USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 482 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 44:sc= 0.777 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot -12:sc= -1.61 USER MOD Single : A 11 GLN : amide:sc= 0.38 K(o=0.38,f=-0.36) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 39:sc= -2.38! USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 ASN : amide:sc= -0.0937 K(o=-0.094,f=-0.61) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.02 X(o=-0.02,f=-0.024) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 74:sc= -5.42! USER MOD Single : A 53 MET CE :methyl -150:sc= -3.71 (180deg=-5.35!) USER MOD Single : A 56 SER OG : rot -176:sc= 0.0146 USER MOD Single : A 57 ASN : amide:sc= -0.141 K(o=-0.14,f=-1.6!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 39:sc= 0.273 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc=-0.00778 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.925 -0.478 -8.062 1.00 0.00 N ATOM 2 CA GLY A 1 -24.027 0.721 -7.248 1.00 0.00 C ATOM 3 C GLY A 1 -22.859 0.817 -6.265 1.00 0.00 C ATOM 4 O GLY A 1 -21.792 1.324 -6.609 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.729 -0.520 -8.721 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.036 -0.457 -8.602 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.937 -1.317 -7.447 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.039 1.601 -7.891 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.969 0.714 -6.700 1.00 0.00 H new ATOM 8 N SER A 2 -23.099 0.322 -5.060 1.00 0.00 N ATOM 9 CA SER A 2 -22.081 0.345 -4.024 1.00 0.00 C ATOM 10 C SER A 2 -21.962 -1.035 -3.375 1.00 0.00 C ATOM 11 O SER A 2 -22.840 -1.881 -3.542 1.00 0.00 O ATOM 12 CB SER A 2 -22.396 1.404 -2.965 1.00 0.00 C ATOM 13 OG SER A 2 -21.666 2.608 -3.180 1.00 0.00 O ATOM 0 H SER A 2 -23.985 -0.098 -4.778 1.00 0.00 H new ATOM 0 HA SER A 2 -21.129 0.605 -4.487 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.464 1.621 -2.976 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.161 1.009 -1.977 1.00 0.00 H new ATOM 0 HG SER A 2 -21.896 3.259 -2.484 1.00 0.00 H new ATOM 19 N SER A 3 -20.869 -1.221 -2.649 1.00 0.00 N ATOM 20 CA SER A 3 -20.624 -2.485 -1.975 1.00 0.00 C ATOM 21 C SER A 3 -19.462 -2.336 -0.992 1.00 0.00 C ATOM 22 O SER A 3 -18.524 -1.580 -1.243 1.00 0.00 O ATOM 23 CB SER A 3 -20.329 -3.598 -2.982 1.00 0.00 C ATOM 24 OG SER A 3 -21.503 -4.326 -3.333 1.00 0.00 O ATOM 0 H SER A 3 -20.143 -0.517 -2.513 1.00 0.00 H new ATOM 0 HA SER A 3 -21.524 -2.760 -1.425 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.888 -3.166 -3.881 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.591 -4.281 -2.561 1.00 0.00 H new ATOM 0 HG SER A 3 -22.241 -3.701 -3.489 1.00 0.00 H new ATOM 30 N GLY A 4 -19.561 -3.070 0.107 1.00 0.00 N ATOM 31 CA GLY A 4 -18.529 -3.030 1.129 1.00 0.00 C ATOM 32 C GLY A 4 -17.295 -3.822 0.694 1.00 0.00 C ATOM 33 O GLY A 4 -16.946 -4.826 1.315 1.00 0.00 O ATOM 0 H GLY A 4 -20.340 -3.696 0.312 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.250 -1.995 1.328 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.919 -3.440 2.061 1.00 0.00 H new ATOM 37 N SER A 5 -16.667 -3.342 -0.369 1.00 0.00 N ATOM 38 CA SER A 5 -15.479 -3.994 -0.894 1.00 0.00 C ATOM 39 C SER A 5 -14.594 -4.476 0.257 1.00 0.00 C ATOM 40 O SER A 5 -14.116 -3.671 1.055 1.00 0.00 O ATOM 41 CB SER A 5 -14.694 -3.052 -1.810 1.00 0.00 C ATOM 42 OG SER A 5 -15.494 -2.559 -2.881 1.00 0.00 O ATOM 0 H SER A 5 -16.958 -2.509 -0.881 1.00 0.00 H new ATOM 0 HA SER A 5 -15.793 -4.854 -1.485 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.313 -2.214 -1.227 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.830 -3.578 -2.215 1.00 0.00 H new ATOM 0 HG SER A 5 -14.957 -1.960 -3.441 1.00 0.00 H new ATOM 48 N SER A 6 -14.404 -5.786 0.306 1.00 0.00 N ATOM 49 CA SER A 6 -13.585 -6.384 1.346 1.00 0.00 C ATOM 50 C SER A 6 -12.277 -6.906 0.748 1.00 0.00 C ATOM 51 O SER A 6 -12.095 -8.114 0.604 1.00 0.00 O ATOM 52 CB SER A 6 -14.333 -7.515 2.055 1.00 0.00 C ATOM 53 OG SER A 6 -14.701 -7.161 3.385 1.00 0.00 O ATOM 0 H SER A 6 -14.803 -6.450 -0.358 1.00 0.00 H new ATOM 0 HA SER A 6 -13.358 -5.616 2.085 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.228 -7.770 1.487 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.706 -8.406 2.078 1.00 0.00 H new ATOM 0 HG SER A 6 -15.178 -7.909 3.803 1.00 0.00 H new ATOM 59 N GLY A 7 -11.401 -5.970 0.414 1.00 0.00 N ATOM 60 CA GLY A 7 -10.115 -6.321 -0.166 1.00 0.00 C ATOM 61 C GLY A 7 -9.053 -6.496 0.921 1.00 0.00 C ATOM 62 O GLY A 7 -9.277 -7.198 1.906 1.00 0.00 O ATOM 0 H GLY A 7 -11.556 -4.969 0.534 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.210 -7.244 -0.739 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.802 -5.544 -0.863 1.00 0.00 H new ATOM 66 N ARG A 8 -7.919 -5.846 0.705 1.00 0.00 N ATOM 67 CA ARG A 8 -6.821 -5.921 1.654 1.00 0.00 C ATOM 68 C ARG A 8 -6.302 -4.518 1.978 1.00 0.00 C ATOM 69 O ARG A 8 -6.219 -3.665 1.096 1.00 0.00 O ATOM 70 CB ARG A 8 -5.672 -6.767 1.101 1.00 0.00 C ATOM 71 CG ARG A 8 -5.816 -8.230 1.524 1.00 0.00 C ATOM 72 CD ARG A 8 -4.674 -8.648 2.452 1.00 0.00 C ATOM 73 NE ARG A 8 -5.152 -9.660 3.420 1.00 0.00 N ATOM 74 CZ ARG A 8 -4.346 -10.446 4.146 1.00 0.00 C ATOM 75 NH1 ARG A 8 -3.016 -10.342 4.017 1.00 0.00 N ATOM 76 NH2 ARG A 8 -4.869 -11.336 5.000 1.00 0.00 N ATOM 0 H ARG A 8 -7.737 -5.265 -0.113 1.00 0.00 H new ATOM 0 HA ARG A 8 -7.199 -6.391 2.562 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -5.656 -6.699 0.013 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -4.721 -6.373 1.459 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -6.771 -8.374 2.029 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -5.824 -8.869 0.641 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -3.849 -9.054 1.867 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -4.289 -7.778 2.984 1.00 0.00 H new ATOM 0 HE ARG A 8 -6.159 -9.766 3.542 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -2.618 -9.665 3.366 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -2.402 -10.940 4.570 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -5.881 -11.415 5.098 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -4.255 -11.934 5.553 1.00 0.00 H new ATOM 90 N ARG A 9 -5.968 -4.323 3.245 1.00 0.00 N ATOM 91 CA ARG A 9 -5.460 -3.039 3.696 1.00 0.00 C ATOM 92 C ARG A 9 -4.114 -3.218 4.400 1.00 0.00 C ATOM 93 O ARG A 9 -3.897 -4.214 5.090 1.00 0.00 O ATOM 94 CB ARG A 9 -6.443 -2.364 4.654 1.00 0.00 C ATOM 95 CG ARG A 9 -7.458 -1.512 3.888 1.00 0.00 C ATOM 96 CD ARG A 9 -7.869 -0.284 4.703 1.00 0.00 C ATOM 97 NE ARG A 9 -9.241 -0.462 5.229 1.00 0.00 N ATOM 98 CZ ARG A 9 -9.532 -1.111 6.365 1.00 0.00 C ATOM 99 NH1 ARG A 9 -8.548 -1.648 7.100 1.00 0.00 N ATOM 100 NH2 ARG A 9 -10.806 -1.224 6.765 1.00 0.00 N ATOM 0 H ARG A 9 -6.039 -5.033 3.974 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.333 -2.406 2.818 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -6.966 -3.122 5.238 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -5.897 -1.738 5.360 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.029 -1.195 2.938 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -8.339 -2.110 3.656 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -7.171 -0.134 5.527 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -7.823 0.609 4.079 1.00 0.00 H new ATOM 0 HE ARG A 9 -10.013 -0.066 4.693 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -7.579 -1.563 6.795 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -8.769 -2.142 7.965 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.554 -0.816 6.205 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.027 -1.718 7.630 1.00 0.00 H new ATOM 114 N CYS A 10 -3.243 -2.239 4.203 1.00 0.00 N ATOM 115 CA CYS A 10 -1.924 -2.276 4.810 1.00 0.00 C ATOM 116 C CYS A 10 -1.536 -0.849 5.204 1.00 0.00 C ATOM 117 O CYS A 10 -1.977 0.113 4.578 1.00 0.00 O ATOM 118 CB CYS A 10 -0.890 -2.912 3.879 1.00 0.00 C ATOM 119 SG CYS A 10 -1.485 -4.544 3.304 1.00 0.00 S ATOM 0 H CYS A 10 -3.426 -1.415 3.631 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.949 -2.904 5.701 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.709 -2.260 3.024 1.00 0.00 H new ATOM 0 HB3 CYS A 10 0.060 -3.025 4.401 1.00 0.00 H new ATOM 0 HG CYS A 10 -2.520 -4.900 4.006 1.00 0.00 H new ATOM 125 N GLN A 11 -0.716 -0.758 6.241 1.00 0.00 N ATOM 126 CA GLN A 11 -0.264 0.535 6.726 1.00 0.00 C ATOM 127 C GLN A 11 1.154 0.823 6.228 1.00 0.00 C ATOM 128 O GLN A 11 1.969 -0.090 6.103 1.00 0.00 O ATOM 129 CB GLN A 11 -0.333 0.602 8.253 1.00 0.00 C ATOM 130 CG GLN A 11 -0.584 2.035 8.727 1.00 0.00 C ATOM 131 CD GLN A 11 -1.423 2.049 10.007 1.00 0.00 C ATOM 132 OE1 GLN A 11 -1.399 1.127 10.806 1.00 0.00 O ATOM 133 NE2 GLN A 11 -2.165 3.143 10.156 1.00 0.00 N ATOM 0 H GLN A 11 -0.353 -1.558 6.759 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.930 1.302 6.331 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.129 -0.049 8.614 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.599 0.232 8.680 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.368 2.535 8.906 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.096 2.596 7.946 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.138 3.878 9.449 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.761 3.247 10.977 1.00 0.00 H new ATOM 142 N VAL A 12 1.405 2.095 5.956 1.00 0.00 N ATOM 143 CA VAL A 12 2.710 2.514 5.474 1.00 0.00 C ATOM 144 C VAL A 12 3.662 2.667 6.662 1.00 0.00 C ATOM 145 O VAL A 12 3.412 3.465 7.564 1.00 0.00 O ATOM 146 CB VAL A 12 2.575 3.794 4.647 1.00 0.00 C ATOM 147 CG1 VAL A 12 3.938 4.459 4.440 1.00 0.00 C ATOM 148 CG2 VAL A 12 1.894 3.512 3.306 1.00 0.00 C ATOM 0 H VAL A 12 0.727 2.849 6.060 1.00 0.00 H new ATOM 0 HA VAL A 12 3.134 1.759 4.813 1.00 0.00 H new ATOM 0 HB VAL A 12 1.944 4.487 5.204 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.814 5.367 3.849 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.370 4.712 5.408 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.602 3.772 3.915 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.811 4.439 2.738 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.487 2.792 2.741 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.899 3.104 3.482 1.00 0.00 H new ATOM 158 N ALA A 13 4.734 1.889 6.623 1.00 0.00 N ATOM 159 CA ALA A 13 5.725 1.928 7.685 1.00 0.00 C ATOM 160 C ALA A 13 6.874 2.850 7.271 1.00 0.00 C ATOM 161 O ALA A 13 7.705 3.221 8.098 1.00 0.00 O ATOM 162 CB ALA A 13 6.200 0.506 7.993 1.00 0.00 C ATOM 0 H ALA A 13 4.938 1.228 5.873 1.00 0.00 H new ATOM 0 HA ALA A 13 5.291 2.332 8.600 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.943 0.535 8.790 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.352 -0.100 8.310 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.644 0.069 7.099 1.00 0.00 H new ATOM 168 N PHE A 14 6.883 3.193 5.992 1.00 0.00 N ATOM 169 CA PHE A 14 7.916 4.064 5.458 1.00 0.00 C ATOM 170 C PHE A 14 7.362 4.954 4.344 1.00 0.00 C ATOM 171 O PHE A 14 6.789 4.457 3.375 1.00 0.00 O ATOM 172 CB PHE A 14 9.007 3.161 4.878 1.00 0.00 C ATOM 173 CG PHE A 14 9.395 1.992 5.786 1.00 0.00 C ATOM 174 CD1 PHE A 14 8.596 0.894 5.859 1.00 0.00 C ATOM 175 CD2 PHE A 14 10.538 2.051 6.519 1.00 0.00 C ATOM 176 CE1 PHE A 14 8.956 -0.191 6.701 1.00 0.00 C ATOM 177 CE2 PHE A 14 10.898 0.966 7.362 1.00 0.00 C ATOM 178 CZ PHE A 14 10.099 -0.132 7.435 1.00 0.00 C ATOM 0 H PHE A 14 6.191 2.884 5.309 1.00 0.00 H new ATOM 0 HA PHE A 14 8.300 4.712 6.246 1.00 0.00 H new ATOM 0 HB2 PHE A 14 8.667 2.767 3.920 1.00 0.00 H new ATOM 0 HB3 PHE A 14 9.894 3.762 4.678 1.00 0.00 H new ATOM 0 HD1 PHE A 14 7.688 0.847 5.277 1.00 0.00 H new ATOM 0 HD2 PHE A 14 11.173 2.923 6.460 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.322 -1.063 6.758 1.00 0.00 H new ATOM 0 HE2 PHE A 14 11.806 1.013 7.945 1.00 0.00 H new ATOM 0 HZ PHE A 14 10.372 -0.957 8.076 1.00 0.00 H new ATOM 188 N SER A 15 7.551 6.253 4.518 1.00 0.00 N ATOM 189 CA SER A 15 7.077 7.217 3.539 1.00 0.00 C ATOM 190 C SER A 15 7.829 7.036 2.219 1.00 0.00 C ATOM 191 O SER A 15 9.044 6.839 2.215 1.00 0.00 O ATOM 192 CB SER A 15 7.242 8.649 4.052 1.00 0.00 C ATOM 193 OG SER A 15 8.610 8.985 4.268 1.00 0.00 O ATOM 0 H SER A 15 8.026 6.661 5.323 1.00 0.00 H new ATOM 0 HA SER A 15 6.015 7.040 3.371 1.00 0.00 H new ATOM 0 HB2 SER A 15 6.807 9.344 3.333 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.689 8.766 4.984 1.00 0.00 H new ATOM 0 HG SER A 15 8.673 9.907 4.593 1.00 0.00 H new ATOM 199 N TYR A 16 7.077 7.109 1.131 1.00 0.00 N ATOM 200 CA TYR A 16 7.658 6.955 -0.192 1.00 0.00 C ATOM 201 C TYR A 16 7.094 7.995 -1.162 1.00 0.00 C ATOM 202 O TYR A 16 5.893 8.018 -1.424 1.00 0.00 O ATOM 203 CB TYR A 16 7.254 5.559 -0.670 1.00 0.00 C ATOM 204 CG TYR A 16 7.614 5.273 -2.129 1.00 0.00 C ATOM 205 CD1 TYR A 16 6.814 5.757 -3.144 1.00 0.00 C ATOM 206 CD2 TYR A 16 8.737 4.530 -2.430 1.00 0.00 C ATOM 207 CE1 TYR A 16 7.152 5.488 -4.518 1.00 0.00 C ATOM 208 CE2 TYR A 16 9.075 4.260 -3.804 1.00 0.00 C ATOM 209 CZ TYR A 16 8.266 4.753 -4.780 1.00 0.00 C ATOM 210 OH TYR A 16 8.585 4.499 -6.077 1.00 0.00 O ATOM 0 H TYR A 16 6.070 7.273 1.138 1.00 0.00 H new ATOM 0 HA TYR A 16 8.739 7.088 -0.154 1.00 0.00 H new ATOM 0 HB2 TYR A 16 7.735 4.815 -0.035 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.178 5.439 -0.542 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.934 6.338 -2.908 1.00 0.00 H new ATOM 0 HD2 TYR A 16 9.363 4.151 -1.635 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.535 5.861 -5.322 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.951 3.679 -4.054 1.00 0.00 H new ATOM 0 HH TYR A 16 8.401 5.293 -6.621 1.00 0.00 H new ATOM 220 N LEU A 17 7.989 8.831 -1.668 1.00 0.00 N ATOM 221 CA LEU A 17 7.596 9.871 -2.604 1.00 0.00 C ATOM 222 C LEU A 17 7.630 9.311 -4.027 1.00 0.00 C ATOM 223 O LEU A 17 8.629 8.725 -4.443 1.00 0.00 O ATOM 224 CB LEU A 17 8.462 11.118 -2.413 1.00 0.00 C ATOM 225 CG LEU A 17 8.321 11.832 -1.067 1.00 0.00 C ATOM 226 CD1 LEU A 17 7.058 12.694 -1.033 1.00 0.00 C ATOM 227 CD2 LEU A 17 8.365 10.834 0.091 1.00 0.00 C ATOM 0 H LEU A 17 8.985 8.809 -1.448 1.00 0.00 H new ATOM 0 HA LEU A 17 6.571 10.189 -2.411 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.506 10.835 -2.544 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.223 11.827 -3.205 1.00 0.00 H new ATOM 0 HG LEU A 17 9.172 12.503 -0.946 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.982 13.190 -0.065 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.108 13.444 -1.822 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.183 12.063 -1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.263 11.368 1.036 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.548 10.120 -0.013 1.00 0.00 H new ATOM 0 HD23 LEU A 17 9.316 10.301 0.076 1.00 0.00 H new ATOM 239 N PRO A 18 6.499 9.515 -4.753 1.00 0.00 N ATOM 240 CA PRO A 18 6.390 9.037 -6.120 1.00 0.00 C ATOM 241 C PRO A 18 7.202 9.915 -7.074 1.00 0.00 C ATOM 242 O PRO A 18 6.904 11.097 -7.241 1.00 0.00 O ATOM 243 CB PRO A 18 4.901 9.049 -6.424 1.00 0.00 C ATOM 244 CG PRO A 18 4.271 9.966 -5.389 1.00 0.00 C ATOM 245 CD PRO A 18 5.297 10.204 -4.292 1.00 0.00 C ATOM 0 HA PRO A 18 6.801 8.036 -6.249 1.00 0.00 H new ATOM 0 HB2 PRO A 18 4.712 9.412 -7.434 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.482 8.045 -6.363 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.974 10.910 -5.846 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.369 9.514 -4.977 1.00 0.00 H new ATOM 0 HD2 PRO A 18 5.482 11.268 -4.147 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.955 9.807 -3.337 1.00 0.00 H new ATOM 253 N GLN A 19 8.212 9.304 -7.676 1.00 0.00 N ATOM 254 CA GLN A 19 9.069 10.016 -8.608 1.00 0.00 C ATOM 255 C GLN A 19 8.350 10.216 -9.944 1.00 0.00 C ATOM 256 O GLN A 19 8.912 10.787 -10.877 1.00 0.00 O ATOM 257 CB GLN A 19 10.396 9.280 -8.805 1.00 0.00 C ATOM 258 CG GLN A 19 10.951 8.783 -7.469 1.00 0.00 C ATOM 259 CD GLN A 19 12.321 9.400 -7.181 1.00 0.00 C ATOM 260 OE1 GLN A 19 13.339 8.993 -7.717 1.00 0.00 O ATOM 261 NE2 GLN A 19 12.291 10.402 -6.307 1.00 0.00 N ATOM 0 H GLN A 19 8.456 8.323 -7.536 1.00 0.00 H new ATOM 0 HA GLN A 19 9.294 10.996 -8.188 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.251 8.436 -9.479 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.118 9.945 -9.278 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.258 9.036 -6.667 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.034 7.696 -7.487 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.404 10.693 -5.895 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.155 10.879 -6.049 1.00 0.00 H new ATOM 270 N ASN A 20 7.116 9.734 -9.993 1.00 0.00 N ATOM 271 CA ASN A 20 6.314 9.853 -11.198 1.00 0.00 C ATOM 272 C ASN A 20 4.883 10.236 -10.818 1.00 0.00 C ATOM 273 O ASN A 20 4.573 10.399 -9.639 1.00 0.00 O ATOM 274 CB ASN A 20 6.262 8.526 -11.958 1.00 0.00 C ATOM 275 CG ASN A 20 7.669 8.033 -12.299 1.00 0.00 C ATOM 276 OD1 ASN A 20 8.527 8.781 -12.740 1.00 0.00 O ATOM 277 ND2 ASN A 20 7.859 6.737 -12.072 1.00 0.00 N ATOM 0 H ASN A 20 6.653 9.261 -9.217 1.00 0.00 H new ATOM 0 HA ASN A 20 6.769 10.614 -11.832 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.747 7.778 -11.355 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.684 8.650 -12.874 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.765 6.312 -12.268 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.098 6.167 -11.702 1.00 0.00 H new ATOM 284 N ASP A 21 4.048 10.370 -11.838 1.00 0.00 N ATOM 285 CA ASP A 21 2.657 10.731 -11.625 1.00 0.00 C ATOM 286 C ASP A 21 1.781 9.487 -11.785 1.00 0.00 C ATOM 287 O ASP A 21 0.601 9.592 -12.117 1.00 0.00 O ATOM 288 CB ASP A 21 2.195 11.769 -12.650 1.00 0.00 C ATOM 289 CG ASP A 21 1.238 12.833 -12.106 1.00 0.00 C ATOM 290 OD1 ASP A 21 1.569 13.404 -11.044 1.00 0.00 O ATOM 291 OD2 ASP A 21 0.199 13.051 -12.765 1.00 0.00 O ATOM 0 H ASP A 21 4.308 10.235 -12.815 1.00 0.00 H new ATOM 0 HA ASP A 21 2.567 11.148 -10.622 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.073 12.267 -13.061 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.707 11.251 -13.475 1.00 0.00 H new ATOM 296 N ASP A 22 2.392 8.337 -11.542 1.00 0.00 N ATOM 297 CA ASP A 22 1.683 7.074 -11.655 1.00 0.00 C ATOM 298 C ASP A 22 2.038 6.186 -10.460 1.00 0.00 C ATOM 299 O ASP A 22 1.740 4.992 -10.459 1.00 0.00 O ATOM 300 CB ASP A 22 2.081 6.330 -12.931 1.00 0.00 C ATOM 301 CG ASP A 22 0.919 5.701 -13.702 1.00 0.00 C ATOM 302 OD1 ASP A 22 0.148 6.481 -14.303 1.00 0.00 O ATOM 303 OD2 ASP A 22 0.828 4.455 -13.674 1.00 0.00 O ATOM 0 H ASP A 22 3.371 8.253 -11.267 1.00 0.00 H new ATOM 0 HA ASP A 22 0.615 7.289 -11.682 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.602 7.024 -13.591 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.791 5.545 -12.670 1.00 0.00 H new ATOM 308 N GLU A 23 2.670 6.803 -9.472 1.00 0.00 N ATOM 309 CA GLU A 23 3.069 6.083 -8.275 1.00 0.00 C ATOM 310 C GLU A 23 2.257 6.565 -7.071 1.00 0.00 C ATOM 311 O GLU A 23 1.648 7.633 -7.116 1.00 0.00 O ATOM 312 CB GLU A 23 4.570 6.233 -8.020 1.00 0.00 C ATOM 313 CG GLU A 23 5.356 5.105 -8.691 1.00 0.00 C ATOM 314 CD GLU A 23 6.559 4.693 -7.841 1.00 0.00 C ATOM 315 OE1 GLU A 23 6.320 4.100 -6.767 1.00 0.00 O ATOM 316 OE2 GLU A 23 7.692 4.981 -8.284 1.00 0.00 O ATOM 0 H GLU A 23 2.915 7.793 -9.476 1.00 0.00 H new ATOM 0 HA GLU A 23 2.864 5.023 -8.426 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.913 7.196 -8.400 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.763 6.227 -6.947 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.704 4.245 -8.846 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.695 5.429 -9.675 1.00 0.00 H new ATOM 323 N LEU A 24 2.275 5.755 -6.023 1.00 0.00 N ATOM 324 CA LEU A 24 1.548 6.085 -4.809 1.00 0.00 C ATOM 325 C LEU A 24 2.503 6.747 -3.813 1.00 0.00 C ATOM 326 O LEU A 24 3.684 6.409 -3.761 1.00 0.00 O ATOM 327 CB LEU A 24 0.842 4.847 -4.253 1.00 0.00 C ATOM 328 CG LEU A 24 -0.375 4.359 -5.042 1.00 0.00 C ATOM 329 CD1 LEU A 24 -1.205 3.375 -4.216 1.00 0.00 C ATOM 330 CD2 LEU A 24 -1.214 5.538 -5.541 1.00 0.00 C ATOM 0 H LEU A 24 2.782 4.870 -5.989 1.00 0.00 H new ATOM 0 HA LEU A 24 0.758 6.805 -5.022 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.566 4.034 -4.199 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.526 5.061 -3.232 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.019 3.822 -5.921 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.064 3.044 -4.800 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.592 2.514 -3.952 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.552 3.866 -3.307 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.073 5.163 -6.099 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.561 6.123 -4.690 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.606 6.168 -6.191 1.00 0.00 H new ATOM 342 N GLU A 25 1.954 7.679 -3.047 1.00 0.00 N ATOM 343 CA GLU A 25 2.742 8.391 -2.055 1.00 0.00 C ATOM 344 C GLU A 25 2.514 7.792 -0.666 1.00 0.00 C ATOM 345 O GLU A 25 1.502 8.069 -0.024 1.00 0.00 O ATOM 346 CB GLU A 25 2.416 9.886 -2.067 1.00 0.00 C ATOM 347 CG GLU A 25 3.194 10.626 -0.977 1.00 0.00 C ATOM 348 CD GLU A 25 2.729 12.079 -0.861 1.00 0.00 C ATOM 349 OE1 GLU A 25 2.769 12.773 -1.900 1.00 0.00 O ATOM 350 OE2 GLU A 25 2.342 12.462 0.264 1.00 0.00 O ATOM 0 H GLU A 25 0.974 7.957 -3.093 1.00 0.00 H new ATOM 0 HA GLU A 25 3.796 8.280 -2.309 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.660 10.307 -3.042 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.346 10.030 -1.916 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.058 10.120 -0.021 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.260 10.599 -1.204 1.00 0.00 H new ATOM 357 N LEU A 26 3.473 6.982 -0.242 1.00 0.00 N ATOM 358 CA LEU A 26 3.390 6.341 1.059 1.00 0.00 C ATOM 359 C LEU A 26 3.673 7.374 2.151 1.00 0.00 C ATOM 360 O LEU A 26 4.600 8.174 2.029 1.00 0.00 O ATOM 361 CB LEU A 26 4.310 5.120 1.115 1.00 0.00 C ATOM 362 CG LEU A 26 4.216 4.154 -0.068 1.00 0.00 C ATOM 363 CD1 LEU A 26 5.274 3.054 0.036 1.00 0.00 C ATOM 364 CD2 LEU A 26 2.803 3.580 -0.196 1.00 0.00 C ATOM 0 H LEU A 26 4.311 6.755 -0.777 1.00 0.00 H new ATOM 0 HA LEU A 26 2.383 5.961 1.232 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.340 5.469 1.192 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.091 4.567 2.028 1.00 0.00 H new ATOM 0 HG LEU A 26 4.421 4.712 -0.981 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.185 2.382 -0.817 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.267 3.504 0.041 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.125 2.492 0.958 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.763 2.897 -1.044 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.545 3.042 0.716 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.093 4.392 -0.351 1.00 0.00 H new ATOM 376 N LYS A 27 2.857 7.325 3.194 1.00 0.00 N ATOM 377 CA LYS A 27 3.008 8.247 4.307 1.00 0.00 C ATOM 378 C LYS A 27 2.740 7.506 5.618 1.00 0.00 C ATOM 379 O LYS A 27 1.617 7.074 5.872 1.00 0.00 O ATOM 380 CB LYS A 27 2.124 9.480 4.105 1.00 0.00 C ATOM 381 CG LYS A 27 2.938 10.655 3.561 1.00 0.00 C ATOM 382 CD LYS A 27 3.036 11.779 4.594 1.00 0.00 C ATOM 383 CE LYS A 27 3.370 13.113 3.923 1.00 0.00 C ATOM 384 NZ LYS A 27 4.381 13.851 4.712 1.00 0.00 N ATOM 0 H LYS A 27 2.089 6.661 3.292 1.00 0.00 H new ATOM 0 HA LYS A 27 4.031 8.621 4.356 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.315 9.243 3.414 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.663 9.760 5.052 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.938 10.315 3.292 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.474 11.033 2.650 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.093 11.865 5.133 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.803 11.536 5.330 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.745 12.936 2.915 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.466 13.714 3.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.596 14.754 4.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.010 14.036 5.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.249 13.282 4.783 1.00 0.00 H new ATOM 398 N VAL A 28 3.790 7.382 6.416 1.00 0.00 N ATOM 399 CA VAL A 28 3.682 6.701 7.695 1.00 0.00 C ATOM 400 C VAL A 28 2.308 6.984 8.305 1.00 0.00 C ATOM 401 O VAL A 28 2.052 8.089 8.782 1.00 0.00 O ATOM 402 CB VAL A 28 4.838 7.115 8.608 1.00 0.00 C ATOM 403 CG1 VAL A 28 4.759 6.393 9.955 1.00 0.00 C ATOM 404 CG2 VAL A 28 6.187 6.867 7.931 1.00 0.00 C ATOM 0 H VAL A 28 4.720 7.742 6.202 1.00 0.00 H new ATOM 0 HA VAL A 28 3.762 5.622 7.561 1.00 0.00 H new ATOM 0 HB VAL A 28 4.749 8.185 8.796 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.592 6.705 10.585 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.819 6.643 10.447 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.810 5.316 9.794 1.00 0.00 H new ATOM 0 HG21 VAL A 28 6.992 7.170 8.601 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.288 5.807 7.698 1.00 0.00 H new ATOM 0 HG23 VAL A 28 6.244 7.447 7.010 1.00 0.00 H new ATOM 414 N GLY A 29 1.459 5.968 8.269 1.00 0.00 N ATOM 415 CA GLY A 29 0.117 6.094 8.812 1.00 0.00 C ATOM 416 C GLY A 29 -0.937 5.852 7.729 1.00 0.00 C ATOM 417 O GLY A 29 -2.026 5.357 8.018 1.00 0.00 O ATOM 0 H GLY A 29 1.674 5.053 7.872 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.019 5.379 9.624 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.015 7.089 9.238 1.00 0.00 H new ATOM 421 N ASP A 30 -0.577 6.214 6.507 1.00 0.00 N ATOM 422 CA ASP A 30 -1.479 6.043 5.380 1.00 0.00 C ATOM 423 C ASP A 30 -1.765 4.553 5.183 1.00 0.00 C ATOM 424 O ASP A 30 -1.030 3.704 5.685 1.00 0.00 O ATOM 425 CB ASP A 30 -0.856 6.580 4.090 1.00 0.00 C ATOM 426 CG ASP A 30 -0.952 8.096 3.908 1.00 0.00 C ATOM 427 OD1 ASP A 30 -1.309 8.765 4.901 1.00 0.00 O ATOM 428 OD2 ASP A 30 -0.665 8.551 2.779 1.00 0.00 O ATOM 0 H ASP A 30 0.326 6.625 6.272 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.395 6.593 5.594 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.195 6.292 4.065 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.340 6.096 3.242 1.00 0.00 H new ATOM 433 N ILE A 31 -2.834 4.280 4.449 1.00 0.00 N ATOM 434 CA ILE A 31 -3.226 2.907 4.180 1.00 0.00 C ATOM 435 C ILE A 31 -3.622 2.775 2.708 1.00 0.00 C ATOM 436 O ILE A 31 -4.468 3.523 2.219 1.00 0.00 O ATOM 437 CB ILE A 31 -4.318 2.461 5.153 1.00 0.00 C ATOM 438 CG1 ILE A 31 -3.901 2.722 6.602 1.00 0.00 C ATOM 439 CG2 ILE A 31 -4.695 0.996 4.920 1.00 0.00 C ATOM 440 CD1 ILE A 31 -4.916 2.126 7.580 1.00 0.00 C ATOM 0 H ILE A 31 -3.441 4.986 4.032 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.388 2.231 4.348 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.210 3.057 4.962 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.917 2.290 6.785 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.814 3.795 6.772 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.473 0.704 5.625 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.063 0.873 3.901 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.817 0.367 5.067 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.596 2.325 8.603 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.893 2.578 7.411 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.983 1.049 7.424 1.00 0.00 H new ATOM 452 N ILE A 32 -2.993 1.817 2.042 1.00 0.00 N ATOM 453 CA ILE A 32 -3.269 1.577 0.636 1.00 0.00 C ATOM 454 C ILE A 32 -4.187 0.360 0.502 1.00 0.00 C ATOM 455 O ILE A 32 -3.799 -0.755 0.847 1.00 0.00 O ATOM 456 CB ILE A 32 -1.964 1.454 -0.153 1.00 0.00 C ATOM 457 CG1 ILE A 32 -1.393 2.833 -0.487 1.00 0.00 C ATOM 458 CG2 ILE A 32 -2.160 0.596 -1.405 1.00 0.00 C ATOM 459 CD1 ILE A 32 0.136 2.821 -0.435 1.00 0.00 C ATOM 0 H ILE A 32 -2.293 1.198 2.451 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.798 2.425 0.201 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.232 0.946 0.475 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.724 3.137 -1.480 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.779 3.570 0.217 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.218 0.524 -1.948 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.488 -0.402 -1.114 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.914 1.054 -2.045 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.516 3.814 -0.676 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.464 2.540 0.566 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.519 2.100 -1.157 1.00 0.00 H new ATOM 471 N GLU A 33 -5.386 0.615 -0.001 1.00 0.00 N ATOM 472 CA GLU A 33 -6.361 -0.445 -0.185 1.00 0.00 C ATOM 473 C GLU A 33 -5.854 -1.461 -1.211 1.00 0.00 C ATOM 474 O GLU A 33 -6.176 -1.366 -2.394 1.00 0.00 O ATOM 475 CB GLU A 33 -7.719 0.124 -0.602 1.00 0.00 C ATOM 476 CG GLU A 33 -8.785 -0.172 0.455 1.00 0.00 C ATOM 477 CD GLU A 33 -10.192 0.010 -0.120 1.00 0.00 C ATOM 478 OE1 GLU A 33 -10.469 1.131 -0.598 1.00 0.00 O ATOM 479 OE2 GLU A 33 -10.958 -0.977 -0.069 1.00 0.00 O ATOM 0 H GLU A 33 -5.704 1.541 -0.287 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.496 -0.956 0.768 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.637 1.201 -0.749 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.020 -0.306 -1.557 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.667 -1.192 0.820 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.649 0.491 1.310 1.00 0.00 H new ATOM 486 N VAL A 34 -5.070 -2.409 -0.720 1.00 0.00 N ATOM 487 CA VAL A 34 -4.515 -3.440 -1.580 1.00 0.00 C ATOM 488 C VAL A 34 -5.641 -4.078 -2.396 1.00 0.00 C ATOM 489 O VAL A 34 -6.508 -4.754 -1.843 1.00 0.00 O ATOM 490 CB VAL A 34 -3.735 -4.456 -0.742 1.00 0.00 C ATOM 491 CG1 VAL A 34 -3.140 -5.554 -1.626 1.00 0.00 C ATOM 492 CG2 VAL A 34 -2.647 -3.766 0.083 1.00 0.00 C ATOM 0 H VAL A 34 -4.806 -2.485 0.262 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.806 -3.008 -2.286 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.433 -4.926 -0.049 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.591 -6.263 -1.006 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.942 -6.075 -2.149 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.462 -5.108 -2.354 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.108 -4.510 0.669 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.952 -3.257 -0.585 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.105 -3.039 0.753 1.00 0.00 H new ATOM 502 N VAL A 35 -5.592 -3.840 -3.699 1.00 0.00 N ATOM 503 CA VAL A 35 -6.597 -4.383 -4.597 1.00 0.00 C ATOM 504 C VAL A 35 -6.025 -5.605 -5.318 1.00 0.00 C ATOM 505 O VAL A 35 -6.746 -6.563 -5.590 1.00 0.00 O ATOM 506 CB VAL A 35 -7.082 -3.295 -5.558 1.00 0.00 C ATOM 507 CG1 VAL A 35 -7.928 -2.252 -4.823 1.00 0.00 C ATOM 508 CG2 VAL A 35 -5.905 -2.636 -6.280 1.00 0.00 C ATOM 0 H VAL A 35 -4.872 -3.279 -4.154 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.470 -4.716 -4.036 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.713 -3.769 -6.310 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.260 -1.490 -5.528 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.796 -2.737 -4.377 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.331 -1.785 -4.040 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.278 -1.867 -6.957 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.237 -2.183 -5.548 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.361 -3.388 -6.851 1.00 0.00 H new ATOM 518 N GLY A 36 -4.733 -5.531 -5.606 1.00 0.00 N ATOM 519 CA GLY A 36 -4.056 -6.620 -6.289 1.00 0.00 C ATOM 520 C GLY A 36 -2.550 -6.583 -6.021 1.00 0.00 C ATOM 521 O GLY A 36 -2.120 -6.227 -4.925 1.00 0.00 O ATOM 0 H GLY A 36 -4.138 -4.734 -5.379 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.465 -7.574 -5.955 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.240 -6.552 -7.361 1.00 0.00 H new ATOM 525 N GLU A 37 -1.790 -6.956 -7.040 1.00 0.00 N ATOM 526 CA GLU A 37 -0.342 -6.971 -6.928 1.00 0.00 C ATOM 527 C GLU A 37 0.299 -6.686 -8.287 1.00 0.00 C ATOM 528 O GLU A 37 -0.100 -7.262 -9.299 1.00 0.00 O ATOM 529 CB GLU A 37 0.151 -8.302 -6.357 1.00 0.00 C ATOM 530 CG GLU A 37 1.654 -8.473 -6.584 1.00 0.00 C ATOM 531 CD GLU A 37 1.931 -9.558 -7.627 1.00 0.00 C ATOM 532 OE1 GLU A 37 1.197 -9.574 -8.638 1.00 0.00 O ATOM 533 OE2 GLU A 37 2.872 -10.346 -7.390 1.00 0.00 O ATOM 0 H GLU A 37 -2.150 -7.250 -7.948 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.043 -6.184 -6.236 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.067 -8.347 -5.290 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.387 -9.125 -6.827 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.085 -7.528 -6.914 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.140 -8.735 -5.644 1.00 0.00 H new ATOM 540 N VAL A 38 1.282 -5.798 -8.268 1.00 0.00 N ATOM 541 CA VAL A 38 1.982 -5.430 -9.487 1.00 0.00 C ATOM 542 C VAL A 38 3.065 -6.470 -9.783 1.00 0.00 C ATOM 543 O VAL A 38 2.918 -7.283 -10.695 1.00 0.00 O ATOM 544 CB VAL A 38 2.536 -4.009 -9.364 1.00 0.00 C ATOM 545 CG1 VAL A 38 3.034 -3.496 -10.717 1.00 0.00 C ATOM 546 CG2 VAL A 38 1.491 -3.063 -8.769 1.00 0.00 C ATOM 0 H VAL A 38 1.610 -5.322 -7.428 1.00 0.00 H new ATOM 0 HA VAL A 38 1.296 -5.425 -10.334 1.00 0.00 H new ATOM 0 HB VAL A 38 3.387 -4.038 -8.683 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.423 -2.484 -10.602 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.825 -4.149 -11.085 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.209 -3.489 -11.429 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.910 -2.060 -8.692 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.612 -3.041 -9.413 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.205 -3.414 -7.777 1.00 0.00 H new ATOM 556 N GLU A 39 4.127 -6.412 -8.994 1.00 0.00 N ATOM 557 CA GLU A 39 5.234 -7.338 -9.159 1.00 0.00 C ATOM 558 C GLU A 39 5.821 -7.713 -7.797 1.00 0.00 C ATOM 559 O GLU A 39 5.463 -7.123 -6.779 1.00 0.00 O ATOM 560 CB GLU A 39 6.309 -6.751 -10.076 1.00 0.00 C ATOM 561 CG GLU A 39 7.028 -5.582 -9.399 1.00 0.00 C ATOM 562 CD GLU A 39 8.410 -5.357 -10.017 1.00 0.00 C ATOM 563 OE1 GLU A 39 8.489 -5.401 -11.263 1.00 0.00 O ATOM 564 OE2 GLU A 39 9.357 -5.147 -9.228 1.00 0.00 O ATOM 0 H GLU A 39 4.245 -5.738 -8.238 1.00 0.00 H new ATOM 0 HA GLU A 39 4.855 -8.244 -9.632 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.031 -7.525 -10.337 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.853 -6.413 -11.007 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.430 -4.676 -9.497 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.131 -5.782 -8.332 1.00 0.00 H new ATOM 571 N GLU A 40 6.713 -8.693 -7.821 1.00 0.00 N ATOM 572 CA GLU A 40 7.353 -9.153 -6.601 1.00 0.00 C ATOM 573 C GLU A 40 7.942 -7.970 -5.831 1.00 0.00 C ATOM 574 O GLU A 40 8.905 -7.350 -6.281 1.00 0.00 O ATOM 575 CB GLU A 40 8.427 -10.199 -6.906 1.00 0.00 C ATOM 576 CG GLU A 40 8.816 -10.970 -5.643 1.00 0.00 C ATOM 577 CD GLU A 40 10.317 -10.853 -5.370 1.00 0.00 C ATOM 578 OE1 GLU A 40 11.057 -11.718 -5.886 1.00 0.00 O ATOM 579 OE2 GLU A 40 10.691 -9.901 -4.651 1.00 0.00 O ATOM 0 H GLU A 40 7.007 -9.181 -8.667 1.00 0.00 H new ATOM 0 HA GLU A 40 6.598 -9.628 -5.975 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.059 -10.893 -7.661 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.307 -9.710 -7.324 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.257 -10.585 -4.791 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.544 -12.020 -5.755 1.00 0.00 H new ATOM 586 N GLY A 41 7.340 -7.691 -4.685 1.00 0.00 N ATOM 587 CA GLY A 41 7.794 -6.593 -3.848 1.00 0.00 C ATOM 588 C GLY A 41 6.955 -5.336 -4.091 1.00 0.00 C ATOM 589 O GLY A 41 7.011 -4.388 -3.310 1.00 0.00 O ATOM 0 H GLY A 41 6.541 -8.206 -4.316 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.730 -6.880 -2.798 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.843 -6.381 -4.057 1.00 0.00 H new ATOM 593 N TRP A 42 6.197 -5.370 -5.178 1.00 0.00 N ATOM 594 CA TRP A 42 5.348 -4.246 -5.533 1.00 0.00 C ATOM 595 C TRP A 42 3.901 -4.741 -5.576 1.00 0.00 C ATOM 596 O TRP A 42 3.603 -5.743 -6.226 1.00 0.00 O ATOM 597 CB TRP A 42 5.802 -3.611 -6.849 1.00 0.00 C ATOM 598 CG TRP A 42 7.121 -2.842 -6.747 1.00 0.00 C ATOM 599 CD1 TRP A 42 8.364 -3.340 -6.694 1.00 0.00 C ATOM 600 CD2 TRP A 42 7.278 -1.409 -6.687 1.00 0.00 C ATOM 601 NE1 TRP A 42 9.307 -2.336 -6.605 1.00 0.00 N ATOM 602 CE2 TRP A 42 8.626 -1.125 -6.600 1.00 0.00 C ATOM 603 CE3 TRP A 42 6.313 -0.386 -6.705 1.00 0.00 C ATOM 604 CZ2 TRP A 42 9.131 0.179 -6.525 1.00 0.00 C ATOM 605 CZ3 TRP A 42 6.835 0.911 -6.630 1.00 0.00 C ATOM 606 CH2 TRP A 42 8.189 1.214 -6.542 1.00 0.00 C ATOM 0 H TRP A 42 6.154 -6.158 -5.824 1.00 0.00 H new ATOM 0 HA TRP A 42 5.423 -3.455 -4.787 1.00 0.00 H new ATOM 0 HB2 TRP A 42 5.907 -4.393 -7.601 1.00 0.00 H new ATOM 0 HB3 TRP A 42 5.024 -2.933 -7.201 1.00 0.00 H new ATOM 0 HD1 TRP A 42 8.598 -4.394 -6.718 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.318 -2.460 -6.553 1.00 0.00 H new ATOM 0 HE3 TRP A 42 5.254 -0.585 -6.771 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 10.191 0.376 -6.458 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 6.136 1.734 -6.641 1.00 0.00 H new ATOM 0 HH2 TRP A 42 8.512 2.243 -6.487 1.00 0.00 H new ATOM 617 N TRP A 43 3.040 -4.017 -4.876 1.00 0.00 N ATOM 618 CA TRP A 43 1.632 -4.371 -4.826 1.00 0.00 C ATOM 619 C TRP A 43 0.829 -3.193 -5.383 1.00 0.00 C ATOM 620 O TRP A 43 1.386 -2.130 -5.653 1.00 0.00 O ATOM 621 CB TRP A 43 1.214 -4.761 -3.407 1.00 0.00 C ATOM 622 CG TRP A 43 1.748 -6.121 -2.953 1.00 0.00 C ATOM 623 CD1 TRP A 43 2.342 -7.064 -3.697 1.00 0.00 C ATOM 624 CD2 TRP A 43 1.712 -6.655 -1.613 1.00 0.00 C ATOM 625 NE1 TRP A 43 2.690 -8.163 -2.937 1.00 0.00 N ATOM 626 CE2 TRP A 43 2.294 -7.906 -1.629 1.00 0.00 C ATOM 627 CE3 TRP A 43 1.203 -6.100 -0.425 1.00 0.00 C ATOM 628 CZ2 TRP A 43 2.424 -8.707 -0.488 1.00 0.00 C ATOM 629 CZ3 TRP A 43 1.340 -6.912 0.706 1.00 0.00 C ATOM 630 CH2 TRP A 43 1.924 -8.174 0.706 1.00 0.00 C ATOM 0 H TRP A 43 3.291 -3.187 -4.339 1.00 0.00 H new ATOM 0 HA TRP A 43 1.433 -5.250 -5.439 1.00 0.00 H new ATOM 0 HB2 TRP A 43 1.562 -3.996 -2.713 1.00 0.00 H new ATOM 0 HB3 TRP A 43 0.126 -4.772 -3.350 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.525 -6.976 -4.758 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.152 -9.008 -3.273 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.743 -5.124 -0.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.885 -9.683 -0.527 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 0.966 -6.532 1.645 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.992 -8.740 1.623 1.00 0.00 H new ATOM 641 N GLU A 44 -0.467 -3.423 -5.539 1.00 0.00 N ATOM 642 CA GLU A 44 -1.351 -2.394 -6.059 1.00 0.00 C ATOM 643 C GLU A 44 -2.563 -2.222 -5.140 1.00 0.00 C ATOM 644 O GLU A 44 -3.254 -3.191 -4.830 1.00 0.00 O ATOM 645 CB GLU A 44 -1.790 -2.719 -7.488 1.00 0.00 C ATOM 646 CG GLU A 44 -2.089 -1.441 -8.274 1.00 0.00 C ATOM 647 CD GLU A 44 -1.291 -1.400 -9.579 1.00 0.00 C ATOM 648 OE1 GLU A 44 -1.275 -2.443 -10.267 1.00 0.00 O ATOM 649 OE2 GLU A 44 -0.715 -0.326 -9.858 1.00 0.00 O ATOM 0 H GLU A 44 -0.925 -4.306 -5.315 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.803 -1.452 -6.087 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.007 -3.286 -7.993 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.677 -3.352 -7.465 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.155 -1.386 -8.494 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.844 -0.570 -7.666 1.00 0.00 H new ATOM 656 N GLY A 45 -2.782 -0.981 -4.729 1.00 0.00 N ATOM 657 CA GLY A 45 -3.898 -0.670 -3.852 1.00 0.00 C ATOM 658 C GLY A 45 -4.375 0.769 -4.063 1.00 0.00 C ATOM 659 O GLY A 45 -4.097 1.374 -5.097 1.00 0.00 O ATOM 0 H GLY A 45 -2.206 -0.180 -4.987 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.719 -1.361 -4.043 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.599 -0.809 -2.813 1.00 0.00 H new ATOM 663 N VAL A 46 -5.086 1.274 -3.065 1.00 0.00 N ATOM 664 CA VAL A 46 -5.605 2.630 -3.128 1.00 0.00 C ATOM 665 C VAL A 46 -5.206 3.383 -1.857 1.00 0.00 C ATOM 666 O VAL A 46 -5.635 3.028 -0.760 1.00 0.00 O ATOM 667 CB VAL A 46 -7.117 2.601 -3.356 1.00 0.00 C ATOM 668 CG1 VAL A 46 -7.757 3.935 -2.963 1.00 0.00 C ATOM 669 CG2 VAL A 46 -7.446 2.242 -4.806 1.00 0.00 C ATOM 0 H VAL A 46 -5.315 0.769 -2.209 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.173 3.166 -3.973 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.537 1.826 -2.715 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.832 3.887 -3.135 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.567 4.133 -1.908 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -7.328 4.736 -3.566 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.528 2.228 -4.941 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.006 2.983 -5.473 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.039 1.258 -5.039 1.00 0.00 H new ATOM 679 N LEU A 47 -4.390 4.409 -2.047 1.00 0.00 N ATOM 680 CA LEU A 47 -3.929 5.216 -0.930 1.00 0.00 C ATOM 681 C LEU A 47 -5.133 5.853 -0.235 1.00 0.00 C ATOM 682 O LEU A 47 -5.599 5.354 0.788 1.00 0.00 O ATOM 683 CB LEU A 47 -2.881 6.229 -1.397 1.00 0.00 C ATOM 684 CG LEU A 47 -2.349 7.185 -0.327 1.00 0.00 C ATOM 685 CD1 LEU A 47 -2.267 6.492 1.035 1.00 0.00 C ATOM 686 CD2 LEU A 47 -1.005 7.784 -0.747 1.00 0.00 C ATOM 0 H LEU A 47 -4.036 4.700 -2.958 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.428 4.592 -0.191 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.038 5.682 -1.819 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.312 6.822 -2.204 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.053 8.011 -0.226 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.886 7.193 1.778 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.260 6.153 1.331 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.597 5.635 0.967 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.649 8.460 0.031 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.279 6.984 -0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.128 8.336 -1.679 1.00 0.00 H new ATOM 698 N ASN A 48 -5.603 6.946 -0.818 1.00 0.00 N ATOM 699 CA ASN A 48 -6.745 7.656 -0.268 1.00 0.00 C ATOM 700 C ASN A 48 -7.615 8.179 -1.412 1.00 0.00 C ATOM 701 O ASN A 48 -7.809 9.386 -1.548 1.00 0.00 O ATOM 702 CB ASN A 48 -6.295 8.855 0.570 1.00 0.00 C ATOM 703 CG ASN A 48 -6.124 8.464 2.039 1.00 0.00 C ATOM 704 OD1 ASN A 48 -7.067 8.113 2.729 1.00 0.00 O ATOM 705 ND2 ASN A 48 -4.871 8.544 2.477 1.00 0.00 N ATOM 0 H ASN A 48 -5.213 7.357 -1.666 1.00 0.00 H new ATOM 0 HA ASN A 48 -7.302 6.963 0.363 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.353 9.242 0.181 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -7.028 9.657 0.486 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.652 8.304 3.444 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.128 8.845 1.846 1.00 0.00 H new ATOM 712 N GLY A 49 -8.117 7.244 -2.206 1.00 0.00 N ATOM 713 CA GLY A 49 -8.962 7.595 -3.334 1.00 0.00 C ATOM 714 C GLY A 49 -8.188 7.500 -4.650 1.00 0.00 C ATOM 715 O GLY A 49 -8.779 7.546 -5.728 1.00 0.00 O ATOM 0 H GLY A 49 -7.954 6.244 -2.090 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.825 6.930 -3.367 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.344 8.608 -3.205 1.00 0.00 H new ATOM 719 N LYS A 50 -6.876 7.368 -4.520 1.00 0.00 N ATOM 720 CA LYS A 50 -6.014 7.265 -5.685 1.00 0.00 C ATOM 721 C LYS A 50 -5.658 5.796 -5.923 1.00 0.00 C ATOM 722 O LYS A 50 -6.291 4.902 -5.364 1.00 0.00 O ATOM 723 CB LYS A 50 -4.794 8.176 -5.532 1.00 0.00 C ATOM 724 CG LYS A 50 -4.281 8.639 -6.897 1.00 0.00 C ATOM 725 CD LYS A 50 -4.208 10.166 -6.966 1.00 0.00 C ATOM 726 CE LYS A 50 -3.131 10.619 -7.955 1.00 0.00 C ATOM 727 NZ LYS A 50 -2.845 12.061 -7.785 1.00 0.00 N ATOM 0 H LYS A 50 -6.389 7.330 -3.625 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.535 7.616 -6.576 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.057 9.043 -4.925 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.003 7.644 -5.003 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.294 8.215 -7.081 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.939 8.267 -7.682 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.176 10.567 -7.268 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.991 10.568 -5.977 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.220 10.041 -7.800 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.461 10.426 -8.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.112 12.352 -8.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.712 12.609 -7.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.509 12.236 -6.816 1.00 0.00 H new ATOM 741 N THR A 51 -4.646 5.593 -6.754 1.00 0.00 N ATOM 742 CA THR A 51 -4.199 4.248 -7.073 1.00 0.00 C ATOM 743 C THR A 51 -2.830 4.289 -7.755 1.00 0.00 C ATOM 744 O THR A 51 -2.522 5.233 -8.481 1.00 0.00 O ATOM 745 CB THR A 51 -5.281 3.578 -7.922 1.00 0.00 C ATOM 746 OG1 THR A 51 -6.157 2.988 -6.966 1.00 0.00 O ATOM 747 CG2 THR A 51 -4.745 2.389 -8.722 1.00 0.00 C ATOM 0 H THR A 51 -4.123 6.337 -7.216 1.00 0.00 H new ATOM 0 HA THR A 51 -4.060 3.653 -6.170 1.00 0.00 H new ATOM 0 HB THR A 51 -5.711 4.310 -8.605 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.692 3.688 -6.537 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.553 1.950 -9.307 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.955 2.728 -9.392 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.345 1.641 -8.038 1.00 0.00 H new ATOM 755 N GLY A 52 -2.045 3.253 -7.497 1.00 0.00 N ATOM 756 CA GLY A 52 -0.716 3.159 -8.077 1.00 0.00 C ATOM 757 C GLY A 52 0.026 1.928 -7.553 1.00 0.00 C ATOM 758 O GLY A 52 -0.538 1.133 -6.802 1.00 0.00 O ATOM 0 H GLY A 52 -2.304 2.472 -6.894 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.792 3.107 -9.163 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.148 4.059 -7.840 1.00 0.00 H new ATOM 762 N MET A 53 1.278 1.808 -7.969 1.00 0.00 N ATOM 763 CA MET A 53 2.102 0.687 -7.550 1.00 0.00 C ATOM 764 C MET A 53 3.110 1.117 -6.482 1.00 0.00 C ATOM 765 O MET A 53 3.883 2.050 -6.692 1.00 0.00 O ATOM 766 CB MET A 53 2.849 0.123 -8.760 1.00 0.00 C ATOM 767 CG MET A 53 3.470 1.246 -9.594 1.00 0.00 C ATOM 768 SD MET A 53 4.637 0.567 -10.761 1.00 0.00 S ATOM 769 CE MET A 53 6.093 0.486 -9.731 1.00 0.00 C ATOM 0 H MET A 53 1.742 2.469 -8.592 1.00 0.00 H new ATOM 0 HA MET A 53 1.453 -0.078 -7.123 1.00 0.00 H new ATOM 0 HB2 MET A 53 3.630 -0.560 -8.424 1.00 0.00 H new ATOM 0 HB3 MET A 53 2.163 -0.457 -9.378 1.00 0.00 H new ATOM 0 HG2 MET A 53 2.689 1.791 -10.124 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.971 1.961 -8.941 1.00 0.00 H new ATOM 0 HE1 MET A 53 6.983 0.608 -10.349 1.00 0.00 H new ATOM 0 HE2 MET A 53 6.056 1.281 -8.986 1.00 0.00 H new ATOM 0 HE3 MET A 53 6.130 -0.481 -9.228 1.00 0.00 H new ATOM 779 N PHE A 54 3.068 0.415 -5.359 1.00 0.00 N ATOM 780 CA PHE A 54 3.968 0.712 -4.257 1.00 0.00 C ATOM 781 C PHE A 54 4.657 -0.559 -3.755 1.00 0.00 C ATOM 782 O PHE A 54 4.140 -1.661 -3.931 1.00 0.00 O ATOM 783 CB PHE A 54 3.116 1.295 -3.128 1.00 0.00 C ATOM 784 CG PHE A 54 2.161 0.288 -2.485 1.00 0.00 C ATOM 785 CD1 PHE A 54 1.033 -0.095 -3.142 1.00 0.00 C ATOM 786 CD2 PHE A 54 2.440 -0.225 -1.257 1.00 0.00 C ATOM 787 CE1 PHE A 54 0.147 -1.030 -2.545 1.00 0.00 C ATOM 788 CE2 PHE A 54 1.553 -1.160 -0.659 1.00 0.00 C ATOM 789 CZ PHE A 54 0.426 -1.543 -1.316 1.00 0.00 C ATOM 0 H PHE A 54 2.425 -0.358 -5.188 1.00 0.00 H new ATOM 0 HA PHE A 54 4.741 1.408 -4.585 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.776 1.696 -2.359 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.536 2.131 -3.519 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.812 0.312 -4.118 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.336 0.078 -0.736 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.749 -1.334 -3.066 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.774 -1.566 0.317 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.248 -2.255 -0.862 1.00 0.00 H new ATOM 799 N PRO A 55 5.845 -0.357 -3.124 1.00 0.00 N ATOM 800 CA PRO A 55 6.611 -1.472 -2.596 1.00 0.00 C ATOM 801 C PRO A 55 5.980 -2.010 -1.310 1.00 0.00 C ATOM 802 O PRO A 55 5.771 -1.262 -0.356 1.00 0.00 O ATOM 803 CB PRO A 55 8.012 -0.923 -2.385 1.00 0.00 C ATOM 804 CG PRO A 55 7.868 0.590 -2.362 1.00 0.00 C ATOM 805 CD PRO A 55 6.488 0.935 -2.899 1.00 0.00 C ATOM 0 HA PRO A 55 6.631 -2.326 -3.273 1.00 0.00 H new ATOM 0 HB2 PRO A 55 8.438 -1.289 -1.451 1.00 0.00 H new ATOM 0 HB3 PRO A 55 8.680 -1.240 -3.186 1.00 0.00 H new ATOM 0 HG2 PRO A 55 7.989 0.970 -1.347 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.642 1.057 -2.971 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.925 1.539 -2.187 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.555 1.510 -3.822 1.00 0.00 H new ATOM 813 N SER A 56 5.694 -3.304 -1.325 1.00 0.00 N ATOM 814 CA SER A 56 5.091 -3.950 -0.172 1.00 0.00 C ATOM 815 C SER A 56 6.158 -4.232 0.887 1.00 0.00 C ATOM 816 O SER A 56 5.851 -4.744 1.963 1.00 0.00 O ATOM 817 CB SER A 56 4.386 -5.248 -0.574 1.00 0.00 C ATOM 818 OG SER A 56 5.311 -6.256 -0.974 1.00 0.00 O ATOM 0 H SER A 56 5.869 -3.922 -2.117 1.00 0.00 H new ATOM 0 HA SER A 56 4.343 -3.276 0.245 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.792 -5.613 0.264 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.694 -5.046 -1.391 1.00 0.00 H new ATOM 0 HG SER A 56 4.820 -7.044 -1.287 1.00 0.00 H new ATOM 824 N ASN A 57 7.391 -3.887 0.546 1.00 0.00 N ATOM 825 CA ASN A 57 8.506 -4.096 1.455 1.00 0.00 C ATOM 826 C ASN A 57 8.651 -2.876 2.366 1.00 0.00 C ATOM 827 O ASN A 57 9.467 -2.879 3.287 1.00 0.00 O ATOM 828 CB ASN A 57 9.817 -4.271 0.686 1.00 0.00 C ATOM 829 CG ASN A 57 10.084 -5.748 0.386 1.00 0.00 C ATOM 830 OD1 ASN A 57 9.256 -6.614 0.616 1.00 0.00 O ATOM 831 ND2 ASN A 57 11.282 -5.985 -0.139 1.00 0.00 N ATOM 0 H ASN A 57 7.643 -3.464 -0.347 1.00 0.00 H new ATOM 0 HA ASN A 57 8.305 -4.997 2.035 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.773 -3.709 -0.247 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.642 -3.860 1.268 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.556 -6.939 -0.375 1.00 0.00 H new ATOM 0 HD22 ASN A 57 11.927 -5.213 -0.306 1.00 0.00 H new ATOM 838 N PHE A 58 7.848 -1.863 2.078 1.00 0.00 N ATOM 839 CA PHE A 58 7.877 -0.639 2.861 1.00 0.00 C ATOM 840 C PHE A 58 6.526 -0.384 3.531 1.00 0.00 C ATOM 841 O PHE A 58 6.137 0.765 3.736 1.00 0.00 O ATOM 842 CB PHE A 58 8.175 0.506 1.890 1.00 0.00 C ATOM 843 CG PHE A 58 9.665 0.707 1.603 1.00 0.00 C ATOM 844 CD1 PHE A 58 10.489 1.170 2.581 1.00 0.00 C ATOM 845 CD2 PHE A 58 10.164 0.422 0.371 1.00 0.00 C ATOM 846 CE1 PHE A 58 11.871 1.357 2.315 1.00 0.00 C ATOM 847 CE2 PHE A 58 11.547 0.609 0.105 1.00 0.00 C ATOM 848 CZ PHE A 58 12.371 1.072 1.082 1.00 0.00 C ATOM 0 H PHE A 58 7.173 -1.864 1.313 1.00 0.00 H new ATOM 0 HA PHE A 58 8.632 -0.716 3.644 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.657 0.316 0.950 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.766 1.430 2.298 1.00 0.00 H new ATOM 0 HD1 PHE A 58 10.092 1.395 3.560 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.509 0.054 -0.405 1.00 0.00 H new ATOM 0 HE1 PHE A 58 12.525 1.725 3.091 1.00 0.00 H new ATOM 0 HE2 PHE A 58 11.944 0.383 -0.874 1.00 0.00 H new ATOM 0 HZ PHE A 58 13.422 1.214 0.880 1.00 0.00 H new ATOM 858 N ILE A 59 5.846 -1.475 3.854 1.00 0.00 N ATOM 859 CA ILE A 59 4.547 -1.384 4.497 1.00 0.00 C ATOM 860 C ILE A 59 4.438 -2.467 5.573 1.00 0.00 C ATOM 861 O ILE A 59 5.405 -3.177 5.844 1.00 0.00 O ATOM 862 CB ILE A 59 3.428 -1.439 3.454 1.00 0.00 C ATOM 863 CG1 ILE A 59 3.651 -2.590 2.471 1.00 0.00 C ATOM 864 CG2 ILE A 59 3.278 -0.095 2.740 1.00 0.00 C ATOM 865 CD1 ILE A 59 3.112 -3.906 3.035 1.00 0.00 C ATOM 0 H ILE A 59 6.171 -2.426 3.682 1.00 0.00 H new ATOM 0 HA ILE A 59 4.437 -0.423 4.999 1.00 0.00 H new ATOM 0 HB ILE A 59 2.488 -1.635 3.970 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.157 -2.366 1.526 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.715 -2.690 2.259 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.476 -0.161 2.004 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.039 0.679 3.469 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.212 0.156 2.237 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.283 -4.707 2.316 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.625 -4.139 3.968 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.043 -3.810 3.223 1.00 0.00 H new ATOM 877 N LYS A 60 3.252 -2.559 6.156 1.00 0.00 N ATOM 878 CA LYS A 60 3.005 -3.543 7.196 1.00 0.00 C ATOM 879 C LYS A 60 1.562 -4.042 7.088 1.00 0.00 C ATOM 880 O LYS A 60 0.626 -3.328 7.442 1.00 0.00 O ATOM 881 CB LYS A 60 3.355 -2.970 8.571 1.00 0.00 C ATOM 882 CG LYS A 60 2.495 -1.745 8.889 1.00 0.00 C ATOM 883 CD LYS A 60 3.225 -0.794 9.839 1.00 0.00 C ATOM 884 CE LYS A 60 2.735 -0.973 11.278 1.00 0.00 C ATOM 885 NZ LYS A 60 3.412 -0.014 12.179 1.00 0.00 N ATOM 0 H LYS A 60 2.452 -1.969 5.928 1.00 0.00 H new ATOM 0 HA LYS A 60 3.654 -4.409 7.062 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.205 -3.732 9.336 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.409 -2.695 8.597 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.246 -1.222 7.966 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.555 -2.063 9.339 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.298 -0.979 9.791 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.065 0.236 9.522 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.656 -0.823 11.322 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.929 -1.993 11.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.068 -0.149 13.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.439 -0.176 12.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.205 0.957 11.870 1.00 0.00 H new ATOM 899 N GLU A 61 1.429 -5.265 6.596 1.00 0.00 N ATOM 900 CA GLU A 61 0.117 -5.868 6.436 1.00 0.00 C ATOM 901 C GLU A 61 -0.670 -5.784 7.745 1.00 0.00 C ATOM 902 O GLU A 61 -0.099 -5.508 8.799 1.00 0.00 O ATOM 903 CB GLU A 61 0.233 -7.317 5.959 1.00 0.00 C ATOM 904 CG GLU A 61 1.267 -7.444 4.838 1.00 0.00 C ATOM 905 CD GLU A 61 2.449 -8.311 5.277 1.00 0.00 C ATOM 906 OE1 GLU A 61 2.180 -9.397 5.834 1.00 0.00 O ATOM 907 OE2 GLU A 61 3.594 -7.867 5.046 1.00 0.00 O ATOM 0 H GLU A 61 2.208 -5.854 6.303 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.425 -5.311 5.672 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.517 -7.957 6.794 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.737 -7.666 5.605 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.800 -7.880 3.955 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.624 -6.454 4.554 1.00 0.00 H new ATOM 914 N LEU A 62 -1.968 -6.026 7.636 1.00 0.00 N ATOM 915 CA LEU A 62 -2.838 -5.981 8.798 1.00 0.00 C ATOM 916 C LEU A 62 -3.882 -7.094 8.692 1.00 0.00 C ATOM 917 O LEU A 62 -4.007 -7.736 7.650 1.00 0.00 O ATOM 918 CB LEU A 62 -3.442 -4.584 8.961 1.00 0.00 C ATOM 919 CG LEU A 62 -2.485 -3.410 8.745 1.00 0.00 C ATOM 920 CD1 LEU A 62 -3.230 -2.190 8.200 1.00 0.00 C ATOM 921 CD2 LEU A 62 -1.716 -3.086 10.027 1.00 0.00 C ATOM 0 H LEU A 62 -2.438 -6.254 6.760 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.268 -6.165 9.708 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.271 -4.484 8.261 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.861 -4.506 9.964 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.750 -3.701 7.994 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.527 -1.369 8.055 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.694 -2.443 7.247 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.000 -1.887 8.909 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.043 -2.248 9.846 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.420 -2.822 10.817 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.137 -3.957 10.334 1.00 0.00 H new ATOM 933 N SER A 63 -4.607 -7.288 9.784 1.00 0.00 N ATOM 934 CA SER A 63 -5.636 -8.313 9.827 1.00 0.00 C ATOM 935 C SER A 63 -6.334 -8.297 11.188 1.00 0.00 C ATOM 936 O SER A 63 -5.719 -8.605 12.208 1.00 0.00 O ATOM 937 CB SER A 63 -5.047 -9.697 9.548 1.00 0.00 C ATOM 938 OG SER A 63 -3.938 -9.986 10.394 1.00 0.00 O ATOM 0 H SER A 63 -4.502 -6.753 10.646 1.00 0.00 H new ATOM 0 HA SER A 63 -6.367 -8.096 9.049 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.818 -10.454 9.690 1.00 0.00 H new ATOM 0 HB3 SER A 63 -4.732 -9.754 8.506 1.00 0.00 H new ATOM 0 HG SER A 63 -4.114 -9.639 11.294 1.00 0.00 H new ATOM 944 N GLY A 64 -7.608 -7.936 11.160 1.00 0.00 N ATOM 945 CA GLY A 64 -8.396 -7.876 12.380 1.00 0.00 C ATOM 946 C GLY A 64 -9.886 -7.729 12.063 1.00 0.00 C ATOM 947 O GLY A 64 -10.253 -7.317 10.964 1.00 0.00 O ATOM 0 H GLY A 64 -8.115 -7.682 10.312 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.233 -8.780 12.967 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -8.065 -7.035 12.990 1.00 0.00 H new ATOM 951 N PRO A 65 -10.726 -8.083 13.073 1.00 0.00 N ATOM 952 CA PRO A 65 -12.167 -7.994 12.913 1.00 0.00 C ATOM 953 C PRO A 65 -12.638 -6.540 12.984 1.00 0.00 C ATOM 954 O PRO A 65 -12.015 -5.714 13.649 1.00 0.00 O ATOM 955 CB PRO A 65 -12.740 -8.859 14.024 1.00 0.00 C ATOM 956 CG PRO A 65 -11.623 -9.024 15.042 1.00 0.00 C ATOM 957 CD PRO A 65 -10.327 -8.575 14.388 1.00 0.00 C ATOM 0 HA PRO A 65 -12.505 -8.346 11.938 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -13.613 -8.388 14.475 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -13.063 -9.826 13.639 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -11.827 -8.430 15.933 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -11.549 -10.063 15.362 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -9.839 -7.794 14.971 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -9.619 -9.400 14.304 1.00 0.00 H new ATOM 965 N SER A 66 -13.735 -6.272 12.291 1.00 0.00 N ATOM 966 CA SER A 66 -14.297 -4.933 12.267 1.00 0.00 C ATOM 967 C SER A 66 -15.618 -4.933 11.494 1.00 0.00 C ATOM 968 O SER A 66 -15.680 -5.416 10.365 1.00 0.00 O ATOM 969 CB SER A 66 -13.318 -3.936 11.645 1.00 0.00 C ATOM 970 OG SER A 66 -13.295 -4.027 10.223 1.00 0.00 O ATOM 0 H SER A 66 -14.250 -6.960 11.742 1.00 0.00 H new ATOM 0 HA SER A 66 -14.485 -4.623 13.295 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.596 -2.924 11.939 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.317 -4.118 12.036 1.00 0.00 H new ATOM 0 HG SER A 66 -12.659 -3.373 9.864 1.00 0.00 H new ATOM 976 N SER A 67 -16.640 -4.385 12.134 1.00 0.00 N ATOM 977 CA SER A 67 -17.956 -4.315 11.520 1.00 0.00 C ATOM 978 C SER A 67 -18.578 -2.940 11.771 1.00 0.00 C ATOM 979 O SER A 67 -18.957 -2.246 10.829 1.00 0.00 O ATOM 980 CB SER A 67 -18.872 -5.418 12.056 1.00 0.00 C ATOM 981 OG SER A 67 -18.867 -5.472 13.480 1.00 0.00 O ATOM 0 H SER A 67 -16.584 -3.985 13.071 1.00 0.00 H new ATOM 0 HA SER A 67 -17.842 -4.464 10.446 1.00 0.00 H new ATOM 0 HB2 SER A 67 -19.889 -5.247 11.703 1.00 0.00 H new ATOM 0 HB3 SER A 67 -18.553 -6.380 11.656 1.00 0.00 H new ATOM 0 HG SER A 67 -19.465 -6.187 13.782 1.00 0.00 H new ATOM 987 N GLY A 68 -18.664 -2.588 13.045 1.00 0.00 N ATOM 988 CA GLY A 68 -19.234 -1.308 13.431 1.00 0.00 C ATOM 989 C GLY A 68 -20.490 -0.999 12.614 1.00 0.00 C ATOM 990 O GLY A 68 -21.409 -0.346 13.106 1.00 0.00 O ATOM 0 H GLY A 68 -18.349 -3.167 13.824 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -19.480 -1.321 14.493 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -18.497 -0.518 13.284 1.00 0.00 H new TER 994 GLY A 68