USER MOD reduce.3.24.130724 H: found=0, std=0, add=1011, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 1011 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 115 THR OG1 : rot 180:sc= 0.963 USER MOD Set 1.2: A 119 LYS NZ :NH3+ 150:sc= 2.4 (180deg=-0.11) USER MOD Set 2.1: A 56 SER OG : rot 160:sc= 0 USER MOD Set 2.2: A 85 MET CE :methyl 154:sc=-0.00164 (180deg=-0.492) USER MOD Set 3.1: A 63 MET CE :methyl -171:sc= 0 (180deg=-0.0847) USER MOD Set 3.2: A 71 THR OG1 : rot 72:sc= 1.22 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -178:sc= 0 (180deg=-0.00368) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 167:sc= 0.515 (180deg=0.44) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 116:sc= 0.634 USER MOD Single : A 17 MET CE :methyl -164:sc= -0.0474 (180deg=-0.21) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 32 ASN : amide:sc= -0.132 K(o=-0.13,f=-0.95) USER MOD Single : A 44 ASN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc=-0.00435 K(o=-0.0044,f=-1.1) USER MOD Single : A 51 TYR OH : rot 30:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 1.42 K(o=1.4,f=-5.2!) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 100:sc= 0.388 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= -0.644 X(o=-0.64,f=-0.7) USER MOD Single : A 100 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.25) USER MOD Single : A 104 SER OG : rot -144:sc= 1.09 USER MOD Single : A 106 TYR OH : rot 14:sc= 1.26 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 MET CE :methyl 137:sc= -0.734 (180deg=-2.61) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 23.205 -18.953 1.558 1.00 0.00 N ATOM 2 CA MET A 1 22.128 -18.083 2.056 1.00 0.00 C ATOM 3 C MET A 1 21.729 -17.111 0.962 1.00 0.00 C ATOM 4 O MET A 1 22.585 -16.483 0.336 1.00 0.00 O ATOM 5 CB MET A 1 22.546 -17.265 3.283 1.00 0.00 C ATOM 6 CG MET A 1 22.733 -18.078 4.558 1.00 0.00 C ATOM 7 SD MET A 1 23.559 -17.123 5.851 1.00 0.00 S ATOM 8 CE MET A 1 23.864 -18.452 7.032 1.00 0.00 C ATOM 0 H1 MET A 1 23.460 -19.644 2.292 1.00 0.00 H new ATOM 0 H2 MET A 1 22.880 -19.455 0.707 1.00 0.00 H new ATOM 0 H3 MET A 1 24.037 -18.375 1.323 1.00 0.00 H new ATOM 0 HA MET A 1 21.302 -18.733 2.345 1.00 0.00 H new ATOM 0 HB2 MET A 1 23.479 -16.749 3.058 1.00 0.00 H new ATOM 0 HB3 MET A 1 21.793 -16.498 3.465 1.00 0.00 H new ATOM 0 HG2 MET A 1 21.761 -18.414 4.920 1.00 0.00 H new ATOM 0 HG3 MET A 1 23.318 -18.971 4.337 1.00 0.00 H new ATOM 0 HE1 MET A 1 24.373 -18.051 7.908 1.00 0.00 H new ATOM 0 HE2 MET A 1 22.915 -18.894 7.335 1.00 0.00 H new ATOM 0 HE3 MET A 1 24.488 -19.215 6.567 1.00 0.00 H new ATOM 20 N ALA A 2 20.426 -16.943 0.768 1.00 0.00 N ATOM 21 CA ALA A 2 19.818 -15.801 0.108 1.00 0.00 C ATOM 22 C ALA A 2 18.471 -15.564 0.790 1.00 0.00 C ATOM 23 O ALA A 2 18.085 -16.339 1.674 1.00 0.00 O ATOM 24 CB ALA A 2 19.679 -16.071 -1.393 1.00 0.00 C ATOM 0 H ALA A 2 19.739 -17.629 1.080 1.00 0.00 H new ATOM 0 HA ALA A 2 20.432 -14.905 0.196 1.00 0.00 H new ATOM 0 HB1 ALA A 2 19.222 -15.208 -1.877 1.00 0.00 H new ATOM 0 HB2 ALA A 2 20.664 -16.249 -1.823 1.00 0.00 H new ATOM 0 HB3 ALA A 2 19.051 -16.949 -1.548 1.00 0.00 H new ATOM 30 N ASP A 3 17.749 -14.523 0.392 1.00 0.00 N ATOM 31 CA ASP A 3 16.449 -14.199 0.967 1.00 0.00 C ATOM 32 C ASP A 3 15.441 -13.916 -0.133 1.00 0.00 C ATOM 33 O ASP A 3 15.783 -13.416 -1.217 1.00 0.00 O ATOM 34 CB ASP A 3 16.528 -12.972 1.888 1.00 0.00 C ATOM 35 CG ASP A 3 17.273 -13.216 3.193 1.00 0.00 C ATOM 36 OD1 ASP A 3 17.060 -14.251 3.862 1.00 0.00 O ATOM 37 OD2 ASP A 3 18.049 -12.314 3.585 1.00 0.00 O ATOM 0 H ASP A 3 18.049 -13.879 -0.340 1.00 0.00 H new ATOM 0 HA ASP A 3 16.133 -15.061 1.554 1.00 0.00 H new ATOM 0 HB2 ASP A 3 17.017 -12.160 1.350 1.00 0.00 H new ATOM 0 HB3 ASP A 3 15.516 -12.639 2.118 1.00 0.00 H new ATOM 42 N LYS A 4 14.171 -14.125 0.215 1.00 0.00 N ATOM 43 CA LYS A 4 12.992 -13.706 -0.532 1.00 0.00 C ATOM 44 C LYS A 4 13.078 -12.237 -0.919 1.00 0.00 C ATOM 45 O LYS A 4 12.600 -11.887 -1.996 1.00 0.00 O ATOM 46 CB LYS A 4 11.753 -13.910 0.356 1.00 0.00 C ATOM 47 CG LYS A 4 11.330 -15.379 0.535 1.00 0.00 C ATOM 48 CD LYS A 4 10.509 -15.887 -0.662 1.00 0.00 C ATOM 49 CE LYS A 4 9.482 -16.932 -0.204 1.00 0.00 C ATOM 50 NZ LYS A 4 8.297 -16.969 -1.084 1.00 0.00 N ATOM 0 H LYS A 4 13.927 -14.619 1.074 1.00 0.00 H new ATOM 0 HA LYS A 4 12.927 -14.301 -1.443 1.00 0.00 H new ATOM 0 HB2 LYS A 4 11.951 -13.480 1.338 1.00 0.00 H new ATOM 0 HB3 LYS A 4 10.919 -13.355 -0.073 1.00 0.00 H new ATOM 0 HG2 LYS A 4 12.217 -16.000 0.657 1.00 0.00 H new ATOM 0 HG3 LYS A 4 10.742 -15.479 1.448 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.998 -15.052 -1.141 1.00 0.00 H new ATOM 0 HD3 LYS A 4 11.174 -16.324 -1.407 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.950 -17.916 -0.186 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.169 -16.709 0.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.630 -17.688 -0.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.834 -16.038 -1.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.591 -17.207 -2.053 1.00 0.00 H new ATOM 64 N GLU A 5 13.694 -11.404 -0.070 1.00 0.00 N ATOM 65 CA GLU A 5 13.705 -9.944 -0.156 1.00 0.00 C ATOM 66 C GLU A 5 12.303 -9.466 -0.536 1.00 0.00 C ATOM 67 O GLU A 5 12.080 -8.832 -1.579 1.00 0.00 O ATOM 68 CB GLU A 5 14.845 -9.433 -1.058 1.00 0.00 C ATOM 69 CG GLU A 5 16.215 -9.775 -0.445 1.00 0.00 C ATOM 70 CD GLU A 5 17.425 -9.269 -1.239 1.00 0.00 C ATOM 71 OE1 GLU A 5 17.392 -8.158 -1.806 1.00 0.00 O ATOM 72 OE2 GLU A 5 18.450 -9.995 -1.260 1.00 0.00 O ATOM 0 H GLU A 5 14.222 -11.749 0.732 1.00 0.00 H new ATOM 0 HA GLU A 5 13.936 -9.501 0.813 1.00 0.00 H new ATOM 0 HB2 GLU A 5 14.761 -9.881 -2.048 1.00 0.00 H new ATOM 0 HB3 GLU A 5 14.758 -8.354 -1.188 1.00 0.00 H new ATOM 0 HG2 GLU A 5 16.260 -9.359 0.561 1.00 0.00 H new ATOM 0 HG3 GLU A 5 16.292 -10.858 -0.346 1.00 0.00 H new ATOM 79 N LEU A 6 11.351 -9.899 0.302 1.00 0.00 N ATOM 80 CA LEU A 6 9.917 -9.688 0.192 1.00 0.00 C ATOM 81 C LEU A 6 9.667 -8.202 -0.009 1.00 0.00 C ATOM 82 O LEU A 6 9.903 -7.393 0.889 1.00 0.00 O ATOM 83 CB LEU A 6 9.211 -10.240 1.436 1.00 0.00 C ATOM 84 CG LEU A 6 7.698 -9.925 1.414 1.00 0.00 C ATOM 85 CD1 LEU A 6 6.861 -11.199 1.489 1.00 0.00 C ATOM 86 CD2 LEU A 6 7.325 -8.976 2.556 1.00 0.00 C ATOM 0 H LEU A 6 11.589 -10.444 1.131 1.00 0.00 H new ATOM 0 HA LEU A 6 9.507 -10.224 -0.664 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.359 -11.319 1.491 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.660 -9.811 2.331 1.00 0.00 H new ATOM 0 HG LEU A 6 7.479 -9.434 0.466 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.802 -10.940 1.471 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.093 -11.837 0.636 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.089 -11.730 2.413 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.256 -8.768 2.521 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.574 -9.440 3.510 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.880 -8.044 2.450 1.00 0.00 H new ATOM 98 N LYS A 7 9.277 -7.854 -1.228 1.00 0.00 N ATOM 99 CA LYS A 7 9.349 -6.476 -1.675 1.00 0.00 C ATOM 100 C LYS A 7 8.106 -5.728 -1.195 1.00 0.00 C ATOM 101 O LYS A 7 7.003 -6.289 -1.235 1.00 0.00 O ATOM 102 CB LYS A 7 9.454 -6.468 -3.207 1.00 0.00 C ATOM 103 CG LYS A 7 10.140 -5.196 -3.720 1.00 0.00 C ATOM 104 CD LYS A 7 11.667 -5.264 -3.615 1.00 0.00 C ATOM 105 CE LYS A 7 12.215 -6.263 -4.641 1.00 0.00 C ATOM 106 NZ LYS A 7 13.017 -7.341 -4.011 1.00 0.00 N ATOM 0 H LYS A 7 8.909 -8.507 -1.920 1.00 0.00 H new ATOM 0 HA LYS A 7 10.224 -5.975 -1.262 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.014 -7.343 -3.538 1.00 0.00 H new ATOM 0 HB3 LYS A 7 8.457 -6.544 -3.641 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.858 -5.031 -4.760 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.779 -4.339 -3.152 1.00 0.00 H new ATOM 0 HD2 LYS A 7 12.097 -4.278 -3.789 1.00 0.00 H new ATOM 0 HD3 LYS A 7 11.958 -5.566 -2.609 1.00 0.00 H new ATOM 0 HE2 LYS A 7 11.385 -6.706 -5.191 1.00 0.00 H new ATOM 0 HE3 LYS A 7 12.831 -5.733 -5.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 13.178 -8.102 -4.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 13.932 -6.956 -3.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 12.504 -7.721 -3.190 1.00 0.00 H new ATOM 120 N PHE A 8 8.263 -4.461 -0.817 1.00 0.00 N ATOM 121 CA PHE A 8 7.179 -3.567 -0.429 1.00 0.00 C ATOM 122 C PHE A 8 7.062 -2.492 -1.510 1.00 0.00 C ATOM 123 O PHE A 8 7.824 -1.532 -1.480 1.00 0.00 O ATOM 124 CB PHE A 8 7.508 -2.963 0.951 1.00 0.00 C ATOM 125 CG PHE A 8 6.887 -3.668 2.137 1.00 0.00 C ATOM 126 CD1 PHE A 8 7.311 -4.953 2.527 1.00 0.00 C ATOM 127 CD2 PHE A 8 5.871 -3.022 2.862 1.00 0.00 C ATOM 128 CE1 PHE A 8 6.693 -5.586 3.621 1.00 0.00 C ATOM 129 CE2 PHE A 8 5.248 -3.658 3.946 1.00 0.00 C ATOM 130 CZ PHE A 8 5.661 -4.944 4.323 1.00 0.00 C ATOM 0 H PHE A 8 9.180 -4.016 -0.772 1.00 0.00 H new ATOM 0 HA PHE A 8 6.226 -4.088 -0.344 1.00 0.00 H new ATOM 0 HB2 PHE A 8 8.591 -2.961 1.078 1.00 0.00 H new ATOM 0 HB3 PHE A 8 7.184 -1.922 0.959 1.00 0.00 H new ATOM 0 HD1 PHE A 8 8.106 -5.449 1.990 1.00 0.00 H new ATOM 0 HD2 PHE A 8 5.566 -2.025 2.581 1.00 0.00 H new ATOM 0 HE1 PHE A 8 7.015 -6.572 3.922 1.00 0.00 H new ATOM 0 HE2 PHE A 8 4.456 -3.161 4.486 1.00 0.00 H new ATOM 0 HZ PHE A 8 5.184 -5.441 5.155 1.00 0.00 H new ATOM 140 N LEU A 9 6.178 -2.637 -2.499 1.00 0.00 N ATOM 141 CA LEU A 9 5.976 -1.558 -3.469 1.00 0.00 C ATOM 142 C LEU A 9 5.279 -0.394 -2.761 1.00 0.00 C ATOM 143 O LEU A 9 4.318 -0.634 -2.031 1.00 0.00 O ATOM 144 CB LEU A 9 5.143 -2.040 -4.667 1.00 0.00 C ATOM 145 CG LEU A 9 5.137 -1.012 -5.814 1.00 0.00 C ATOM 146 CD1 LEU A 9 6.495 -0.931 -6.515 1.00 0.00 C ATOM 147 CD2 LEU A 9 4.076 -1.361 -6.848 1.00 0.00 C ATOM 0 H LEU A 9 5.604 -3.467 -2.649 1.00 0.00 H new ATOM 0 HA LEU A 9 6.941 -1.233 -3.857 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.543 -2.987 -5.030 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.119 -2.230 -4.344 1.00 0.00 H new ATOM 0 HG LEU A 9 4.914 -0.045 -5.364 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.447 -0.195 -7.317 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.259 -0.635 -5.796 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.748 -1.906 -6.932 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.091 -0.621 -7.648 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.282 -2.348 -7.262 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.094 -1.364 -6.375 1.00 0.00 H new ATOM 159 N VAL A 10 5.727 0.840 -2.991 1.00 0.00 N ATOM 160 CA VAL A 10 5.183 2.060 -2.393 1.00 0.00 C ATOM 161 C VAL A 10 4.976 3.093 -3.508 1.00 0.00 C ATOM 162 O VAL A 10 5.939 3.553 -4.123 1.00 0.00 O ATOM 163 CB VAL A 10 6.111 2.572 -1.265 1.00 0.00 C ATOM 164 CG1 VAL A 10 5.520 3.811 -0.575 1.00 0.00 C ATOM 165 CG2 VAL A 10 6.363 1.522 -0.168 1.00 0.00 C ATOM 0 H VAL A 10 6.507 1.025 -3.622 1.00 0.00 H new ATOM 0 HA VAL A 10 4.219 1.863 -1.924 1.00 0.00 H new ATOM 0 HB VAL A 10 7.052 2.809 -1.762 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.195 4.146 0.212 1.00 0.00 H new ATOM 0 HG12 VAL A 10 5.392 4.609 -1.307 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.553 3.559 -0.140 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.021 1.942 0.593 1.00 0.00 H new ATOM 0 HG22 VAL A 10 5.415 1.238 0.288 1.00 0.00 H new ATOM 0 HG23 VAL A 10 6.832 0.642 -0.608 1.00 0.00 H new ATOM 175 N VAL A 11 3.728 3.458 -3.792 1.00 0.00 N ATOM 176 CA VAL A 11 3.342 4.316 -4.908 1.00 0.00 C ATOM 177 C VAL A 11 2.467 5.443 -4.358 1.00 0.00 C ATOM 178 O VAL A 11 1.276 5.522 -4.645 1.00 0.00 O ATOM 179 CB VAL A 11 2.661 3.483 -6.023 1.00 0.00 C ATOM 180 CG1 VAL A 11 2.605 4.284 -7.330 1.00 0.00 C ATOM 181 CG2 VAL A 11 3.386 2.157 -6.298 1.00 0.00 C ATOM 0 H VAL A 11 2.931 3.154 -3.232 1.00 0.00 H new ATOM 0 HA VAL A 11 4.214 4.769 -5.380 1.00 0.00 H new ATOM 0 HB VAL A 11 1.656 3.257 -5.665 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.124 3.685 -8.103 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.034 5.199 -7.172 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.617 4.538 -7.645 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.866 1.615 -7.088 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.410 2.360 -6.611 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.397 1.554 -5.390 1.00 0.00 H new ATOM 191 N ASP A 12 3.049 6.297 -3.512 1.00 0.00 N ATOM 192 CA ASP A 12 2.353 7.496 -3.045 1.00 0.00 C ATOM 193 C ASP A 12 2.397 8.573 -4.129 1.00 0.00 C ATOM 194 O ASP A 12 3.341 8.602 -4.925 1.00 0.00 O ATOM 195 CB ASP A 12 2.980 8.054 -1.763 1.00 0.00 C ATOM 196 CG ASP A 12 1.923 8.795 -0.961 1.00 0.00 C ATOM 197 OD1 ASP A 12 1.593 9.950 -1.316 1.00 0.00 O ATOM 198 OD2 ASP A 12 1.381 8.163 -0.029 1.00 0.00 O ATOM 0 H ASP A 12 3.992 6.181 -3.140 1.00 0.00 H new ATOM 0 HA ASP A 12 1.322 7.215 -2.829 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.400 7.243 -1.168 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.801 8.726 -2.010 1.00 0.00 H new ATOM 203 N ASP A 13 1.461 9.515 -4.105 1.00 0.00 N ATOM 204 CA ASP A 13 1.479 10.708 -4.936 1.00 0.00 C ATOM 205 C ASP A 13 2.719 11.522 -4.597 1.00 0.00 C ATOM 206 O ASP A 13 3.488 11.894 -5.487 1.00 0.00 O ATOM 207 CB ASP A 13 0.233 11.563 -4.674 1.00 0.00 C ATOM 208 CG ASP A 13 0.325 12.897 -5.417 1.00 0.00 C ATOM 209 OD1 ASP A 13 0.989 13.831 -4.911 1.00 0.00 O ATOM 210 OD2 ASP A 13 -0.312 13.048 -6.483 1.00 0.00 O ATOM 0 H ASP A 13 0.649 9.467 -3.490 1.00 0.00 H new ATOM 0 HA ASP A 13 1.490 10.412 -5.985 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.658 11.023 -4.995 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.128 11.744 -3.604 1.00 0.00 H new ATOM 215 N PHE A 14 2.917 11.803 -3.310 1.00 0.00 N ATOM 216 CA PHE A 14 3.984 12.657 -2.836 1.00 0.00 C ATOM 217 C PHE A 14 5.199 11.762 -2.637 1.00 0.00 C ATOM 218 O PHE A 14 5.210 10.961 -1.705 1.00 0.00 O ATOM 219 CB PHE A 14 3.520 13.361 -1.544 1.00 0.00 C ATOM 220 CG PHE A 14 4.435 14.419 -0.932 1.00 0.00 C ATOM 221 CD1 PHE A 14 5.337 15.158 -1.723 1.00 0.00 C ATOM 222 CD2 PHE A 14 4.322 14.737 0.436 1.00 0.00 C ATOM 223 CE1 PHE A 14 6.129 16.175 -1.160 1.00 0.00 C ATOM 224 CE2 PHE A 14 5.117 15.746 1.005 1.00 0.00 C ATOM 225 CZ PHE A 14 6.030 16.459 0.211 1.00 0.00 C ATOM 0 H PHE A 14 2.328 11.434 -2.563 1.00 0.00 H new ATOM 0 HA PHE A 14 4.247 13.448 -3.538 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.557 13.830 -1.747 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.347 12.593 -0.790 1.00 0.00 H new ATOM 0 HD1 PHE A 14 5.422 14.940 -2.777 1.00 0.00 H new ATOM 0 HD2 PHE A 14 3.617 14.200 1.053 1.00 0.00 H new ATOM 0 HE1 PHE A 14 6.812 16.736 -1.781 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.026 15.974 2.057 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.653 17.222 0.653 1.00 0.00 H new ATOM 235 N SER A 15 6.231 11.864 -3.484 1.00 0.00 N ATOM 236 CA SER A 15 7.430 11.045 -3.318 1.00 0.00 C ATOM 237 C SER A 15 7.976 11.143 -1.886 1.00 0.00 C ATOM 238 O SER A 15 8.250 10.100 -1.298 1.00 0.00 O ATOM 239 CB SER A 15 8.488 11.376 -4.377 1.00 0.00 C ATOM 240 OG SER A 15 8.313 10.573 -5.533 1.00 0.00 O ATOM 0 H SER A 15 6.257 12.499 -4.282 1.00 0.00 H new ATOM 0 HA SER A 15 7.151 10.003 -3.477 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.421 12.430 -4.647 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.484 11.215 -3.965 1.00 0.00 H new ATOM 0 HG SER A 15 8.997 10.801 -6.197 1.00 0.00 H new ATOM 246 N THR A 16 8.030 12.330 -1.265 1.00 0.00 N ATOM 247 CA THR A 16 8.400 12.449 0.151 1.00 0.00 C ATOM 248 C THR A 16 7.573 11.499 1.035 1.00 0.00 C ATOM 249 O THR A 16 8.136 10.796 1.873 1.00 0.00 O ATOM 250 CB THR A 16 8.247 13.896 0.637 1.00 0.00 C ATOM 251 OG1 THR A 16 8.927 14.796 -0.228 1.00 0.00 O ATOM 252 CG2 THR A 16 8.801 14.068 2.056 1.00 0.00 C ATOM 0 H THR A 16 7.823 13.219 -1.720 1.00 0.00 H new ATOM 0 HA THR A 16 9.448 12.161 0.237 1.00 0.00 H new ATOM 0 HB THR A 16 7.180 14.121 0.637 1.00 0.00 H new ATOM 0 HG1 THR A 16 8.278 15.396 -0.651 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.678 15.104 2.372 1.00 0.00 H new ATOM 0 HG22 THR A 16 8.260 13.414 2.740 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.860 13.809 2.067 1.00 0.00 H new ATOM 260 N MET A 17 6.257 11.433 0.841 1.00 0.00 N ATOM 261 CA MET A 17 5.365 10.595 1.630 1.00 0.00 C ATOM 262 C MET A 17 5.701 9.101 1.468 1.00 0.00 C ATOM 263 O MET A 17 5.508 8.330 2.409 1.00 0.00 O ATOM 264 CB MET A 17 3.917 10.945 1.258 1.00 0.00 C ATOM 265 CG MET A 17 2.892 10.510 2.299 1.00 0.00 C ATOM 266 SD MET A 17 1.148 10.944 2.002 1.00 0.00 S ATOM 267 CE MET A 17 1.199 12.730 1.718 1.00 0.00 C ATOM 0 H MET A 17 5.776 11.970 0.119 1.00 0.00 H new ATOM 0 HA MET A 17 5.499 10.794 2.693 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.839 12.023 1.113 1.00 0.00 H new ATOM 0 HB3 MET A 17 3.673 10.477 0.304 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.956 9.427 2.400 1.00 0.00 H new ATOM 0 HG3 MET A 17 3.185 10.937 3.258 1.00 0.00 H new ATOM 0 HE1 MET A 17 0.194 13.142 1.810 1.00 0.00 H new ATOM 0 HE2 MET A 17 1.852 13.197 2.456 1.00 0.00 H new ATOM 0 HE3 MET A 17 1.582 12.928 0.717 1.00 0.00 H new ATOM 277 N ARG A 18 6.319 8.675 0.356 1.00 0.00 N ATOM 278 CA ARG A 18 6.839 7.316 0.217 1.00 0.00 C ATOM 279 C ARG A 18 8.032 7.103 1.139 1.00 0.00 C ATOM 280 O ARG A 18 8.177 6.026 1.717 1.00 0.00 O ATOM 281 CB ARG A 18 7.297 7.059 -1.223 1.00 0.00 C ATOM 282 CG ARG A 18 6.247 7.372 -2.284 1.00 0.00 C ATOM 283 CD ARG A 18 6.823 7.127 -3.670 1.00 0.00 C ATOM 284 NE ARG A 18 5.857 7.456 -4.721 1.00 0.00 N ATOM 285 CZ ARG A 18 6.013 7.154 -6.009 1.00 0.00 C ATOM 286 NH1 ARG A 18 7.170 6.661 -6.426 1.00 0.00 N ATOM 287 NH2 ARG A 18 5.015 7.331 -6.863 1.00 0.00 N ATOM 0 H ARG A 18 6.469 9.262 -0.464 1.00 0.00 H new ATOM 0 HA ARG A 18 6.036 6.628 0.481 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.186 7.658 -1.421 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.590 6.013 -1.317 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.366 6.749 -2.131 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.923 8.409 -2.193 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.723 7.727 -3.802 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.120 6.082 -3.762 1.00 0.00 H new ATOM 0 HE ARG A 18 5.007 7.950 -4.448 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.931 6.516 -5.763 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.299 6.427 -7.410 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.122 7.700 -6.535 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.140 7.098 -7.848 1.00 0.00 H new ATOM 301 N ARG A 19 8.902 8.111 1.280 1.00 0.00 N ATOM 302 CA ARG A 19 10.061 8.017 2.164 1.00 0.00 C ATOM 303 C ARG A 19 9.558 7.935 3.599 1.00 0.00 C ATOM 304 O ARG A 19 10.140 7.156 4.353 1.00 0.00 O ATOM 305 CB ARG A 19 11.084 9.161 1.998 1.00 0.00 C ATOM 306 CG ARG A 19 11.903 9.142 0.692 1.00 0.00 C ATOM 307 CD ARG A 19 11.009 9.455 -0.501 1.00 0.00 C ATOM 308 NE ARG A 19 11.725 9.712 -1.759 1.00 0.00 N ATOM 309 CZ ARG A 19 11.333 9.300 -2.971 1.00 0.00 C ATOM 310 NH1 ARG A 19 10.394 8.370 -3.104 1.00 0.00 N ATOM 311 NH2 ARG A 19 11.878 9.854 -4.043 1.00 0.00 N ATOM 0 H ARG A 19 8.821 9.002 0.790 1.00 0.00 H new ATOM 0 HA ARG A 19 10.613 7.118 1.889 1.00 0.00 H new ATOM 0 HB2 ARG A 19 10.552 10.111 2.058 1.00 0.00 H new ATOM 0 HB3 ARG A 19 11.776 9.130 2.840 1.00 0.00 H new ATOM 0 HG2 ARG A 19 12.710 9.872 0.751 1.00 0.00 H new ATOM 0 HG3 ARG A 19 12.367 8.164 0.560 1.00 0.00 H new ATOM 0 HD2 ARG A 19 10.325 8.620 -0.653 1.00 0.00 H new ATOM 0 HD3 ARG A 19 10.400 10.327 -0.262 1.00 0.00 H new ATOM 0 HE ARG A 19 12.591 10.248 -1.704 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.961 7.960 -2.276 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.105 8.066 -4.034 1.00 0.00 H new ATOM 0 HH21 ARG A 19 12.584 10.582 -3.937 1.00 0.00 H new ATOM 0 HH22 ARG A 19 11.591 9.553 -4.974 1.00 0.00 H new ATOM 325 N ILE A 20 8.471 8.652 3.937 1.00 0.00 N ATOM 326 CA ILE A 20 7.753 8.499 5.200 1.00 0.00 C ATOM 327 C ILE A 20 7.376 7.023 5.337 1.00 0.00 C ATOM 328 O ILE A 20 7.893 6.382 6.240 1.00 0.00 O ATOM 329 CB ILE A 20 6.554 9.478 5.357 1.00 0.00 C ATOM 330 CG1 ILE A 20 6.970 10.851 5.923 1.00 0.00 C ATOM 331 CG2 ILE A 20 5.476 8.937 6.315 1.00 0.00 C ATOM 332 CD1 ILE A 20 7.884 11.658 5.002 1.00 0.00 C ATOM 0 H ILE A 20 8.067 9.362 3.327 1.00 0.00 H new ATOM 0 HA ILE A 20 8.400 8.783 6.030 1.00 0.00 H new ATOM 0 HB ILE A 20 6.166 9.581 4.344 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.072 11.434 6.127 1.00 0.00 H new ATOM 0 HG13 ILE A 20 7.476 10.700 6.877 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.661 9.657 6.390 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.091 7.992 5.933 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.912 8.779 7.301 1.00 0.00 H new ATOM 0 HD11 ILE A 20 8.129 12.609 5.475 1.00 0.00 H new ATOM 0 HD12 ILE A 20 8.801 11.098 4.817 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.375 11.844 4.056 1.00 0.00 H new ATOM 344 N VAL A 21 6.518 6.462 4.475 1.00 0.00 N ATOM 345 CA VAL A 21 6.072 5.063 4.563 1.00 0.00 C ATOM 346 C VAL A 21 7.266 4.120 4.782 1.00 0.00 C ATOM 347 O VAL A 21 7.238 3.293 5.693 1.00 0.00 O ATOM 348 CB VAL A 21 5.275 4.679 3.292 1.00 0.00 C ATOM 349 CG1 VAL A 21 5.003 3.171 3.197 1.00 0.00 C ATOM 350 CG2 VAL A 21 3.924 5.401 3.215 1.00 0.00 C ATOM 0 H VAL A 21 6.110 6.970 3.690 1.00 0.00 H new ATOM 0 HA VAL A 21 5.412 4.958 5.424 1.00 0.00 H new ATOM 0 HB VAL A 21 5.911 4.988 2.462 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.441 2.959 2.287 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.950 2.631 3.173 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.424 2.850 4.063 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.402 5.100 2.307 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.321 5.139 4.084 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.088 6.479 3.199 1.00 0.00 H new ATOM 360 N ARG A 22 8.328 4.250 3.979 1.00 0.00 N ATOM 361 CA ARG A 22 9.545 3.455 4.119 1.00 0.00 C ATOM 362 C ARG A 22 10.141 3.618 5.520 1.00 0.00 C ATOM 363 O ARG A 22 10.506 2.628 6.150 1.00 0.00 O ATOM 364 CB ARG A 22 10.539 3.870 3.022 1.00 0.00 C ATOM 365 CG ARG A 22 11.789 2.982 3.023 1.00 0.00 C ATOM 366 CD ARG A 22 12.883 3.534 2.102 1.00 0.00 C ATOM 367 NE ARG A 22 14.042 2.635 2.116 1.00 0.00 N ATOM 368 CZ ARG A 22 14.954 2.516 3.085 1.00 0.00 C ATOM 369 NH1 ARG A 22 15.013 3.374 4.103 1.00 0.00 N ATOM 370 NH2 ARG A 22 15.796 1.497 3.021 1.00 0.00 N ATOM 0 H ARG A 22 8.363 4.917 3.208 1.00 0.00 H new ATOM 0 HA ARG A 22 9.312 2.397 3.998 1.00 0.00 H new ATOM 0 HB2 ARG A 22 10.052 3.811 2.049 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.831 4.910 3.170 1.00 0.00 H new ATOM 0 HG2 ARG A 22 12.176 2.901 4.039 1.00 0.00 H new ATOM 0 HG3 ARG A 22 11.519 1.975 2.704 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.500 3.634 1.086 1.00 0.00 H new ATOM 0 HD3 ARG A 22 13.179 4.530 2.430 1.00 0.00 H new ATOM 0 HE ARG A 22 14.165 2.037 1.299 1.00 0.00 H new ATOM 0 HH11 ARG A 22 14.350 4.148 4.157 1.00 0.00 H new ATOM 0 HH12 ARG A 22 15.721 3.257 4.828 1.00 0.00 H new ATOM 0 HH21 ARG A 22 15.736 0.833 2.249 1.00 0.00 H new ATOM 0 HH22 ARG A 22 16.505 1.375 3.744 1.00 0.00 H new ATOM 384 N ASN A 23 10.253 4.851 6.008 1.00 0.00 N ATOM 385 CA ASN A 23 10.777 5.143 7.333 1.00 0.00 C ATOM 386 C ASN A 23 9.917 4.506 8.416 1.00 0.00 C ATOM 387 O ASN A 23 10.449 3.954 9.370 1.00 0.00 O ATOM 388 CB ASN A 23 10.885 6.657 7.563 1.00 0.00 C ATOM 389 CG ASN A 23 11.619 6.924 8.863 1.00 0.00 C ATOM 390 OD1 ASN A 23 12.766 6.506 8.999 1.00 0.00 O ATOM 391 ND2 ASN A 23 11.021 7.615 9.818 1.00 0.00 N ATOM 0 H ASN A 23 9.978 5.683 5.486 1.00 0.00 H new ATOM 0 HA ASN A 23 11.777 4.713 7.391 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.414 7.124 6.732 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.890 7.101 7.598 1.00 0.00 H new ATOM 0 HD21 ASN A 23 11.513 7.811 10.690 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.068 7.952 9.683 1.00 0.00 H new ATOM 398 N LEU A 24 8.595 4.533 8.268 1.00 0.00 N ATOM 399 CA LEU A 24 7.682 3.916 9.221 1.00 0.00 C ATOM 400 C LEU A 24 7.845 2.398 9.207 1.00 0.00 C ATOM 401 O LEU A 24 7.837 1.777 10.264 1.00 0.00 O ATOM 402 CB LEU A 24 6.232 4.312 8.917 1.00 0.00 C ATOM 403 CG LEU A 24 5.986 5.829 8.919 1.00 0.00 C ATOM 404 CD1 LEU A 24 4.547 6.090 8.487 1.00 0.00 C ATOM 405 CD2 LEU A 24 6.344 6.489 10.251 1.00 0.00 C ATOM 0 H LEU A 24 8.128 4.985 7.482 1.00 0.00 H new ATOM 0 HA LEU A 24 7.928 4.278 10.219 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.953 3.910 7.943 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.577 3.847 9.654 1.00 0.00 H new ATOM 0 HG LEU A 24 6.658 6.299 8.201 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.357 7.163 8.484 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.390 5.690 7.485 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.864 5.603 9.183 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.149 7.560 10.191 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.739 6.054 11.047 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.400 6.324 10.467 1.00 0.00 H new ATOM 417 N LEU A 25 8.050 1.793 8.035 1.00 0.00 N ATOM 418 CA LEU A 25 8.379 0.373 7.923 1.00 0.00 C ATOM 419 C LEU A 25 9.753 0.063 8.525 1.00 0.00 C ATOM 420 O LEU A 25 9.971 -1.056 8.985 1.00 0.00 O ATOM 421 CB LEU A 25 8.302 -0.067 6.452 1.00 0.00 C ATOM 422 CG LEU A 25 6.845 -0.203 5.973 1.00 0.00 C ATOM 423 CD1 LEU A 25 6.754 -0.055 4.455 1.00 0.00 C ATOM 424 CD2 LEU A 25 6.256 -1.557 6.389 1.00 0.00 C ATOM 0 H LEU A 25 7.992 2.275 7.138 1.00 0.00 H new ATOM 0 HA LEU A 25 7.647 -0.195 8.497 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.824 0.658 5.828 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.816 -1.021 6.330 1.00 0.00 H new ATOM 0 HG LEU A 25 6.270 0.595 6.443 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.715 -0.155 4.141 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.129 0.926 4.162 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.353 -0.830 3.977 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.226 -1.629 6.039 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.846 -2.361 5.949 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.277 -1.645 7.475 1.00 0.00 H new ATOM 436 N LYS A 26 10.688 1.017 8.569 1.00 0.00 N ATOM 437 CA LYS A 26 11.923 0.851 9.337 1.00 0.00 C ATOM 438 C LYS A 26 11.648 0.956 10.841 1.00 0.00 C ATOM 439 O LYS A 26 12.239 0.196 11.608 1.00 0.00 O ATOM 440 CB LYS A 26 13.004 1.842 8.876 1.00 0.00 C ATOM 441 CG LYS A 26 13.512 1.589 7.442 1.00 0.00 C ATOM 442 CD LYS A 26 14.794 0.742 7.370 1.00 0.00 C ATOM 443 CE LYS A 26 14.604 -0.664 7.946 1.00 0.00 C ATOM 444 NZ LYS A 26 15.848 -1.452 7.900 1.00 0.00 N ATOM 0 H LYS A 26 10.612 1.910 8.082 1.00 0.00 H new ATOM 0 HA LYS A 26 12.310 -0.150 9.147 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.605 2.854 8.936 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.848 1.791 9.564 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.727 1.090 6.873 1.00 0.00 H new ATOM 0 HG3 LYS A 26 13.696 2.548 6.959 1.00 0.00 H new ATOM 0 HD2 LYS A 26 15.116 0.665 6.332 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.591 1.249 7.914 1.00 0.00 H new ATOM 0 HE2 LYS A 26 14.260 -0.590 8.978 1.00 0.00 H new ATOM 0 HE3 LYS A 26 13.825 -1.183 7.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.676 -2.397 8.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 16.163 -1.545 6.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 16.584 -0.971 8.455 1.00 0.00 H new ATOM 458 N GLU A 27 10.760 1.844 11.281 1.00 0.00 N ATOM 459 CA GLU A 27 10.373 1.976 12.685 1.00 0.00 C ATOM 460 C GLU A 27 9.663 0.708 13.189 1.00 0.00 C ATOM 461 O GLU A 27 9.845 0.324 14.351 1.00 0.00 O ATOM 462 CB GLU A 27 9.473 3.213 12.866 1.00 0.00 C ATOM 463 CG GLU A 27 10.209 4.550 12.716 1.00 0.00 C ATOM 464 CD GLU A 27 11.152 4.818 13.888 1.00 0.00 C ATOM 465 OE1 GLU A 27 12.323 4.385 13.833 1.00 0.00 O ATOM 466 OE2 GLU A 27 10.717 5.443 14.886 1.00 0.00 O ATOM 0 H GLU A 27 10.282 2.501 10.665 1.00 0.00 H new ATOM 0 HA GLU A 27 11.277 2.105 13.281 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.665 3.171 12.135 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.013 3.173 13.853 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.778 4.549 11.786 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.481 5.358 12.644 1.00 0.00 H new ATOM 473 N LEU A 28 8.851 0.066 12.343 1.00 0.00 N ATOM 474 CA LEU A 28 8.127 -1.173 12.587 1.00 0.00 C ATOM 475 C LEU A 28 7.602 -1.705 11.259 1.00 0.00 C ATOM 476 O LEU A 28 6.595 -1.285 10.702 1.00 0.00 O ATOM 477 CB LEU A 28 7.018 -1.042 13.641 1.00 0.00 C ATOM 478 CG LEU A 28 6.221 0.273 13.648 1.00 0.00 C ATOM 479 CD1 LEU A 28 5.182 0.423 12.539 1.00 0.00 C ATOM 480 CD2 LEU A 28 5.559 0.408 15.019 1.00 0.00 C ATOM 0 H LEU A 28 8.674 0.429 11.406 1.00 0.00 H new ATOM 0 HA LEU A 28 8.824 -1.892 13.019 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.316 -1.864 13.500 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.468 -1.172 14.625 1.00 0.00 H new ATOM 0 HG LEU A 28 6.934 1.073 13.449 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.680 1.385 12.639 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.675 0.370 11.569 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.448 -0.379 12.617 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.984 1.334 15.056 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.894 -0.439 15.187 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.326 0.426 15.793 1.00 0.00 H new ATOM 492 N GLY A 29 8.330 -2.664 10.733 1.00 0.00 N ATOM 493 CA GLY A 29 7.907 -3.423 9.574 1.00 0.00 C ATOM 494 C GLY A 29 9.049 -4.218 8.978 1.00 0.00 C ATOM 495 O GLY A 29 9.506 -5.175 9.599 1.00 0.00 O ATOM 0 H GLY A 29 9.240 -2.943 11.099 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.101 -4.100 9.857 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.504 -2.745 8.822 1.00 0.00 H new ATOM 499 N PHE A 30 9.447 -3.837 7.761 1.00 0.00 N ATOM 500 CA PHE A 30 10.247 -4.627 6.832 1.00 0.00 C ATOM 501 C PHE A 30 11.183 -3.699 6.045 1.00 0.00 C ATOM 502 O PHE A 30 11.223 -2.491 6.300 1.00 0.00 O ATOM 503 CB PHE A 30 9.307 -5.394 5.887 1.00 0.00 C ATOM 504 CG PHE A 30 8.352 -6.356 6.572 1.00 0.00 C ATOM 505 CD1 PHE A 30 7.098 -5.906 7.027 1.00 0.00 C ATOM 506 CD2 PHE A 30 8.712 -7.706 6.745 1.00 0.00 C ATOM 507 CE1 PHE A 30 6.201 -6.800 7.634 1.00 0.00 C ATOM 508 CE2 PHE A 30 7.811 -8.604 7.346 1.00 0.00 C ATOM 509 CZ PHE A 30 6.557 -8.151 7.790 1.00 0.00 C ATOM 0 H PHE A 30 9.205 -2.922 7.381 1.00 0.00 H new ATOM 0 HA PHE A 30 10.858 -5.346 7.377 1.00 0.00 H new ATOM 0 HB2 PHE A 30 8.724 -4.672 5.315 1.00 0.00 H new ATOM 0 HB3 PHE A 30 9.912 -5.953 5.173 1.00 0.00 H new ATOM 0 HD1 PHE A 30 6.824 -4.868 6.909 1.00 0.00 H new ATOM 0 HD2 PHE A 30 9.681 -8.053 6.416 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.240 -6.450 7.980 1.00 0.00 H new ATOM 0 HE2 PHE A 30 8.083 -9.642 7.466 1.00 0.00 H new ATOM 0 HZ PHE A 30 5.866 -8.841 8.251 1.00 0.00 H new ATOM 519 N ASN A 31 11.949 -4.244 5.101 1.00 0.00 N ATOM 520 CA ASN A 31 12.885 -3.516 4.245 1.00 0.00 C ATOM 521 C ASN A 31 12.716 -3.962 2.788 1.00 0.00 C ATOM 522 O ASN A 31 11.807 -4.734 2.494 1.00 0.00 O ATOM 523 CB ASN A 31 14.325 -3.677 4.761 1.00 0.00 C ATOM 524 CG ASN A 31 14.902 -5.075 4.570 1.00 0.00 C ATOM 525 OD1 ASN A 31 15.311 -5.454 3.482 1.00 0.00 O ATOM 526 ND2 ASN A 31 14.936 -5.888 5.611 1.00 0.00 N ATOM 0 H ASN A 31 11.934 -5.245 4.904 1.00 0.00 H new ATOM 0 HA ASN A 31 12.663 -2.449 4.280 1.00 0.00 H new ATOM 0 HB2 ASN A 31 14.965 -2.958 4.249 1.00 0.00 H new ATOM 0 HB3 ASN A 31 14.349 -3.427 5.822 1.00 0.00 H new ATOM 0 HD21 ASN A 31 15.304 -6.834 5.508 1.00 0.00 H new ATOM 0 HD22 ASN A 31 14.594 -5.570 6.518 1.00 0.00 H new ATOM 533 N ASN A 32 13.558 -3.446 1.882 1.00 0.00 N ATOM 534 CA ASN A 32 13.455 -3.602 0.427 1.00 0.00 C ATOM 535 C ASN A 32 12.086 -3.156 -0.062 1.00 0.00 C ATOM 536 O ASN A 32 11.293 -3.921 -0.617 1.00 0.00 O ATOM 537 CB ASN A 32 13.872 -4.998 -0.074 1.00 0.00 C ATOM 538 CG ASN A 32 15.390 -5.164 -0.081 1.00 0.00 C ATOM 539 OD1 ASN A 32 16.116 -4.258 -0.495 1.00 0.00 O ATOM 540 ND2 ASN A 32 15.907 -6.285 0.384 1.00 0.00 N ATOM 0 H ASN A 32 14.364 -2.884 2.157 1.00 0.00 H new ATOM 0 HA ASN A 32 14.190 -2.937 -0.026 1.00 0.00 H new ATOM 0 HB2 ASN A 32 13.425 -5.762 0.562 1.00 0.00 H new ATOM 0 HB3 ASN A 32 13.484 -5.155 -1.080 1.00 0.00 H new ATOM 0 HD21 ASN A 32 16.919 -6.410 0.404 1.00 0.00 H new ATOM 0 HD22 ASN A 32 15.295 -7.027 0.724 1.00 0.00 H new ATOM 547 N VAL A 33 11.824 -1.865 0.130 1.00 0.00 N ATOM 548 CA VAL A 33 10.715 -1.226 -0.548 1.00 0.00 C ATOM 549 C VAL A 33 11.106 -1.003 -2.020 1.00 0.00 C ATOM 550 O VAL A 33 12.294 -0.957 -2.352 1.00 0.00 O ATOM 551 CB VAL A 33 10.269 0.050 0.197 1.00 0.00 C ATOM 552 CG1 VAL A 33 10.065 -0.199 1.707 1.00 0.00 C ATOM 553 CG2 VAL A 33 11.252 1.211 0.028 1.00 0.00 C ATOM 0 H VAL A 33 12.362 -1.253 0.744 1.00 0.00 H new ATOM 0 HA VAL A 33 9.833 -1.866 -0.541 1.00 0.00 H new ATOM 0 HB VAL A 33 9.318 0.323 -0.261 1.00 0.00 H new ATOM 0 HG11 VAL A 33 9.752 0.727 2.189 1.00 0.00 H new ATOM 0 HG12 VAL A 33 9.298 -0.960 1.850 1.00 0.00 H new ATOM 0 HG13 VAL A 33 11.001 -0.540 2.149 1.00 0.00 H new ATOM 0 HG21 VAL A 33 10.885 2.080 0.574 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.227 0.922 0.419 1.00 0.00 H new ATOM 0 HG23 VAL A 33 11.344 1.459 -1.029 1.00 0.00 H new ATOM 563 N GLU A 34 10.127 -0.809 -2.891 1.00 0.00 N ATOM 564 CA GLU A 34 10.247 -0.488 -4.309 1.00 0.00 C ATOM 565 C GLU A 34 9.278 0.670 -4.566 1.00 0.00 C ATOM 566 O GLU A 34 8.478 1.003 -3.690 1.00 0.00 O ATOM 567 CB GLU A 34 9.864 -1.730 -5.131 1.00 0.00 C ATOM 568 CG GLU A 34 10.575 -1.894 -6.481 1.00 0.00 C ATOM 569 CD GLU A 34 12.023 -2.367 -6.347 1.00 0.00 C ATOM 570 OE1 GLU A 34 12.929 -1.522 -6.157 1.00 0.00 O ATOM 571 OE2 GLU A 34 12.274 -3.588 -6.465 1.00 0.00 O ATOM 0 H GLU A 34 9.151 -0.877 -2.604 1.00 0.00 H new ATOM 0 HA GLU A 34 11.260 -0.203 -4.592 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.065 -2.615 -4.528 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.789 -1.704 -5.311 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.022 -2.608 -7.091 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.558 -0.942 -7.011 1.00 0.00 H new ATOM 578 N GLU A 35 9.284 1.260 -5.759 1.00 0.00 N ATOM 579 CA GLU A 35 8.387 2.360 -6.104 1.00 0.00 C ATOM 580 C GLU A 35 7.865 2.183 -7.531 1.00 0.00 C ATOM 581 O GLU A 35 8.417 1.383 -8.294 1.00 0.00 O ATOM 582 CB GLU A 35 9.137 3.690 -5.953 1.00 0.00 C ATOM 583 CG GLU A 35 9.411 4.071 -4.492 1.00 0.00 C ATOM 584 CD GLU A 35 10.102 5.426 -4.372 1.00 0.00 C ATOM 585 OE1 GLU A 35 9.626 6.423 -4.973 1.00 0.00 O ATOM 586 OE2 GLU A 35 11.099 5.520 -3.618 1.00 0.00 O ATOM 0 H GLU A 35 9.912 0.988 -6.515 1.00 0.00 H new ATOM 0 HA GLU A 35 7.530 2.362 -5.431 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.084 3.628 -6.489 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.556 4.482 -6.425 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.471 4.094 -3.941 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.033 3.305 -4.029 1.00 0.00 H new ATOM 593 N ALA A 36 6.836 2.946 -7.904 1.00 0.00 N ATOM 594 CA ALA A 36 6.308 3.032 -9.260 1.00 0.00 C ATOM 595 C ALA A 36 5.951 4.485 -9.567 1.00 0.00 C ATOM 596 O ALA A 36 5.911 5.325 -8.667 1.00 0.00 O ATOM 597 CB ALA A 36 5.071 2.137 -9.408 1.00 0.00 C ATOM 0 H ALA A 36 6.333 3.540 -7.245 1.00 0.00 H new ATOM 0 HA ALA A 36 7.064 2.688 -9.966 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.688 2.211 -10.426 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.343 1.103 -9.197 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.302 2.460 -8.706 1.00 0.00 H new ATOM 603 N GLU A 37 5.660 4.781 -10.827 1.00 0.00 N ATOM 604 CA GLU A 37 5.256 6.105 -11.268 1.00 0.00 C ATOM 605 C GLU A 37 3.858 6.430 -10.721 1.00 0.00 C ATOM 606 O GLU A 37 3.646 7.549 -10.254 1.00 0.00 O ATOM 607 CB GLU A 37 5.298 6.180 -12.806 1.00 0.00 C ATOM 608 CG GLU A 37 6.682 5.849 -13.414 1.00 0.00 C ATOM 609 CD GLU A 37 7.411 7.062 -14.002 1.00 0.00 C ATOM 610 OE1 GLU A 37 6.964 7.618 -15.034 1.00 0.00 O ATOM 611 OE2 GLU A 37 8.464 7.478 -13.469 1.00 0.00 O ATOM 0 H GLU A 37 5.699 4.096 -11.581 1.00 0.00 H new ATOM 0 HA GLU A 37 5.949 6.851 -10.880 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.559 5.490 -13.214 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.005 7.182 -13.119 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.308 5.400 -12.643 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.554 5.101 -14.196 1.00 0.00 H new ATOM 618 N ASP A 38 2.928 5.467 -10.716 1.00 0.00 N ATOM 619 CA ASP A 38 1.512 5.587 -10.316 1.00 0.00 C ATOM 620 C ASP A 38 0.854 4.208 -10.443 1.00 0.00 C ATOM 621 O ASP A 38 1.539 3.262 -10.824 1.00 0.00 O ATOM 622 CB ASP A 38 0.725 6.627 -11.139 1.00 0.00 C ATOM 623 CG ASP A 38 0.412 6.205 -12.570 1.00 0.00 C ATOM 624 OD1 ASP A 38 -0.541 5.415 -12.763 1.00 0.00 O ATOM 625 OD2 ASP A 38 1.061 6.755 -13.485 1.00 0.00 O ATOM 0 H ASP A 38 3.156 4.517 -11.010 1.00 0.00 H new ATOM 0 HA ASP A 38 1.489 5.943 -9.286 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.212 6.843 -10.625 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.295 7.556 -11.165 1.00 0.00 H new ATOM 630 N GLY A 39 -0.434 4.066 -10.113 1.00 0.00 N ATOM 631 CA GLY A 39 -1.201 2.822 -10.171 1.00 0.00 C ATOM 632 C GLY A 39 -1.024 1.997 -11.455 1.00 0.00 C ATOM 633 O GLY A 39 -0.898 0.774 -11.372 1.00 0.00 O ATOM 0 H GLY A 39 -0.994 4.852 -9.783 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.920 2.202 -9.320 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.258 3.061 -10.056 1.00 0.00 H new ATOM 637 N VAL A 40 -0.994 2.626 -12.634 1.00 0.00 N ATOM 638 CA VAL A 40 -0.811 1.910 -13.897 1.00 0.00 C ATOM 639 C VAL A 40 0.567 1.235 -13.883 1.00 0.00 C ATOM 640 O VAL A 40 0.687 0.043 -14.183 1.00 0.00 O ATOM 641 CB VAL A 40 -0.988 2.868 -15.100 1.00 0.00 C ATOM 642 CG1 VAL A 40 -0.862 2.122 -16.439 1.00 0.00 C ATOM 643 CG2 VAL A 40 -2.359 3.566 -15.092 1.00 0.00 C ATOM 0 H VAL A 40 -1.095 3.636 -12.738 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.572 1.138 -14.007 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.196 3.610 -14.999 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.992 2.826 -17.261 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.124 1.661 -16.508 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.628 1.349 -16.499 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.436 4.227 -15.955 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.149 2.817 -15.138 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.465 4.149 -14.177 1.00 0.00 H new ATOM 653 N ASP A 41 1.606 1.979 -13.494 1.00 0.00 N ATOM 654 CA ASP A 41 2.949 1.432 -13.356 1.00 0.00 C ATOM 655 C ASP A 41 3.016 0.441 -12.193 1.00 0.00 C ATOM 656 O ASP A 41 3.734 -0.545 -12.277 1.00 0.00 O ATOM 657 CB ASP A 41 3.988 2.542 -13.186 1.00 0.00 C ATOM 658 CG ASP A 41 5.425 2.000 -13.168 1.00 0.00 C ATOM 659 OD1 ASP A 41 5.760 1.033 -13.888 1.00 0.00 O ATOM 660 OD2 ASP A 41 6.266 2.597 -12.459 1.00 0.00 O ATOM 0 H ASP A 41 1.536 2.971 -13.268 1.00 0.00 H new ATOM 0 HA ASP A 41 3.185 0.896 -14.275 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.884 3.261 -13.998 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.793 3.079 -12.258 1.00 0.00 H new ATOM 665 N ALA A 42 2.240 0.633 -11.122 1.00 0.00 N ATOM 666 CA ALA A 42 2.192 -0.284 -10.002 1.00 0.00 C ATOM 667 C ALA A 42 1.760 -1.669 -10.477 1.00 0.00 C ATOM 668 O ALA A 42 2.384 -2.647 -10.076 1.00 0.00 O ATOM 669 CB ALA A 42 1.264 0.249 -8.908 1.00 0.00 C ATOM 0 H ALA A 42 1.625 1.440 -11.017 1.00 0.00 H new ATOM 0 HA ALA A 42 3.190 -0.370 -9.571 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.242 -0.454 -8.075 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.631 1.214 -8.558 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.258 0.367 -9.310 1.00 0.00 H new ATOM 675 N LEU A 43 0.750 -1.763 -11.352 1.00 0.00 N ATOM 676 CA LEU A 43 0.364 -3.034 -11.962 1.00 0.00 C ATOM 677 C LEU A 43 1.509 -3.621 -12.775 1.00 0.00 C ATOM 678 O LEU A 43 1.796 -4.808 -12.647 1.00 0.00 O ATOM 679 CB LEU A 43 -0.866 -2.876 -12.876 1.00 0.00 C ATOM 680 CG LEU A 43 -2.107 -3.646 -12.425 1.00 0.00 C ATOM 681 CD1 LEU A 43 -1.896 -5.139 -12.195 1.00 0.00 C ATOM 682 CD2 LEU A 43 -2.672 -3.053 -11.146 1.00 0.00 C ATOM 0 H LEU A 43 0.186 -0.968 -11.652 1.00 0.00 H new ATOM 0 HA LEU A 43 0.113 -3.709 -11.144 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.117 -1.817 -12.942 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.598 -3.204 -13.881 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.799 -3.545 -13.261 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.834 -5.594 -11.878 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.561 -5.606 -13.121 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.142 -5.285 -11.421 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.555 -3.616 -10.843 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.920 -3.104 -10.358 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.947 -2.012 -11.318 1.00 0.00 H new ATOM 694 N ASN A 44 2.143 -2.801 -13.617 1.00 0.00 N ATOM 695 CA ASN A 44 3.277 -3.202 -14.447 1.00 0.00 C ATOM 696 C ASN A 44 4.417 -3.779 -13.599 1.00 0.00 C ATOM 697 O ASN A 44 4.989 -4.805 -13.962 1.00 0.00 O ATOM 698 CB ASN A 44 3.743 -2.008 -15.294 1.00 0.00 C ATOM 699 CG ASN A 44 5.170 -2.189 -15.782 1.00 0.00 C ATOM 700 OD1 ASN A 44 5.447 -3.083 -16.577 1.00 0.00 O ATOM 701 ND2 ASN A 44 6.100 -1.388 -15.298 1.00 0.00 N ATOM 0 H ASN A 44 1.877 -1.824 -13.742 1.00 0.00 H new ATOM 0 HA ASN A 44 2.958 -3.999 -15.119 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.078 -1.887 -16.149 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.673 -1.094 -14.704 1.00 0.00 H new ATOM 0 HD21 ASN A 44 7.072 -1.505 -15.583 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.847 -0.652 -14.639 1.00 0.00 H new ATOM 708 N LYS A 45 4.737 -3.149 -12.467 1.00 0.00 N ATOM 709 CA LYS A 45 5.709 -3.655 -11.504 1.00 0.00 C ATOM 710 C LYS A 45 5.180 -4.978 -10.946 1.00 0.00 C ATOM 711 O LYS A 45 5.894 -5.978 -10.983 1.00 0.00 O ATOM 712 CB LYS A 45 5.966 -2.617 -10.390 1.00 0.00 C ATOM 713 CG LYS A 45 6.449 -1.238 -10.884 1.00 0.00 C ATOM 714 CD LYS A 45 7.963 -1.013 -10.915 1.00 0.00 C ATOM 715 CE LYS A 45 8.188 0.360 -11.565 1.00 0.00 C ATOM 716 NZ LYS A 45 9.606 0.689 -11.828 1.00 0.00 N ATOM 0 H LYS A 45 4.320 -2.260 -12.192 1.00 0.00 H new ATOM 0 HA LYS A 45 6.670 -3.831 -11.988 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.046 -2.481 -9.821 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.709 -3.021 -9.702 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.061 -1.081 -11.890 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.004 -0.473 -10.248 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.379 -1.038 -9.908 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.460 -1.798 -11.485 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.639 0.397 -12.506 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.764 1.128 -10.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.669 1.630 -12.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.134 0.688 -10.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.013 -0.020 -12.471 1.00 0.00 H new ATOM 730 N LEU A 46 3.942 -4.995 -10.440 1.00 0.00 N ATOM 731 CA LEU A 46 3.350 -6.128 -9.737 1.00 0.00 C ATOM 732 C LEU A 46 3.387 -7.404 -10.555 1.00 0.00 C ATOM 733 O LEU A 46 3.875 -8.423 -10.075 1.00 0.00 O ATOM 734 CB LEU A 46 1.891 -5.838 -9.312 1.00 0.00 C ATOM 735 CG LEU A 46 1.718 -5.672 -7.800 1.00 0.00 C ATOM 736 CD1 LEU A 46 2.092 -6.969 -7.076 1.00 0.00 C ATOM 737 CD2 LEU A 46 2.505 -4.462 -7.288 1.00 0.00 C ATOM 0 H LEU A 46 3.311 -4.197 -10.513 1.00 0.00 H new ATOM 0 HA LEU A 46 3.962 -6.274 -8.847 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.549 -4.931 -9.811 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.252 -6.651 -9.656 1.00 0.00 H new ATOM 0 HG LEU A 46 0.669 -5.473 -7.582 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.964 -6.836 -6.002 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.447 -7.777 -7.421 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.131 -7.218 -7.289 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.365 -4.366 -6.211 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.564 -4.598 -7.506 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.146 -3.559 -7.782 1.00 0.00 H new ATOM 749 N GLN A 47 2.875 -7.347 -11.783 1.00 0.00 N ATOM 750 CA GLN A 47 2.788 -8.497 -12.671 1.00 0.00 C ATOM 751 C GLN A 47 4.174 -9.005 -13.104 1.00 0.00 C ATOM 752 O GLN A 47 4.261 -10.001 -13.825 1.00 0.00 O ATOM 753 CB GLN A 47 1.846 -8.154 -13.840 1.00 0.00 C ATOM 754 CG GLN A 47 2.421 -7.146 -14.856 1.00 0.00 C ATOM 755 CD GLN A 47 1.355 -6.516 -15.761 1.00 0.00 C ATOM 756 OE1 GLN A 47 0.150 -6.646 -15.557 1.00 0.00 O ATOM 757 NE2 GLN A 47 1.760 -5.799 -16.796 1.00 0.00 N ATOM 0 H GLN A 47 2.505 -6.489 -12.191 1.00 0.00 H new ATOM 0 HA GLN A 47 2.355 -9.343 -12.137 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.592 -9.074 -14.366 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.918 -7.751 -13.435 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.942 -6.355 -14.316 1.00 0.00 H new ATOM 0 HG3 GLN A 47 3.162 -7.650 -15.477 1.00 0.00 H new ATOM 0 HE21 GLN A 47 2.757 -5.683 -16.977 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.075 -5.362 -17.413 1.00 0.00 H new ATOM 766 N ALA A 48 5.256 -8.352 -12.673 1.00 0.00 N ATOM 767 CA ALA A 48 6.638 -8.699 -12.912 1.00 0.00 C ATOM 768 C ALA A 48 7.415 -8.849 -11.594 1.00 0.00 C ATOM 769 O ALA A 48 8.632 -8.649 -11.598 1.00 0.00 O ATOM 770 CB ALA A 48 7.240 -7.624 -13.822 1.00 0.00 C ATOM 0 H ALA A 48 5.171 -7.507 -12.108 1.00 0.00 H new ATOM 0 HA ALA A 48 6.705 -9.669 -13.404 1.00 0.00 H new ATOM 0 HB1 ALA A 48 8.286 -7.859 -14.021 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.690 -7.594 -14.762 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.174 -6.653 -13.331 1.00 0.00 H new ATOM 776 N GLY A 49 6.788 -9.165 -10.453 1.00 0.00 N ATOM 777 CA GLY A 49 7.546 -9.537 -9.259 1.00 0.00 C ATOM 778 C GLY A 49 6.715 -10.235 -8.189 1.00 0.00 C ATOM 779 O GLY A 49 5.484 -10.243 -8.224 1.00 0.00 O ATOM 0 H GLY A 49 5.775 -9.170 -10.335 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.367 -10.192 -9.552 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.992 -8.640 -8.830 1.00 0.00 H new ATOM 783 N GLY A 50 7.397 -10.804 -7.194 1.00 0.00 N ATOM 784 CA GLY A 50 6.797 -11.538 -6.090 1.00 0.00 C ATOM 785 C GLY A 50 6.645 -10.636 -4.876 1.00 0.00 C ATOM 786 O GLY A 50 7.156 -10.961 -3.801 1.00 0.00 O ATOM 0 H GLY A 50 8.415 -10.763 -7.137 1.00 0.00 H new ATOM 0 HA2 GLY A 50 5.822 -11.924 -6.389 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.417 -12.398 -5.837 1.00 0.00 H new ATOM 790 N TYR A 51 5.996 -9.485 -5.061 1.00 0.00 N ATOM 791 CA TYR A 51 5.808 -8.470 -4.032 1.00 0.00 C ATOM 792 C TYR A 51 4.995 -9.041 -2.874 1.00 0.00 C ATOM 793 O TYR A 51 4.037 -9.787 -3.089 1.00 0.00 O ATOM 794 CB TYR A 51 5.098 -7.243 -4.620 1.00 0.00 C ATOM 795 CG TYR A 51 5.937 -6.491 -5.635 1.00 0.00 C ATOM 796 CD1 TYR A 51 6.008 -6.936 -6.969 1.00 0.00 C ATOM 797 CD2 TYR A 51 6.698 -5.379 -5.229 1.00 0.00 C ATOM 798 CE1 TYR A 51 6.861 -6.296 -7.879 1.00 0.00 C ATOM 799 CE2 TYR A 51 7.543 -4.726 -6.143 1.00 0.00 C ATOM 800 CZ TYR A 51 7.627 -5.184 -7.475 1.00 0.00 C ATOM 801 OH TYR A 51 8.471 -4.579 -8.353 1.00 0.00 O ATOM 0 H TYR A 51 5.577 -9.230 -5.955 1.00 0.00 H new ATOM 0 HA TYR A 51 6.786 -8.164 -3.659 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.169 -7.562 -5.092 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.828 -6.566 -3.810 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.404 -7.772 -7.292 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.632 -5.026 -4.211 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.932 -6.657 -8.895 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.127 -3.875 -5.826 1.00 0.00 H new ATOM 0 HH TYR A 51 8.120 -4.675 -9.263 1.00 0.00 H new ATOM 811 N GLY A 52 5.344 -8.649 -1.649 1.00 0.00 N ATOM 812 CA GLY A 52 4.589 -9.003 -0.457 1.00 0.00 C ATOM 813 C GLY A 52 3.581 -7.926 -0.090 1.00 0.00 C ATOM 814 O GLY A 52 2.538 -8.242 0.488 1.00 0.00 O ATOM 0 H GLY A 52 6.164 -8.073 -1.459 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.069 -9.947 -0.622 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.275 -9.158 0.376 1.00 0.00 H new ATOM 818 N PHE A 53 3.879 -6.666 -0.414 1.00 0.00 N ATOM 819 CA PHE A 53 3.037 -5.522 -0.116 1.00 0.00 C ATOM 820 C PHE A 53 3.011 -4.591 -1.310 1.00 0.00 C ATOM 821 O PHE A 53 3.992 -4.475 -2.047 1.00 0.00 O ATOM 822 CB PHE A 53 3.563 -4.770 1.110 1.00 0.00 C ATOM 823 CG PHE A 53 2.883 -5.158 2.401 1.00 0.00 C ATOM 824 CD1 PHE A 53 3.230 -6.360 3.041 1.00 0.00 C ATOM 825 CD2 PHE A 53 1.932 -4.300 2.983 1.00 0.00 C ATOM 826 CE1 PHE A 53 2.629 -6.709 4.260 1.00 0.00 C ATOM 827 CE2 PHE A 53 1.346 -4.638 4.212 1.00 0.00 C ATOM 828 CZ PHE A 53 1.689 -5.848 4.846 1.00 0.00 C ATOM 0 H PHE A 53 4.737 -6.414 -0.904 1.00 0.00 H new ATOM 0 HA PHE A 53 2.029 -5.875 0.099 1.00 0.00 H new ATOM 0 HB2 PHE A 53 4.633 -4.953 1.205 1.00 0.00 H new ATOM 0 HB3 PHE A 53 3.435 -3.699 0.950 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.961 -7.017 2.593 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.654 -3.383 2.485 1.00 0.00 H new ATOM 0 HE1 PHE A 53 2.889 -7.638 4.746 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.632 -3.971 4.672 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.227 -6.114 5.785 1.00 0.00 H new ATOM 838 N VAL A 54 1.875 -3.917 -1.451 1.00 0.00 N ATOM 839 CA VAL A 54 1.540 -2.982 -2.507 1.00 0.00 C ATOM 840 C VAL A 54 0.865 -1.844 -1.747 1.00 0.00 C ATOM 841 O VAL A 54 -0.185 -2.048 -1.142 1.00 0.00 O ATOM 842 CB VAL A 54 0.650 -3.704 -3.551 1.00 0.00 C ATOM 843 CG1 VAL A 54 0.385 -2.950 -4.866 1.00 0.00 C ATOM 844 CG2 VAL A 54 1.298 -5.037 -3.940 1.00 0.00 C ATOM 0 H VAL A 54 1.113 -4.020 -0.780 1.00 0.00 H new ATOM 0 HA VAL A 54 2.373 -2.595 -3.094 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.310 -3.804 -3.045 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.249 -3.557 -5.512 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.116 -2.006 -4.650 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.332 -2.751 -5.369 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.673 -5.545 -4.674 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.283 -4.851 -4.369 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.400 -5.664 -3.054 1.00 0.00 H new ATOM 854 N ILE A 55 1.525 -0.704 -1.623 1.00 0.00 N ATOM 855 CA ILE A 55 1.086 0.411 -0.801 1.00 0.00 C ATOM 856 C ILE A 55 0.971 1.569 -1.787 1.00 0.00 C ATOM 857 O ILE A 55 1.833 1.719 -2.658 1.00 0.00 O ATOM 858 CB ILE A 55 2.115 0.630 0.332 1.00 0.00 C ATOM 859 CG1 ILE A 55 1.919 -0.429 1.443 1.00 0.00 C ATOM 860 CG2 ILE A 55 1.923 2.021 0.949 1.00 0.00 C ATOM 861 CD1 ILE A 55 3.143 -0.615 2.342 1.00 0.00 C ATOM 0 H ILE A 55 2.406 -0.524 -2.105 1.00 0.00 H new ATOM 0 HA ILE A 55 0.134 0.268 -0.290 1.00 0.00 H new ATOM 0 HB ILE A 55 3.116 0.542 -0.091 1.00 0.00 H new ATOM 0 HG12 ILE A 55 1.067 -0.142 2.060 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.670 -1.385 0.981 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.651 2.169 1.747 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.066 2.782 0.182 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.916 2.102 1.358 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.929 -1.373 3.096 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.993 -0.933 1.738 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.380 0.329 2.833 1.00 0.00 H new ATOM 873 N SER A 56 -0.097 2.352 -1.698 1.00 0.00 N ATOM 874 CA SER A 56 -0.536 3.187 -2.804 1.00 0.00 C ATOM 875 C SER A 56 -1.194 4.459 -2.296 1.00 0.00 C ATOM 876 O SER A 56 -1.747 4.467 -1.194 1.00 0.00 O ATOM 877 CB SER A 56 -1.501 2.376 -3.686 1.00 0.00 C ATOM 878 OG SER A 56 -2.189 1.352 -2.969 1.00 0.00 O ATOM 0 H SER A 56 -0.678 2.425 -0.863 1.00 0.00 H new ATOM 0 HA SER A 56 0.327 3.488 -3.398 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.231 3.052 -4.132 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.942 1.924 -4.506 1.00 0.00 H new ATOM 0 HG SER A 56 -2.993 1.090 -3.464 1.00 0.00 H new ATOM 884 N ASP A 57 -1.146 5.513 -3.106 1.00 0.00 N ATOM 885 CA ASP A 57 -2.000 6.678 -2.961 1.00 0.00 C ATOM 886 C ASP A 57 -3.468 6.319 -3.190 1.00 0.00 C ATOM 887 O ASP A 57 -3.813 5.200 -3.574 1.00 0.00 O ATOM 888 CB ASP A 57 -1.529 7.849 -3.845 1.00 0.00 C ATOM 889 CG ASP A 57 -1.446 7.637 -5.364 1.00 0.00 C ATOM 890 OD1 ASP A 57 -1.797 6.559 -5.890 1.00 0.00 O ATOM 891 OD2 ASP A 57 -1.029 8.599 -6.054 1.00 0.00 O ATOM 0 H ASP A 57 -0.500 5.578 -3.893 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.917 7.025 -1.931 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.198 8.690 -3.664 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.540 8.149 -3.498 1.00 0.00 H new ATOM 896 N TRP A 58 -4.352 7.277 -2.893 1.00 0.00 N ATOM 897 CA TRP A 58 -5.700 7.264 -3.435 1.00 0.00 C ATOM 898 C TRP A 58 -5.602 7.894 -4.822 1.00 0.00 C ATOM 899 O TRP A 58 -5.538 7.180 -5.821 1.00 0.00 O ATOM 900 CB TRP A 58 -6.693 7.982 -2.510 1.00 0.00 C ATOM 901 CG TRP A 58 -8.080 7.944 -3.059 1.00 0.00 C ATOM 902 CD1 TRP A 58 -8.600 8.813 -3.956 1.00 0.00 C ATOM 903 CD2 TRP A 58 -9.070 6.887 -2.907 1.00 0.00 C ATOM 904 NE1 TRP A 58 -9.805 8.328 -4.418 1.00 0.00 N ATOM 905 CE2 TRP A 58 -10.146 7.145 -3.803 1.00 0.00 C ATOM 906 CE3 TRP A 58 -9.135 5.702 -2.145 1.00 0.00 C ATOM 907 CZ2 TRP A 58 -11.234 6.271 -3.936 1.00 0.00 C ATOM 908 CZ3 TRP A 58 -10.247 4.847 -2.231 1.00 0.00 C ATOM 909 CH2 TRP A 58 -11.297 5.135 -3.119 1.00 0.00 C ATOM 0 H TRP A 58 -4.151 8.067 -2.280 1.00 0.00 H new ATOM 0 HA TRP A 58 -6.093 6.250 -3.511 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -6.678 7.514 -1.526 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -6.382 9.018 -2.376 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -8.142 9.742 -4.262 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -10.374 8.789 -5.128 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -8.318 5.448 -1.486 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -12.012 6.471 -4.658 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -10.295 3.964 -1.611 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -12.154 4.480 -3.172 1.00 0.00 H new ATOM 920 N ASN A 59 -5.484 9.231 -4.858 1.00 0.00 N ATOM 921 CA ASN A 59 -5.312 10.024 -6.071 1.00 0.00 C ATOM 922 C ASN A 59 -6.444 9.755 -7.068 1.00 0.00 C ATOM 923 O ASN A 59 -7.460 9.174 -6.704 1.00 0.00 O ATOM 924 CB ASN A 59 -3.898 9.746 -6.605 1.00 0.00 C ATOM 925 CG ASN A 59 -3.265 10.871 -7.402 1.00 0.00 C ATOM 926 OD1 ASN A 59 -3.941 11.694 -8.011 1.00 0.00 O ATOM 927 ND2 ASN A 59 -1.949 10.920 -7.384 1.00 0.00 N ATOM 0 H ASN A 59 -5.507 9.802 -4.013 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.387 11.093 -5.873 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -3.249 9.514 -5.760 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.935 8.856 -7.233 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.459 11.660 -7.887 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.420 10.218 -6.867 1.00 0.00 H new ATOM 934 N MET A 60 -6.338 10.247 -8.298 1.00 0.00 N ATOM 935 CA MET A 60 -7.067 9.725 -9.448 1.00 0.00 C ATOM 936 C MET A 60 -6.350 10.262 -10.688 1.00 0.00 C ATOM 937 O MET A 60 -6.803 11.254 -11.272 1.00 0.00 O ATOM 938 CB MET A 60 -8.577 10.030 -9.394 1.00 0.00 C ATOM 939 CG MET A 60 -9.356 9.378 -10.541 1.00 0.00 C ATOM 940 SD MET A 60 -11.127 9.212 -10.187 1.00 0.00 S ATOM 941 CE MET A 60 -11.621 10.949 -10.268 1.00 0.00 C ATOM 0 H MET A 60 -5.732 11.034 -8.528 1.00 0.00 H new ATOM 0 HA MET A 60 -7.054 8.635 -9.464 1.00 0.00 H new ATOM 0 HB2 MET A 60 -8.980 9.681 -8.443 1.00 0.00 H new ATOM 0 HB3 MET A 60 -8.726 11.109 -9.427 1.00 0.00 H new ATOM 0 HG2 MET A 60 -9.226 9.972 -11.446 1.00 0.00 H new ATOM 0 HG3 MET A 60 -8.937 8.392 -10.744 1.00 0.00 H new ATOM 0 HE1 MET A 60 -12.690 11.033 -10.073 1.00 0.00 H new ATOM 0 HE2 MET A 60 -11.070 11.519 -9.520 1.00 0.00 H new ATOM 0 HE3 MET A 60 -11.401 11.344 -11.260 1.00 0.00 H new ATOM 951 N PRO A 61 -5.180 9.692 -11.035 1.00 0.00 N ATOM 952 CA PRO A 61 -4.453 10.044 -12.242 1.00 0.00 C ATOM 953 C PRO A 61 -5.160 9.381 -13.429 1.00 0.00 C ATOM 954 O PRO A 61 -5.836 10.054 -14.205 1.00 0.00 O ATOM 955 CB PRO A 61 -3.008 9.558 -12.027 1.00 0.00 C ATOM 956 CG PRO A 61 -2.995 8.909 -10.640 1.00 0.00 C ATOM 957 CD PRO A 61 -4.463 8.627 -10.347 1.00 0.00 C ATOM 0 HA PRO A 61 -4.428 11.113 -12.454 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.716 8.844 -12.797 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.303 10.388 -12.078 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.404 7.993 -10.634 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -2.560 9.573 -9.893 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -4.760 7.645 -10.715 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -4.664 8.640 -9.276 1.00 0.00 H new ATOM 965 N ASN A 62 -5.055 8.055 -13.545 1.00 0.00 N ATOM 966 CA ASN A 62 -5.652 7.257 -14.600 1.00 0.00 C ATOM 967 C ASN A 62 -6.359 6.075 -13.945 1.00 0.00 C ATOM 968 O ASN A 62 -7.588 6.021 -13.910 1.00 0.00 O ATOM 969 CB ASN A 62 -4.559 6.831 -15.592 1.00 0.00 C ATOM 970 CG ASN A 62 -5.145 6.408 -16.926 1.00 0.00 C ATOM 971 OD1 ASN A 62 -6.028 5.557 -17.014 1.00 0.00 O ATOM 972 ND2 ASN A 62 -4.639 6.963 -18.008 1.00 0.00 N ATOM 0 H ASN A 62 -4.529 7.493 -12.876 1.00 0.00 H new ATOM 0 HA ASN A 62 -6.390 7.820 -15.172 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.865 7.657 -15.745 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.985 6.007 -15.169 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.979 6.688 -18.929 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -3.907 7.668 -17.925 1.00 0.00 H new ATOM 979 N MET A 63 -5.572 5.173 -13.365 1.00 0.00 N ATOM 980 CA MET A 63 -5.950 4.177 -12.377 1.00 0.00 C ATOM 981 C MET A 63 -5.746 4.799 -10.989 1.00 0.00 C ATOM 982 O MET A 63 -4.598 4.983 -10.571 1.00 0.00 O ATOM 983 CB MET A 63 -5.065 2.942 -12.616 1.00 0.00 C ATOM 984 CG MET A 63 -5.377 1.772 -11.685 1.00 0.00 C ATOM 985 SD MET A 63 -4.409 0.279 -12.023 1.00 0.00 S ATOM 986 CE MET A 63 -5.178 -0.287 -13.563 1.00 0.00 C ATOM 0 H MET A 63 -4.579 5.119 -13.593 1.00 0.00 H new ATOM 0 HA MET A 63 -6.992 3.867 -12.451 1.00 0.00 H new ATOM 0 HB2 MET A 63 -5.185 2.615 -13.649 1.00 0.00 H new ATOM 0 HB3 MET A 63 -4.020 3.225 -12.491 1.00 0.00 H new ATOM 0 HG2 MET A 63 -5.198 2.083 -10.656 1.00 0.00 H new ATOM 0 HG3 MET A 63 -6.437 1.531 -11.765 1.00 0.00 H new ATOM 0 HE1 MET A 63 -4.802 -1.279 -13.814 1.00 0.00 H new ATOM 0 HE2 MET A 63 -6.260 -0.330 -13.435 1.00 0.00 H new ATOM 0 HE3 MET A 63 -4.935 0.407 -14.367 1.00 0.00 H new ATOM 996 N ASP A 64 -6.822 5.192 -10.302 1.00 0.00 N ATOM 997 CA ASP A 64 -6.748 5.556 -8.883 1.00 0.00 C ATOM 998 C ASP A 64 -6.408 4.329 -8.024 1.00 0.00 C ATOM 999 O ASP A 64 -6.378 3.195 -8.509 1.00 0.00 O ATOM 1000 CB ASP A 64 -8.013 6.299 -8.395 1.00 0.00 C ATOM 1001 CG ASP A 64 -9.252 5.481 -8.028 1.00 0.00 C ATOM 1002 OD1 ASP A 64 -9.289 4.258 -8.265 1.00 0.00 O ATOM 1003 OD2 ASP A 64 -10.238 6.082 -7.535 1.00 0.00 O ATOM 0 H ASP A 64 -7.756 5.267 -10.705 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.932 6.270 -8.766 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -7.734 6.886 -7.520 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.302 7.005 -9.174 1.00 0.00 H new ATOM 1008 N GLY A 65 -6.137 4.549 -6.738 1.00 0.00 N ATOM 1009 CA GLY A 65 -5.784 3.490 -5.801 1.00 0.00 C ATOM 1010 C GLY A 65 -6.889 2.441 -5.665 1.00 0.00 C ATOM 1011 O GLY A 65 -6.597 1.269 -5.422 1.00 0.00 O ATOM 0 H GLY A 65 -6.157 5.477 -6.316 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -4.866 3.006 -6.133 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -5.579 3.927 -4.824 1.00 0.00 H new ATOM 1015 N LEU A 66 -8.153 2.834 -5.848 1.00 0.00 N ATOM 1016 CA LEU A 66 -9.288 1.924 -5.778 1.00 0.00 C ATOM 1017 C LEU A 66 -9.274 0.990 -6.979 1.00 0.00 C ATOM 1018 O LEU A 66 -9.529 -0.198 -6.820 1.00 0.00 O ATOM 1019 CB LEU A 66 -10.603 2.727 -5.704 1.00 0.00 C ATOM 1020 CG LEU A 66 -11.707 2.115 -4.832 1.00 0.00 C ATOM 1021 CD1 LEU A 66 -12.378 0.867 -5.406 1.00 0.00 C ATOM 1022 CD2 LEU A 66 -11.193 1.809 -3.422 1.00 0.00 C ATOM 0 H LEU A 66 -8.414 3.799 -6.050 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.215 1.317 -4.876 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -10.378 3.724 -5.326 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -10.990 2.849 -6.716 1.00 0.00 H new ATOM 0 HG LEU A 66 -12.477 2.886 -4.803 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -13.142 0.514 -4.714 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -12.840 1.110 -6.363 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -11.631 0.086 -5.551 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -11.998 1.376 -2.827 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -10.365 1.102 -3.482 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.850 2.731 -2.952 1.00 0.00 H new ATOM 1034 N GLU A 67 -8.959 1.497 -8.166 1.00 0.00 N ATOM 1035 CA GLU A 67 -8.854 0.729 -9.398 1.00 0.00 C ATOM 1036 C GLU A 67 -7.582 -0.120 -9.408 1.00 0.00 C ATOM 1037 O GLU A 67 -7.608 -1.228 -9.942 1.00 0.00 O ATOM 1038 CB GLU A 67 -8.882 1.678 -10.603 1.00 0.00 C ATOM 1039 CG GLU A 67 -10.231 2.385 -10.782 1.00 0.00 C ATOM 1040 CD GLU A 67 -11.274 1.533 -11.500 1.00 0.00 C ATOM 1041 OE1 GLU A 67 -11.565 0.391 -11.071 1.00 0.00 O ATOM 1042 OE2 GLU A 67 -11.868 2.026 -12.483 1.00 0.00 O ATOM 0 H GLU A 67 -8.763 2.489 -8.300 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.705 0.051 -9.460 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.099 2.427 -10.486 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.651 1.114 -11.507 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.617 2.668 -9.803 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.078 3.307 -11.343 1.00 0.00 H new ATOM 1049 N LEU A 68 -6.490 0.339 -8.785 1.00 0.00 N ATOM 1050 CA LEU A 68 -5.290 -0.467 -8.544 1.00 0.00 C ATOM 1051 C LEU A 68 -5.679 -1.691 -7.723 1.00 0.00 C ATOM 1052 O LEU A 68 -5.451 -2.832 -8.135 1.00 0.00 O ATOM 1053 CB LEU A 68 -4.215 0.371 -7.822 1.00 0.00 C ATOM 1054 CG LEU A 68 -2.986 -0.440 -7.353 1.00 0.00 C ATOM 1055 CD1 LEU A 68 -2.228 -1.011 -8.539 1.00 0.00 C ATOM 1056 CD2 LEU A 68 -2.051 0.445 -6.535 1.00 0.00 C ATOM 0 H LEU A 68 -6.415 1.292 -8.430 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.865 -0.794 -9.493 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.879 1.164 -8.491 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.668 0.855 -6.957 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.344 -1.263 -6.734 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.368 -1.577 -8.182 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.885 -1.669 -9.108 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.887 -0.197 -9.179 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.189 -0.138 -6.211 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.714 1.281 -7.147 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.581 0.825 -5.662 1.00 0.00 H new ATOM 1068 N LEU A 69 -6.302 -1.441 -6.570 1.00 0.00 N ATOM 1069 CA LEU A 69 -6.849 -2.461 -5.696 1.00 0.00 C ATOM 1070 C LEU A 69 -7.784 -3.362 -6.490 1.00 0.00 C ATOM 1071 O LEU A 69 -7.553 -4.561 -6.529 1.00 0.00 O ATOM 1072 CB LEU A 69 -7.505 -1.779 -4.482 1.00 0.00 C ATOM 1073 CG LEU A 69 -8.643 -2.503 -3.741 1.00 0.00 C ATOM 1074 CD1 LEU A 69 -8.419 -3.949 -3.287 1.00 0.00 C ATOM 1075 CD2 LEU A 69 -8.946 -1.701 -2.471 1.00 0.00 C ATOM 0 H LEU A 69 -6.440 -0.495 -6.215 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.069 -3.113 -5.302 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.718 -1.574 -3.756 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.891 -0.815 -4.815 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.438 -2.561 -4.485 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.313 -4.314 -2.782 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.211 -4.575 -4.155 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.573 -3.988 -2.601 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.751 -2.186 -1.918 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.053 -1.656 -1.848 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.250 -0.690 -2.743 1.00 0.00 H new ATOM 1087 N LYS A 70 -8.821 -2.838 -7.137 1.00 0.00 N ATOM 1088 CA LYS A 70 -9.836 -3.653 -7.794 1.00 0.00 C ATOM 1089 C LYS A 70 -9.334 -4.377 -9.039 1.00 0.00 C ATOM 1090 O LYS A 70 -9.930 -5.394 -9.406 1.00 0.00 O ATOM 1091 CB LYS A 70 -11.070 -2.797 -8.096 1.00 0.00 C ATOM 1092 CG LYS A 70 -11.927 -2.653 -6.827 1.00 0.00 C ATOM 1093 CD LYS A 70 -13.308 -2.092 -7.188 1.00 0.00 C ATOM 1094 CE LYS A 70 -14.315 -2.207 -6.040 1.00 0.00 C ATOM 1095 NZ LYS A 70 -15.695 -1.966 -6.503 1.00 0.00 N ATOM 0 H LYS A 70 -8.981 -1.834 -7.220 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.107 -4.447 -7.099 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.763 -1.814 -8.452 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.656 -3.256 -8.892 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.035 -3.622 -6.339 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.431 -1.992 -6.116 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.206 -1.045 -7.472 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.694 -2.623 -8.058 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.248 -3.199 -5.594 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.062 -1.489 -5.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.350 -2.052 -5.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.764 -1.010 -6.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.945 -2.667 -7.230 1.00 0.00 H new ATOM 1109 N THR A 71 -8.254 -3.924 -9.667 1.00 0.00 N ATOM 1110 CA THR A 71 -7.499 -4.716 -10.625 1.00 0.00 C ATOM 1111 C THR A 71 -6.966 -5.941 -9.887 1.00 0.00 C ATOM 1112 O THR A 71 -7.393 -7.064 -10.153 1.00 0.00 O ATOM 1113 CB THR A 71 -6.406 -3.842 -11.254 1.00 0.00 C ATOM 1114 OG1 THR A 71 -7.020 -2.826 -12.020 1.00 0.00 O ATOM 1115 CG2 THR A 71 -5.432 -4.628 -12.132 1.00 0.00 C ATOM 0 H THR A 71 -7.877 -2.988 -9.522 1.00 0.00 H new ATOM 0 HA THR A 71 -8.113 -5.069 -11.454 1.00 0.00 H new ATOM 0 HB THR A 71 -5.818 -3.421 -10.439 1.00 0.00 H new ATOM 0 HG1 THR A 71 -7.437 -2.172 -11.421 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.686 -3.949 -12.545 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.936 -5.391 -11.532 1.00 0.00 H new ATOM 0 HG23 THR A 71 -5.979 -5.104 -12.946 1.00 0.00 H new ATOM 1123 N ILE A 72 -6.084 -5.713 -8.914 1.00 0.00 N ATOM 1124 CA ILE A 72 -5.377 -6.745 -8.173 1.00 0.00 C ATOM 1125 C ILE A 72 -6.379 -7.722 -7.508 1.00 0.00 C ATOM 1126 O ILE A 72 -6.147 -8.927 -7.488 1.00 0.00 O ATOM 1127 CB ILE A 72 -4.393 -5.998 -7.227 1.00 0.00 C ATOM 1128 CG1 ILE A 72 -3.152 -5.551 -8.053 1.00 0.00 C ATOM 1129 CG2 ILE A 72 -3.983 -6.863 -6.033 1.00 0.00 C ATOM 1130 CD1 ILE A 72 -2.180 -4.575 -7.360 1.00 0.00 C ATOM 0 H ILE A 72 -5.837 -4.770 -8.613 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.782 -7.410 -8.800 1.00 0.00 H new ATOM 0 HB ILE A 72 -4.893 -5.122 -6.813 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.594 -6.442 -8.340 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.504 -5.086 -8.974 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.296 -6.304 -5.398 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.869 -7.134 -5.459 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.492 -7.768 -6.391 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.358 -4.339 -8.036 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.709 -3.659 -7.099 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.785 -5.036 -6.455 1.00 0.00 H new ATOM 1142 N ARG A 73 -7.525 -7.234 -7.021 1.00 0.00 N ATOM 1143 CA ARG A 73 -8.561 -7.989 -6.314 1.00 0.00 C ATOM 1144 C ARG A 73 -9.348 -8.931 -7.215 1.00 0.00 C ATOM 1145 O ARG A 73 -9.958 -9.857 -6.687 1.00 0.00 O ATOM 1146 CB ARG A 73 -9.518 -6.993 -5.636 1.00 0.00 C ATOM 1147 CG ARG A 73 -10.340 -7.546 -4.463 1.00 0.00 C ATOM 1148 CD ARG A 73 -11.708 -8.166 -4.808 1.00 0.00 C ATOM 1149 NE ARG A 73 -12.752 -7.772 -3.836 1.00 0.00 N ATOM 1150 CZ ARG A 73 -12.767 -8.010 -2.518 1.00 0.00 C ATOM 1151 NH1 ARG A 73 -11.902 -8.862 -1.981 1.00 0.00 N ATOM 1152 NH2 ARG A 73 -13.652 -7.391 -1.738 1.00 0.00 N ATOM 0 H ARG A 73 -7.766 -6.247 -7.116 1.00 0.00 H new ATOM 0 HA ARG A 73 -8.061 -8.620 -5.579 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -8.935 -6.145 -5.278 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -10.207 -6.611 -6.389 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -9.742 -8.303 -3.955 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -10.503 -6.737 -3.751 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -12.007 -7.853 -5.809 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -11.620 -9.252 -4.826 1.00 0.00 H new ATOM 0 HE ARG A 73 -13.551 -7.261 -4.212 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -11.222 -9.339 -2.573 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -11.918 -9.040 -0.977 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -14.319 -6.735 -2.144 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -13.663 -7.573 -0.734 1.00 0.00 H new ATOM 1166 N ALA A 74 -9.389 -8.691 -8.527 1.00 0.00 N ATOM 1167 CA ALA A 74 -10.135 -9.516 -9.472 1.00 0.00 C ATOM 1168 C ALA A 74 -9.197 -10.320 -10.371 1.00 0.00 C ATOM 1169 O ALA A 74 -9.663 -11.119 -11.190 1.00 0.00 O ATOM 1170 CB ALA A 74 -11.065 -8.638 -10.302 1.00 0.00 C ATOM 0 H ALA A 74 -8.900 -7.910 -8.965 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.734 -10.231 -8.908 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.619 -9.259 -11.006 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -11.764 -8.124 -9.643 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.477 -7.903 -10.852 1.00 0.00 H new ATOM 1176 N ASP A 75 -7.883 -10.150 -10.221 1.00 0.00 N ATOM 1177 CA ASP A 75 -6.941 -11.150 -10.685 1.00 0.00 C ATOM 1178 C ASP A 75 -7.163 -12.434 -9.873 1.00 0.00 C ATOM 1179 O ASP A 75 -7.608 -12.382 -8.722 1.00 0.00 O ATOM 1180 CB ASP A 75 -5.508 -10.645 -10.550 1.00 0.00 C ATOM 1181 CG ASP A 75 -4.577 -11.738 -11.051 1.00 0.00 C ATOM 1182 OD1 ASP A 75 -4.540 -11.942 -12.287 1.00 0.00 O ATOM 1183 OD2 ASP A 75 -4.017 -12.451 -10.195 1.00 0.00 O ATOM 0 H ASP A 75 -7.456 -9.333 -9.784 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.105 -11.358 -11.742 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.370 -9.731 -11.128 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -5.286 -10.401 -9.511 1.00 0.00 H new ATOM 1188 N GLY A 76 -6.886 -13.595 -10.466 1.00 0.00 N ATOM 1189 CA GLY A 76 -7.171 -14.884 -9.854 1.00 0.00 C ATOM 1190 C GLY A 76 -6.137 -15.313 -8.816 1.00 0.00 C ATOM 1191 O GLY A 76 -6.296 -16.391 -8.243 1.00 0.00 O ATOM 0 H GLY A 76 -6.456 -13.664 -11.388 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.152 -14.843 -9.381 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -7.225 -15.643 -10.635 1.00 0.00 H new ATOM 1195 N ALA A 77 -5.064 -14.549 -8.608 1.00 0.00 N ATOM 1196 CA ALA A 77 -3.993 -14.883 -7.683 1.00 0.00 C ATOM 1197 C ALA A 77 -3.590 -13.669 -6.850 1.00 0.00 C ATOM 1198 O ALA A 77 -3.315 -13.808 -5.655 1.00 0.00 O ATOM 1199 CB ALA A 77 -2.799 -15.421 -8.477 1.00 0.00 C ATOM 0 H ALA A 77 -4.917 -13.663 -9.091 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.342 -15.649 -6.991 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.990 -15.674 -7.791 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.100 -16.312 -9.028 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.455 -14.660 -9.178 1.00 0.00 H new ATOM 1205 N MET A 78 -3.512 -12.476 -7.446 1.00 0.00 N ATOM 1206 CA MET A 78 -3.049 -11.275 -6.756 1.00 0.00 C ATOM 1207 C MET A 78 -4.046 -10.755 -5.720 1.00 0.00 C ATOM 1208 O MET A 78 -3.681 -9.910 -4.908 1.00 0.00 O ATOM 1209 CB MET A 78 -2.649 -10.178 -7.755 1.00 0.00 C ATOM 1210 CG MET A 78 -1.480 -10.582 -8.662 1.00 0.00 C ATOM 1211 SD MET A 78 -0.716 -9.187 -9.537 1.00 0.00 S ATOM 1212 CE MET A 78 -2.043 -8.782 -10.702 1.00 0.00 C ATOM 0 H MET A 78 -3.769 -12.318 -8.421 1.00 0.00 H new ATOM 0 HA MET A 78 -2.159 -11.566 -6.197 1.00 0.00 H new ATOM 0 HB2 MET A 78 -3.511 -9.928 -8.374 1.00 0.00 H new ATOM 0 HB3 MET A 78 -2.379 -9.276 -7.205 1.00 0.00 H new ATOM 0 HG2 MET A 78 -0.721 -11.081 -8.060 1.00 0.00 H new ATOM 0 HG3 MET A 78 -1.834 -11.308 -9.394 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.738 -7.939 -11.322 1.00 0.00 H new ATOM 0 HE2 MET A 78 -2.246 -9.645 -11.336 1.00 0.00 H new ATOM 0 HE3 MET A 78 -2.944 -8.518 -10.149 1.00 0.00 H new ATOM 1222 N SER A 79 -5.264 -11.289 -5.659 1.00 0.00 N ATOM 1223 CA SER A 79 -6.302 -10.838 -4.735 1.00 0.00 C ATOM 1224 C SER A 79 -5.933 -11.047 -3.255 1.00 0.00 C ATOM 1225 O SER A 79 -6.508 -10.408 -2.365 1.00 0.00 O ATOM 1226 CB SER A 79 -7.608 -11.541 -5.111 1.00 0.00 C ATOM 1227 OG SER A 79 -7.476 -12.945 -5.028 1.00 0.00 O ATOM 0 H SER A 79 -5.562 -12.058 -6.259 1.00 0.00 H new ATOM 0 HA SER A 79 -6.417 -9.759 -4.834 1.00 0.00 H new ATOM 0 HB2 SER A 79 -8.407 -11.209 -4.448 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.897 -11.260 -6.124 1.00 0.00 H new ATOM 0 HG SER A 79 -8.326 -13.368 -5.272 1.00 0.00 H new ATOM 1233 N ALA A 80 -4.953 -11.913 -2.982 1.00 0.00 N ATOM 1234 CA ALA A 80 -4.358 -12.129 -1.668 1.00 0.00 C ATOM 1235 C ALA A 80 -3.476 -10.960 -1.201 1.00 0.00 C ATOM 1236 O ALA A 80 -2.993 -10.993 -0.067 1.00 0.00 O ATOM 1237 CB ALA A 80 -3.518 -13.408 -1.737 1.00 0.00 C ATOM 0 H ALA A 80 -4.539 -12.505 -3.702 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.166 -12.212 -0.941 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -3.060 -13.595 -0.766 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.157 -14.249 -2.005 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -2.738 -13.291 -2.490 1.00 0.00 H new ATOM 1243 N LEU A 81 -3.197 -9.970 -2.055 1.00 0.00 N ATOM 1244 CA LEU A 81 -2.286 -8.882 -1.722 1.00 0.00 C ATOM 1245 C LEU A 81 -2.925 -7.903 -0.739 1.00 0.00 C ATOM 1246 O LEU A 81 -4.121 -7.610 -0.840 1.00 0.00 O ATOM 1247 CB LEU A 81 -1.885 -8.092 -2.972 1.00 0.00 C ATOM 1248 CG LEU A 81 -0.755 -8.749 -3.778 1.00 0.00 C ATOM 1249 CD1 LEU A 81 -0.611 -7.964 -5.075 1.00 0.00 C ATOM 1250 CD2 LEU A 81 0.575 -8.741 -3.007 1.00 0.00 C ATOM 0 H LEU A 81 -3.597 -9.905 -2.991 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.407 -9.343 -1.271 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.758 -7.976 -3.614 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.573 -7.091 -2.674 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.001 -9.793 -3.970 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.185 -8.401 -5.678 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.549 -8.002 -5.629 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.366 -6.927 -4.847 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.349 -9.215 -3.611 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.863 -7.713 -2.789 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.457 -9.290 -2.073 1.00 0.00 H new ATOM 1262 N PRO A 82 -2.123 -7.296 0.149 1.00 0.00 N ATOM 1263 CA PRO A 82 -2.585 -6.307 1.102 1.00 0.00 C ATOM 1264 C PRO A 82 -2.506 -4.886 0.509 1.00 0.00 C ATOM 1265 O PRO A 82 -1.854 -4.025 1.100 1.00 0.00 O ATOM 1266 CB PRO A 82 -1.641 -6.509 2.293 1.00 0.00 C ATOM 1267 CG PRO A 82 -0.304 -6.787 1.613 1.00 0.00 C ATOM 1268 CD PRO A 82 -0.708 -7.576 0.371 1.00 0.00 C ATOM 0 HA PRO A 82 -3.632 -6.421 1.384 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.596 -5.625 2.929 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -1.956 -7.340 2.924 1.00 0.00 H new ATOM 0 HG2 PRO A 82 0.216 -5.865 1.354 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.364 -7.360 2.256 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -0.112 -7.276 -0.491 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -0.541 -8.643 0.517 1.00 0.00 H new ATOM 1276 N VAL A 83 -3.145 -4.623 -0.637 1.00 0.00 N ATOM 1277 CA VAL A 83 -3.192 -3.286 -1.245 1.00 0.00 C ATOM 1278 C VAL A 83 -3.699 -2.256 -0.225 1.00 0.00 C ATOM 1279 O VAL A 83 -4.838 -2.355 0.238 1.00 0.00 O ATOM 1280 CB VAL A 83 -4.001 -3.253 -2.556 1.00 0.00 C ATOM 1281 CG1 VAL A 83 -3.181 -3.696 -3.772 1.00 0.00 C ATOM 1282 CG2 VAL A 83 -5.247 -4.127 -2.497 1.00 0.00 C ATOM 0 H VAL A 83 -3.646 -5.333 -1.171 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.174 -3.017 -1.526 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.287 -2.207 -2.669 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.803 -3.652 -4.666 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.324 -3.034 -3.894 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.832 -4.718 -3.623 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.779 -4.067 -3.446 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.958 -5.161 -2.308 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -5.897 -3.780 -1.694 1.00 0.00 H new ATOM 1292 N LEU A 84 -2.831 -1.325 0.181 1.00 0.00 N ATOM 1293 CA LEU A 84 -3.059 -0.408 1.296 1.00 0.00 C ATOM 1294 C LEU A 84 -3.286 0.989 0.739 1.00 0.00 C ATOM 1295 O LEU A 84 -2.432 1.492 0.003 1.00 0.00 O ATOM 1296 CB LEU A 84 -1.844 -0.456 2.243 1.00 0.00 C ATOM 1297 CG LEU A 84 -1.963 0.329 3.567 1.00 0.00 C ATOM 1298 CD1 LEU A 84 -3.274 0.107 4.318 1.00 0.00 C ATOM 1299 CD2 LEU A 84 -0.818 -0.048 4.516 1.00 0.00 C ATOM 0 H LEU A 84 -1.927 -1.186 -0.270 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.941 -0.696 1.867 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.642 -1.500 2.484 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.976 -0.080 1.702 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.922 1.378 3.272 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.272 0.696 5.235 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.110 0.416 3.690 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.377 -0.950 4.566 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.916 0.514 5.445 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.860 -1.116 4.731 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.137 0.190 4.047 1.00 0.00 H new ATOM 1311 N MET A 85 -4.429 1.604 1.060 1.00 0.00 N ATOM 1312 CA MET A 85 -4.677 2.988 0.665 1.00 0.00 C ATOM 1313 C MET A 85 -3.951 3.873 1.682 1.00 0.00 C ATOM 1314 O MET A 85 -4.122 3.674 2.888 1.00 0.00 O ATOM 1315 CB MET A 85 -6.185 3.294 0.634 1.00 0.00 C ATOM 1316 CG MET A 85 -7.078 2.264 -0.078 1.00 0.00 C ATOM 1317 SD MET A 85 -6.991 2.164 -1.889 1.00 0.00 S ATOM 1318 CE MET A 85 -5.537 1.108 -2.138 1.00 0.00 C ATOM 0 H MET A 85 -5.187 1.169 1.586 1.00 0.00 H new ATOM 0 HA MET A 85 -4.307 3.176 -0.343 1.00 0.00 H new ATOM 0 HB2 MET A 85 -6.534 3.396 1.662 1.00 0.00 H new ATOM 0 HB3 MET A 85 -6.327 4.261 0.151 1.00 0.00 H new ATOM 0 HG2 MET A 85 -6.836 1.279 0.322 1.00 0.00 H new ATOM 0 HG3 MET A 85 -8.112 2.474 0.195 1.00 0.00 H new ATOM 0 HE1 MET A 85 -5.621 0.593 -3.095 1.00 0.00 H new ATOM 0 HE2 MET A 85 -4.636 1.722 -2.134 1.00 0.00 H new ATOM 0 HE3 MET A 85 -5.479 0.373 -1.335 1.00 0.00 H new ATOM 1328 N VAL A 86 -3.128 4.817 1.228 1.00 0.00 N ATOM 1329 CA VAL A 86 -2.315 5.693 2.066 1.00 0.00 C ATOM 1330 C VAL A 86 -2.396 7.089 1.459 1.00 0.00 C ATOM 1331 O VAL A 86 -1.893 7.310 0.362 1.00 0.00 O ATOM 1332 CB VAL A 86 -0.868 5.156 2.127 1.00 0.00 C ATOM 1333 CG1 VAL A 86 0.061 6.060 2.943 1.00 0.00 C ATOM 1334 CG2 VAL A 86 -0.787 3.744 2.721 1.00 0.00 C ATOM 0 H VAL A 86 -3.006 4.998 0.232 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.675 5.728 3.094 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.540 5.135 1.088 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.065 5.636 2.953 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.091 7.052 2.493 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.311 6.136 3.965 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.252 3.416 2.740 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.183 3.753 3.736 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.373 3.058 2.109 1.00 0.00 H new ATOM 1344 N THR A 87 -3.098 8.019 2.107 1.00 0.00 N ATOM 1345 CA THR A 87 -3.450 9.267 1.444 1.00 0.00 C ATOM 1346 C THR A 87 -3.611 10.419 2.438 1.00 0.00 C ATOM 1347 O THR A 87 -3.736 10.224 3.647 1.00 0.00 O ATOM 1348 CB THR A 87 -4.696 8.980 0.574 1.00 0.00 C ATOM 1349 OG1 THR A 87 -5.094 10.094 -0.202 1.00 0.00 O ATOM 1350 CG2 THR A 87 -5.896 8.506 1.394 1.00 0.00 C ATOM 0 H THR A 87 -3.426 7.933 3.069 1.00 0.00 H new ATOM 0 HA THR A 87 -2.647 9.614 0.793 1.00 0.00 H new ATOM 0 HB THR A 87 -4.380 8.177 -0.092 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.768 9.987 -1.120 1.00 0.00 H new ATOM 0 HG21 THR A 87 -6.740 8.321 0.730 1.00 0.00 H new ATOM 0 HG22 THR A 87 -5.638 7.586 1.918 1.00 0.00 H new ATOM 0 HG23 THR A 87 -6.167 9.273 2.119 1.00 0.00 H new ATOM 1358 N ALA A 88 -3.638 11.648 1.926 1.00 0.00 N ATOM 1359 CA ALA A 88 -4.160 12.799 2.643 1.00 0.00 C ATOM 1360 C ALA A 88 -5.688 12.782 2.690 1.00 0.00 C ATOM 1361 O ALA A 88 -6.284 13.389 3.579 1.00 0.00 O ATOM 1362 CB ALA A 88 -3.692 14.071 1.926 1.00 0.00 C ATOM 0 H ALA A 88 -3.294 11.870 0.992 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.791 12.770 3.668 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -4.075 14.946 2.451 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.603 14.102 1.915 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -4.066 14.070 0.902 1.00 0.00 H new ATOM 1368 N GLU A 89 -6.316 12.166 1.694 1.00 0.00 N ATOM 1369 CA GLU A 89 -7.722 12.323 1.365 1.00 0.00 C ATOM 1370 C GLU A 89 -8.540 11.270 2.114 1.00 0.00 C ATOM 1371 O GLU A 89 -8.605 10.128 1.670 1.00 0.00 O ATOM 1372 CB GLU A 89 -7.864 12.243 -0.160 1.00 0.00 C ATOM 1373 CG GLU A 89 -7.072 13.356 -0.879 1.00 0.00 C ATOM 1374 CD GLU A 89 -7.961 14.285 -1.711 1.00 0.00 C ATOM 1375 OE1 GLU A 89 -8.172 14.004 -2.914 1.00 0.00 O ATOM 1376 OE2 GLU A 89 -8.421 15.322 -1.173 1.00 0.00 O ATOM 0 H GLU A 89 -5.836 11.517 1.070 1.00 0.00 H new ATOM 0 HA GLU A 89 -8.110 13.291 1.682 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.515 11.270 -0.505 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -8.918 12.317 -0.429 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.533 13.946 -0.138 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.325 12.900 -1.529 1.00 0.00 H new ATOM 1383 N ALA A 90 -9.122 11.628 3.263 1.00 0.00 N ATOM 1384 CA ALA A 90 -9.972 10.747 4.066 1.00 0.00 C ATOM 1385 C ALA A 90 -11.155 10.243 3.247 1.00 0.00 C ATOM 1386 O ALA A 90 -11.161 9.077 2.882 1.00 0.00 O ATOM 1387 CB ALA A 90 -10.440 11.479 5.325 1.00 0.00 C ATOM 0 H ALA A 90 -9.012 12.558 3.668 1.00 0.00 H new ATOM 0 HA ALA A 90 -9.390 9.877 4.371 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -11.072 10.817 5.917 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -9.574 11.778 5.915 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.008 12.365 5.041 1.00 0.00 H new ATOM 1393 N LYS A 91 -12.141 11.113 2.993 1.00 0.00 N ATOM 1394 CA LYS A 91 -13.409 10.838 2.322 1.00 0.00 C ATOM 1395 C LYS A 91 -14.000 9.489 2.719 1.00 0.00 C ATOM 1396 O LYS A 91 -13.721 8.468 2.100 1.00 0.00 O ATOM 1397 CB LYS A 91 -13.216 11.038 0.815 1.00 0.00 C ATOM 1398 CG LYS A 91 -14.519 10.914 0.014 1.00 0.00 C ATOM 1399 CD LYS A 91 -14.461 11.758 -1.263 1.00 0.00 C ATOM 1400 CE LYS A 91 -15.795 11.693 -2.006 1.00 0.00 C ATOM 1401 NZ LYS A 91 -15.838 12.656 -3.120 1.00 0.00 N ATOM 0 H LYS A 91 -12.065 12.091 3.271 1.00 0.00 H new ATOM 0 HA LYS A 91 -14.169 11.546 2.652 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -12.782 12.022 0.639 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -12.500 10.303 0.447 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -14.693 9.869 -0.244 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -15.360 11.235 0.629 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -14.227 12.793 -1.012 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -13.660 11.398 -1.909 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -15.951 10.684 -2.389 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -16.610 11.900 -1.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -16.756 12.587 -3.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -15.713 13.620 -2.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -15.075 12.442 -3.794 1.00 0.00 H new ATOM 1415 N LYS A 92 -14.877 9.481 3.730 1.00 0.00 N ATOM 1416 CA LYS A 92 -15.580 8.278 4.184 1.00 0.00 C ATOM 1417 C LYS A 92 -16.110 7.459 3.013 1.00 0.00 C ATOM 1418 O LYS A 92 -15.941 6.248 3.038 1.00 0.00 O ATOM 1419 CB LYS A 92 -16.691 8.611 5.199 1.00 0.00 C ATOM 1420 CG LYS A 92 -16.227 8.460 6.658 1.00 0.00 C ATOM 1421 CD LYS A 92 -14.961 9.267 6.990 1.00 0.00 C ATOM 1422 CE LYS A 92 -14.655 9.261 8.486 1.00 0.00 C ATOM 1423 NZ LYS A 92 -14.270 7.929 9.001 1.00 0.00 N ATOM 0 H LYS A 92 -15.120 10.318 4.260 1.00 0.00 H new ATOM 0 HA LYS A 92 -14.850 7.658 4.704 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -17.033 9.633 5.035 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -17.545 7.957 5.024 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -17.033 8.776 7.321 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -16.040 7.406 6.863 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -14.113 8.852 6.445 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -15.087 10.295 6.650 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -13.849 9.967 8.687 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -15.531 9.613 9.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -14.076 7.994 10.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -15.046 7.256 8.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -13.417 7.599 8.507 1.00 0.00 H new ATOM 1437 N GLU A 93 -16.656 8.086 1.974 1.00 0.00 N ATOM 1438 CA GLU A 93 -17.127 7.408 0.769 1.00 0.00 C ATOM 1439 C GLU A 93 -16.041 6.540 0.103 1.00 0.00 C ATOM 1440 O GLU A 93 -16.301 5.401 -0.299 1.00 0.00 O ATOM 1441 CB GLU A 93 -17.623 8.493 -0.188 1.00 0.00 C ATOM 1442 CG GLU A 93 -18.376 7.909 -1.380 1.00 0.00 C ATOM 1443 CD GLU A 93 -18.738 9.024 -2.350 1.00 0.00 C ATOM 1444 OE1 GLU A 93 -19.648 9.818 -2.017 1.00 0.00 O ATOM 1445 OE2 GLU A 93 -18.102 9.134 -3.424 1.00 0.00 O ATOM 0 H GLU A 93 -16.786 9.097 1.945 1.00 0.00 H new ATOM 0 HA GLU A 93 -17.925 6.714 1.033 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -18.276 9.180 0.351 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -16.774 9.075 -0.546 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -17.760 7.162 -1.882 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -19.279 7.402 -1.040 1.00 0.00 H new ATOM 1452 N ASN A 94 -14.828 7.083 -0.029 1.00 0.00 N ATOM 1453 CA ASN A 94 -13.652 6.402 -0.560 1.00 0.00 C ATOM 1454 C ASN A 94 -13.211 5.306 0.414 1.00 0.00 C ATOM 1455 O ASN A 94 -12.830 4.216 -0.011 1.00 0.00 O ATOM 1456 CB ASN A 94 -12.489 7.393 -0.782 1.00 0.00 C ATOM 1457 CG ASN A 94 -12.656 8.427 -1.898 1.00 0.00 C ATOM 1458 OD1 ASN A 94 -11.960 9.437 -1.913 1.00 0.00 O ATOM 1459 ND2 ASN A 94 -13.571 8.266 -2.842 1.00 0.00 N ATOM 0 H ASN A 94 -14.634 8.047 0.243 1.00 0.00 H new ATOM 0 HA ASN A 94 -13.916 5.961 -1.521 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -12.318 7.928 0.152 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -11.588 6.816 -0.988 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -13.688 8.976 -3.565 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -14.159 7.432 -2.846 1.00 0.00 H new ATOM 1466 N ILE A 95 -13.306 5.554 1.723 1.00 0.00 N ATOM 1467 CA ILE A 95 -12.985 4.570 2.752 1.00 0.00 C ATOM 1468 C ILE A 95 -13.972 3.393 2.657 1.00 0.00 C ATOM 1469 O ILE A 95 -13.529 2.246 2.775 1.00 0.00 O ATOM 1470 CB ILE A 95 -12.943 5.254 4.143 1.00 0.00 C ATOM 1471 CG1 ILE A 95 -11.606 6.009 4.317 1.00 0.00 C ATOM 1472 CG2 ILE A 95 -13.100 4.221 5.274 1.00 0.00 C ATOM 1473 CD1 ILE A 95 -11.644 7.231 5.246 1.00 0.00 C ATOM 0 H ILE A 95 -13.611 6.452 2.098 1.00 0.00 H new ATOM 0 HA ILE A 95 -11.990 4.152 2.597 1.00 0.00 H new ATOM 0 HB ILE A 95 -13.774 5.957 4.199 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -10.862 5.309 4.699 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -11.263 6.334 3.335 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -13.067 4.729 6.238 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -14.055 3.707 5.167 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -12.289 3.495 5.219 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -10.653 7.683 5.294 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -12.357 7.960 4.860 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -11.949 6.919 6.245 1.00 0.00 H new ATOM 1485 N ILE A 96 -15.282 3.613 2.443 1.00 0.00 N ATOM 1486 CA ILE A 96 -16.209 2.525 2.178 1.00 0.00 C ATOM 1487 C ILE A 96 -15.742 1.801 0.916 1.00 0.00 C ATOM 1488 O ILE A 96 -15.645 0.583 0.966 1.00 0.00 O ATOM 1489 CB ILE A 96 -17.621 3.113 2.036 1.00 0.00 C ATOM 1490 CG1 ILE A 96 -18.148 3.397 3.457 1.00 0.00 C ATOM 1491 CG2 ILE A 96 -18.620 2.176 1.331 1.00 0.00 C ATOM 1492 CD1 ILE A 96 -18.817 4.759 3.466 1.00 0.00 C ATOM 0 H ILE A 96 -15.711 4.538 2.451 1.00 0.00 H new ATOM 0 HA ILE A 96 -16.236 1.799 2.991 1.00 0.00 H new ATOM 0 HB ILE A 96 -17.542 4.008 1.419 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -18.857 2.626 3.758 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -17.328 3.374 4.175 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -19.594 2.662 1.269 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -18.262 1.952 0.326 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -18.712 1.250 1.898 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -19.195 4.972 4.466 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -18.093 5.522 3.181 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -19.645 4.762 2.757 1.00 0.00 H new ATOM 1504 N ALA A 97 -15.428 2.501 -0.183 1.00 0.00 N ATOM 1505 CA ALA A 97 -15.021 1.845 -1.424 1.00 0.00 C ATOM 1506 C ALA A 97 -13.833 0.909 -1.198 1.00 0.00 C ATOM 1507 O ALA A 97 -13.832 -0.218 -1.692 1.00 0.00 O ATOM 1508 CB ALA A 97 -14.704 2.876 -2.514 1.00 0.00 C ATOM 0 H ALA A 97 -15.449 3.520 -0.233 1.00 0.00 H new ATOM 0 HA ALA A 97 -15.860 1.239 -1.765 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -14.404 2.360 -3.426 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -15.590 3.479 -2.713 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -13.893 3.522 -2.179 1.00 0.00 H new ATOM 1514 N ALA A 98 -12.835 1.357 -0.435 1.00 0.00 N ATOM 1515 CA ALA A 98 -11.656 0.564 -0.134 1.00 0.00 C ATOM 1516 C ALA A 98 -12.037 -0.664 0.683 1.00 0.00 C ATOM 1517 O ALA A 98 -11.574 -1.764 0.395 1.00 0.00 O ATOM 1518 CB ALA A 98 -10.647 1.425 0.618 1.00 0.00 C ATOM 0 H ALA A 98 -12.828 2.284 -0.010 1.00 0.00 H new ATOM 0 HA ALA A 98 -11.204 0.220 -1.064 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -9.761 0.832 0.845 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -10.365 2.278 0.001 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.093 1.781 1.546 1.00 0.00 H new ATOM 1524 N ALA A 99 -12.866 -0.492 1.712 1.00 0.00 N ATOM 1525 CA ALA A 99 -13.319 -1.581 2.563 1.00 0.00 C ATOM 1526 C ALA A 99 -14.207 -2.582 1.800 1.00 0.00 C ATOM 1527 O ALA A 99 -14.075 -3.792 1.990 1.00 0.00 O ATOM 1528 CB ALA A 99 -14.007 -0.950 3.775 1.00 0.00 C ATOM 0 H ALA A 99 -13.243 0.418 1.977 1.00 0.00 H new ATOM 0 HA ALA A 99 -12.477 -2.184 2.903 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -14.363 -1.736 4.441 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -13.297 -0.317 4.307 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -14.852 -0.347 3.441 1.00 0.00 H new ATOM 1534 N GLN A 100 -15.039 -2.105 0.876 1.00 0.00 N ATOM 1535 CA GLN A 100 -15.866 -2.897 -0.028 1.00 0.00 C ATOM 1536 C GLN A 100 -14.995 -3.717 -0.979 1.00 0.00 C ATOM 1537 O GLN A 100 -15.235 -4.910 -1.177 1.00 0.00 O ATOM 1538 CB GLN A 100 -16.790 -1.950 -0.815 1.00 0.00 C ATOM 1539 CG GLN A 100 -17.963 -1.418 0.020 1.00 0.00 C ATOM 1540 CD GLN A 100 -18.924 -2.532 0.401 1.00 0.00 C ATOM 1541 OE1 GLN A 100 -18.809 -3.137 1.464 1.00 0.00 O ATOM 1542 NE2 GLN A 100 -19.848 -2.878 -0.470 1.00 0.00 N ATOM 0 H GLN A 100 -15.160 -1.103 0.731 1.00 0.00 H new ATOM 0 HA GLN A 100 -16.470 -3.596 0.550 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -16.206 -1.108 -1.186 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -17.181 -2.475 -1.686 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -17.582 -0.940 0.922 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -18.496 -0.653 -0.545 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -19.935 -2.369 -1.350 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -20.477 -3.655 -0.265 1.00 0.00 H new ATOM 1551 N ALA A 101 -13.964 -3.100 -1.555 1.00 0.00 N ATOM 1552 CA ALA A 101 -12.935 -3.795 -2.311 1.00 0.00 C ATOM 1553 C ALA A 101 -11.999 -4.620 -1.404 1.00 0.00 C ATOM 1554 O ALA A 101 -11.170 -5.383 -1.895 1.00 0.00 O ATOM 1555 CB ALA A 101 -12.172 -2.755 -3.123 1.00 0.00 C ATOM 0 H ALA A 101 -13.822 -2.091 -1.506 1.00 0.00 H new ATOM 0 HA ALA A 101 -13.399 -4.521 -2.979 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -11.391 -3.247 -3.702 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -12.859 -2.246 -3.799 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -11.720 -2.027 -2.449 1.00 0.00 H new ATOM 1561 N GLY A 102 -12.126 -4.525 -0.082 1.00 0.00 N ATOM 1562 CA GLY A 102 -11.413 -5.367 0.860 1.00 0.00 C ATOM 1563 C GLY A 102 -9.931 -5.027 0.961 1.00 0.00 C ATOM 1564 O GLY A 102 -9.142 -5.935 1.239 1.00 0.00 O ATOM 0 H GLY A 102 -12.740 -3.846 0.367 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -11.870 -5.269 1.845 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -11.521 -6.410 0.561 1.00 0.00 H new ATOM 1568 N ALA A 103 -9.553 -3.761 0.744 1.00 0.00 N ATOM 1569 CA ALA A 103 -8.181 -3.274 0.872 1.00 0.00 C ATOM 1570 C ALA A 103 -7.602 -3.671 2.239 1.00 0.00 C ATOM 1571 O ALA A 103 -8.361 -3.896 3.191 1.00 0.00 O ATOM 1572 CB ALA A 103 -8.156 -1.742 0.736 1.00 0.00 C ATOM 0 H ALA A 103 -10.211 -3.032 0.468 1.00 0.00 H new ATOM 0 HA ALA A 103 -7.577 -3.721 0.083 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.131 -1.385 0.832 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.549 -1.457 -0.240 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.770 -1.297 1.519 1.00 0.00 H new ATOM 1578 N SER A 104 -6.277 -3.678 2.391 1.00 0.00 N ATOM 1579 CA SER A 104 -5.673 -3.982 3.685 1.00 0.00 C ATOM 1580 C SER A 104 -6.049 -2.940 4.740 1.00 0.00 C ATOM 1581 O SER A 104 -6.191 -3.290 5.914 1.00 0.00 O ATOM 1582 CB SER A 104 -4.161 -4.122 3.557 1.00 0.00 C ATOM 1583 OG SER A 104 -3.614 -3.012 2.901 1.00 0.00 O ATOM 0 H SER A 104 -5.611 -3.479 1.644 1.00 0.00 H new ATOM 0 HA SER A 104 -6.072 -4.939 4.022 1.00 0.00 H new ATOM 0 HB2 SER A 104 -3.715 -4.222 4.547 1.00 0.00 H new ATOM 0 HB3 SER A 104 -3.920 -5.031 3.006 1.00 0.00 H new ATOM 0 HG SER A 104 -2.865 -3.301 2.338 1.00 0.00 H new ATOM 1589 N GLY A 105 -6.268 -1.690 4.331 1.00 0.00 N ATOM 1590 CA GLY A 105 -6.663 -0.601 5.199 1.00 0.00 C ATOM 1591 C GLY A 105 -6.669 0.717 4.433 1.00 0.00 C ATOM 1592 O GLY A 105 -6.450 0.752 3.213 1.00 0.00 O ATOM 0 H GLY A 105 -6.170 -1.408 3.356 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -7.655 -0.795 5.608 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -5.977 -0.534 6.044 1.00 0.00 H new ATOM 1596 N TYR A 106 -6.919 1.792 5.177 1.00 0.00 N ATOM 1597 CA TYR A 106 -6.987 3.150 4.676 1.00 0.00 C ATOM 1598 C TYR A 106 -6.306 4.055 5.694 1.00 0.00 C ATOM 1599 O TYR A 106 -6.893 4.431 6.711 1.00 0.00 O ATOM 1600 CB TYR A 106 -8.447 3.531 4.409 1.00 0.00 C ATOM 1601 CG TYR A 106 -8.624 4.662 3.415 1.00 0.00 C ATOM 1602 CD1 TYR A 106 -8.214 5.975 3.715 1.00 0.00 C ATOM 1603 CD2 TYR A 106 -9.274 4.400 2.197 1.00 0.00 C ATOM 1604 CE1 TYR A 106 -8.476 7.016 2.806 1.00 0.00 C ATOM 1605 CE2 TYR A 106 -9.540 5.434 1.290 1.00 0.00 C ATOM 1606 CZ TYR A 106 -9.141 6.752 1.586 1.00 0.00 C ATOM 1607 OH TYR A 106 -9.403 7.743 0.696 1.00 0.00 O ATOM 0 H TYR A 106 -7.085 1.732 6.182 1.00 0.00 H new ATOM 0 HA TYR A 106 -6.467 3.257 3.724 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -8.978 2.653 4.041 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.915 3.815 5.352 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -7.699 6.183 4.641 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.572 3.390 1.957 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -8.167 8.024 3.041 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -10.051 5.220 0.363 1.00 0.00 H new ATOM 0 HH TYR A 106 -8.882 8.539 0.930 1.00 0.00 H new ATOM 1617 N VAL A 107 -5.028 4.337 5.479 1.00 0.00 N ATOM 1618 CA VAL A 107 -4.257 5.301 6.241 1.00 0.00 C ATOM 1619 C VAL A 107 -4.644 6.697 5.739 1.00 0.00 C ATOM 1620 O VAL A 107 -4.649 6.928 4.528 1.00 0.00 O ATOM 1621 CB VAL A 107 -2.762 5.003 6.024 1.00 0.00 C ATOM 1622 CG1 VAL A 107 -1.889 6.067 6.679 1.00 0.00 C ATOM 1623 CG2 VAL A 107 -2.337 3.637 6.573 1.00 0.00 C ATOM 0 H VAL A 107 -4.485 3.884 4.744 1.00 0.00 H new ATOM 0 HA VAL A 107 -4.458 5.245 7.311 1.00 0.00 H new ATOM 0 HB VAL A 107 -2.621 5.003 4.943 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -0.839 5.831 6.510 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.116 7.041 6.246 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.087 6.091 7.751 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -1.273 3.486 6.389 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -2.529 3.600 7.645 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -2.906 2.852 6.075 1.00 0.00 H new ATOM 1633 N VAL A 108 -4.914 7.632 6.655 1.00 0.00 N ATOM 1634 CA VAL A 108 -5.040 9.050 6.338 1.00 0.00 C ATOM 1635 C VAL A 108 -3.882 9.776 7.027 1.00 0.00 C ATOM 1636 O VAL A 108 -3.408 9.343 8.079 1.00 0.00 O ATOM 1637 CB VAL A 108 -6.421 9.598 6.751 1.00 0.00 C ATOM 1638 CG1 VAL A 108 -6.634 11.051 6.298 1.00 0.00 C ATOM 1639 CG2 VAL A 108 -7.554 8.757 6.141 1.00 0.00 C ATOM 0 H VAL A 108 -5.052 7.420 7.643 1.00 0.00 H new ATOM 0 HA VAL A 108 -4.980 9.214 5.262 1.00 0.00 H new ATOM 0 HB VAL A 108 -6.444 9.549 7.840 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -7.621 11.389 6.613 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -5.872 11.688 6.747 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -6.561 11.108 5.212 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -8.517 9.166 6.449 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -7.480 8.781 5.054 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -7.470 7.727 6.488 1.00 0.00 H new ATOM 1649 N LYS A 109 -3.421 10.883 6.440 1.00 0.00 N ATOM 1650 CA LYS A 109 -2.424 11.770 7.036 1.00 0.00 C ATOM 1651 C LYS A 109 -2.848 12.272 8.428 1.00 0.00 C ATOM 1652 O LYS A 109 -4.035 12.216 8.773 1.00 0.00 O ATOM 1653 CB LYS A 109 -2.132 12.940 6.077 1.00 0.00 C ATOM 1654 CG LYS A 109 -3.222 14.028 6.061 1.00 0.00 C ATOM 1655 CD LYS A 109 -2.829 15.202 5.157 1.00 0.00 C ATOM 1656 CE LYS A 109 -1.719 16.101 5.722 1.00 0.00 C ATOM 1657 NZ LYS A 109 -2.212 17.083 6.710 1.00 0.00 N ATOM 0 H LYS A 109 -3.737 11.192 5.521 1.00 0.00 H new ATOM 0 HA LYS A 109 -1.508 11.199 7.186 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.182 13.396 6.357 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -2.012 12.547 5.068 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -4.162 13.598 5.714 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -3.392 14.389 7.075 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -2.505 14.809 4.194 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -3.713 15.812 4.971 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -0.957 15.477 6.189 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -1.237 16.632 4.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -1.417 17.659 7.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -2.919 17.701 6.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -2.648 16.582 7.510 1.00 0.00 H new ATOM 1671 N PRO A 110 -1.928 12.897 9.183 1.00 0.00 N ATOM 1672 CA PRO A 110 -0.474 12.837 9.082 1.00 0.00 C ATOM 1673 C PRO A 110 -0.017 11.562 9.794 1.00 0.00 C ATOM 1674 O PRO A 110 0.080 11.511 11.023 1.00 0.00 O ATOM 1675 CB PRO A 110 0.018 14.117 9.753 1.00 0.00 C ATOM 1676 CG PRO A 110 -1.054 14.417 10.802 1.00 0.00 C ATOM 1677 CD PRO A 110 -2.289 13.642 10.368 1.00 0.00 C ATOM 0 HA PRO A 110 -0.082 12.789 8.066 1.00 0.00 H new ATOM 0 HB2 PRO A 110 0.997 13.977 10.211 1.00 0.00 H new ATOM 0 HB3 PRO A 110 0.115 14.932 9.036 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -0.727 14.107 11.795 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -1.262 15.486 10.854 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -2.620 12.970 11.160 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -3.116 14.321 10.159 1.00 0.00 H new ATOM 1685 N PHE A 111 0.153 10.494 9.016 1.00 0.00 N ATOM 1686 CA PHE A 111 0.279 9.154 9.554 1.00 0.00 C ATOM 1687 C PHE A 111 1.697 8.872 10.030 1.00 0.00 C ATOM 1688 O PHE A 111 2.670 9.496 9.591 1.00 0.00 O ATOM 1689 CB PHE A 111 -0.166 8.138 8.504 1.00 0.00 C ATOM 1690 CG PHE A 111 0.562 8.168 7.180 1.00 0.00 C ATOM 1691 CD1 PHE A 111 1.724 7.399 7.022 1.00 0.00 C ATOM 1692 CD2 PHE A 111 0.026 8.864 6.081 1.00 0.00 C ATOM 1693 CE1 PHE A 111 2.367 7.340 5.777 1.00 0.00 C ATOM 1694 CE2 PHE A 111 0.670 8.804 4.837 1.00 0.00 C ATOM 1695 CZ PHE A 111 1.844 8.050 4.687 1.00 0.00 C ATOM 0 H PHE A 111 0.206 10.540 7.998 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.368 9.067 10.427 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -0.059 7.140 8.929 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.228 8.290 8.312 1.00 0.00 H new ATOM 0 HD1 PHE A 111 2.125 6.851 7.862 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -0.879 9.443 6.195 1.00 0.00 H new ATOM 0 HE1 PHE A 111 3.263 6.749 5.658 1.00 0.00 H new ATOM 0 HE2 PHE A 111 0.262 9.339 3.992 1.00 0.00 H new ATOM 0 HZ PHE A 111 2.345 8.017 3.731 1.00 0.00 H new ATOM 1705 N THR A 112 1.792 7.884 10.909 1.00 0.00 N ATOM 1706 CA THR A 112 2.990 7.511 11.631 1.00 0.00 C ATOM 1707 C THR A 112 3.001 6.002 11.861 1.00 0.00 C ATOM 1708 O THR A 112 2.071 5.286 11.466 1.00 0.00 O ATOM 1709 CB THR A 112 3.020 8.278 12.962 1.00 0.00 C ATOM 1710 OG1 THR A 112 1.788 8.132 13.643 1.00 0.00 O ATOM 1711 CG2 THR A 112 3.325 9.757 12.752 1.00 0.00 C ATOM 0 H THR A 112 0.994 7.295 11.146 1.00 0.00 H new ATOM 0 HA THR A 112 3.879 7.768 11.056 1.00 0.00 H new ATOM 0 HB THR A 112 3.820 7.852 13.568 1.00 0.00 H new ATOM 0 HG1 THR A 112 1.822 8.624 14.490 1.00 0.00 H new ATOM 0 HG21 THR A 112 3.338 10.266 13.716 1.00 0.00 H new ATOM 0 HG22 THR A 112 4.298 9.863 12.272 1.00 0.00 H new ATOM 0 HG23 THR A 112 2.557 10.200 12.118 1.00 0.00 H new ATOM 1719 N ALA A 113 4.042 5.517 12.535 1.00 0.00 N ATOM 1720 CA ALA A 113 4.192 4.126 12.905 1.00 0.00 C ATOM 1721 C ALA A 113 2.976 3.664 13.717 1.00 0.00 C ATOM 1722 O ALA A 113 2.508 2.547 13.516 1.00 0.00 O ATOM 1723 CB ALA A 113 5.511 3.960 13.662 1.00 0.00 C ATOM 0 H ALA A 113 4.819 6.101 12.843 1.00 0.00 H new ATOM 0 HA ALA A 113 4.232 3.491 12.020 1.00 0.00 H new ATOM 0 HB1 ALA A 113 5.638 2.916 13.948 1.00 0.00 H new ATOM 0 HB2 ALA A 113 6.339 4.264 13.021 1.00 0.00 H new ATOM 0 HB3 ALA A 113 5.498 4.582 14.557 1.00 0.00 H new ATOM 1729 N ALA A 114 2.393 4.553 14.533 1.00 0.00 N ATOM 1730 CA ALA A 114 1.223 4.258 15.351 1.00 0.00 C ATOM 1731 C ALA A 114 0.013 3.795 14.531 1.00 0.00 C ATOM 1732 O ALA A 114 -0.840 3.097 15.079 1.00 0.00 O ATOM 1733 CB ALA A 114 0.851 5.490 16.184 1.00 0.00 C ATOM 0 H ALA A 114 2.731 5.509 14.640 1.00 0.00 H new ATOM 0 HA ALA A 114 1.493 3.427 16.003 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -0.024 5.266 16.794 1.00 0.00 H new ATOM 0 HB2 ALA A 114 1.686 5.757 16.831 1.00 0.00 H new ATOM 0 HB3 ALA A 114 0.626 6.324 15.519 1.00 0.00 H new ATOM 1739 N THR A 115 -0.078 4.148 13.243 1.00 0.00 N ATOM 1740 CA THR A 115 -1.153 3.675 12.379 1.00 0.00 C ATOM 1741 C THR A 115 -0.636 2.596 11.420 1.00 0.00 C ATOM 1742 O THR A 115 -1.372 1.651 11.143 1.00 0.00 O ATOM 1743 CB THR A 115 -1.831 4.888 11.713 1.00 0.00 C ATOM 1744 OG1 THR A 115 -3.214 4.677 11.558 1.00 0.00 O ATOM 1745 CG2 THR A 115 -1.288 5.264 10.341 1.00 0.00 C ATOM 0 H THR A 115 0.588 4.765 12.778 1.00 0.00 H new ATOM 0 HA THR A 115 -1.933 3.173 12.951 1.00 0.00 H new ATOM 0 HB THR A 115 -1.611 5.706 12.399 1.00 0.00 H new ATOM 0 HG1 THR A 115 -3.619 5.462 11.135 1.00 0.00 H new ATOM 0 HG21 THR A 115 -1.831 6.128 9.959 1.00 0.00 H new ATOM 0 HG22 THR A 115 -0.229 5.508 10.423 1.00 0.00 H new ATOM 0 HG23 THR A 115 -1.415 4.425 9.657 1.00 0.00 H new ATOM 1753 N LEU A 116 0.617 2.694 10.948 1.00 0.00 N ATOM 1754 CA LEU A 116 1.267 1.708 10.079 1.00 0.00 C ATOM 1755 C LEU A 116 1.161 0.321 10.730 1.00 0.00 C ATOM 1756 O LEU A 116 0.731 -0.640 10.078 1.00 0.00 O ATOM 1757 CB LEU A 116 2.728 2.163 9.847 1.00 0.00 C ATOM 1758 CG LEU A 116 3.587 1.480 8.759 1.00 0.00 C ATOM 1759 CD1 LEU A 116 3.832 -0.004 9.009 1.00 0.00 C ATOM 1760 CD2 LEU A 116 3.069 1.693 7.331 1.00 0.00 C ATOM 0 H LEU A 116 1.221 3.486 11.169 1.00 0.00 H new ATOM 0 HA LEU A 116 0.782 1.637 9.105 1.00 0.00 H new ATOM 0 HB2 LEU A 116 2.703 3.229 9.619 1.00 0.00 H new ATOM 0 HB3 LEU A 116 3.256 2.052 10.794 1.00 0.00 H new ATOM 0 HG LEU A 116 4.545 1.993 8.841 1.00 0.00 H new ATOM 0 HD11 LEU A 116 4.442 -0.413 8.203 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.352 -0.132 9.958 1.00 0.00 H new ATOM 0 HD13 LEU A 116 2.878 -0.529 9.044 1.00 0.00 H new ATOM 0 HD21 LEU A 116 3.726 1.183 6.626 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.061 1.288 7.246 1.00 0.00 H new ATOM 0 HD23 LEU A 116 3.052 2.759 7.105 1.00 0.00 H new ATOM 1772 N GLU A 117 1.488 0.244 12.024 1.00 0.00 N ATOM 1773 CA GLU A 117 1.452 -0.982 12.811 1.00 0.00 C ATOM 1774 C GLU A 117 0.041 -1.551 12.928 1.00 0.00 C ATOM 1775 O GLU A 117 -0.096 -2.766 12.921 1.00 0.00 O ATOM 1776 CB GLU A 117 2.099 -0.767 14.192 1.00 0.00 C ATOM 1777 CG GLU A 117 1.334 0.139 15.174 1.00 0.00 C ATOM 1778 CD GLU A 117 0.533 -0.621 16.236 1.00 0.00 C ATOM 1779 OE1 GLU A 117 0.005 -1.720 15.979 1.00 0.00 O ATOM 1780 OE2 GLU A 117 0.372 -0.077 17.355 1.00 0.00 O ATOM 0 H GLU A 117 1.792 1.056 12.562 1.00 0.00 H new ATOM 0 HA GLU A 117 2.041 -1.729 12.279 1.00 0.00 H new ATOM 0 HB2 GLU A 117 2.234 -1.742 14.661 1.00 0.00 H new ATOM 0 HB3 GLU A 117 3.093 -0.345 14.042 1.00 0.00 H new ATOM 0 HG2 GLU A 117 2.045 0.797 15.673 1.00 0.00 H new ATOM 0 HG3 GLU A 117 0.654 0.776 14.609 1.00 0.00 H new ATOM 1787 N GLU A 118 -1.012 -0.722 12.967 1.00 0.00 N ATOM 1788 CA GLU A 118 -2.376 -1.245 13.022 1.00 0.00 C ATOM 1789 C GLU A 118 -2.675 -1.993 11.728 1.00 0.00 C ATOM 1790 O GLU A 118 -3.277 -3.067 11.753 1.00 0.00 O ATOM 1791 CB GLU A 118 -3.422 -0.134 13.233 1.00 0.00 C ATOM 1792 CG GLU A 118 -4.832 -0.735 13.450 1.00 0.00 C ATOM 1793 CD GLU A 118 -5.972 0.194 13.043 1.00 0.00 C ATOM 1794 OE1 GLU A 118 -5.983 0.667 11.886 1.00 0.00 O ATOM 1795 OE2 GLU A 118 -6.931 0.380 13.829 1.00 0.00 O ATOM 0 H GLU A 118 -0.944 0.296 12.961 1.00 0.00 H new ATOM 0 HA GLU A 118 -2.442 -1.917 13.878 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -3.145 0.473 14.095 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -3.434 0.528 12.367 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -4.912 -1.662 12.882 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -4.947 -0.995 14.502 1.00 0.00 H new ATOM 1802 N LYS A 119 -2.299 -1.429 10.576 1.00 0.00 N ATOM 1803 CA LYS A 119 -2.643 -2.073 9.312 1.00 0.00 C ATOM 1804 C LYS A 119 -1.856 -3.376 9.219 1.00 0.00 C ATOM 1805 O LYS A 119 -2.468 -4.390 8.883 1.00 0.00 O ATOM 1806 CB LYS A 119 -2.481 -1.169 8.074 1.00 0.00 C ATOM 1807 CG LYS A 119 -2.646 0.342 8.307 1.00 0.00 C ATOM 1808 CD LYS A 119 -3.985 0.767 8.938 1.00 0.00 C ATOM 1809 CE LYS A 119 -3.882 2.242 9.335 1.00 0.00 C ATOM 1810 NZ LYS A 119 -4.786 2.625 10.433 1.00 0.00 N ATOM 0 H LYS A 119 -1.774 -0.558 10.495 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.711 -2.289 9.310 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -1.492 -1.344 7.650 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -3.209 -1.481 7.325 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -1.835 0.685 8.950 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -2.534 0.855 7.352 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.802 0.620 8.231 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -4.205 0.153 9.811 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -2.855 2.459 9.629 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -4.101 2.860 8.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -4.359 3.400 10.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -5.696 2.939 10.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -4.942 1.807 11.056 1.00 0.00 H new ATOM 1824 N LEU A 120 -0.565 -3.370 9.594 1.00 0.00 N ATOM 1825 CA LEU A 120 0.231 -4.594 9.691 1.00 0.00 C ATOM 1826 C LEU A 120 -0.449 -5.593 10.624 1.00 0.00 C ATOM 1827 O LEU A 120 -0.681 -6.718 10.209 1.00 0.00 O ATOM 1828 CB LEU A 120 1.685 -4.340 10.143 1.00 0.00 C ATOM 1829 CG LEU A 120 2.597 -3.643 9.118 1.00 0.00 C ATOM 1830 CD1 LEU A 120 4.028 -3.528 9.652 1.00 0.00 C ATOM 1831 CD2 LEU A 120 2.646 -4.355 7.761 1.00 0.00 C ATOM 0 H LEU A 120 -0.053 -2.522 9.835 1.00 0.00 H new ATOM 0 HA LEU A 120 0.288 -5.010 8.685 1.00 0.00 H new ATOM 0 HB2 LEU A 120 1.662 -3.736 11.050 1.00 0.00 H new ATOM 0 HB3 LEU A 120 2.135 -5.297 10.409 1.00 0.00 H new ATOM 0 HG LEU A 120 2.159 -2.656 8.966 1.00 0.00 H new ATOM 0 HD11 LEU A 120 4.654 -3.032 8.910 1.00 0.00 H new ATOM 0 HD12 LEU A 120 4.027 -2.946 10.574 1.00 0.00 H new ATOM 0 HD13 LEU A 120 4.423 -4.524 9.853 1.00 0.00 H new ATOM 0 HD21 LEU A 120 3.307 -3.810 7.088 1.00 0.00 H new ATOM 0 HD22 LEU A 120 3.022 -5.369 7.896 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.644 -4.393 7.334 1.00 0.00 H new ATOM 1843 N ASN A 121 -0.810 -5.208 11.849 1.00 0.00 N ATOM 1844 CA ASN A 121 -1.472 -6.078 12.819 1.00 0.00 C ATOM 1845 C ASN A 121 -2.731 -6.707 12.229 1.00 0.00 C ATOM 1846 O ASN A 121 -2.932 -7.916 12.343 1.00 0.00 O ATOM 1847 CB ASN A 121 -1.835 -5.300 14.092 1.00 0.00 C ATOM 1848 CG ASN A 121 -2.569 -6.211 15.065 1.00 0.00 C ATOM 1849 OD1 ASN A 121 -3.797 -6.285 15.067 1.00 0.00 O ATOM 1850 ND2 ASN A 121 -1.842 -6.935 15.895 1.00 0.00 N ATOM 0 H ASN A 121 -0.647 -4.264 12.200 1.00 0.00 H new ATOM 0 HA ASN A 121 -0.771 -6.873 13.074 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -0.932 -4.908 14.559 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -2.461 -4.444 13.839 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -2.297 -7.569 16.552 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -0.825 -6.861 15.880 1.00 0.00 H new ATOM 1857 N LYS A 122 -3.572 -5.892 11.587 1.00 0.00 N ATOM 1858 CA LYS A 122 -4.790 -6.358 10.947 1.00 0.00 C ATOM 1859 C LYS A 122 -4.457 -7.443 9.939 1.00 0.00 C ATOM 1860 O LYS A 122 -4.920 -8.558 10.122 1.00 0.00 O ATOM 1861 CB LYS A 122 -5.593 -5.197 10.340 1.00 0.00 C ATOM 1862 CG LYS A 122 -6.376 -4.469 11.446 1.00 0.00 C ATOM 1863 CD LYS A 122 -7.309 -3.380 10.912 1.00 0.00 C ATOM 1864 CE LYS A 122 -6.553 -2.151 10.402 1.00 0.00 C ATOM 1865 NZ LYS A 122 -7.446 -1.276 9.617 1.00 0.00 N ATOM 0 H LYS A 122 -3.420 -4.887 11.500 1.00 0.00 H new ATOM 0 HA LYS A 122 -5.442 -6.799 11.701 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -4.920 -4.500 9.839 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -6.281 -5.575 9.584 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -6.963 -5.198 12.006 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -5.671 -4.022 12.146 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -7.914 -3.790 10.104 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -7.996 -3.077 11.702 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -6.141 -1.596 11.245 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -5.711 -2.466 9.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -6.913 -0.449 9.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -7.819 -1.803 8.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -8.236 -0.960 10.215 1.00 0.00 H new ATOM 1879 N ILE A 123 -3.692 -7.170 8.884 1.00 0.00 N ATOM 1880 CA ILE A 123 -3.426 -8.174 7.846 1.00 0.00 C ATOM 1881 C ILE A 123 -2.562 -9.351 8.333 1.00 0.00 C ATOM 1882 O ILE A 123 -2.699 -10.472 7.822 1.00 0.00 O ATOM 1883 CB ILE A 123 -2.862 -7.495 6.581 1.00 0.00 C ATOM 1884 CG1 ILE A 123 -1.582 -6.658 6.852 1.00 0.00 C ATOM 1885 CG2 ILE A 123 -4.010 -6.719 5.912 1.00 0.00 C ATOM 1886 CD1 ILE A 123 -1.454 -5.313 6.122 1.00 0.00 C ATOM 0 H ILE A 123 -3.245 -6.267 8.722 1.00 0.00 H new ATOM 0 HA ILE A 123 -4.380 -8.633 7.586 1.00 0.00 H new ATOM 0 HB ILE A 123 -2.502 -8.249 5.881 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -1.524 -6.467 7.924 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -0.718 -7.268 6.590 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -3.641 -6.227 5.012 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.810 -7.410 5.645 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -4.394 -5.969 6.604 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -0.515 -4.835 6.402 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -1.469 -5.481 5.045 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -2.287 -4.667 6.400 1.00 0.00 H new ATOM 1898 N PHE A 124 -1.717 -9.138 9.340 1.00 0.00 N ATOM 1899 CA PHE A 124 -0.975 -10.208 9.983 1.00 0.00 C ATOM 1900 C PHE A 124 -1.955 -11.225 10.536 1.00 0.00 C ATOM 1901 O PHE A 124 -1.821 -12.414 10.276 1.00 0.00 O ATOM 1902 CB PHE A 124 -0.111 -9.686 11.136 1.00 0.00 C ATOM 1903 CG PHE A 124 1.237 -9.050 10.811 1.00 0.00 C ATOM 1904 CD1 PHE A 124 1.628 -8.727 9.493 1.00 0.00 C ATOM 1905 CD2 PHE A 124 2.128 -8.789 11.869 1.00 0.00 C ATOM 1906 CE1 PHE A 124 2.887 -8.155 9.241 1.00 0.00 C ATOM 1907 CE2 PHE A 124 3.382 -8.204 11.619 1.00 0.00 C ATOM 1908 CZ PHE A 124 3.763 -7.884 10.307 1.00 0.00 C ATOM 0 H PHE A 124 -1.531 -8.214 9.730 1.00 0.00 H new ATOM 0 HA PHE A 124 -0.319 -10.658 9.238 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -0.700 -8.950 11.684 1.00 0.00 H new ATOM 0 HB3 PHE A 124 0.071 -10.518 11.816 1.00 0.00 H new ATOM 0 HD1 PHE A 124 0.954 -8.921 8.672 1.00 0.00 H new ATOM 0 HD2 PHE A 124 1.846 -9.040 12.881 1.00 0.00 H new ATOM 0 HE1 PHE A 124 3.182 -7.924 8.228 1.00 0.00 H new ATOM 0 HE2 PHE A 124 4.054 -8.000 12.439 1.00 0.00 H new ATOM 0 HZ PHE A 124 4.725 -7.431 10.117 1.00 0.00 H new ATOM 1918 N GLU A 125 -2.949 -10.771 11.291 1.00 0.00 N ATOM 1919 CA GLU A 125 -3.937 -11.674 11.849 1.00 0.00 C ATOM 1920 C GLU A 125 -4.869 -12.181 10.747 1.00 0.00 C ATOM 1921 O GLU A 125 -5.142 -13.373 10.659 1.00 0.00 O ATOM 1922 CB GLU A 125 -4.737 -10.934 12.929 1.00 0.00 C ATOM 1923 CG GLU A 125 -3.906 -10.520 14.157 1.00 0.00 C ATOM 1924 CD GLU A 125 -4.165 -11.438 15.347 1.00 0.00 C ATOM 1925 OE1 GLU A 125 -3.583 -12.544 15.390 1.00 0.00 O ATOM 1926 OE2 GLU A 125 -4.975 -11.034 16.221 1.00 0.00 O ATOM 0 H GLU A 125 -3.088 -9.789 11.527 1.00 0.00 H new ATOM 0 HA GLU A 125 -3.437 -12.534 12.295 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -5.182 -10.042 12.488 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -5.558 -11.571 13.258 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -2.846 -10.542 13.904 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -4.147 -9.493 14.430 1.00 0.00 H new ATOM 1933 N LYS A 126 -5.393 -11.267 9.928 1.00 0.00 N ATOM 1934 CA LYS A 126 -6.567 -11.455 9.103 1.00 0.00 C ATOM 1935 C LYS A 126 -6.176 -12.284 7.888 1.00 0.00 C ATOM 1936 O LYS A 126 -6.684 -13.390 7.737 1.00 0.00 O ATOM 1937 CB LYS A 126 -7.172 -10.059 8.820 1.00 0.00 C ATOM 1938 CG LYS A 126 -8.654 -10.041 8.452 1.00 0.00 C ATOM 1939 CD LYS A 126 -8.927 -10.544 7.040 1.00 0.00 C ATOM 1940 CE LYS A 126 -8.890 -9.447 5.968 1.00 0.00 C ATOM 1941 NZ LYS A 126 -9.463 -9.909 4.685 1.00 0.00 N ATOM 0 H LYS A 126 -4.986 -10.338 9.824 1.00 0.00 H new ATOM 0 HA LYS A 126 -7.361 -12.026 9.585 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -7.028 -9.435 9.702 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -6.609 -9.597 8.008 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -9.206 -10.656 9.163 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -9.034 -9.024 8.548 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -8.191 -11.308 6.789 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -9.905 -11.025 7.019 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -9.444 -8.577 6.320 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -7.860 -9.127 5.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -9.419 -9.139 3.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -8.919 -10.724 4.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -10.454 -10.190 4.829 1.00 0.00 H new ATOM 1955 N LEU A 127 -5.320 -11.774 6.996 1.00 0.00 N ATOM 1956 CA LEU A 127 -4.823 -12.554 5.863 1.00 0.00 C ATOM 1957 C LEU A 127 -3.990 -13.715 6.399 1.00 0.00 C ATOM 1958 O LEU A 127 -4.111 -14.846 5.916 1.00 0.00 O ATOM 1959 CB LEU A 127 -3.997 -11.683 4.891 1.00 0.00 C ATOM 1960 CG LEU A 127 -4.636 -10.324 4.541 1.00 0.00 C ATOM 1961 CD1 LEU A 127 -3.901 -9.608 3.405 1.00 0.00 C ATOM 1962 CD2 LEU A 127 -6.111 -10.453 4.175 1.00 0.00 C ATOM 0 H LEU A 127 -4.958 -10.822 7.039 1.00 0.00 H new ATOM 0 HA LEU A 127 -5.670 -12.939 5.295 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -3.015 -11.505 5.329 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -3.838 -12.242 3.969 1.00 0.00 H new ATOM 0 HG LEU A 127 -4.549 -9.726 5.448 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -4.391 -8.657 3.198 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -2.867 -9.428 3.698 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -3.922 -10.229 2.510 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -6.514 -9.469 3.937 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -6.215 -11.107 3.309 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -6.659 -10.876 5.017 1.00 0.00 H new ATOM 1974 N GLY A 128 -3.180 -13.437 7.420 1.00 0.00 N ATOM 1975 CA GLY A 128 -2.290 -14.385 8.065 1.00 0.00 C ATOM 1976 C GLY A 128 -0.838 -13.956 7.881 1.00 0.00 C ATOM 1977 O GLY A 128 0.035 -14.824 7.945 1.00 0.00 O ATOM 0 H GLY A 128 -3.128 -12.506 7.833 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -2.525 -14.451 9.127 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -2.439 -15.379 7.644 1.00 0.00 H new ATOM 1981 N MET A 129 -0.567 -12.683 7.535 1.00 0.00 N ATOM 1982 CA MET A 129 0.765 -12.373 7.010 1.00 0.00 C ATOM 1983 C MET A 129 1.831 -12.430 8.085 1.00 0.00 C ATOM 1984 O MET A 129 2.960 -12.829 7.737 1.00 0.00 O ATOM 1985 CB MET A 129 0.897 -11.112 6.140 1.00 0.00 C ATOM 1986 CG MET A 129 -0.284 -10.172 6.004 1.00 0.00 C ATOM 1987 SD MET A 129 -0.150 -9.028 4.605 1.00 0.00 S ATOM 1988 CE MET A 129 -0.400 -10.193 3.243 1.00 0.00 C ATOM 1989 OXT MET A 129 1.596 -12.052 9.249 1.00 0.00 O ATOM 0 H MET A 129 -1.214 -11.897 7.605 1.00 0.00 H new ATOM 0 HA MET A 129 0.935 -13.181 6.299 1.00 0.00 H new ATOM 0 HB2 MET A 129 1.733 -10.532 6.531 1.00 0.00 H new ATOM 0 HB3 MET A 129 1.175 -11.435 5.137 1.00 0.00 H new ATOM 0 HG2 MET A 129 -1.195 -10.761 5.894 1.00 0.00 H new ATOM 0 HG3 MET A 129 -0.386 -9.596 6.924 1.00 0.00 H new ATOM 0 HE1 MET A 129 -1.067 -9.750 2.503 1.00 0.00 H new ATOM 0 HE2 MET A 129 0.559 -10.419 2.777 1.00 0.00 H new ATOM 0 HE3 MET A 129 -0.843 -11.112 3.627 1.00 0.00 H new TER 1999 MET A 129