 1.00 0.00 N ATOM 21 CA LYS A 2 -2.068 -7.123 -5.131 1.00 0.00 C ATOM 22 C LYS A 2 -2.633 -5.758 -4.790 1.00 0.00 C ATOM 23 O LYS A 2 -3.727 -5.394 -5.224 1.00 0.00 O ATOM 24 CB LYS A 2 -1.153 -6.969 -6.346 1.00 0.00 C ATOM 25 CG LYS A 2 -0.067 -8.027 -6.471 1.00 0.00 C ATOM 26 CD LYS A 2 -0.628 -9.436 -6.494 1.00 0.00 C ATOM 27 CE LYS A 2 0.433 -10.444 -6.905 1.00 0.00 C ATOM 28 NZ LYS A 2 0.971 -10.169 -8.267 1.00 0.00 N ATOM 0 H LYS A 2 -3.278 -8.283 -6.388 1.00 0.00 H new ATOM 0 HA LYS A 2 -1.503 -7.505 -4.281 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -1.765 -6.990 -7.248 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -0.680 -5.988 -6.304 1.00 0.00 H new ATOM 0 HG2 LYS A 2 0.503 -7.852 -7.383 1.00 0.00 H new ATOM 0 HG3 LYS A 2 0.628 -7.930 -5.637 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.014 -9.693 -5.508 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -1.468 -9.485 -7.188 1.00 0.00 H new ATOM 0 HE2 LYS A 2 1.249 -10.425 -6.183 1.00 0.00 H new ATOM 0 HE3 LYS A 2 0.008 -11.447 -6.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 1.462 -11.014 -8.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 0.188 -9.928 -8.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 1.639 -9.373 -8.222 1.00 0.00 H new ATOM 42 N LEU A 3 -1.868 -5.008 -4.019 1.00 0.00 N ATOM 43 CA LEU A 3 -2.150 -3.602 -3.785 1.00 0.00 C ATOM 44 C LEU A 3 -1.996 -2.834 -5.098 1.00 0.00 C ATOM 45 O LEU A 3 -2.676 -1.840 -5.346 1.00 0.00 O ATOM 46 CB LEU A 3 -1.192 -3.066 -2.712 1.00 0.00 C ATOM 47 CG LEU A 3 -1.307 -1.578 -2.383 1.00 0.00 C ATOM 48 CD1 LEU A 3 -2.743 -1.206 -2.060 1.00 0.00 C ATOM 49 CD2 LEU A 3 -0.404 -1.233 -1.214 1.00 0.00 C ATOM 0 H LEU A 3 -1.037 -5.353 -3.539 1.00 0.00 H new ATOM 0 HA LEU A 3 -3.172 -3.473 -3.428 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.354 -3.633 -1.795 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.170 -3.267 -3.034 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.994 -1.008 -3.257 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.800 -0.142 -1.829 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -3.378 -1.426 -2.919 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.084 -1.783 -1.200 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -0.493 -0.171 -0.987 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.699 -1.816 -0.342 1.00 0.00 H new ATOM 0 HD23 LEU A 3 0.630 -1.464 -1.472 1.00 0.00 H new ATOM 61 N SER A 4 -1.107 -3.338 -5.944 1.00 0.00 N ATOM 62 CA SER A 4 -0.867 -2.766 -7.263 1.00 0.00 C ATOM 63 C SER A 4 -2.008 -3.107 -8.232 1.00 0.00 C ATOM 64 O SER A 4 -2.131 -2.501 -9.298 1.00 0.00 O ATOM 65 CB SER A 4 0.473 -3.280 -7.809 1.00 0.00 C ATOM 66 OG SER A 4 0.837 -2.620 -9.010 1.00 0.00 O ATOM 0 H SER A 4 -0.532 -4.154 -5.736 1.00 0.00 H new ATOM 0 HA SER A 4 -0.827 -1.681 -7.169 1.00 0.00 H new ATOM 0 HB2 SER A 4 1.252 -3.131 -7.061 1.00 0.00 H new ATOM 0 HB3 SER A 4 0.405 -4.353 -7.989 1.00 0.00 H new ATOM 0 HG SER A 4 0.035 -2.252 -9.437 1.00 0.00 H new ATOM 72 N GLU A 5 -2.858 -4.061 -7.853 1.00 0.00 N ATOM 73 CA GLU A 5 -3.962 -4.478 -8.717 1.00 0.00 C ATOM 74 C GLU A 5 -5.207 -3.642 -8.452 1.00 0.00 C ATOM 75 O GLU A 5 -6.268 -3.885 -9.034 1.00 0.00 O ATOM 76 CB GLU A 5 -4.281 -5.962 -8.529 1.00 0.00 C ATOM 77 CG GLU A 5 -3.176 -6.882 -9.011 1.00 0.00 C ATOM 78 CD GLU A 5 -3.576 -8.341 -8.978 1.00 0.00 C ATOM 79 OE1 GLU A 5 -3.730 -8.900 -7.873 1.00 0.00 O ATOM 80 OE2 GLU A 5 -3.734 -8.940 -10.064 1.00 0.00 O ATOM 0 H GLU A 5 -2.805 -4.555 -6.962 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.647 -4.320 -9.748 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.469 -6.155 -7.473 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -5.200 -6.199 -9.065 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -2.899 -6.608 -10.029 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -2.292 -6.738 -8.390 1.00 0.00 H new ATOM 87 N LEU A 6 -5.072 -2.661 -7.575 1.00 0.00 N ATOM 88 CA LEU A 6 -6.177 -1.762 -7.264 1.00 0.00 C ATOM 89 C LEU A 6 -6.341 -0.686 -8.326 1.00 0.00 C ATOM 90 O LEU A 6 -5.575 -0.616 -9.290 1.00 0.00 O ATOM 91 CB LEU A 6 -5.981 -1.104 -5.900 1.00 0.00 C ATOM 92 CG LEU A 6 -6.057 -2.053 -4.714 1.00 0.00 C ATOM 93 CD1 LEU A 6 -5.930 -1.292 -3.409 1.00 0.00 C ATOM 94 CD2 LEU A 6 -7.354 -2.832 -4.743 1.00 0.00 C ATOM 0 H LEU A 6 -4.211 -2.465 -7.065 1.00 0.00 H new ATOM 0 HA LEU A 6 -7.082 -2.369 -7.243 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.010 -0.608 -5.888 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -6.737 -0.328 -5.775 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.226 -2.755 -4.785 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.987 -1.990 -2.574 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.972 -0.772 -3.383 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.739 -0.566 -3.331 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.393 -3.506 -3.888 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.195 -2.140 -4.698 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.410 -3.411 -5.665 1.00 0.00 H new ATOM 106 N LYS A 7 -7.352 0.146 -8.139 1.00 0.00 N ATOM 107 CA LYS A 7 -7.642 1.224 -9.069 1.00 0.00 C ATOM 108 C LYS A 7 -7.447 2.567 -8.384 1.00 0.00 C ATOM 109 O LYS A 7 -7.415 2.639 -7.154 1.00 0.00 O ATOM 110 CB LYS A 7 -9.087 1.120 -9.563 1.00 0.00 C ATOM 111 CG LYS A 7 -9.548 -0.301 -9.843 1.00 0.00 C ATOM 112 CD LYS A 7 -11.057 -0.359 -10.025 1.00 0.00 C ATOM 113 CE LYS A 7 -11.578 -1.787 -9.985 1.00 0.00 C ATOM 114 NZ LYS A 7 -11.241 -2.468 -8.704 1.00 0.00 N ATOM 0 H LYS A 7 -7.990 0.094 -7.345 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.962 1.143 -9.917 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.747 1.564 -8.818 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -9.191 1.710 -10.473 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -9.055 -0.677 -10.740 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.252 -0.952 -9.020 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -11.540 0.226 -9.242 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -11.326 0.099 -10.977 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -12.660 -1.782 -10.119 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -11.156 -2.350 -10.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -11.965 -3.183 -8.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -10.313 -2.930 -8.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -11.208 -1.767 -7.936 1.00 0.00 H new ATOM 128 N ALA A 8 -7.326 3.624 -9.173 1.00 0.00 N ATOM 129 CA ALA A 8 -7.221 4.965 -8.624 1.00 0.00 C ATOM 130 C ALA A 8 -8.548 5.365 -7.992 1.00 0.00 C ATOM 131 O ALA A 8 -9.518 5.665 -8.688 1.00 0.00 O ATOM 132 CB ALA A 8 -6.803 5.960 -9.698 1.00 0.00 C ATOM 0 H ALA A 8 -7.298 3.578 -10.192 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.450 4.973 -7.854 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.731 6.957 -9.263 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.834 5.671 -10.104 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -7.544 5.966 -10.497 1.00 0.00 H new ATOM 138 N GLY A 9 -8.587 5.340 -6.672 1.00 0.00 N ATOM 139 CA GLY A 9 -9.810 5.616 -5.955 1.00 0.00 C ATOM 140 C GLY A 9 -10.361 4.381 -5.271 1.00 0.00 C ATOM 141 O GLY A 9 -11.415 4.441 -4.638 1.00 0.00 O ATOM 0 H GLY A 9 -7.784 5.131 -6.079 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -9.626 6.391 -5.211 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.555 6.009 -6.647 1.00 0.00 H new ATOM 145 N ASP A 10 -9.652 3.258 -5.386 1.00 0.00 N ATOM 146 CA ASP A 10 -10.120 2.007 -4.787 1.00 0.00 C ATOM 147 C ASP A 10 -9.921 2.026 -3.275 1.00 0.00 C ATOM 148 O ASP A 10 -9.157 2.838 -2.745 1.00 0.00 O ATOM 149 CB ASP A 10 -9.399 0.789 -5.376 1.00 0.00 C ATOM 150 CG ASP A 10 -10.348 -0.373 -5.596 1.00 0.00 C ATOM 151 OD1 ASP A 10 -11.074 -0.741 -4.647 1.00 0.00 O ATOM 152 OD2 ASP A 10 -10.391 -0.906 -6.724 1.00 0.00 O ATOM 0 H ASP A 10 -8.763 3.188 -5.881 1.00 0.00 H new ATOM 0 HA ASP A 10 -11.182 1.923 -5.016 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.935 1.064 -6.323 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.597 0.482 -4.705 1.00 0.00 H new ATOM 157 N ARG A 11 -10.598 1.115 -2.589 1.00 0.00 N ATOM 158 CA ARG A 11 -10.547 1.051 -1.133 1.00 0.00 C ATOM 159 C ARG A 11 -10.215 -0.369 -0.706 1.00 0.00 C ATOM 160 O ARG A 11 -10.957 -1.305 -1.016 1.00 0.00 O ATOM 161 CB ARG A 11 -11.884 1.461 -0.488 1.00 0.00 C ATOM 162 CG ARG A 11 -12.536 2.710 -1.070 1.00 0.00 C ATOM 163 CD ARG A 11 -13.302 2.395 -2.346 1.00 0.00 C ATOM 164 NE ARG A 11 -14.163 3.498 -2.758 1.00 0.00 N ATOM 165 CZ ARG A 11 -15.143 3.382 -3.649 1.00 0.00 C ATOM 166 NH1 ARG A 11 -15.367 2.222 -4.253 1.00 0.00 N ATOM 167 NH2 ARG A 11 -15.897 4.429 -3.953 1.00 0.00 N ATOM 0 H ARG A 11 -11.192 0.406 -3.019 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.780 1.750 -0.799 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -12.583 0.630 -0.582 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.720 1.621 0.578 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -13.214 3.144 -0.335 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -11.771 3.458 -1.279 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.596 2.169 -3.145 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -13.907 1.501 -2.193 1.00 0.00 H new ATOM 0 HE ARG A 11 -14.004 4.413 -2.337 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -14.786 1.413 -4.035 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -16.120 2.140 -4.936 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -15.726 5.328 -3.503 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -16.648 4.335 -4.637 1.00 0.00 H new ATOM 181 N ALA A 12 -9.118 -0.541 0.008 1.00 0.00 N ATOM 182 CA ALA A 12 -8.700 -1.869 0.405 1.00 0.00 C ATOM 183 C ALA A 12 -8.163 -1.885 1.823 1.00 0.00 C ATOM 184 O ALA A 12 -7.798 -0.846 2.378 1.00 0.00 O ATOM 185 CB ALA A 12 -7.654 -2.399 -0.560 1.00 0.00 C ATOM 0 H ALA A 12 -8.508 0.214 0.321 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.576 -2.517 0.375 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.347 -3.398 -0.251 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.075 -2.443 -1.565 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.788 -1.737 -0.558 1.00 0.00 H new ATOM 191 N GLU A 13 -8.143 -3.069 2.404 1.00 0.00 N ATOM 192 CA GLU A 13 -7.540 -3.280 3.701 1.00 0.00 C ATOM 193 C GLU A 13 -6.405 -4.285 3.558 1.00 0.00 C ATOM 194 O GLU A 13 -6.585 -5.355 2.972 1.00 0.00 O ATOM 195 CB GLU A 13 -8.586 -3.779 4.701 1.00 0.00 C ATOM 196 CG GLU A 13 -8.080 -3.844 6.132 1.00 0.00 C ATOM 197 CD GLU A 13 -9.140 -4.299 7.112 1.00 0.00 C ATOM 198 OE1 GLU A 13 -10.053 -3.505 7.421 1.00 0.00 O ATOM 199 OE2 GLU A 13 -9.057 -5.450 7.590 1.00 0.00 O ATOM 0 H GLU A 13 -8.545 -3.910 1.989 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.142 -2.338 4.080 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.455 -3.123 4.662 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.921 -4.771 4.398 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.231 -4.525 6.181 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.717 -2.860 6.429 1.00 0.00 H new ATOM 206 N VAL A 14 -5.234 -3.924 4.058 1.00 0.00 N ATOM 207 CA VAL A 14 -4.056 -4.773 3.938 1.00 0.00 C ATOM 208 C VAL A 14 -4.228 -6.062 4.734 1.00 0.00 C ATOM 209 O VAL A 14 -4.547 -6.031 5.925 1.00 0.00 O ATOM 210 CB VAL A 14 -2.783 -4.047 4.418 1.00 0.00 C ATOM 211 CG1 VAL A 14 -1.560 -4.941 4.268 1.00 0.00 C ATOM 212 CG2 VAL A 14 -2.592 -2.745 3.659 1.00 0.00 C ATOM 0 H VAL A 14 -5.072 -3.047 4.552 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.945 -5.013 2.881 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.903 -3.813 5.476 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.675 -4.407 4.613 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.694 -5.844 4.863 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.434 -5.213 3.220 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.689 -2.247 4.012 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.498 -2.955 2.594 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.452 -2.097 3.826 1.00 0.00 H new ATOM 222 N THR A 15 -4.031 -7.192 4.069 1.00 0.00 N ATOM 223 CA THR A 15 -4.120 -8.484 4.725 1.00 0.00 C ATOM 224 C THR A 15 -2.732 -9.050 5.013 1.00 0.00 C ATOM 225 O THR A 15 -2.513 -9.679 6.050 1.00 0.00 O ATOM 226 CB THR A 15 -4.929 -9.489 3.881 1.00 0.00 C ATOM 227 OG1 THR A 15 -4.456 -9.492 2.529 1.00 0.00 O ATOM 228 CG2 THR A 15 -6.410 -9.143 3.895 1.00 0.00 C ATOM 0 H THR A 15 -3.808 -7.237 3.075 1.00 0.00 H new ATOM 0 HA THR A 15 -4.640 -8.329 5.670 1.00 0.00 H new ATOM 0 HB THR A 15 -4.795 -10.479 4.318 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.975 -10.135 2.002 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.958 -9.867 3.292 1.00 0.00 H new ATOM 0 HG22 THR A 15 -6.780 -9.169 4.920 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.554 -8.144 3.483 1.00 0.00 H new ATOM 236 N SER A 16 -1.796 -8.817 4.099 1.00 0.00 N ATOM 237 CA SER A 16 -0.432 -9.296 4.267 1.00 0.00 C ATOM 238 C SER A 16 0.523 -8.518 3.364 1.00 0.00 C ATOM 239 O SER A 16 0.149 -8.088 2.272 1.00 0.00 O ATOM 240 CB SER A 16 -0.358 -10.795 3.954 1.00 0.00 C ATOM 241 OG SER A 16 0.911 -11.331 4.287 1.00 0.00 O ATOM 0 H SER A 16 -1.959 -8.299 3.235 1.00 0.00 H new ATOM 0 HA SER A 16 -0.132 -9.138 5.303 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.134 -11.323 4.508 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.556 -10.957 2.895 1.00 0.00 H new ATOM 0 HG SER A 16 0.927 -12.288 4.078 1.00 0.00 H new ATOM 247 N VAL A 17 1.754 -8.336 3.829 1.00 0.00 N ATOM 248 CA VAL A 17 2.769 -7.614 3.071 1.00 0.00 C ATOM 249 C VAL A 17 3.997 -8.492 2.852 1.00 0.00 C ATOM 250 O VAL A 17 4.667 -8.890 3.811 1.00 0.00 O ATOM 251 CB VAL A 17 3.206 -6.318 3.791 1.00 0.00 C ATOM 252 CG1 VAL A 17 4.260 -5.577 2.979 1.00 0.00 C ATOM 253 CG2 VAL A 17 2.012 -5.418 4.062 1.00 0.00 C ATOM 0 H VAL A 17 2.074 -8.681 4.734 1.00 0.00 H new ATOM 0 HA VAL A 17 2.323 -7.350 2.112 1.00 0.00 H new ATOM 0 HB VAL A 17 3.645 -6.598 4.748 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.552 -4.668 3.505 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.133 -6.216 2.846 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.850 -5.315 2.003 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.346 -4.513 4.569 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.536 -5.151 3.118 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.296 -5.944 4.693 1.00 0.00 H new ATOM 263 N ALA A 18 4.280 -8.802 1.597 1.00 0.00 N ATOM 264 CA ALA A 18 5.474 -9.557 1.248 1.00 0.00 C ATOM 265 C ALA A 18 6.507 -8.621 0.639 1.00 0.00 C ATOM 266 O ALA A 18 6.424 -8.259 -0.536 1.00 0.00 O ATOM 267 CB ALA A 18 5.139 -10.695 0.292 1.00 0.00 C ATOM 0 H ALA A 18 3.698 -8.542 0.801 1.00 0.00 H new ATOM 0 HA ALA A 18 5.889 -10.002 2.153 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.048 -11.244 0.047 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.425 -11.369 0.765 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.704 -10.287 -0.621 1.00 0.00 H new ATOM 273 N ALA A 19 7.459 -8.206 1.458 1.00 0.00 N ATOM 274 CA ALA A 19 8.452 -7.223 1.054 1.00 0.00 C ATOM 275 C ALA A 19 9.707 -7.371 1.895 1.00 0.00 C ATOM 276 O ALA A 19 9.812 -8.301 2.700 1.00 0.00 O ATOM 277 CB ALA A 19 7.891 -5.812 1.191 1.00 0.00 C ATOM 0 H ALA A 19 7.566 -8.538 2.416 1.00 0.00 H new ATOM 0 HA ALA A 19 8.706 -7.396 0.008 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.647 -5.089 0.885 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.011 -5.707 0.557 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.614 -5.630 2.229 1.00 0.00 H new ATOM 283 N GLU A 20 10.664 -6.472 1.686 1.00 0.00 N ATOM 284 CA GLU A 20 11.851 -6.411 2.525 1.00 0.00 C ATOM 285 C GLU A 20 11.439 -6.324 3.991 1.00 0.00 C ATOM 286 O GLU A 20 10.467 -5.642 4.327 1.00 0.00 O ATOM 287 CB GLU A 20 12.668 -5.174 2.154 1.00 0.00 C ATOM 288 CG GLU A 20 14.019 -5.457 1.523 1.00 0.00 C ATOM 289 CD GLU A 20 15.039 -5.938 2.532 1.00 0.00 C ATOM 290 OE1 GLU A 20 15.192 -5.284 3.585 1.00 0.00 O ATOM 291 OE2 GLU A 20 15.680 -6.976 2.285 1.00 0.00 O ATOM 0 H GLU A 20 10.638 -5.776 0.941 1.00 0.00 H new ATOM 0 HA GLU A 20 12.451 -7.308 2.371 1.00 0.00 H new ATOM 0 HB2 GLU A 20 12.083 -4.565 1.464 1.00 0.00 H new ATOM 0 HB3 GLU A 20 12.823 -4.577 3.053 1.00 0.00 H new ATOM 0 HG2 GLU A 20 13.902 -6.209 0.743 1.00 0.00 H new ATOM 0 HG3 GLU A 20 14.388 -4.552 1.041 1.00 0.00 H new ATOM 298 N PRO A 21 12.176 -6.993 4.882 1.00 0.00 N ATOM 299 CA PRO A 21 11.886 -6.968 6.313 1.00 0.00 C ATOM 300 C PRO A 21 11.925 -5.550 6.868 1.00 0.00 C ATOM 301 O PRO A 21 11.116 -5.182 7.720 1.00 0.00 O ATOM 302 CB PRO A 21 12.982 -7.833 6.948 1.00 0.00 C ATOM 303 CG PRO A 21 13.999 -8.073 5.879 1.00 0.00 C ATOM 304 CD PRO A 21 13.321 -7.848 4.555 1.00 0.00 C ATOM 0 HA PRO A 21 10.885 -7.341 6.528 1.00 0.00 H new ATOM 0 HB2 PRO A 21 13.429 -7.327 7.804 1.00 0.00 H new ATOM 0 HB3 PRO A 21 12.572 -8.775 7.313 1.00 0.00 H new ATOM 0 HG2 PRO A 21 14.846 -7.397 5.996 1.00 0.00 H new ATOM 0 HG3 PRO A 21 14.390 -9.088 5.942 1.00 0.00 H new ATOM 0 HD2 PRO A 21 13.989 -7.365 3.842 1.00 0.00 H new ATOM 0 HD3 PRO A 21 13.001 -8.788 4.106 1.00 0.00 H new ATOM 312 N ALA A 22 12.853 -4.751 6.356 1.00 0.00 N ATOM 313 CA ALA A 22 12.979 -3.364 6.772 1.00 0.00 C ATOM 314 C ALA A 22 11.867 -2.507 6.175 1.00 0.00 C ATOM 315 O ALA A 22 11.388 -1.565 6.807 1.00 0.00 O ATOM 316 CB ALA A 22 14.335 -2.814 6.368 1.00 0.00 C ATOM 0 H ALA A 22 13.530 -5.043 5.651 1.00 0.00 H new ATOM 0 HA ALA A 22 12.890 -3.329 7.858 1.00 0.00 H new ATOM 0 HB1 ALA A 22 14.415 -1.774 6.686 1.00 0.00 H new ATOM 0 HB2 ALA A 22 15.122 -3.400 6.843 1.00 0.00 H new ATOM 0 HB3 ALA A 22 14.443 -2.872 5.285 1.00 0.00 H new ATOM 322 N VAL A 23 11.444 -2.853 4.964 1.00 0.00 N ATOM 323 CA VAL A 23 10.417 -2.092 4.269 1.00 0.00 C ATOM 324 C VAL A 23 9.060 -2.350 4.901 1.00 0.00 C ATOM 325 O VAL A 23 8.310 -1.419 5.190 1.00 0.00 O ATOM 326 CB VAL A 23 10.378 -2.446 2.765 1.00 0.00 C ATOM 327 CG1 VAL A 23 9.117 -1.909 2.096 1.00 0.00 C ATOM 328 CG2 VAL A 23 11.614 -1.905 2.064 1.00 0.00 C ATOM 0 H VAL A 23 11.798 -3.656 4.445 1.00 0.00 H new ATOM 0 HA VAL A 23 10.661 -1.034 4.360 1.00 0.00 H new ATOM 0 HB VAL A 23 10.365 -3.533 2.680 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.124 -2.177 1.039 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.239 -2.342 2.575 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.086 -0.824 2.195 1.00 0.00 H new ATOM 0 HG21 VAL A 23 11.573 -2.162 1.005 1.00 0.00 H new ATOM 0 HG22 VAL A 23 11.649 -0.821 2.174 1.00 0.00 H new ATOM 0 HG23 VAL A 23 12.507 -2.344 2.510 1.00 0.00 H new ATOM 338 N ARG A 24 8.767 -3.620 5.139 1.00 0.00 N ATOM 339 CA ARG A 24 7.534 -4.011 5.798 1.00 0.00 C ATOM 340 C ARG A 24 7.460 -3.376 7.182 1.00 0.00 C ATOM 341 O ARG A 24 6.418 -2.871 7.587 1.00 0.00 O ATOM 342 CB ARG A 24 7.451 -5.535 5.897 1.00 0.00 C ATOM 343 CG ARG A 24 6.159 -6.034 6.524 1.00 0.00 C ATOM 344 CD ARG A 24 6.023 -7.542 6.405 1.00 0.00 C ATOM 345 NE ARG A 24 7.141 -8.260 7.017 1.00 0.00 N ATOM 346 CZ ARG A 24 7.474 -9.515 6.703 1.00 0.00 C ATOM 347 NH1 ARG A 24 6.797 -10.170 5.762 1.00 0.00 N ATOM 348 NH2 ARG A 24 8.491 -10.112 7.314 1.00 0.00 N ATOM 0 H ARG A 24 9.372 -4.400 4.883 1.00 0.00 H new ATOM 0 HA ARG A 24 6.687 -3.659 5.210 1.00 0.00 H new ATOM 0 HB2 ARG A 24 7.549 -5.962 4.899 1.00 0.00 H new ATOM 0 HB3 ARG A 24 8.294 -5.899 6.484 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.130 -5.748 7.575 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.310 -5.553 6.039 1.00 0.00 H new ATOM 0 HD2 ARG A 24 5.092 -7.857 6.877 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.955 -7.814 5.352 1.00 0.00 H new ATOM 0 HE ARG A 24 7.697 -7.776 7.722 1.00 0.00 H new ATOM 0 HH11 ARG A 24 6.023 -9.714 5.280 1.00 0.00 H new ATOM 0 HH12 ARG A 24 7.053 -11.128 5.523 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.022 -9.612 8.027 1.00 0.00 H new ATOM 0 HH22 ARG A 24 8.741 -11.070 7.070 1.00 0.00 H new ATOM 362 N ARG A 25 8.586 -3.386 7.884 1.00 0.00 N ATOM 363 CA ARG A 25 8.694 -2.745 9.187 1.00 0.00 C ATOM 364 C ARG A 25 8.396 -1.253 9.058 1.00 0.00 C ATOM 365 O ARG A 25 7.556 -0.721 9.773 1.00 0.00 O ATOM 366 CB ARG A 25 10.103 -2.966 9.750 1.00 0.00 C ATOM 367 CG ARG A 25 10.353 -2.358 11.121 1.00 0.00 C ATOM 368 CD ARG A 25 9.539 -3.038 12.212 1.00 0.00 C ATOM 369 NE ARG A 25 10.076 -2.743 13.542 1.00 0.00 N ATOM 370 CZ ARG A 25 9.640 -3.300 14.674 1.00 0.00 C ATOM 371 NH1 ARG A 25 8.586 -4.107 14.669 1.00 0.00 N ATOM 372 NH2 ARG A 25 10.249 -3.036 15.822 1.00 0.00 N ATOM 0 H ARG A 25 9.445 -3.836 7.568 1.00 0.00 H new ATOM 0 HA ARG A 25 7.968 -3.184 9.871 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.291 -4.038 9.806 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.827 -2.551 9.048 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.413 -2.434 11.362 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.107 -1.296 11.095 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.502 -2.706 12.155 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.538 -4.116 12.049 1.00 0.00 H new ATOM 0 HE ARG A 25 10.835 -2.065 13.608 1.00 0.00 H new ATOM 0 HH11 ARG A 25 8.101 -4.307 13.794 1.00 0.00 H new ATOM 0 HH12 ARG A 25 8.261 -4.527 15.540 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.052 -2.407 15.841 1.00 0.00 H new ATOM 0 HH22 ARG A 25 9.915 -3.462 16.686 1.00 0.00 H new ATOM 386 N ARG A 26 9.059 -0.601 8.104 1.00 0.00 N ATOM 387 CA ARG A 26 8.895 0.831 7.875 1.00 0.00 C ATOM 388 C ARG A 26 7.434 1.177 7.605 1.00 0.00 C ATOM 389 O ARG A 26 6.897 2.134 8.169 1.00 0.00 O ATOM 390 CB ARG A 26 9.762 1.274 6.690 1.00 0.00 C ATOM 391 CG ARG A 26 9.637 2.751 6.364 1.00 0.00 C ATOM 392 CD ARG A 26 10.471 3.133 5.148 1.00 0.00 C ATOM 393 NE ARG A 26 10.349 4.555 4.826 1.00 0.00 N ATOM 394 CZ ARG A 26 10.866 5.131 3.736 1.00 0.00 C ATOM 395 NH1 ARG A 26 11.526 4.411 2.831 1.00 0.00 N ATOM 396 NH2 ARG A 26 10.717 6.437 3.554 1.00 0.00 N ATOM 0 H ARG A 26 9.722 -1.049 7.471 1.00 0.00 H new ATOM 0 HA ARG A 26 9.213 1.359 8.774 1.00 0.00 H new ATOM 0 HB2 ARG A 26 10.805 1.046 6.909 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.486 0.692 5.811 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.591 2.995 6.179 1.00 0.00 H new ATOM 0 HG3 ARG A 26 9.955 3.341 7.223 1.00 0.00 H new ATOM 0 HD2 ARG A 26 11.517 2.892 5.336 1.00 0.00 H new ATOM 0 HD3 ARG A 26 10.156 2.539 4.291 1.00 0.00 H new ATOM 0 HE ARG A 26 9.834 5.147 5.478 1.00 0.00 H new ATOM 0 HH11 ARG A 26 11.642 3.407 2.965 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.915 4.864 2.004 1.00 0.00 H new ATOM 0 HH21 ARG A 26 10.211 6.994 4.243 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.108 6.884 2.725 1.00 0.00 H new ATOM 410 N LEU A 27 6.797 0.388 6.748 1.00 0.00 N ATOM 411 CA LEU A 27 5.401 0.602 6.398 1.00 0.00 C ATOM 412 C LEU A 27 4.500 0.385 7.608 1.00 0.00 C ATOM 413 O LEU A 27 3.565 1.152 7.842 1.00 0.00 O ATOM 414 CB LEU A 27 4.984 -0.336 5.261 1.00 0.00 C ATOM 415 CG LEU A 27 5.731 -0.134 3.942 1.00 0.00 C ATOM 416 CD1 LEU A 27 5.234 -1.119 2.895 1.00 0.00 C ATOM 417 CD2 LEU A 27 5.571 1.296 3.449 1.00 0.00 C ATOM 0 H LEU A 27 7.229 -0.409 6.281 1.00 0.00 H new ATOM 0 HA LEU A 27 5.291 1.634 6.064 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.130 -1.365 5.589 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.917 -0.208 5.079 1.00 0.00 H new ATOM 0 HG LEU A 27 6.791 -0.319 4.115 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.775 -0.962 1.962 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.402 -2.138 3.245 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.168 -0.964 2.726 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.110 1.419 2.510 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.514 1.511 3.292 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.975 1.984 4.192 1.00 0.00 H new ATOM 429 N MET A 28 4.803 -0.640 8.393 1.00 0.00 N ATOM 430 CA MET A 28 3.980 -0.978 9.545 1.00 0.00 C ATOM 431 C MET A 28 4.207 0.011 10.681 1.00 0.00 C ATOM 432 O MET A 28 3.293 0.295 11.454 1.00 0.00 O ATOM 433 CB MET A 28 4.244 -2.415 10.004 1.00 0.00 C ATOM 434 CG MET A 28 3.747 -3.455 9.009 1.00 0.00 C ATOM 435 SD MET A 28 3.469 -5.077 9.745 1.00 0.00 S ATOM 436 CE MET A 28 5.099 -5.447 10.373 1.00 0.00 C ATOM 0 H MET A 28 5.609 -1.249 8.254 1.00 0.00 H new ATOM 0 HA MET A 28 2.934 -0.911 9.245 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.314 -2.551 10.160 1.00 0.00 H new ATOM 0 HB3 MET A 28 3.759 -2.579 10.966 1.00 0.00 H new ATOM 0 HG2 MET A 28 2.817 -3.103 8.562 1.00 0.00 H new ATOM 0 HG3 MET A 28 4.473 -3.550 8.202 1.00 0.00 H new ATOM 0 HE1 MET A 28 5.263 -6.524 10.347 1.00 0.00 H new ATOM 0 HE2 MET A 28 5.848 -4.951 9.755 1.00 0.00 H new ATOM 0 HE3 MET A 28 5.183 -5.092 11.400 1.00 0.00 H new ATOM 446 N ASP A 29 5.422 0.544 10.763 1.00 0.00 N ATOM 447 CA ASP A 29 5.727 1.604 11.718 1.00 0.00 C ATOM 448 C ASP A 29 4.925 2.857 11.390 1.00 0.00 C ATOM 449 O ASP A 29 4.571 3.633 12.281 1.00 0.00 O ATOM 450 CB ASP A 29 7.221 1.948 11.722 1.00 0.00 C ATOM 451 CG ASP A 29 8.082 0.888 12.382 1.00 0.00 C ATOM 452 OD1 ASP A 29 7.727 0.427 13.486 1.00 0.00 O ATOM 453 OD2 ASP A 29 9.136 0.540 11.817 1.00 0.00 O ATOM 0 H ASP A 29 6.210 0.260 10.181 1.00 0.00 H new ATOM 0 HA ASP A 29 5.454 1.238 12.708 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.556 2.090 10.695 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.366 2.897 12.238 1.00 0.00 H new ATOM 458 N LEU A 30 4.653 3.058 10.103 1.00 0.00 N ATOM 459 CA LEU A 30 3.816 4.163 9.666 1.00 0.00 C ATOM 460 C LEU A 30 2.370 3.889 10.040 1.00 0.00 C ATOM 461 O LEU A 30 1.686 4.745 10.598 1.00 0.00 O ATOM 462 CB LEU A 30 3.931 4.372 8.152 1.00 0.00 C ATOM 463 CG LEU A 30 5.303 4.832 7.658 1.00 0.00 C ATOM 464 CD1 LEU A 30 5.314 4.925 6.141 1.00 0.00 C ATOM 465 CD2 LEU A 30 5.672 6.174 8.274 1.00 0.00 C ATOM 0 H LEU A 30 5.002 2.468 9.348 1.00 0.00 H new ATOM 0 HA LEU A 30 4.156 5.071 10.164 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.678 3.437 7.653 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.187 5.108 7.846 1.00 0.00 H new ATOM 0 HG LEU A 30 6.045 4.096 7.968 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.297 5.254 5.804 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.093 3.946 5.715 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.560 5.642 5.815 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.652 6.484 7.910 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.928 6.920 7.994 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.701 6.080 9.360 1.00 0.00 H new ATOM 477 N GLY A 31 1.920 2.677 9.754 1.00 0.00 N ATOM 478 CA GLY A 31 0.556 2.302 10.059 1.00 0.00 C ATOM 479 C GLY A 31 -0.005 1.308 9.064 1.00 0.00 C ATOM 480 O GLY A 31 -1.146 0.863 9.200 1.00 0.00 O ATOM 0 H GLY A 31 2.477 1.944 9.315 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.515 1.873 11.060 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.070 3.194 10.069 1.00 0.00 H new ATOM 484 N LEU A 32 0.792 0.961 8.061 1.00 0.00 N ATOM 485 CA LEU A 32 0.372 0.002 7.051 1.00 0.00 C ATOM 486 C LEU A 32 0.605 -1.414 7.570 1.00 0.00 C ATOM 487 O LEU A 32 1.649 -2.017 7.329 1.00 0.00 O ATOM 488 CB LEU A 32 1.137 0.250 5.736 1.00 0.00 C ATOM 489 CG LEU A 32 0.534 -0.375 4.467 1.00 0.00 C ATOM 490 CD1 LEU A 32 1.089 0.311 3.229 1.00 0.00 C ATOM 491 CD2 LEU A 32 0.821 -1.869 4.394 1.00 0.00 C ATOM 0 H LEU A 32 1.733 1.331 7.927 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.691 0.124 6.845 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.214 1.326 5.583 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.152 -0.129 5.854 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.546 -0.234 4.509 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.654 -0.141 2.337 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.839 1.371 3.258 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.172 0.195 3.203 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.381 -2.280 3.485 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.899 -2.032 4.382 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.389 -2.365 5.263 1.00 0.00 H new ATOM 503 N VAL A 33 -0.358 -1.914 8.326 1.00 0.00 N ATOM 504 CA VAL A 33 -0.285 -3.255 8.889 1.00 0.00 C ATOM 505 C VAL A 33 -1.478 -4.078 8.425 1.00 0.00 C ATOM 506 O VAL A 33 -2.276 -3.614 7.610 1.00 0.00 O ATOM 507 CB VAL A 33 -0.276 -3.223 10.435 1.00 0.00 C ATOM 508 CG1 VAL A 33 0.925 -2.457 10.959 1.00 0.00 C ATOM 509 CG2 VAL A 33 -1.562 -2.612 10.966 1.00 0.00 C ATOM 0 H VAL A 33 -1.209 -1.406 8.567 1.00 0.00 H new ATOM 0 HA VAL A 33 0.645 -3.705 8.543 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.205 -4.251 10.789 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.905 -2.451 12.049 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.841 -2.937 10.615 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.892 -1.432 10.590 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.536 -2.599 12.056 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.662 -1.593 10.593 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.412 -3.206 10.631 1.00 0.00 H new ATOM 519 N ARG A 34 -1.605 -5.293 8.939 1.00 0.00 N ATOM 520 CA ARG A 34 -2.789 -6.094 8.676 1.00 0.00 C ATOM 521 C ARG A 34 -3.990 -5.449 9.354 1.00 0.00 C ATOM 522 O ARG A 34 -4.044 -5.350 10.582 1.00 0.00 O ATOM 523 CB ARG A 34 -2.608 -7.530 9.174 1.00 0.00 C ATOM 524 CG ARG A 34 -3.876 -8.363 9.069 1.00 0.00 C ATOM 525 CD ARG A 34 -3.659 -9.784 9.555 1.00 0.00 C ATOM 526 NE ARG A 34 -2.843 -10.570 8.627 1.00 0.00 N ATOM 527 CZ ARG A 34 -2.150 -11.652 8.984 1.00 0.00 C ATOM 528 NH1 ARG A 34 -2.040 -11.980 10.264 1.00 0.00 N ATOM 529 NH2 ARG A 34 -1.530 -12.380 8.064 1.00 0.00 N ATOM 0 H ARG A 34 -0.909 -5.741 9.535 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.952 -6.135 7.599 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.816 -8.010 8.599 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.279 -7.509 10.213 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.667 -7.895 9.655 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.214 -8.381 8.033 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.175 -9.762 10.532 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.625 -10.271 9.689 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.802 -10.273 7.652 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.486 -11.404 10.978 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -1.509 -12.808 10.534 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.583 -12.112 7.081 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.001 -13.207 8.340 1.00 0.00 H new ATOM 543 N GLY A 35 -4.944 -5.012 8.550 1.00 0.00 N ATOM 544 CA GLY A 35 -6.088 -4.295 9.074 1.00 0.00 C ATOM 545 C GLY A 35 -6.030 -2.815 8.760 1.00 0.00 C ATOM 546 O GLY A 35 -6.944 -2.062 9.102 1.00 0.00 O ATOM 0 H GLY A 35 -4.948 -5.141 7.538 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.002 -4.718 8.656 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.138 -4.434 10.154 1.00 0.00 H new ATOM 550 N ALA A 36 -4.955 -2.394 8.107 1.00 0.00 N ATOM 551 CA ALA A 36 -4.819 -1.011 7.684 1.00 0.00 C ATOM 552 C ALA A 36 -5.702 -0.729 6.476 1.00 0.00 C ATOM 553 O ALA A 36 -5.631 -1.435 5.469 1.00 0.00 O ATOM 554 CB ALA A 36 -3.369 -0.694 7.357 1.00 0.00 C ATOM 0 H ALA A 36 -4.166 -2.992 7.860 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.140 -0.371 8.506 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.286 0.346 7.042 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.753 -0.855 8.242 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.027 -1.345 6.553 1.00 0.00 H new ATOM 560 N LYS A 37 -6.528 0.300 6.583 1.00 0.00 N ATOM 561 CA LYS A 37 -7.421 0.686 5.501 1.00 0.00 C ATOM 562 C LYS A 37 -6.798 1.817 4.699 1.00 0.00 C ATOM 563 O LYS A 37 -6.374 2.827 5.266 1.00 0.00 O ATOM 564 CB LYS A 37 -8.770 1.127 6.069 1.00 0.00 C ATOM 565 CG LYS A 37 -9.513 0.020 6.799 1.00 0.00 C ATOM 566 CD LYS A 37 -10.681 0.571 7.597 1.00 0.00 C ATOM 567 CE LYS A 37 -11.529 -0.538 8.202 1.00 0.00 C ATOM 568 NZ LYS A 37 -10.725 -1.502 9.001 1.00 0.00 N ATOM 0 H LYS A 37 -6.599 0.887 7.414 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.579 -0.170 4.845 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.612 1.960 6.754 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.394 1.497 5.256 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.876 -0.713 6.079 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.828 -0.502 7.467 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.306 1.215 8.392 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.302 1.191 6.950 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.297 -0.097 8.837 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.043 -1.073 7.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.362 -2.123 9.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.138 -2.077 8.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.112 -0.981 9.659 1.00 0.00 H new ATOM 582 N LEU A 38 -6.730 1.652 3.390 1.00 0.00 N ATOM 583 CA LEU A 38 -6.091 2.648 2.550 1.00 0.00 C ATOM 584 C LEU A 38 -6.862 2.869 1.257 1.00 0.00 C ATOM 585 O LEU A 38 -7.502 1.955 0.731 1.00 0.00 O ATOM 586 CB LEU A 38 -4.643 2.247 2.230 1.00 0.00 C ATOM 587 CG LEU A 38 -4.461 0.976 1.395 1.00 0.00 C ATOM 588 CD1 LEU A 38 -3.074 0.956 0.776 1.00 0.00 C ATOM 589 CD2 LEU A 38 -4.661 -0.270 2.244 1.00 0.00 C ATOM 0 H LEU A 38 -7.105 0.846 2.890 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.086 3.584 3.109 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.167 3.074 1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.108 2.118 3.171 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.213 0.979 0.606 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.953 0.049 0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.950 1.828 0.134 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.323 0.977 1.566 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.526 -1.157 1.625 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.933 -0.279 3.055 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.668 -0.268 2.661 1.00 0.00 H new ATOM 601 N LYS A 39 -6.802 4.094 0.763 1.00 0.00 N ATOM 602 CA LYS A 39 -7.375 4.435 -0.524 1.00 0.00 C ATOM 603 C LYS A 39 -6.252 4.725 -1.510 1.00 0.00 C ATOM 604 O LYS A 39 -5.371 5.540 -1.229 1.00 0.00 O ATOM 605 CB LYS A 39 -8.287 5.665 -0.413 1.00 0.00 C ATOM 606 CG LYS A 39 -8.916 6.065 -1.740 1.00 0.00 C ATOM 607 CD LYS A 39 -9.587 7.433 -1.686 1.00 0.00 C ATOM 608 CE LYS A 39 -10.822 7.449 -0.794 1.00 0.00 C ATOM 609 NZ LYS A 39 -10.495 7.718 0.632 1.00 0.00 N ATOM 0 H LYS A 39 -6.356 4.876 1.242 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.974 3.594 -0.872 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -9.077 5.460 0.309 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.710 6.504 -0.024 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.148 6.072 -2.514 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.652 5.315 -2.029 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.871 8.170 -1.321 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.869 7.735 -2.695 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -11.515 8.209 -1.153 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -11.333 6.489 -0.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.851 6.940 1.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.464 7.793 0.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.941 8.609 0.928 1.00 0.00 H new ATOM 623 N VAL A 40 -6.268 4.043 -2.644 1.00 0.00 N ATOM 624 CA VAL A 40 -5.305 4.309 -3.701 1.00 0.00 C ATOM 625 C VAL A 40 -5.609 5.659 -4.324 1.00 0.00 C ATOM 626 O VAL A 40 -6.574 5.799 -5.066 1.00 0.00 O ATOM 627 CB VAL A 40 -5.333 3.209 -4.787 1.00 0.00 C ATOM 628 CG1 VAL A 40 -4.452 3.570 -5.981 1.00 0.00 C ATOM 629 CG2 VAL A 40 -4.905 1.878 -4.194 1.00 0.00 C ATOM 0 H VAL A 40 -6.936 3.302 -2.856 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.307 4.314 -3.263 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.357 3.126 -5.150 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -4.499 2.772 -6.722 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.806 4.500 -6.426 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.422 3.696 -5.648 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.928 1.111 -4.968 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.893 1.964 -3.799 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.586 1.602 -3.389 1.00 0.00 H new ATOM 639 N LEU A 41 -4.807 6.654 -3.991 1.00 0.00 N ATOM 640 CA LEU A 41 -5.044 8.007 -4.464 1.00 0.00 C ATOM 641 C LEU A 41 -4.734 8.110 -5.944 1.00 0.00 C ATOM 642 O LEU A 41 -5.612 8.400 -6.754 1.00 0.00 O ATOM 643 CB LEU A 41 -4.193 9.006 -3.682 1.00 0.00 C ATOM 644 CG LEU A 41 -4.466 9.056 -2.178 1.00 0.00 C ATOM 645 CD1 LEU A 41 -3.559 10.070 -1.503 1.00 0.00 C ATOM 646 CD2 LEU A 41 -5.927 9.387 -1.912 1.00 0.00 C ATOM 0 H LEU A 41 -3.986 6.551 -3.395 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.096 8.245 -4.306 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.142 8.763 -3.836 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.355 10.001 -4.098 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.253 8.073 -1.758 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.769 10.091 -0.434 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.518 9.790 -1.663 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.739 11.058 -1.927 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.103 9.418 -0.837 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.165 10.358 -2.347 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.561 8.623 -2.361 1.00 0.00 H new ATOM 658 N ARG A 42 -3.484 7.853 -6.293 1.00 0.00 N ATOM 659 CA ARG A 42 -3.049 7.947 -7.672 1.00 0.00 C ATOM 660 C ARG A 42 -1.775 7.164 -7.894 1.00 0.00 C ATOM 661 O ARG A 42 -0.988 6.950 -6.972 1.00 0.00 O ATOM 662 CB ARG A 42 -2.800 9.404 -8.072 1.00 0.00 C ATOM 663 CG ARG A 42 -3.916 10.022 -8.895 1.00 0.00 C ATOM 664 CD ARG A 42 -3.502 11.372 -9.459 1.00 0.00 C ATOM 665 NE ARG A 42 -4.505 11.909 -10.376 1.00 0.00 N ATOM 666 CZ ARG A 42 -4.231 12.386 -11.590 1.00 0.00 C ATOM 667 NH1 ARG A 42 -2.975 12.463 -12.015 1.00 0.00 N ATOM 668 NH2 ARG A 42 -5.216 12.812 -12.371 1.00 0.00 N ATOM 0 H ARG A 42 -2.753 7.577 -5.637 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.847 7.530 -8.287 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.658 9.998 -7.169 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.871 9.460 -8.640 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.184 9.351 -9.711 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.805 10.141 -8.276 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.345 12.075 -8.641 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.550 11.271 -9.980 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.477 11.919 -10.067 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -2.213 12.156 -11.411 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -2.773 12.829 -12.945 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -6.181 12.774 -12.042 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -5.008 13.177 -13.300 1.00 0.00 H new ATOM 682 N PHE A 43 -1.598 6.722 -9.119 1.00 0.00 N ATOM 683 CA PHE A 43 -0.318 6.235 -9.570 1.00 0.00 C ATOM 684 C PHE A 43 0.402 7.416 -10.194 1.00 0.00 C ATOM 685 O PHE A 43 -0.253 8.361 -10.640 1.00 0.00 O ATOM 686 CB PHE A 43 -0.484 5.116 -10.608 1.00 0.00 C ATOM 687 CG PHE A 43 -1.432 4.021 -10.196 1.00 0.00 C ATOM 688 CD1 PHE A 43 -2.786 4.109 -10.484 1.00 0.00 C ATOM 689 CD2 PHE A 43 -0.966 2.902 -9.530 1.00 0.00 C ATOM 690 CE1 PHE A 43 -3.655 3.100 -10.111 1.00 0.00 C ATOM 691 CE2 PHE A 43 -1.831 1.891 -9.155 1.00 0.00 C ATOM 692 CZ PHE A 43 -3.176 1.991 -9.445 1.00 0.00 C ATOM 0 H PHE A 43 -2.333 6.691 -9.825 1.00 0.00 H new ATOM 0 HA PHE A 43 0.244 5.817 -8.735 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -0.837 5.553 -11.542 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.493 4.677 -10.810 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -3.166 4.975 -11.005 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.086 2.817 -9.300 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.707 3.180 -10.341 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.454 1.023 -8.635 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.853 1.202 -9.151 1.00 0.00 H new ATOM 702 N ALA A 44 1.723 7.396 -10.205 1.00 0.00 N ATOM 703 CA ALA A 44 2.477 8.452 -10.858 1.00 0.00 C ATOM 704 C ALA A 44 2.082 8.541 -12.330 1.00 0.00 C ATOM 705 O ALA A 44 1.623 7.555 -12.907 1.00 0.00 O ATOM 706 CB ALA A 44 3.969 8.203 -10.715 1.00 0.00 C ATOM 0 H ALA A 44 2.292 6.668 -9.774 1.00 0.00 H new ATOM 0 HA ALA A 44 2.244 9.402 -10.378 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.520 9.003 -11.209 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.234 8.179 -9.658 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.224 7.248 -11.175 1.00 0.00 H new ATOM 712 N PRO A 45 2.260 9.720 -12.954 1.00 0.00 N ATOM 713 CA PRO A 45 1.891 9.971 -14.365 1.00 0.00 C ATOM 714 C PRO A 45 2.580 9.041 -15.376 1.00 0.00 C ATOM 715 O PRO A 45 2.455 9.231 -16.587 1.00 0.00 O ATOM 716 CB PRO A 45 2.325 11.423 -14.606 1.00 0.00 C ATOM 717 CG PRO A 45 3.264 11.747 -13.496 1.00 0.00 C ATOM 718 CD PRO A 45 2.818 10.928 -12.322 1.00 0.00 C ATOM 0 HA PRO A 45 0.828 9.785 -14.515 1.00 0.00 H new ATOM 0 HB2 PRO A 45 2.811 11.532 -15.576 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.467 12.095 -14.603 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.291 11.506 -13.771 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.238 12.811 -13.261 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.648 10.689 -11.658 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.072 11.452 -11.724 1.00 0.00 H new ATOM 726 N LEU A 46 3.283 8.032 -14.881 1.00 0.00 N ATOM 727 CA LEU A 46 4.002 7.097 -15.732 1.00 0.00 C ATOM 728 C LEU A 46 3.693 5.658 -15.323 1.00 0.00 C ATOM 729 O LEU A 46 3.604 4.774 -16.172 1.00 0.00 O ATOM 730 CB LEU A 46 5.511 7.340 -15.643 1.00 0.00 C ATOM 731 CG LEU A 46 5.984 8.733 -16.068 1.00 0.00 C ATOM 732 CD1 LEU A 46 7.479 8.875 -15.835 1.00 0.00 C ATOM 733 CD2 LEU A 46 5.648 8.991 -17.530 1.00 0.00 C ATOM 0 H LEU A 46 3.370 7.840 -13.883 1.00 0.00 H new ATOM 0 HA LEU A 46 3.676 7.255 -16.760 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.829 7.166 -14.615 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.017 6.600 -16.262 1.00 0.00 H new ATOM 0 HG LEU A 46 5.464 9.474 -15.461 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.802 9.870 -16.141 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.697 8.732 -14.777 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.011 8.125 -16.420 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.992 9.986 -17.812 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.141 8.246 -18.154 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.569 8.926 -17.672 1.00 0.00 H new ATOM 745 N GLY A 47 3.548 5.419 -14.022 1.00 0.00 N ATOM 746 CA GLY A 47 3.202 4.087 -13.554 1.00 0.00 C ATOM 747 C GLY A 47 3.699 3.809 -12.149 1.00 0.00 C ATOM 748 O GLY A 47 3.146 2.972 -11.437 1.00 0.00 O ATOM 0 H GLY A 47 3.663 6.118 -13.288 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.119 3.967 -13.581 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.622 3.347 -14.236 1.00 0.00 H new ATOM 752 N ASP A 48 4.750 4.515 -11.763 1.00 0.00 N ATOM 753 CA ASP A 48 5.411 4.317 -10.476 1.00 0.00 C ATOM 754 C ASP A 48 6.043 5.630 -10.028 1.00 0.00 C ATOM 755 O ASP A 48 6.556 6.383 -10.860 1.00 0.00 O ATOM 756 CB ASP A 48 6.479 3.222 -10.621 1.00 0.00 C ATOM 757 CG ASP A 48 7.413 3.110 -9.430 1.00 0.00 C ATOM 758 OD1 ASP A 48 8.465 3.786 -9.429 1.00 0.00 O ATOM 759 OD2 ASP A 48 7.114 2.329 -8.505 1.00 0.00 O ATOM 0 H ASP A 48 5.173 5.246 -12.334 1.00 0.00 H new ATOM 0 HA ASP A 48 4.687 4.004 -9.724 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.983 2.263 -10.773 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.069 3.421 -11.515 1.00 0.00 H new ATOM 764 N PRO A 49 6.013 5.946 -8.725 1.00 0.00 N ATOM 765 CA PRO A 49 5.438 5.083 -7.693 1.00 0.00 C ATOM 766 C PRO A 49 3.927 5.261 -7.531 1.00 0.00 C ATOM 767 O PRO A 49 3.263 5.879 -8.368 1.00 0.00 O ATOM 768 CB PRO A 49 6.172 5.549 -6.437 1.00 0.00 C ATOM 769 CG PRO A 49 6.401 7.004 -6.658 1.00 0.00 C ATOM 770 CD PRO A 49 6.562 7.189 -8.147 1.00 0.00 C ATOM 0 HA PRO A 49 5.557 4.025 -7.926 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.577 5.372 -5.541 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.113 5.014 -6.306 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.563 7.590 -6.282 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.290 7.342 -6.126 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.020 8.066 -8.501 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.608 7.328 -8.421 1.00 0.00 H new ATOM 778 N ILE A 50 3.397 4.705 -6.452 1.00 0.00 N ATOM 779 CA ILE A 50 1.971 4.781 -6.152 1.00 0.00 C ATOM 780 C ILE A 50 1.740 5.548 -4.850 1.00 0.00 C ATOM 781 O ILE A 50 2.450 5.342 -3.863 1.00 0.00 O ATOM 782 CB ILE A 50 1.358 3.368 -6.019 1.00 0.00 C ATOM 783 CG1 ILE A 50 1.706 2.514 -7.244 1.00 0.00 C ATOM 784 CG2 ILE A 50 -0.154 3.458 -5.841 1.00 0.00 C ATOM 785 CD1 ILE A 50 1.230 1.080 -7.140 1.00 0.00 C ATOM 0 H ILE A 50 3.940 4.189 -5.760 1.00 0.00 H new ATOM 0 HA ILE A 50 1.487 5.304 -6.977 1.00 0.00 H new ATOM 0 HB ILE A 50 1.781 2.890 -5.136 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.266 2.970 -8.131 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.787 2.520 -7.385 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.570 2.455 -5.749 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.381 4.029 -4.941 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.593 3.955 -6.706 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.512 0.537 -8.042 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.690 0.606 -6.273 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.146 1.064 -7.030 1.00 0.00 H new ATOM 797 N GLU A 51 0.756 6.437 -4.854 1.00 0.00 N ATOM 798 CA GLU A 51 0.400 7.184 -3.658 1.00 0.00 C ATOM 799 C GLU A 51 -0.874 6.614 -3.049 1.00 0.00 C ATOM 800 O GLU A 51 -1.930 6.615 -3.687 1.00 0.00 O ATOM 801 CB GLU A 51 0.193 8.663 -3.981 1.00 0.00 C ATOM 802 CG GLU A 51 1.392 9.325 -4.636 1.00 0.00 C ATOM 803 CD GLU A 51 1.184 10.810 -4.847 1.00 0.00 C ATOM 804 OE1 GLU A 51 1.426 11.592 -3.900 1.00 0.00 O ATOM 805 OE2 GLU A 51 0.785 11.207 -5.960 1.00 0.00 O ATOM 0 H GLU A 51 0.190 6.658 -5.674 1.00 0.00 H new ATOM 0 HA GLU A 51 1.219 7.094 -2.944 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.670 8.763 -4.640 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.045 9.196 -3.060 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.275 9.168 -4.016 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.588 8.848 -5.596 1.00 0.00 H new ATOM 812 N VAL A 52 -0.778 6.117 -1.827 1.00 0.00 N ATOM 813 CA VAL A 52 -1.935 5.556 -1.147 1.00 0.00 C ATOM 814 C VAL A 52 -2.187 6.264 0.177 1.00 0.00 C ATOM 815 O VAL A 52 -1.258 6.560 0.925 1.00 0.00 O ATOM 816 CB VAL A 52 -1.786 4.035 -0.904 1.00 0.00 C ATOM 817 CG1 VAL A 52 -1.826 3.280 -2.223 1.00 0.00 C ATOM 818 CG2 VAL A 52 -0.500 3.721 -0.151 1.00 0.00 C ATOM 0 H VAL A 52 0.086 6.090 -1.286 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.790 5.712 -1.805 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.624 3.710 -0.288 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.720 2.212 -2.034 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.777 3.468 -2.721 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.010 3.618 -2.861 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.423 2.645 0.005 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.355 4.065 -0.732 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.510 4.228 0.814 1.00 0.00 H new ATOM 828 N ASN A 53 -3.446 6.555 0.453 1.00 0.00 N ATOM 829 CA ASN A 53 -3.821 7.182 1.711 1.00 0.00 C ATOM 830 C ASN A 53 -4.207 6.104 2.712 1.00 0.00 C ATOM 831 O ASN A 53 -5.319 5.578 2.671 1.00 0.00 O ATOM 832 CB ASN A 53 -4.987 8.148 1.492 1.00 0.00 C ATOM 833 CG ASN A 53 -5.309 8.984 2.719 1.00 0.00 C ATOM 834 OD1 ASN A 53 -6.466 9.313 2.972 1.00 0.00 O ATOM 835 ND2 ASN A 53 -4.289 9.354 3.477 1.00 0.00 N ATOM 0 H ASN A 53 -4.227 6.368 -0.176 1.00 0.00 H new ATOM 0 HA ASN A 53 -2.976 7.749 2.101 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -4.750 8.811 0.660 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -5.872 7.580 1.205 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -4.450 9.931 4.302 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -3.342 9.062 3.236 1.00 0.00 H new ATOM 842 N CYS A 54 -3.286 5.777 3.603 1.00 0.00 N ATOM 843 CA CYS A 54 -3.475 4.679 4.533 1.00 0.00 C ATOM 844 C CYS A 54 -3.723 5.193 5.942 1.00 0.00 C ATOM 845 O CYS A 54 -2.857 5.836 6.537 1.00 0.00 O ATOM 846 CB CYS A 54 -2.254 3.758 4.519 1.00 0.00 C ATOM 847 SG CYS A 54 -2.423 2.288 5.557 1.00 0.00 S ATOM 0 H CYS A 54 -2.394 6.261 3.701 1.00 0.00 H new ATOM 0 HA CYS A 54 -4.352 4.115 4.216 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.061 3.444 3.493 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.382 4.324 4.849 1.00 0.00 H new ATOM 0 HG CYS A 54 -1.376 2.173 6.320 1.00 0.00 H new ATOM 853 N ASN A 55 -4.917 4.911 6.458 1.00 0.00 N ATOM 854 CA ASN A 55 -5.300 5.301 7.813 1.00 0.00 C ATOM 855 C ASN A 55 -5.103 6.801 8.033 1.00 0.00 C ATOM 856 O ASN A 55 -4.736 7.238 9.123 1.00 0.00 O ATOM 857 CB ASN A 55 -4.503 4.496 8.849 1.00 0.00 C ATOM 858 CG ASN A 55 -4.868 3.019 8.855 1.00 0.00 C ATOM 859 OD1 ASN A 55 -6.004 2.641 8.565 1.00 0.00 O ATOM 860 ND2 ASN A 55 -3.904 2.168 9.179 1.00 0.00 N ATOM 0 H ASN A 55 -5.644 4.407 5.951 1.00 0.00 H new ATOM 0 HA ASN A 55 -6.360 5.080 7.939 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.438 4.602 8.643 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.679 4.913 9.840 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -4.092 1.166 9.193 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.974 2.516 9.414 1.00 0.00 H new ATOM 867 N GLY A 56 -5.358 7.582 6.988 1.00 0.00 N ATOM 868 CA GLY A 56 -5.258 9.026 7.090 1.00 0.00 C ATOM 869 C GLY A 56 -3.914 9.556 6.628 1.00 0.00 C ATOM 870 O GLY A 56 -3.792 10.724 6.265 1.00 0.00 O ATOM 0 H GLY A 56 -5.633 7.238 6.068 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -6.048 9.483 6.494 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.425 9.325 8.125 1.00 0.00 H new ATOM 874 N MET A 57 -2.914 8.693 6.606 1.00 0.00 N ATOM 875 CA MET A 57 -1.563 9.092 6.238 1.00 0.00 C ATOM 876 C MET A 57 -1.288 8.776 4.778 1.00 0.00 C ATOM 877 O MET A 57 -1.576 7.680 4.306 1.00 0.00 O ATOM 878 CB MET A 57 -0.550 8.392 7.141 1.00 0.00 C ATOM 879 CG MET A 57 -0.549 8.916 8.568 1.00 0.00 C ATOM 880 SD MET A 57 0.302 7.812 9.710 1.00 0.00 S ATOM 881 CE MET A 57 -0.785 6.388 9.654 1.00 0.00 C ATOM 0 H MET A 57 -3.011 7.705 6.840 1.00 0.00 H new ATOM 0 HA MET A 57 -1.467 10.169 6.372 1.00 0.00 H new ATOM 0 HB2 MET A 57 -0.764 7.323 7.155 1.00 0.00 H new ATOM 0 HB3 MET A 57 0.447 8.512 6.717 1.00 0.00 H new ATOM 0 HG2 MET A 57 -0.071 9.895 8.591 1.00 0.00 H new ATOM 0 HG3 MET A 57 -1.578 9.055 8.901 1.00 0.00 H new ATOM 0 HE1 MET A 57 -0.739 5.857 10.605 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.808 6.718 9.472 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.470 5.721 8.851 1.00 0.00 H new ATOM 891 N LEU A 58 -0.757 9.748 4.057 1.00 0.00 N ATOM 892 CA LEU A 58 -0.418 9.550 2.657 1.00 0.00 C ATOM 893 C LEU A 58 0.928 8.857 2.544 1.00 0.00 C ATOM 894 O LEU A 58 1.975 9.460 2.781 1.00 0.00 O ATOM 895 CB LEU A 58 -0.390 10.877 1.893 1.00 0.00 C ATOM 896 CG LEU A 58 -1.748 11.555 1.693 1.00 0.00 C ATOM 897 CD1 LEU A 58 -2.213 12.251 2.965 1.00 0.00 C ATOM 898 CD2 LEU A 58 -1.682 12.537 0.539 1.00 0.00 C ATOM 0 H LEU A 58 -0.551 10.680 4.416 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.189 8.923 2.210 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.266 11.567 2.424 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.056 10.702 0.914 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.478 10.782 1.453 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.180 12.722 2.789 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.307 11.519 3.767 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.486 13.011 3.251 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.655 13.011 0.409 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.932 13.299 0.752 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.411 12.007 -0.374 1.00 0.00 H new ATOM 910 N LEU A 59 0.897 7.584 2.193 1.00 0.00 N ATOM 911 CA LEU A 59 2.110 6.792 2.127 1.00 0.00 C ATOM 912 C LEU A 59 2.513 6.594 0.672 1.00 0.00 C ATOM 913 O LEU A 59 1.708 6.159 -0.154 1.00 0.00 O ATOM 914 CB LEU A 59 1.928 5.425 2.807 1.00 0.00 C ATOM 915 CG LEU A 59 1.148 5.409 4.135 1.00 0.00 C ATOM 916 CD1 LEU A 59 1.336 4.078 4.844 1.00 0.00 C ATOM 917 CD2 LEU A 59 1.558 6.554 5.047 1.00 0.00 C ATOM 0 H LEU A 59 0.046 7.078 1.950 1.00 0.00 H new ATOM 0 HA LEU A 59 2.895 7.330 2.659 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.420 4.762 2.107 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.916 5.001 2.988 1.00 0.00 H new ATOM 0 HG LEU A 59 0.093 5.541 3.895 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.779 4.083 5.781 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.970 3.272 4.208 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.395 3.923 5.053 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.984 6.506 5.972 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.621 6.475 5.275 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.363 7.504 4.549 1.00 0.00 H new ATOM 929 N THR A 60 3.750 6.930 0.360 1.00 0.00 N ATOM 930 CA THR A 60 4.258 6.783 -0.991 1.00 0.00 C ATOM 931 C THR A 60 5.248 5.628 -1.064 1.00 0.00 C ATOM 932 O THR A 60 6.263 5.623 -0.368 1.00 0.00 O ATOM 933 CB THR A 60 4.939 8.078 -1.467 1.00 0.00 C ATOM 934 OG1 THR A 60 4.063 9.191 -1.246 1.00 0.00 O ATOM 935 CG2 THR A 60 5.298 7.994 -2.945 1.00 0.00 C ATOM 0 H THR A 60 4.424 7.308 1.026 1.00 0.00 H new ATOM 0 HA THR A 60 3.412 6.573 -1.645 1.00 0.00 H new ATOM 0 HB THR A 60 5.858 8.213 -0.897 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.499 10.015 -1.548 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.778 8.922 -3.256 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.981 7.160 -3.107 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.392 7.840 -3.531 1.00 0.00 H new ATOM 943 N MET A 61 4.943 4.651 -1.903 1.00 0.00 N ATOM 944 CA MET A 61 5.795 3.483 -2.054 1.00 0.00 C ATOM 945 C MET A 61 5.871 3.073 -3.517 1.00 0.00 C ATOM 946 O MET A 61 5.137 3.599 -4.356 1.00 0.00 O ATOM 947 CB MET A 61 5.295 2.329 -1.170 1.00 0.00 C ATOM 948 CG MET A 61 3.820 1.991 -1.344 1.00 0.00 C ATOM 949 SD MET A 61 3.452 1.184 -2.912 1.00 0.00 S ATOM 950 CE MET A 61 1.672 1.105 -2.828 1.00 0.00 C ATOM 0 H MET A 61 4.110 4.644 -2.491 1.00 0.00 H new ATOM 0 HA MET A 61 6.802 3.736 -1.723 1.00 0.00 H new ATOM 0 HB2 MET A 61 5.886 1.440 -1.387 1.00 0.00 H new ATOM 0 HB3 MET A 61 5.475 2.584 -0.126 1.00 0.00 H new ATOM 0 HG2 MET A 61 3.505 1.342 -0.527 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.234 2.907 -1.268 1.00 0.00 H new ATOM 0 HE1 MET A 61 1.263 1.042 -3.836 1.00 0.00 H new ATOM 0 HE2 MET A 61 1.373 0.224 -2.260 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.291 2.000 -2.337 1.00 0.00 H new ATOM 960 N ARG A 62 6.755 2.137 -3.819 1.00 0.00 N ATOM 961 CA ARG A 62 7.022 1.762 -5.197 1.00 0.00 C ATOM 962 C ARG A 62 6.036 0.693 -5.649 1.00 0.00 C ATOM 963 O ARG A 62 5.553 -0.101 -4.842 1.00 0.00 O ATOM 964 CB ARG A 62 8.461 1.253 -5.346 1.00 0.00 C ATOM 965 CG ARG A 62 9.473 1.994 -4.476 1.00 0.00 C ATOM 966 CD ARG A 62 9.424 3.499 -4.690 1.00 0.00 C ATOM 967 NE ARG A 62 10.185 4.220 -3.670 1.00 0.00 N ATOM 968 CZ ARG A 62 10.931 5.297 -3.915 1.00 0.00 C ATOM 969 NH1 ARG A 62 11.026 5.774 -5.152 1.00 0.00 N ATOM 970 NH2 ARG A 62 11.580 5.898 -2.921 1.00 0.00 N ATOM 0 H ARG A 62 7.300 1.622 -3.128 1.00 0.00 H new ATOM 0 HA ARG A 62 6.900 2.643 -5.827 1.00 0.00 H new ATOM 0 HB2 ARG A 62 8.489 0.193 -5.095 1.00 0.00 H new ATOM 0 HB3 ARG A 62 8.761 1.341 -6.390 1.00 0.00 H new ATOM 0 HG2 ARG A 62 9.279 1.772 -3.427 1.00 0.00 H new ATOM 0 HG3 ARG A 62 10.476 1.630 -4.699 1.00 0.00 H new ATOM 0 HD2 ARG A 62 9.821 3.739 -5.676 1.00 0.00 H new ATOM 0 HD3 ARG A 62 8.387 3.834 -4.674 1.00 0.00 H new ATOM 0 HE ARG A 62 10.142 3.877 -2.710 1.00 0.00 H new ATOM 0 HH11 ARG A 62 10.528 5.316 -5.915 1.00 0.00 H new ATOM 0 HH12 ARG A 62 11.597 6.598 -5.338 1.00 0.00 H new ATOM 0 HH21 ARG A 62 11.507 5.535 -1.971 1.00 0.00 H new ATOM 0 HH22 ARG A 62 12.151 6.722 -3.109 1.00 0.00 H new ATOM 984 N ARG A 63 5.750 0.671 -6.941 1.00 0.00 N ATOM 985 CA ARG A 63 4.778 -0.258 -7.503 1.00 0.00 C ATOM 986 C ARG A 63 5.166 -1.710 -7.228 1.00 0.00 C ATOM 987 O ARG A 63 4.311 -2.549 -6.940 1.00 0.00 O ATOM 988 CB ARG A 63 4.634 -0.027 -9.008 1.00 0.00 C ATOM 989 CG ARG A 63 3.622 -0.948 -9.658 1.00 0.00 C ATOM 990 CD ARG A 63 3.443 -0.628 -11.127 1.00 0.00 C ATOM 991 NE ARG A 63 2.436 -1.483 -11.750 1.00 0.00 N ATOM 992 CZ ARG A 63 1.638 -1.088 -12.736 1.00 0.00 C ATOM 993 NH1 ARG A 63 1.715 0.153 -13.198 1.00 0.00 N ATOM 994 NH2 ARG A 63 0.755 -1.934 -13.256 1.00 0.00 N ATOM 0 H ARG A 63 6.181 1.291 -7.627 1.00 0.00 H new ATOM 0 HA ARG A 63 3.820 -0.071 -7.018 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.340 1.008 -9.184 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.604 -0.168 -9.485 1.00 0.00 H new ATOM 0 HG2 ARG A 63 3.946 -1.983 -9.547 1.00 0.00 H new ATOM 0 HG3 ARG A 63 2.664 -0.857 -9.146 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.152 0.417 -11.239 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.395 -0.751 -11.644 1.00 0.00 H new ATOM 0 HE ARG A 63 2.340 -2.439 -11.408 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.388 0.806 -12.796 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.101 0.454 -13.955 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.690 -2.887 -12.898 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.142 -1.630 -14.013 1.00 0.00 H new ATOM 1008 N ASN A 64 6.460 -1.999 -7.299 1.00 0.00 N ATOM 1009 CA ASN A 64 6.946 -3.351 -7.049 1.00 0.00 C ATOM 1010 C ASN A 64 6.698 -3.751 -5.596 1.00 0.00 C ATOM 1011 O ASN A 64 6.513 -4.930 -5.293 1.00 0.00 O ATOM 1012 CB ASN A 64 8.435 -3.484 -7.398 1.00 0.00 C ATOM 1013 CG ASN A 64 9.353 -2.755 -6.436 1.00 0.00 C ATOM 1014 OD1 ASN A 64 9.798 -3.323 -5.438 1.00 0.00 O ATOM 1015 ND2 ASN A 64 9.653 -1.503 -6.734 1.00 0.00 N ATOM 0 H ASN A 64 7.187 -1.321 -7.526 1.00 0.00 H new ATOM 0 HA ASN A 64 6.390 -4.029 -7.697 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.703 -4.540 -7.412 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.599 -3.100 -8.405 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.275 -0.969 -6.127 1.00 0.00 H new ATOM 0 HD22 ASN A 64 9.262 -1.070 -7.571 1.00 0.00 H new ATOM 1022 N GLU A 65 6.672 -2.763 -4.705 1.00 0.00 N ATOM 1023 CA GLU A 65 6.369 -3.008 -3.302 1.00 0.00 C ATOM 1024 C GLU A 65 4.891 -3.347 -3.154 1.00 0.00 C ATOM 1025 O GLU A 65 4.520 -4.233 -2.384 1.00 0.00 O ATOM 1026 CB GLU A 65 6.727 -1.787 -2.445 1.00 0.00 C ATOM 1027 CG GLU A 65 8.171 -1.336 -2.621 1.00 0.00 C ATOM 1028 CD GLU A 65 8.566 -0.218 -1.676 1.00 0.00 C ATOM 1029 OE1 GLU A 65 8.113 0.927 -1.872 1.00 0.00 O ATOM 1030 OE2 GLU A 65 9.347 -0.478 -0.740 1.00 0.00 O ATOM 0 H GLU A 65 6.857 -1.786 -4.932 1.00 0.00 H new ATOM 0 HA GLU A 65 6.968 -3.849 -2.953 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.061 -0.963 -2.702 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.552 -2.023 -1.395 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.833 -2.188 -2.463 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.319 -1.004 -3.649 1.00 0.00 H new ATOM 1037 N ALA A 66 4.061 -2.660 -3.934 1.00 0.00 N ATOM 1038 CA ALA A 66 2.619 -2.885 -3.926 1.00 0.00 C ATOM 1039 C ALA A 66 2.266 -4.268 -4.461 1.00 0.00 C ATOM 1040 O ALA A 66 1.242 -4.844 -4.091 1.00 0.00 O ATOM 1041 CB ALA A 66 1.916 -1.818 -4.746 1.00 0.00 C ATOM 0 H ALA A 66 4.366 -1.937 -4.585 1.00 0.00 H new ATOM 0 HA ALA A 66 2.280 -2.827 -2.892 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.841 -1.998 -4.732 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.126 -0.836 -4.322 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.276 -1.853 -5.774 1.00 0.00 H new ATOM 1047 N GLU A 67 3.102 -4.787 -5.350 1.00 0.00 N ATOM 1048 CA GLU A 67 2.933 -6.142 -5.861 1.00 0.00 C ATOM 1049 C GLU A 67 3.095 -7.168 -4.745 1.00 0.00 C ATOM 1050 O GLU A 67 2.374 -8.161 -4.686 1.00 0.00 O ATOM 1051 CB GLU A 67 3.941 -6.417 -6.975 1.00 0.00 C ATOM 1052 CG GLU A 67 3.507 -5.905 -8.338 1.00 0.00 C ATOM 1053 CD GLU A 67 2.354 -6.706 -8.913 1.00 0.00 C ATOM 1054 OE1 GLU A 67 2.444 -7.956 -8.936 1.00 0.00 O ATOM 1055 OE2 GLU A 67 1.351 -6.094 -9.339 1.00 0.00 O ATOM 0 H GLU A 67 3.906 -4.290 -5.733 1.00 0.00 H new ATOM 0 HA GLU A 67 1.924 -6.229 -6.265 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.893 -5.957 -6.711 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.113 -7.491 -7.039 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.213 -4.859 -8.254 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.352 -5.945 -9.025 1.00 0.00 H new ATOM 1062 N GLY A 68 4.064 -6.928 -3.875 1.00 0.00 N ATOM 1063 CA GLY A 68 4.278 -7.799 -2.735 1.00 0.00 C ATOM 1064 C GLY A 68 3.147 -7.743 -1.724 1.00 0.00 C ATOM 1065 O GLY A 68 3.006 -8.631 -0.887 1.00 0.00 O ATOM 0 H GLY A 68 4.710 -6.141 -3.938 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.394 -8.825 -3.085 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.211 -7.522 -2.244 1.00 0.00 H new ATOM 1069 N ILE A 69 2.345 -6.693 -1.786 1.00 0.00 N ATOM 1070 CA ILE A 69 1.290 -6.487 -0.807 1.00 0.00 C ATOM 1071 C ILE A 69 -0.028 -7.087 -1.280 1.00 0.00 C ATOM 1072 O ILE A 69 -0.479 -6.830 -2.396 1.00 0.00 O ATOM 1073 CB ILE A 69 1.092 -4.986 -0.506 1.00 0.00 C ATOM 1074 CG1 ILE A 69 2.409 -4.366 -0.037 1.00 0.00 C ATOM 1075 CG2 ILE A 69 0.008 -4.786 0.545 1.00 0.00 C ATOM 1076 CD1 ILE A 69 2.346 -2.865 0.135 1.00 0.00 C ATOM 0 H ILE A 69 2.404 -5.970 -2.503 1.00 0.00 H new ATOM 0 HA ILE A 69 1.600 -6.993 0.107 1.00 0.00 H new ATOM 0 HB ILE A 69 0.775 -4.488 -1.422 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.697 -4.820 0.911 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.191 -4.608 -0.757 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.115 -3.721 0.742 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.933 -5.199 0.181 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.295 -5.295 1.465 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.316 -2.496 0.469 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.089 -2.400 -0.817 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.587 -2.615 0.877 1.00 0.00 H new ATOM 1088 N THR A 70 -0.629 -7.890 -0.421 1.00 0.00 N ATOM 1089 CA THR A 70 -1.927 -8.476 -0.690 1.00 0.00 C ATOM 1090 C THR A 70 -3.004 -7.690 0.058 1.00 0.00 C ATOM 1091 O THR A 70 -2.871 -7.425 1.258 1.00 0.00 O ATOM 1092 CB THR A 70 -1.958 -9.952 -0.249 1.00 0.00 C ATOM 1093 OG1 THR A 70 -0.831 -10.641 -0.805 1.00 0.00 O ATOM 1094 CG2 THR A 70 -3.244 -10.634 -0.696 1.00 0.00 C ATOM 0 H THR A 70 -0.231 -8.153 0.481 1.00 0.00 H new ATOM 0 HA THR A 70 -2.118 -8.432 -1.762 1.00 0.00 H new ATOM 0 HB THR A 70 -1.915 -9.985 0.840 1.00 0.00 H new ATOM 0 HG1 THR A 70 -0.850 -11.579 -0.523 1.00 0.00 H new ATOM 0 HG21 THR A 70 -3.236 -11.674 -0.370 1.00 0.00 H new ATOM 0 HG22 THR A 70 -4.099 -10.122 -0.255 1.00 0.00 H new ATOM 0 HG23 THR A 70 -3.318 -10.595 -1.783 1.00 0.00 H new ATOM 1102 N VAL A 71 -4.056 -7.295 -0.646 1.00 0.00 N ATOM 1103 CA VAL A 71 -5.110 -6.492 -0.040 1.00 0.00 C ATOM 1104 C VAL A 71 -6.469 -7.164 -0.165 1.00 0.00 C ATOM 1105 O VAL A 71 -6.664 -8.056 -0.993 1.00 0.00 O ATOM 1106 CB VAL A 71 -5.196 -5.086 -0.673 1.00 0.00 C ATOM 1107 CG1 VAL A 71 -3.872 -4.354 -0.531 1.00 0.00 C ATOM 1108 CG2 VAL A 71 -5.622 -5.169 -2.135 1.00 0.00 C ATOM 0 H VAL A 71 -4.202 -7.516 -1.631 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.848 -6.396 1.014 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.957 -4.518 -0.138 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.953 -3.365 -0.983 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.625 -4.251 0.526 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.088 -4.920 -1.034 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.675 -4.165 -2.556 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -4.895 -5.759 -2.693 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.602 -5.642 -2.202 1.00 0.00 H new ATOM 1118 N HIS A 72 -7.394 -6.736 0.679 1.00 0.00 N ATOM 1119 CA HIS A 72 -8.779 -7.161 0.588 1.00 0.00 C ATOM 1120 C HIS A 72 -9.650 -5.959 0.247 1.00 0.00 C ATOM 1121 O HIS A 72 -9.528 -4.902 0.867 1.00 0.00 O ATOM 1122 CB HIS A 72 -9.232 -7.799 1.908 1.00 0.00 C ATOM 1123 CG HIS A 72 -10.640 -8.310 1.884 1.00 0.00 C ATOM 1124 ND1 HIS A 72 -10.933 -9.572 1.435 1.00 0.00 N ATOM 1125 CD2 HIS A 72 -11.787 -7.693 2.253 1.00 0.00 C ATOM 1126 CE1 HIS A 72 -12.244 -9.697 1.539 1.00 0.00 C ATOM 1127 NE2 HIS A 72 -12.807 -8.582 2.029 1.00 0.00 N ATOM 0 H HIS A 72 -7.206 -6.087 1.443 1.00 0.00 H new ATOM 0 HA HIS A 72 -8.877 -7.910 -0.198 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -8.561 -8.623 2.151 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -9.136 -7.064 2.707 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -11.881 -6.692 2.648 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -12.794 -10.585 1.264 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -13.800 -8.426 2.201 1.00 0.00 H new ATOM 1135 N ILE A 73 -10.512 -6.120 -0.744 1.00 0.00 N ATOM 1136 CA ILE A 73 -11.359 -5.032 -1.217 1.00 0.00 C ATOM 1137 C ILE A 73 -12.439 -4.685 -0.196 1.00 0.00 C ATOM 1138 O ILE A 73 -13.200 -5.548 0.240 1.00 0.00 O ATOM 1139 CB ILE A 73 -12.017 -5.396 -2.566 1.00 0.00 C ATOM 1140 CG1 ILE A 73 -10.937 -5.654 -3.619 1.00 0.00 C ATOM 1141 CG2 ILE A 73 -12.957 -4.289 -3.028 1.00 0.00 C ATOM 1142 CD1 ILE A 73 -10.140 -4.420 -3.972 1.00 0.00 C ATOM 0 H ILE A 73 -10.645 -7.001 -1.241 1.00 0.00 H new ATOM 0 HA ILE A 73 -10.720 -4.160 -1.356 1.00 0.00 H new ATOM 0 HB ILE A 73 -12.606 -6.303 -2.431 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -10.258 -6.424 -3.252 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -11.406 -6.046 -4.522 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -13.408 -4.569 -3.980 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -13.740 -4.143 -2.284 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -12.396 -3.363 -3.151 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -9.392 -4.673 -4.723 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -10.809 -3.656 -4.368 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -9.644 -4.040 -3.079 1.00 0.00 H new ATOM 1154 N LEU A 74 -12.512 -3.407 0.165 1.00 0.00 N ATOM 1155 CA LEU A 74 -13.491 -2.936 1.142 1.00 0.00 C ATOM 1156 C LEU A 74 -14.810 -2.595 0.471 1.00 0.00 C ATOM 1157 O LEU A 74 -15.454 -1.592 0.789 1.00 0.00 O ATOM 1158 CB LEU A 74 -12.948 -1.725 1.892 1.00 0.00 C ATOM 1159 CG LEU A 74 -11.748 -2.026 2.781 1.00 0.00 C ATOM 1160 CD1 LEU A 74 -11.415 -0.830 3.659 1.00 0.00 C ATOM 1161 CD2 LEU A 74 -12.027 -3.264 3.619 1.00 0.00 C ATOM 0 H LEU A 74 -11.904 -2.677 -0.205 1.00 0.00 H new ATOM 0 HA LEU A 74 -13.673 -3.740 1.856 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -12.667 -0.960 1.168 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -13.745 -1.305 2.506 1.00 0.00 H new ATOM 0 HG LEU A 74 -10.880 -2.222 2.152 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -10.555 -1.067 4.286 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -11.180 0.029 3.030 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -12.271 -0.593 4.291 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -11.166 -3.476 4.253 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -12.904 -3.091 4.243 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -12.211 -4.114 2.962 1.00 0.00 H new