USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 877 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 63 TYR OH : rot -34:sc= 0.624 USER MOD Set 1.2: A 65 CYS SG : rot 180:sc= 0.294 USER MOD Set 1.3: A 67 ASN : amide:sc= -1.26 X(o=-0.34,f=-0.38) USER MOD Set 1.4: A 68 LYS NZ :NH3+ -115:sc= 0 (180deg=0) USER MOD Set 2.1: A 56 ASN : amide:sc= -1.23 K(o=-2.7,f=-4.3) USER MOD Set 2.2: A 78 ASN : amide:sc= -1.43 K(o=-2.7,f=-2.1) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl -113:sc= -0.709 (180deg=-2.18!) USER MOD Single : A 10 ASN : amide:sc= -0.449 K(o=-0.45,f=-1.2) USER MOD Single : A 11 CYS SG : rot -58:sc= 0.763 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot -35:sc= 0.938 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -165:sc= 0.214 (180deg=0.133) USER MOD Single : A 33 ASN : amide:sc= -0.26 K(o=-0.26,f=-3.8!) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.716 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 169:sc= -0.525 (180deg=-0.865) USER MOD Single : A 45 ASN : amide:sc= -1.02 K(o=-1,f=-7.1!) USER MOD Single : A 58 CYS SG : rot 92:sc= -0.332 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 75 CYS SG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 86:sc= 0.17 USER MOD Single : A 87 TYR OH : rot -17:sc= -0.179 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 170:sc=-0.00554 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.173 USER MOD Single : A 109 HIS : no HD1:sc= -0.765 X(o=-0.77,f=-1.1) USER MOD Single : A 111 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 2.459 -1.101 -1.398 1.00 61.14 N ATOM 19 CA ALA A 2 2.864 -2.428 -1.847 1.00 0.41 C ATOM 20 C ALA A 2 2.556 -3.482 -0.790 1.00 35.43 C ATOM 21 O ALA A 2 1.588 -4.233 -0.912 1.00 73.22 O ATOM 22 CB ALA A 2 4.346 -2.439 -2.190 1.00 23.12 C ATOM 0 HA ALA A 2 2.293 -2.672 -2.743 1.00 0.41 H new ATOM 0 HB1 ALA A 2 4.635 -3.436 -2.524 1.00 23.12 H new ATOM 0 HB2 ALA A 2 4.541 -1.719 -2.985 1.00 23.12 H new ATOM 0 HB3 ALA A 2 4.926 -2.170 -1.307 1.00 23.12 H new ATOM 28 N SER A 3 3.385 -3.534 0.248 1.00 73.02 N ATOM 29 CA SER A 3 3.203 -4.500 1.324 1.00 33.55 C ATOM 30 C SER A 3 1.966 -4.165 2.153 1.00 42.43 C ATOM 31 O SER A 3 1.442 -3.054 2.084 1.00 50.23 O ATOM 32 CB SER A 3 4.440 -4.533 2.224 1.00 12.51 C ATOM 33 OG SER A 3 5.449 -5.362 1.675 1.00 74.25 O ATOM 0 H SER A 3 4.189 -2.918 0.366 1.00 73.02 H new ATOM 0 HA SER A 3 3.063 -5.483 0.875 1.00 33.55 H new ATOM 0 HB2 SER A 3 4.826 -3.522 2.353 1.00 12.51 H new ATOM 0 HB3 SER A 3 4.164 -4.898 3.213 1.00 12.51 H new ATOM 0 HG SER A 3 6.229 -5.364 2.268 1.00 74.25 H new ATOM 39 N GLY A 4 1.505 -5.135 2.937 1.00 41.44 N ATOM 40 CA GLY A 4 0.334 -4.924 3.767 1.00 11.52 C ATOM 41 C GLY A 4 -0.839 -4.367 2.985 1.00 71.23 C ATOM 42 O GLY A 4 -1.462 -3.390 3.398 1.00 2.33 O ATOM 0 H GLY A 4 1.922 -6.063 3.012 1.00 41.44 H new ATOM 0 HA2 GLY A 4 0.044 -5.868 4.227 1.00 11.52 H new ATOM 0 HA3 GLY A 4 0.585 -4.239 4.577 1.00 11.52 H new ATOM 46 N MET A 5 -1.140 -4.990 1.850 1.00 33.21 N ATOM 47 CA MET A 5 -2.247 -4.550 1.008 1.00 64.53 C ATOM 48 C MET A 5 -3.528 -4.411 1.823 1.00 75.33 C ATOM 49 O MET A 5 -3.715 -5.098 2.826 1.00 31.02 O ATOM 50 CB MET A 5 -2.464 -5.536 -0.142 1.00 24.53 C ATOM 51 CG MET A 5 -1.185 -5.904 -0.876 1.00 62.45 C ATOM 52 SD MET A 5 -0.690 -7.615 -0.595 1.00 60.35 S ATOM 53 CE MET A 5 0.884 -7.382 0.227 1.00 42.15 C ATOM 0 H MET A 5 -0.634 -5.800 1.492 1.00 33.21 H new ATOM 0 HA MET A 5 -1.992 -3.573 0.596 1.00 64.53 H new ATOM 0 HB2 MET A 5 -2.922 -6.444 0.250 1.00 24.53 H new ATOM 0 HB3 MET A 5 -3.169 -5.104 -0.852 1.00 24.53 H new ATOM 0 HG2 MET A 5 -1.324 -5.741 -1.945 1.00 62.45 H new ATOM 0 HG3 MET A 5 -0.382 -5.240 -0.554 1.00 62.45 H new ATOM 0 HE1 MET A 5 1.687 -7.743 -0.416 1.00 42.15 H new ATOM 0 HE2 MET A 5 1.033 -6.322 0.433 1.00 42.15 H new ATOM 0 HE3 MET A 5 0.891 -7.939 1.164 1.00 42.15 H new ATOM 63 N GLY A 6 -4.410 -3.517 1.384 1.00 64.20 N ATOM 64 CA GLY A 6 -5.662 -3.304 2.085 1.00 32.41 C ATOM 65 C GLY A 6 -6.865 -3.721 1.262 1.00 32.13 C ATOM 66 O GLY A 6 -7.389 -2.935 0.473 1.00 12.10 O ATOM 0 H GLY A 6 -4.279 -2.937 0.555 1.00 64.20 H new ATOM 0 HA2 GLY A 6 -5.652 -3.866 3.019 1.00 32.41 H new ATOM 0 HA3 GLY A 6 -5.753 -2.250 2.348 1.00 32.41 H new ATOM 70 N VAL A 7 -7.304 -4.962 1.445 1.00 70.50 N ATOM 71 CA VAL A 7 -8.453 -5.483 0.713 1.00 45.21 C ATOM 72 C VAL A 7 -9.753 -4.880 1.231 1.00 54.33 C ATOM 73 O VAL A 7 -10.248 -5.261 2.292 1.00 65.32 O ATOM 74 CB VAL A 7 -8.535 -7.018 0.815 1.00 43.51 C ATOM 75 CG1 VAL A 7 -7.450 -7.668 -0.030 1.00 4.22 C ATOM 76 CG2 VAL A 7 -8.430 -7.461 2.266 1.00 24.02 C ATOM 0 H VAL A 7 -6.881 -5.626 2.094 1.00 70.50 H new ATOM 0 HA VAL A 7 -8.317 -5.203 -0.332 1.00 45.21 H new ATOM 0 HB VAL A 7 -9.503 -7.340 0.430 1.00 43.51 H new ATOM 0 HG11 VAL A 7 -7.524 -8.752 0.055 1.00 4.22 H new ATOM 0 HG12 VAL A 7 -7.577 -7.376 -1.072 1.00 4.22 H new ATOM 0 HG13 VAL A 7 -6.471 -7.342 0.322 1.00 4.22 H new ATOM 0 HG21 VAL A 7 -8.490 -8.548 2.320 1.00 24.02 H new ATOM 0 HG22 VAL A 7 -7.478 -7.129 2.680 1.00 24.02 H new ATOM 0 HG23 VAL A 7 -9.247 -7.024 2.840 1.00 24.02 H new ATOM 86 N ASP A 8 -10.304 -3.936 0.474 1.00 23.44 N ATOM 87 CA ASP A 8 -11.549 -3.281 0.856 1.00 52.43 C ATOM 88 C ASP A 8 -12.744 -3.953 0.187 1.00 32.24 C ATOM 89 O ASP A 8 -12.584 -4.741 -0.744 1.00 44.44 O ATOM 90 CB ASP A 8 -11.506 -1.799 0.480 1.00 51.34 C ATOM 91 CG ASP A 8 -12.252 -0.928 1.472 1.00 44.34 C ATOM 92 OD1 ASP A 8 -13.107 -1.464 2.207 1.00 52.02 O ATOM 93 OD2 ASP A 8 -11.979 0.290 1.513 1.00 1.04 O ATOM 0 H ASP A 8 -9.908 -3.608 -0.407 1.00 23.44 H new ATOM 0 HA ASP A 8 -11.662 -3.371 1.936 1.00 52.43 H new ATOM 0 HB2 ASP A 8 -10.468 -1.472 0.422 1.00 51.34 H new ATOM 0 HB3 ASP A 8 -11.938 -1.666 -0.512 1.00 51.34 H new ATOM 98 N GLU A 9 -13.942 -3.637 0.671 1.00 24.41 N ATOM 99 CA GLU A 9 -15.163 -4.213 0.121 1.00 71.40 C ATOM 100 C GLU A 9 -15.367 -3.775 -1.326 1.00 72.45 C ATOM 101 O GLU A 9 -16.184 -4.345 -2.049 1.00 63.20 O ATOM 102 CB GLU A 9 -16.372 -3.803 0.965 1.00 62.22 C ATOM 103 CG GLU A 9 -16.423 -2.316 1.272 1.00 51.00 C ATOM 104 CD GLU A 9 -17.841 -1.783 1.339 1.00 50.32 C ATOM 105 OE1 GLU A 9 -18.718 -2.496 1.871 1.00 42.43 O ATOM 106 OE2 GLU A 9 -18.074 -0.654 0.859 1.00 11.54 O ATOM 0 H GLU A 9 -14.092 -2.986 1.442 1.00 24.41 H new ATOM 0 HA GLU A 9 -15.065 -5.298 0.144 1.00 71.40 H new ATOM 0 HB2 GLU A 9 -17.284 -4.089 0.441 1.00 62.22 H new ATOM 0 HB3 GLU A 9 -16.355 -4.359 1.903 1.00 62.22 H new ATOM 0 HG2 GLU A 9 -15.923 -2.127 2.222 1.00 51.00 H new ATOM 0 HG3 GLU A 9 -15.870 -1.772 0.507 1.00 51.00 H new ATOM 113 N ASN A 10 -14.619 -2.759 -1.742 1.00 10.50 N ATOM 114 CA ASN A 10 -14.718 -2.242 -3.102 1.00 71.54 C ATOM 115 C ASN A 10 -14.277 -3.293 -4.116 1.00 64.54 C ATOM 116 O ASN A 10 -15.051 -3.696 -4.985 1.00 61.33 O ATOM 117 CB ASN A 10 -13.866 -0.981 -3.255 1.00 11.11 C ATOM 118 CG ASN A 10 -14.388 0.174 -2.422 1.00 32.44 C ATOM 119 OD1 ASN A 10 -13.721 0.638 -1.497 1.00 70.01 O ATOM 120 ND2 ASN A 10 -15.588 0.642 -2.746 1.00 45.52 N ATOM 0 H ASN A 10 -13.937 -2.277 -1.157 1.00 10.50 H new ATOM 0 HA ASN A 10 -15.761 -1.992 -3.294 1.00 71.54 H new ATOM 0 HB2 ASN A 10 -12.839 -1.202 -2.962 1.00 11.11 H new ATOM 0 HB3 ASN A 10 -13.842 -0.687 -4.304 1.00 11.11 H new ATOM 0 HD21 ASN A 10 -15.992 1.417 -2.220 1.00 45.52 H new ATOM 0 HD22 ASN A 10 -16.105 0.227 -3.521 1.00 45.52 H new ATOM 127 N CYS A 11 -13.029 -3.733 -3.999 1.00 22.33 N ATOM 128 CA CYS A 11 -12.483 -4.738 -4.905 1.00 54.31 C ATOM 129 C CYS A 11 -13.468 -5.886 -5.099 1.00 62.43 C ATOM 130 O CYS A 11 -13.501 -6.518 -6.156 1.00 2.23 O ATOM 131 CB CYS A 11 -11.156 -5.273 -4.367 1.00 22.21 C ATOM 132 SG CYS A 11 -11.330 -6.422 -2.982 1.00 33.32 S ATOM 0 H CYS A 11 -12.376 -3.410 -3.285 1.00 22.33 H new ATOM 0 HA CYS A 11 -12.309 -4.265 -5.871 1.00 54.31 H new ATOM 0 HB2 CYS A 11 -10.624 -5.774 -5.176 1.00 22.21 H new ATOM 0 HB3 CYS A 11 -10.538 -4.432 -4.052 1.00 22.21 H new ATOM 0 HG CYS A 11 -11.971 -5.839 -2.013 1.00 33.32 H new ATOM 138 N VAL A 12 -14.268 -6.153 -4.072 1.00 21.40 N ATOM 139 CA VAL A 12 -15.253 -7.227 -4.129 1.00 51.20 C ATOM 140 C VAL A 12 -16.392 -6.877 -5.080 1.00 71.32 C ATOM 141 O VAL A 12 -16.694 -7.630 -6.006 1.00 12.40 O ATOM 142 CB VAL A 12 -15.837 -7.528 -2.736 1.00 5.33 C ATOM 143 CG1 VAL A 12 -16.929 -8.581 -2.830 1.00 74.44 C ATOM 144 CG2 VAL A 12 -14.737 -7.972 -1.783 1.00 31.21 C ATOM 0 H VAL A 12 -14.254 -5.640 -3.190 1.00 21.40 H new ATOM 0 HA VAL A 12 -14.735 -8.113 -4.497 1.00 51.20 H new ATOM 0 HB VAL A 12 -16.281 -6.614 -2.342 1.00 5.33 H new ATOM 0 HG11 VAL A 12 -17.329 -8.780 -1.836 1.00 74.44 H new ATOM 0 HG12 VAL A 12 -17.728 -8.220 -3.477 1.00 74.44 H new ATOM 0 HG13 VAL A 12 -16.514 -9.500 -3.245 1.00 74.44 H new ATOM 0 HG21 VAL A 12 -15.167 -8.181 -0.803 1.00 31.21 H new ATOM 0 HG22 VAL A 12 -14.262 -8.873 -2.170 1.00 31.21 H new ATOM 0 HG23 VAL A 12 -13.993 -7.180 -1.692 1.00 31.21 H new ATOM 154 N ALA A 13 -17.021 -5.730 -4.845 1.00 62.14 N ATOM 155 CA ALA A 13 -18.125 -5.279 -5.683 1.00 32.11 C ATOM 156 C ALA A 13 -17.764 -5.367 -7.162 1.00 12.32 C ATOM 157 O ALA A 13 -18.625 -5.610 -8.007 1.00 53.34 O ATOM 158 CB ALA A 13 -18.518 -3.855 -5.317 1.00 22.41 C ATOM 0 H ALA A 13 -16.785 -5.096 -4.081 1.00 62.14 H new ATOM 0 HA ALA A 13 -18.976 -5.936 -5.504 1.00 32.11 H new ATOM 0 HB1 ALA A 13 -19.344 -3.531 -5.951 1.00 22.41 H new ATOM 0 HB2 ALA A 13 -18.827 -3.820 -4.272 1.00 22.41 H new ATOM 0 HB3 ALA A 13 -17.665 -3.193 -5.465 1.00 22.41 H new ATOM 164 N ARG A 14 -16.486 -5.167 -7.467 1.00 53.50 N ATOM 165 CA ARG A 14 -16.012 -5.221 -8.845 1.00 32.14 C ATOM 166 C ARG A 14 -16.057 -6.650 -9.379 1.00 4.23 C ATOM 167 O ARG A 14 -16.686 -6.922 -10.401 1.00 33.30 O ATOM 168 CB ARG A 14 -14.586 -4.675 -8.938 1.00 14.52 C ATOM 169 CG ARG A 14 -14.332 -3.480 -8.033 1.00 25.43 C ATOM 170 CD ARG A 14 -15.414 -2.423 -8.187 1.00 63.22 C ATOM 171 NE ARG A 14 -15.989 -2.037 -6.902 1.00 1.23 N ATOM 172 CZ ARG A 14 -17.085 -1.297 -6.780 1.00 12.32 C ATOM 173 NH1 ARG A 14 -17.722 -0.866 -7.860 1.00 43.22 N ATOM 174 NH2 ARG A 14 -17.547 -0.987 -5.575 1.00 54.43 N ATOM 0 H ARG A 14 -15.760 -4.966 -6.779 1.00 53.50 H new ATOM 0 HA ARG A 14 -16.671 -4.602 -9.454 1.00 32.14 H new ATOM 0 HB2 ARG A 14 -13.884 -5.469 -8.683 1.00 14.52 H new ATOM 0 HB3 ARG A 14 -14.382 -4.389 -9.970 1.00 14.52 H new ATOM 0 HG2 ARG A 14 -14.290 -3.811 -6.995 1.00 25.43 H new ATOM 0 HG3 ARG A 14 -13.361 -3.045 -8.268 1.00 25.43 H new ATOM 0 HD2 ARG A 14 -14.994 -1.543 -8.675 1.00 63.22 H new ATOM 0 HD3 ARG A 14 -16.202 -2.803 -8.837 1.00 63.22 H new ATOM 0 HE ARG A 14 -15.523 -2.353 -6.051 1.00 1.23 H new ATOM 0 HH11 ARG A 14 -17.371 -1.103 -8.788 1.00 43.22 H new ATOM 0 HH12 ARG A 14 -18.564 -0.298 -7.763 1.00 43.22 H new ATOM 0 HH21 ARG A 14 -17.060 -1.317 -4.742 1.00 54.43 H new ATOM 0 HH22 ARG A 14 -18.389 -0.419 -5.482 1.00 54.43 H new ATOM 188 N PHE A 15 -15.384 -7.558 -8.680 1.00 64.23 N ATOM 189 CA PHE A 15 -15.345 -8.959 -9.085 1.00 3.33 C ATOM 190 C PHE A 15 -16.755 -9.530 -9.204 1.00 2.23 C ATOM 191 O PHE A 15 -16.997 -10.459 -9.973 1.00 43.42 O ATOM 192 CB PHE A 15 -14.533 -9.779 -8.080 1.00 71.31 C ATOM 193 CG PHE A 15 -15.355 -10.783 -7.323 1.00 61.00 C ATOM 194 CD1 PHE A 15 -15.688 -11.999 -7.897 1.00 32.43 C ATOM 195 CD2 PHE A 15 -15.795 -10.510 -6.038 1.00 4.13 C ATOM 196 CE1 PHE A 15 -16.444 -12.925 -7.203 1.00 30.44 C ATOM 197 CE2 PHE A 15 -16.550 -11.432 -5.339 1.00 32.13 C ATOM 198 CZ PHE A 15 -16.876 -12.641 -5.922 1.00 54.22 C ATOM 0 H PHE A 15 -14.859 -7.349 -7.831 1.00 64.23 H new ATOM 0 HA PHE A 15 -14.866 -9.016 -10.062 1.00 3.33 H new ATOM 0 HB2 PHE A 15 -13.734 -10.300 -8.609 1.00 71.31 H new ATOM 0 HB3 PHE A 15 -14.057 -9.102 -7.371 1.00 71.31 H new ATOM 0 HD1 PHE A 15 -15.353 -12.226 -8.898 1.00 32.43 H new ATOM 0 HD2 PHE A 15 -15.545 -9.566 -5.577 1.00 4.13 H new ATOM 0 HE1 PHE A 15 -16.697 -13.870 -7.662 1.00 30.44 H new ATOM 0 HE2 PHE A 15 -16.885 -11.208 -4.337 1.00 32.13 H new ATOM 0 HZ PHE A 15 -17.467 -13.363 -5.378 1.00 54.22 H new ATOM 208 N ASN A 16 -17.682 -8.967 -8.435 1.00 45.21 N ATOM 209 CA ASN A 16 -19.068 -9.420 -8.453 1.00 4.01 C ATOM 210 C ASN A 16 -19.802 -8.875 -9.674 1.00 35.21 C ATOM 211 O ASN A 16 -20.836 -9.408 -10.077 1.00 23.10 O ATOM 212 CB ASN A 16 -19.785 -8.982 -7.174 1.00 74.45 C ATOM 213 CG ASN A 16 -21.121 -9.678 -6.994 1.00 51.25 C ATOM 214 OD1 ASN A 16 -21.178 -10.848 -6.617 1.00 72.21 O ATOM 215 ND2 ASN A 16 -22.204 -8.958 -7.265 1.00 22.01 N ATOM 0 H ASN A 16 -17.498 -8.197 -7.792 1.00 45.21 H new ATOM 0 HA ASN A 16 -19.069 -10.509 -8.507 1.00 4.01 H new ATOM 0 HB2 ASN A 16 -19.150 -9.193 -6.314 1.00 74.45 H new ATOM 0 HB3 ASN A 16 -19.940 -7.903 -7.199 1.00 74.45 H new ATOM 0 HD21 ASN A 16 -23.130 -9.372 -7.163 1.00 22.01 H new ATOM 0 HD22 ASN A 16 -22.109 -7.991 -7.575 1.00 22.01 H new ATOM 222 N GLU A 17 -19.261 -7.811 -10.258 1.00 2.23 N ATOM 223 CA GLU A 17 -19.866 -7.194 -11.433 1.00 24.24 C ATOM 224 C GLU A 17 -19.729 -8.100 -12.653 1.00 55.12 C ATOM 225 O GLU A 17 -20.716 -8.416 -13.319 1.00 53.34 O ATOM 226 CB GLU A 17 -19.216 -5.838 -11.715 1.00 55.24 C ATOM 227 CG GLU A 17 -19.469 -4.804 -10.631 1.00 31.12 C ATOM 228 CD GLU A 17 -20.040 -3.511 -11.179 1.00 41.31 C ATOM 229 OE1 GLU A 17 -19.248 -2.663 -11.643 1.00 73.53 O ATOM 230 OE2 GLU A 17 -21.277 -3.345 -11.144 1.00 30.50 O ATOM 0 H GLU A 17 -18.405 -7.358 -9.937 1.00 2.23 H new ATOM 0 HA GLU A 17 -20.926 -7.045 -11.230 1.00 24.24 H new ATOM 0 HB2 GLU A 17 -18.141 -5.977 -11.829 1.00 55.24 H new ATOM 0 HB3 GLU A 17 -19.591 -5.456 -12.665 1.00 55.24 H new ATOM 0 HG2 GLU A 17 -20.158 -5.217 -9.894 1.00 31.12 H new ATOM 0 HG3 GLU A 17 -18.535 -4.592 -10.111 1.00 31.12 H new ATOM 237 N LEU A 18 -18.501 -8.514 -12.941 1.00 5.00 N ATOM 238 CA LEU A 18 -18.233 -9.383 -14.082 1.00 35.23 C ATOM 239 C LEU A 18 -18.805 -10.778 -13.849 1.00 25.33 C ATOM 240 O LEU A 18 -19.017 -11.540 -14.793 1.00 15.44 O ATOM 241 CB LEU A 18 -16.728 -9.472 -14.339 1.00 32.22 C ATOM 242 CG LEU A 18 -15.867 -9.885 -13.145 1.00 23.30 C ATOM 243 CD1 LEU A 18 -15.125 -11.179 -13.444 1.00 44.53 C ATOM 244 CD2 LEU A 18 -14.887 -8.777 -12.785 1.00 75.42 C ATOM 0 H LEU A 18 -17.674 -8.262 -12.400 1.00 5.00 H new ATOM 0 HA LEU A 18 -18.719 -8.952 -14.958 1.00 35.23 H new ATOM 0 HB2 LEU A 18 -16.559 -10.184 -15.147 1.00 32.22 H new ATOM 0 HB3 LEU A 18 -16.382 -8.501 -14.692 1.00 32.22 H new ATOM 0 HG LEU A 18 -16.522 -10.055 -12.291 1.00 23.30 H new ATOM 0 HD11 LEU A 18 -14.517 -11.457 -12.583 1.00 44.53 H new ATOM 0 HD12 LEU A 18 -15.844 -11.971 -13.652 1.00 44.53 H new ATOM 0 HD13 LEU A 18 -14.481 -11.037 -14.312 1.00 44.53 H new ATOM 0 HD21 LEU A 18 -14.283 -9.088 -11.933 1.00 75.42 H new ATOM 0 HD22 LEU A 18 -14.237 -8.575 -13.637 1.00 75.42 H new ATOM 0 HD23 LEU A 18 -15.439 -7.873 -12.527 1.00 75.42 H new ATOM 256 N LYS A 19 -19.053 -11.107 -12.585 1.00 44.15 N ATOM 257 CA LYS A 19 -19.603 -12.409 -12.227 1.00 4.20 C ATOM 258 C LYS A 19 -21.128 -12.375 -12.231 1.00 64.12 C ATOM 259 O LYS A 19 -21.779 -13.395 -12.458 1.00 14.13 O ATOM 260 CB LYS A 19 -19.095 -12.838 -10.848 1.00 52.33 C ATOM 261 CG LYS A 19 -17.611 -13.159 -10.819 1.00 71.45 C ATOM 262 CD LYS A 19 -17.362 -14.653 -10.946 1.00 2.00 C ATOM 263 CE LYS A 19 -17.549 -15.364 -9.614 1.00 62.05 C ATOM 264 NZ LYS A 19 -18.144 -16.718 -9.788 1.00 13.04 N ATOM 0 H LYS A 19 -18.882 -10.489 -11.792 1.00 44.15 H new ATOM 0 HA LYS A 19 -19.272 -13.133 -12.971 1.00 4.20 H new ATOM 0 HB2 LYS A 19 -19.300 -12.043 -10.131 1.00 52.33 H new ATOM 0 HB3 LYS A 19 -19.654 -13.715 -10.521 1.00 52.33 H new ATOM 0 HG2 LYS A 19 -17.108 -12.635 -11.632 1.00 71.45 H new ATOM 0 HG3 LYS A 19 -17.177 -12.794 -9.888 1.00 71.45 H new ATOM 0 HD2 LYS A 19 -18.044 -15.075 -11.684 1.00 2.00 H new ATOM 0 HD3 LYS A 19 -16.350 -14.825 -11.312 1.00 2.00 H new ATOM 0 HE2 LYS A 19 -16.586 -15.452 -9.111 1.00 62.05 H new ATOM 0 HE3 LYS A 19 -18.192 -14.765 -8.969 1.00 62.05 H new ATOM 0 HZ1 LYS A 19 -18.256 -17.170 -8.858 1.00 13.04 H new ATOM 0 HZ2 LYS A 19 -19.074 -16.632 -10.245 1.00 13.04 H new ATOM 0 HZ3 LYS A 19 -17.518 -17.298 -10.382 1.00 13.04 H new ATOM 278 N ILE A 20 -21.689 -11.197 -11.981 1.00 35.31 N ATOM 279 CA ILE A 20 -23.137 -11.032 -11.959 1.00 14.42 C ATOM 280 C ILE A 20 -23.668 -10.652 -13.337 1.00 14.42 C ATOM 281 O ILE A 20 -24.786 -11.013 -13.704 1.00 35.21 O ATOM 282 CB ILE A 20 -23.566 -9.957 -10.942 1.00 24.12 C ATOM 283 CG1 ILE A 20 -25.062 -10.074 -10.643 1.00 42.45 C ATOM 284 CG2 ILE A 20 -23.231 -8.569 -11.466 1.00 0.41 C ATOM 285 CD1 ILE A 20 -25.369 -10.883 -9.403 1.00 13.41 C ATOM 0 H ILE A 20 -21.164 -10.344 -11.791 1.00 35.31 H new ATOM 0 HA ILE A 20 -23.559 -11.992 -11.661 1.00 14.42 H new ATOM 0 HB ILE A 20 -23.017 -10.116 -10.014 1.00 24.12 H new ATOM 0 HG12 ILE A 20 -25.480 -9.074 -10.527 1.00 42.45 H new ATOM 0 HG13 ILE A 20 -25.560 -10.531 -11.498 1.00 42.45 H new ATOM 0 HG21 ILE A 20 -23.540 -7.820 -10.737 1.00 0.41 H new ATOM 0 HG22 ILE A 20 -22.156 -8.492 -11.632 1.00 0.41 H new ATOM 0 HG23 ILE A 20 -23.756 -8.398 -12.406 1.00 0.41 H new ATOM 0 HD11 ILE A 20 -26.448 -10.924 -9.253 1.00 13.41 H new ATOM 0 HD12 ILE A 20 -24.981 -11.894 -9.523 1.00 13.41 H new ATOM 0 HD13 ILE A 20 -24.900 -10.415 -8.538 1.00 13.41 H new ATOM 297 N ARG A 21 -22.858 -9.921 -14.096 1.00 72.54 N ATOM 298 CA ARG A 21 -23.246 -9.493 -15.435 1.00 10.22 C ATOM 299 C ARG A 21 -22.606 -10.382 -16.497 1.00 51.21 C ATOM 300 O ARG A 21 -23.257 -10.781 -17.463 1.00 32.22 O ATOM 301 CB ARG A 21 -22.842 -8.035 -15.664 1.00 32.15 C ATOM 302 CG ARG A 21 -23.987 -7.051 -15.486 1.00 3.04 C ATOM 303 CD ARG A 21 -25.122 -7.335 -16.457 1.00 44.23 C ATOM 304 NE ARG A 21 -25.477 -6.156 -17.243 1.00 32.12 N ATOM 305 CZ ARG A 21 -26.265 -5.184 -16.795 1.00 24.52 C ATOM 306 NH1 ARG A 21 -26.775 -5.251 -15.573 1.00 53.20 N ATOM 307 NH2 ARG A 21 -26.542 -4.143 -17.569 1.00 71.54 N ATOM 0 H ARG A 21 -21.930 -9.613 -13.807 1.00 72.54 H new ATOM 0 HA ARG A 21 -24.329 -9.580 -15.518 1.00 10.22 H new ATOM 0 HB2 ARG A 21 -22.040 -7.776 -14.972 1.00 32.15 H new ATOM 0 HB3 ARG A 21 -22.439 -7.932 -16.672 1.00 32.15 H new ATOM 0 HG2 ARG A 21 -24.360 -7.106 -14.463 1.00 3.04 H new ATOM 0 HG3 ARG A 21 -23.622 -6.035 -15.638 1.00 3.04 H new ATOM 0 HD2 ARG A 21 -24.832 -8.144 -17.127 1.00 44.23 H new ATOM 0 HD3 ARG A 21 -25.996 -7.678 -15.903 1.00 44.23 H new ATOM 0 HE ARG A 21 -25.100 -6.074 -18.187 1.00 32.12 H new ATOM 0 HH11 ARG A 21 -26.563 -6.050 -14.975 1.00 53.20 H new ATOM 0 HH12 ARG A 21 -27.380 -4.504 -15.231 1.00 53.20 H new ATOM 0 HH21 ARG A 21 -26.150 -4.088 -18.509 1.00 71.54 H new ATOM 0 HH22 ARG A 21 -27.147 -3.398 -17.224 1.00 71.54 H new ATOM 321 N LYS A 22 -21.326 -10.688 -16.313 1.00 14.24 N ATOM 322 CA LYS A 22 -20.597 -11.530 -17.253 1.00 51.24 C ATOM 323 C LYS A 22 -20.752 -11.012 -18.680 1.00 31.31 C ATOM 324 O LYS A 22 -20.515 -11.740 -19.645 1.00 3.40 O ATOM 325 CB LYS A 22 -21.094 -12.975 -17.167 1.00 45.10 C ATOM 326 CG LYS A 22 -20.532 -13.741 -15.982 1.00 21.11 C ATOM 327 CD LYS A 22 -21.008 -15.184 -15.975 1.00 31.05 C ATOM 328 CE LYS A 22 -20.536 -15.920 -14.730 1.00 62.53 C ATOM 329 NZ LYS A 22 -19.304 -16.715 -14.990 1.00 64.24 N ATOM 0 H LYS A 22 -20.772 -10.365 -15.520 1.00 14.24 H new ATOM 0 HA LYS A 22 -19.541 -11.499 -16.986 1.00 51.24 H new ATOM 0 HB2 LYS A 22 -22.182 -12.973 -17.105 1.00 45.10 H new ATOM 0 HB3 LYS A 22 -20.828 -13.497 -18.086 1.00 45.10 H new ATOM 0 HG2 LYS A 22 -19.443 -13.716 -16.015 1.00 21.11 H new ATOM 0 HG3 LYS A 22 -20.834 -13.253 -15.055 1.00 21.11 H new ATOM 0 HD2 LYS A 22 -22.097 -15.209 -16.023 1.00 31.05 H new ATOM 0 HD3 LYS A 22 -20.637 -15.695 -16.864 1.00 31.05 H new ATOM 0 HE2 LYS A 22 -20.343 -15.201 -13.934 1.00 62.53 H new ATOM 0 HE3 LYS A 22 -21.327 -16.581 -14.377 1.00 62.53 H new ATOM 0 HZ1 LYS A 22 -19.014 -17.201 -14.118 1.00 64.24 H new ATOM 0 HZ2 LYS A 22 -19.495 -17.419 -15.732 1.00 64.24 H new ATOM 0 HZ3 LYS A 22 -18.541 -16.081 -15.302 1.00 64.24 H new ATOM 343 N THR A 23 -21.151 -9.750 -18.807 1.00 23.41 N ATOM 344 CA THR A 23 -21.337 -9.136 -20.115 1.00 42.31 C ATOM 345 C THR A 23 -20.172 -8.215 -20.461 1.00 11.13 C ATOM 346 O THR A 23 -20.142 -7.611 -21.533 1.00 61.01 O ATOM 347 CB THR A 23 -22.648 -8.330 -20.176 1.00 75.40 C ATOM 348 OG1 THR A 23 -22.808 -7.752 -21.476 1.00 12.40 O ATOM 349 CG2 THR A 23 -22.659 -7.233 -19.122 1.00 74.41 C ATOM 0 H THR A 23 -21.351 -9.134 -18.019 1.00 23.41 H new ATOM 0 HA THR A 23 -21.384 -9.948 -20.841 1.00 42.31 H new ATOM 0 HB THR A 23 -23.476 -9.010 -19.977 1.00 75.40 H new ATOM 0 HG1 THR A 23 -21.931 -7.499 -21.832 1.00 12.40 H new ATOM 0 HG21 THR A 23 -23.595 -6.678 -19.185 1.00 74.41 H new ATOM 0 HG22 THR A 23 -22.567 -7.679 -18.132 1.00 74.41 H new ATOM 0 HG23 THR A 23 -21.823 -6.555 -19.293 1.00 74.41 H new ATOM 357 N VAL A 24 -19.213 -8.112 -19.546 1.00 33.23 N ATOM 358 CA VAL A 24 -18.045 -7.266 -19.755 1.00 5.12 C ATOM 359 C VAL A 24 -18.188 -5.938 -19.019 1.00 35.50 C ATOM 360 O VAL A 24 -17.931 -4.873 -19.580 1.00 62.42 O ATOM 361 CB VAL A 24 -17.813 -6.988 -21.252 1.00 55.00 C ATOM 362 CG1 VAL A 24 -18.641 -5.796 -21.708 1.00 1.21 C ATOM 363 CG2 VAL A 24 -16.335 -6.759 -21.529 1.00 13.30 C ATOM 0 H VAL A 24 -19.223 -8.604 -18.653 1.00 33.23 H new ATOM 0 HA VAL A 24 -17.187 -7.808 -19.357 1.00 5.12 H new ATOM 0 HB VAL A 24 -18.134 -7.861 -21.820 1.00 55.00 H new ATOM 0 HG11 VAL A 24 -18.464 -5.614 -22.768 1.00 1.21 H new ATOM 0 HG12 VAL A 24 -19.699 -6.005 -21.547 1.00 1.21 H new ATOM 0 HG13 VAL A 24 -18.354 -4.914 -21.136 1.00 1.21 H new ATOM 0 HG21 VAL A 24 -16.190 -6.564 -22.592 1.00 13.30 H new ATOM 0 HG22 VAL A 24 -15.985 -5.903 -20.952 1.00 13.30 H new ATOM 0 HG23 VAL A 24 -15.769 -7.646 -21.242 1.00 13.30 H new ATOM 373 N LYS A 25 -18.602 -6.009 -17.758 1.00 65.11 N ATOM 374 CA LYS A 25 -18.779 -4.814 -16.942 1.00 43.44 C ATOM 375 C LYS A 25 -17.492 -3.996 -16.889 1.00 53.43 C ATOM 376 O LYS A 25 -17.524 -2.786 -16.662 1.00 20.33 O ATOM 377 CB LYS A 25 -19.210 -5.197 -15.525 1.00 74.43 C ATOM 378 CG LYS A 25 -19.821 -4.048 -14.743 1.00 1.50 C ATOM 379 CD LYS A 25 -21.265 -4.334 -14.366 1.00 41.24 C ATOM 380 CE LYS A 25 -22.137 -3.098 -14.523 1.00 12.44 C ATOM 381 NZ LYS A 25 -23.458 -3.263 -13.856 1.00 33.13 N ATOM 0 H LYS A 25 -18.821 -6.882 -17.279 1.00 65.11 H new ATOM 0 HA LYS A 25 -19.558 -4.205 -17.400 1.00 43.44 H new ATOM 0 HB2 LYS A 25 -19.932 -6.011 -15.582 1.00 74.43 H new ATOM 0 HB3 LYS A 25 -18.345 -5.576 -14.981 1.00 74.43 H new ATOM 0 HG2 LYS A 25 -19.237 -3.870 -13.840 1.00 1.50 H new ATOM 0 HG3 LYS A 25 -19.773 -3.136 -15.338 1.00 1.50 H new ATOM 0 HD2 LYS A 25 -21.654 -5.137 -14.993 1.00 41.24 H new ATOM 0 HD3 LYS A 25 -21.310 -4.684 -13.335 1.00 41.24 H new ATOM 0 HE2 LYS A 25 -21.623 -2.235 -14.101 1.00 12.44 H new ATOM 0 HE3 LYS A 25 -22.288 -2.893 -15.583 1.00 12.44 H new ATOM 0 HZ1 LYS A 25 -24.023 -2.399 -13.986 1.00 33.13 H new ATOM 0 HZ2 LYS A 25 -23.960 -4.071 -14.276 1.00 33.13 H new ATOM 0 HZ3 LYS A 25 -23.315 -3.434 -12.840 1.00 33.13 H new ATOM 395 N TRP A 26 -16.364 -4.662 -17.102 1.00 23.41 N ATOM 396 CA TRP A 26 -15.067 -3.996 -17.080 1.00 4.15 C ATOM 397 C TRP A 26 -14.987 -2.998 -15.929 1.00 71.15 C ATOM 398 O TRP A 26 -15.298 -1.818 -16.097 1.00 23.40 O ATOM 399 CB TRP A 26 -14.814 -3.282 -18.409 1.00 21.34 C ATOM 400 CG TRP A 26 -13.453 -3.550 -18.977 1.00 0.51 C ATOM 401 CD1 TRP A 26 -12.251 -3.257 -18.398 1.00 52.41 C ATOM 402 CD2 TRP A 26 -13.155 -4.162 -20.237 1.00 14.54 C ATOM 403 NE1 TRP A 26 -11.224 -3.650 -19.222 1.00 53.43 N ATOM 404 CE2 TRP A 26 -11.753 -4.208 -20.356 1.00 24.41 C ATOM 405 CE3 TRP A 26 -13.937 -4.676 -21.274 1.00 70.32 C ATOM 406 CZ2 TRP A 26 -11.118 -4.748 -21.472 1.00 33.24 C ATOM 407 CZ3 TRP A 26 -13.306 -5.211 -22.381 1.00 70.50 C ATOM 408 CH2 TRP A 26 -11.908 -5.245 -22.473 1.00 12.14 C ATOM 0 H TRP A 26 -16.321 -5.663 -17.292 1.00 23.41 H new ATOM 0 HA TRP A 26 -14.299 -4.755 -16.932 1.00 4.15 H new ATOM 0 HB2 TRP A 26 -15.569 -3.594 -19.131 1.00 21.34 H new ATOM 0 HB3 TRP A 26 -14.935 -2.208 -18.265 1.00 21.34 H new ATOM 0 HD1 TRP A 26 -12.126 -2.786 -17.434 1.00 52.41 H new ATOM 0 HE1 TRP A 26 -10.229 -3.544 -19.022 1.00 53.43 H new ATOM 0 HE3 TRP A 26 -15.015 -4.656 -21.212 1.00 70.32 H new ATOM 0 HZ2 TRP A 26 -10.041 -4.774 -21.545 1.00 33.24 H new ATOM 0 HZ3 TRP A 26 -13.901 -5.610 -23.189 1.00 70.50 H new ATOM 0 HH2 TRP A 26 -11.445 -5.672 -23.351 1.00 12.14 H new ATOM 419 N ILE A 27 -14.569 -3.478 -14.763 1.00 74.21 N ATOM 420 CA ILE A 27 -14.448 -2.627 -13.586 1.00 53.33 C ATOM 421 C ILE A 27 -12.997 -2.225 -13.346 1.00 12.44 C ATOM 422 O ILE A 27 -12.105 -3.072 -13.304 1.00 35.40 O ATOM 423 CB ILE A 27 -14.991 -3.327 -12.326 1.00 40.14 C ATOM 424 CG1 ILE A 27 -16.129 -4.280 -12.697 1.00 21.45 C ATOM 425 CG2 ILE A 27 -15.464 -2.298 -11.311 1.00 11.32 C ATOM 426 CD1 ILE A 27 -15.665 -5.691 -12.986 1.00 53.23 C ATOM 0 H ILE A 27 -14.308 -4.452 -14.608 1.00 74.21 H new ATOM 0 HA ILE A 27 -15.043 -1.734 -13.779 1.00 53.33 H new ATOM 0 HB ILE A 27 -14.187 -3.909 -11.876 1.00 40.14 H new ATOM 0 HG12 ILE A 27 -16.853 -4.304 -11.882 1.00 21.45 H new ATOM 0 HG13 ILE A 27 -16.648 -3.890 -13.573 1.00 21.45 H new ATOM 0 HG21 ILE A 27 -15.845 -2.808 -10.426 1.00 11.32 H new ATOM 0 HG22 ILE A 27 -14.630 -1.655 -11.029 1.00 11.32 H new ATOM 0 HG23 ILE A 27 -16.257 -1.692 -11.750 1.00 11.32 H new ATOM 0 HD11 ILE A 27 -16.524 -6.311 -13.242 1.00 53.23 H new ATOM 0 HD12 ILE A 27 -14.964 -5.680 -13.821 1.00 53.23 H new ATOM 0 HD13 ILE A 27 -15.172 -6.100 -12.104 1.00 53.23 H new ATOM 438 N VAL A 28 -12.768 -0.925 -13.186 1.00 24.12 N ATOM 439 CA VAL A 28 -11.425 -0.410 -12.946 1.00 1.10 C ATOM 440 C VAL A 28 -11.251 0.015 -11.492 1.00 63.51 C ATOM 441 O VAL A 28 -11.809 1.022 -11.057 1.00 34.42 O ATOM 442 CB VAL A 28 -11.112 0.790 -13.860 1.00 73.43 C ATOM 443 CG1 VAL A 28 -9.609 0.982 -13.993 1.00 54.44 C ATOM 444 CG2 VAL A 28 -11.757 0.601 -15.225 1.00 62.43 C ATOM 0 H VAL A 28 -13.495 -0.210 -13.218 1.00 24.12 H new ATOM 0 HA VAL A 28 -10.731 -1.220 -13.171 1.00 1.10 H new ATOM 0 HB VAL A 28 -11.530 1.689 -13.407 1.00 73.43 H new ATOM 0 HG11 VAL A 28 -9.407 1.834 -14.642 1.00 54.44 H new ATOM 0 HG12 VAL A 28 -9.177 1.165 -13.009 1.00 54.44 H new ATOM 0 HG13 VAL A 28 -9.164 0.085 -14.423 1.00 54.44 H new ATOM 0 HG21 VAL A 28 -11.526 1.458 -15.858 1.00 62.43 H new ATOM 0 HG22 VAL A 28 -11.370 -0.307 -15.688 1.00 62.43 H new ATOM 0 HG23 VAL A 28 -12.837 0.517 -15.108 1.00 62.43 H new ATOM 454 N PHE A 29 -10.472 -0.760 -10.745 1.00 25.24 N ATOM 455 CA PHE A 29 -10.223 -0.465 -9.338 1.00 74.13 C ATOM 456 C PHE A 29 -8.771 -0.054 -9.117 1.00 24.22 C ATOM 457 O PHE A 29 -7.865 -0.544 -9.792 1.00 2.41 O ATOM 458 CB PHE A 29 -10.559 -1.682 -8.473 1.00 44.12 C ATOM 459 CG PHE A 29 -9.797 -2.918 -8.857 1.00 72.40 C ATOM 460 CD1 PHE A 29 -8.464 -3.063 -8.508 1.00 72.43 C ATOM 461 CD2 PHE A 29 -10.415 -3.935 -9.567 1.00 64.52 C ATOM 462 CE1 PHE A 29 -7.761 -4.200 -8.860 1.00 23.23 C ATOM 463 CE2 PHE A 29 -9.716 -5.075 -9.921 1.00 14.41 C ATOM 464 CZ PHE A 29 -8.388 -5.207 -9.568 1.00 4.42 C ATOM 0 H PHE A 29 -10.002 -1.597 -11.090 1.00 25.24 H new ATOM 0 HA PHE A 29 -10.865 0.367 -9.048 1.00 74.13 H new ATOM 0 HB2 PHE A 29 -10.350 -1.445 -7.430 1.00 44.12 H new ATOM 0 HB3 PHE A 29 -11.627 -1.886 -8.546 1.00 44.12 H new ATOM 0 HD1 PHE A 29 -7.969 -2.279 -7.955 1.00 72.43 H new ATOM 0 HD2 PHE A 29 -11.453 -3.837 -9.847 1.00 64.52 H new ATOM 0 HE1 PHE A 29 -6.722 -4.301 -8.582 1.00 23.23 H new ATOM 0 HE2 PHE A 29 -10.209 -5.861 -10.473 1.00 14.41 H new ATOM 0 HZ PHE A 29 -7.840 -6.096 -9.845 1.00 4.42 H new ATOM 474 N LYS A 30 -8.556 0.849 -8.166 1.00 60.03 N ATOM 475 CA LYS A 30 -7.214 1.327 -7.853 1.00 55.13 C ATOM 476 C LYS A 30 -6.794 0.891 -6.453 1.00 55.42 C ATOM 477 O LYS A 30 -7.570 0.267 -5.729 1.00 21.51 O ATOM 478 CB LYS A 30 -7.156 2.852 -7.963 1.00 42.35 C ATOM 479 CG LYS A 30 -7.383 3.567 -6.642 1.00 62.34 C ATOM 480 CD LYS A 30 -8.017 4.932 -6.849 1.00 34.14 C ATOM 481 CE LYS A 30 -8.170 5.680 -5.533 1.00 43.12 C ATOM 482 NZ LYS A 30 -7.461 6.990 -5.555 1.00 22.54 N ATOM 0 H LYS A 30 -9.294 1.265 -7.598 1.00 60.03 H new ATOM 0 HA LYS A 30 -6.522 0.890 -8.573 1.00 55.13 H new ATOM 0 HB2 LYS A 30 -6.184 3.142 -8.361 1.00 42.35 H new ATOM 0 HB3 LYS A 30 -7.906 3.185 -8.680 1.00 42.35 H new ATOM 0 HG2 LYS A 30 -8.025 2.960 -6.004 1.00 62.34 H new ATOM 0 HG3 LYS A 30 -6.432 3.681 -6.121 1.00 62.34 H new ATOM 0 HD2 LYS A 30 -7.405 5.519 -7.533 1.00 34.14 H new ATOM 0 HD3 LYS A 30 -8.994 4.813 -7.317 1.00 34.14 H new ATOM 0 HE2 LYS A 30 -9.228 5.843 -5.329 1.00 43.12 H new ATOM 0 HE3 LYS A 30 -7.779 5.069 -4.720 1.00 43.12 H new ATOM 0 HZ1 LYS A 30 -7.369 7.351 -4.584 1.00 22.54 H new ATOM 0 HZ2 LYS A 30 -6.515 6.866 -5.970 1.00 22.54 H new ATOM 0 HZ3 LYS A 30 -8.003 7.669 -6.127 1.00 22.54 H new ATOM 496 N ILE A 31 -5.564 1.226 -6.078 1.00 55.24 N ATOM 497 CA ILE A 31 -5.044 0.871 -4.764 1.00 43.41 C ATOM 498 C ILE A 31 -4.425 2.082 -4.073 1.00 31.32 C ATOM 499 O ILE A 31 -3.352 2.545 -4.456 1.00 4.34 O ATOM 500 CB ILE A 31 -3.988 -0.246 -4.860 1.00 33.24 C ATOM 501 CG1 ILE A 31 -3.019 0.035 -6.009 1.00 43.03 C ATOM 502 CG2 ILE A 31 -4.663 -1.597 -5.047 1.00 24.04 C ATOM 503 CD1 ILE A 31 -1.798 -0.859 -6.003 1.00 55.01 C ATOM 0 H ILE A 31 -4.910 1.743 -6.666 1.00 55.24 H new ATOM 0 HA ILE A 31 -5.889 0.512 -4.176 1.00 43.41 H new ATOM 0 HB ILE A 31 -3.420 -0.270 -3.930 1.00 33.24 H new ATOM 0 HG12 ILE A 31 -3.545 -0.089 -6.956 1.00 43.03 H new ATOM 0 HG13 ILE A 31 -2.698 1.075 -5.956 1.00 43.03 H new ATOM 0 HG21 ILE A 31 -3.904 -2.377 -5.113 1.00 24.04 H new ATOM 0 HG22 ILE A 31 -5.317 -1.798 -4.198 1.00 24.04 H new ATOM 0 HG23 ILE A 31 -5.252 -1.585 -5.964 1.00 24.04 H new ATOM 0 HD11 ILE A 31 -1.156 -0.603 -6.846 1.00 55.01 H new ATOM 0 HD12 ILE A 31 -1.249 -0.718 -5.072 1.00 55.01 H new ATOM 0 HD13 ILE A 31 -2.109 -1.900 -6.087 1.00 55.01 H new ATOM 515 N GLU A 32 -5.110 2.587 -3.051 1.00 42.15 N ATOM 516 CA GLU A 32 -4.626 3.743 -2.306 1.00 52.31 C ATOM 517 C GLU A 32 -3.533 3.338 -1.322 1.00 20.43 C ATOM 518 O GLU A 32 -3.022 2.220 -1.372 1.00 22.22 O ATOM 519 CB GLU A 32 -5.780 4.414 -1.557 1.00 25.45 C ATOM 520 CG GLU A 32 -5.866 5.913 -1.788 1.00 31.22 C ATOM 521 CD GLU A 32 -7.297 6.406 -1.885 1.00 45.52 C ATOM 522 OE1 GLU A 32 -8.203 5.695 -1.404 1.00 71.32 O ATOM 523 OE2 GLU A 32 -7.510 7.503 -2.442 1.00 44.43 O ATOM 0 H GLU A 32 -6.000 2.214 -2.721 1.00 42.15 H new ATOM 0 HA GLU A 32 -4.204 4.452 -3.019 1.00 52.31 H new ATOM 0 HB2 GLU A 32 -6.719 3.953 -1.865 1.00 25.45 H new ATOM 0 HB3 GLU A 32 -5.667 4.225 -0.489 1.00 25.45 H new ATOM 0 HG2 GLU A 32 -5.361 6.432 -0.973 1.00 31.22 H new ATOM 0 HG3 GLU A 32 -5.335 6.167 -2.705 1.00 31.22 H new ATOM 530 N ASN A 33 -3.180 4.255 -0.428 1.00 3.44 N ATOM 531 CA ASN A 33 -2.146 3.994 0.568 1.00 15.51 C ATOM 532 C ASN A 33 -2.588 2.902 1.537 1.00 15.33 C ATOM 533 O ASN A 33 -3.208 3.181 2.565 1.00 61.14 O ATOM 534 CB ASN A 33 -1.818 5.274 1.340 1.00 42.23 C ATOM 535 CG ASN A 33 -3.053 5.927 1.930 1.00 60.13 C ATOM 536 OD1 ASN A 33 -3.910 6.430 1.203 1.00 1.01 O ATOM 537 ND2 ASN A 33 -3.149 5.922 3.254 1.00 33.52 N ATOM 0 H ASN A 33 -3.594 5.185 -0.372 1.00 3.44 H new ATOM 0 HA ASN A 33 -1.252 3.653 0.047 1.00 15.51 H new ATOM 0 HB2 ASN A 33 -1.116 5.042 2.141 1.00 42.23 H new ATOM 0 HB3 ASN A 33 -1.321 5.979 0.674 1.00 42.23 H new ATOM 0 HD21 ASN A 33 -3.957 6.347 3.708 1.00 33.52 H new ATOM 0 HD22 ASN A 33 -2.414 5.493 3.817 1.00 33.52 H new ATOM 544 N THR A 34 -2.265 1.656 1.204 1.00 53.51 N ATOM 545 CA THR A 34 -2.629 0.522 2.043 1.00 22.13 C ATOM 546 C THR A 34 -4.136 0.297 2.041 1.00 75.22 C ATOM 547 O THR A 34 -4.742 0.061 3.087 1.00 45.31 O ATOM 548 CB THR A 34 -2.154 0.722 3.495 1.00 65.12 C ATOM 549 OG1 THR A 34 -1.117 1.709 3.539 1.00 15.34 O ATOM 550 CG2 THR A 34 -1.641 -0.585 4.081 1.00 12.13 C ATOM 0 H THR A 34 -1.752 1.407 0.358 1.00 53.51 H new ATOM 0 HA THR A 34 -2.133 -0.353 1.623 1.00 22.13 H new ATOM 0 HB THR A 34 -3.003 1.060 4.089 1.00 65.12 H new ATOM 0 HG1 THR A 34 -0.821 1.832 4.465 1.00 15.34 H new ATOM 0 HG21 THR A 34 -1.311 -0.419 5.107 1.00 12.13 H new ATOM 0 HG22 THR A 34 -2.440 -1.326 4.072 1.00 12.13 H new ATOM 0 HG23 THR A 34 -0.804 -0.947 3.485 1.00 12.13 H new ATOM 558 N LYS A 35 -4.739 0.370 0.859 1.00 61.13 N ATOM 559 CA LYS A 35 -6.177 0.172 0.719 1.00 43.14 C ATOM 560 C LYS A 35 -6.565 0.025 -0.749 1.00 52.11 C ATOM 561 O LYS A 35 -5.803 0.396 -1.642 1.00 70.54 O ATOM 562 CB LYS A 35 -6.937 1.344 1.344 1.00 42.15 C ATOM 563 CG LYS A 35 -8.432 1.104 1.465 1.00 24.14 C ATOM 564 CD LYS A 35 -8.731 -0.169 2.240 1.00 44.32 C ATOM 565 CE LYS A 35 -8.107 -0.137 3.627 1.00 51.32 C ATOM 566 NZ LYS A 35 -8.602 -1.250 4.483 1.00 10.22 N ATOM 0 H LYS A 35 -4.254 0.565 -0.017 1.00 61.13 H new ATOM 0 HA LYS A 35 -6.445 -0.746 1.241 1.00 43.14 H new ATOM 0 HB2 LYS A 35 -6.528 1.544 2.334 1.00 42.15 H new ATOM 0 HB3 LYS A 35 -6.768 2.237 0.743 1.00 42.15 H new ATOM 0 HG2 LYS A 35 -8.899 1.953 1.964 1.00 24.14 H new ATOM 0 HG3 LYS A 35 -8.873 1.038 0.470 1.00 24.14 H new ATOM 0 HD2 LYS A 35 -9.810 -0.298 2.328 1.00 44.32 H new ATOM 0 HD3 LYS A 35 -8.351 -1.029 1.689 1.00 44.32 H new ATOM 0 HE2 LYS A 35 -7.022 -0.201 3.539 1.00 51.32 H new ATOM 0 HE3 LYS A 35 -8.332 0.817 4.105 1.00 51.32 H new ATOM 0 HZ1 LYS A 35 -8.154 -1.193 5.420 1.00 10.22 H new ATOM 0 HZ2 LYS A 35 -9.634 -1.175 4.588 1.00 10.22 H new ATOM 0 HZ3 LYS A 35 -8.365 -2.161 4.040 1.00 10.22 H new ATOM 580 N ILE A 36 -7.755 -0.516 -0.990 1.00 44.22 N ATOM 581 CA ILE A 36 -8.244 -0.709 -2.349 1.00 52.55 C ATOM 582 C ILE A 36 -9.609 -0.056 -2.540 1.00 11.41 C ATOM 583 O ILE A 36 -10.432 -0.034 -1.625 1.00 11.13 O ATOM 584 CB ILE A 36 -8.349 -2.204 -2.703 1.00 51.34 C ATOM 585 CG1 ILE A 36 -6.962 -2.850 -2.699 1.00 50.43 C ATOM 586 CG2 ILE A 36 -9.018 -2.382 -4.058 1.00 53.31 C ATOM 587 CD1 ILE A 36 -6.979 -4.316 -2.328 1.00 54.11 C ATOM 0 H ILE A 36 -8.398 -0.828 -0.262 1.00 44.22 H new ATOM 0 HA ILE A 36 -7.521 -0.237 -3.014 1.00 52.55 H new ATOM 0 HB ILE A 36 -8.962 -2.698 -1.949 1.00 51.34 H new ATOM 0 HG12 ILE A 36 -6.516 -2.739 -3.687 1.00 50.43 H new ATOM 0 HG13 ILE A 36 -6.322 -2.314 -1.998 1.00 50.43 H new ATOM 0 HG21 ILE A 36 -9.085 -3.444 -4.294 1.00 53.31 H new ATOM 0 HG22 ILE A 36 -10.020 -1.953 -4.028 1.00 53.31 H new ATOM 0 HG23 ILE A 36 -8.429 -1.877 -4.824 1.00 53.31 H new ATOM 0 HD11 ILE A 36 -5.962 -4.708 -2.346 1.00 54.11 H new ATOM 0 HD12 ILE A 36 -7.396 -4.433 -1.328 1.00 54.11 H new ATOM 0 HD13 ILE A 36 -7.592 -4.865 -3.043 1.00 54.11 H new ATOM 599 N VAL A 37 -9.844 0.475 -3.736 1.00 64.31 N ATOM 600 CA VAL A 37 -11.110 1.126 -4.049 1.00 31.14 C ATOM 601 C VAL A 37 -11.445 0.994 -5.530 1.00 40.11 C ATOM 602 O VAL A 37 -10.639 0.499 -6.318 1.00 71.02 O ATOM 603 CB VAL A 37 -11.082 2.619 -3.671 1.00 21.22 C ATOM 604 CG1 VAL A 37 -11.174 2.790 -2.162 1.00 71.12 C ATOM 605 CG2 VAL A 37 -9.826 3.282 -4.215 1.00 43.01 C ATOM 0 H VAL A 37 -9.173 0.467 -4.504 1.00 64.31 H new ATOM 0 HA VAL A 37 -11.878 0.624 -3.460 1.00 31.14 H new ATOM 0 HB VAL A 37 -11.947 3.106 -4.121 1.00 21.22 H new ATOM 0 HG11 VAL A 37 -11.153 3.851 -1.914 1.00 71.12 H new ATOM 0 HG12 VAL A 37 -12.105 2.352 -1.802 1.00 71.12 H new ATOM 0 HG13 VAL A 37 -10.330 2.289 -1.687 1.00 71.12 H new ATOM 0 HG21 VAL A 37 -9.822 4.336 -3.939 1.00 43.01 H new ATOM 0 HG22 VAL A 37 -8.946 2.794 -3.796 1.00 43.01 H new ATOM 0 HG23 VAL A 37 -9.808 3.191 -5.301 1.00 43.01 H new ATOM 615 N VAL A 38 -12.640 1.441 -5.903 1.00 41.12 N ATOM 616 CA VAL A 38 -13.082 1.375 -7.291 1.00 62.11 C ATOM 617 C VAL A 38 -13.082 2.757 -7.934 1.00 51.12 C ATOM 618 O VAL A 38 -13.369 3.757 -7.278 1.00 13.43 O ATOM 619 CB VAL A 38 -14.493 0.769 -7.402 1.00 73.34 C ATOM 620 CG1 VAL A 38 -15.416 1.366 -6.350 1.00 65.33 C ATOM 621 CG2 VAL A 38 -15.056 0.982 -8.800 1.00 1.45 C ATOM 0 H VAL A 38 -13.319 1.853 -5.263 1.00 41.12 H new ATOM 0 HA VAL A 38 -12.376 0.733 -7.818 1.00 62.11 H new ATOM 0 HB VAL A 38 -14.423 -0.304 -7.222 1.00 73.34 H new ATOM 0 HG11 VAL A 38 -16.408 0.925 -6.444 1.00 65.33 H new ATOM 0 HG12 VAL A 38 -15.019 1.157 -5.357 1.00 65.33 H new ATOM 0 HG13 VAL A 38 -15.483 2.444 -6.494 1.00 65.33 H new ATOM 0 HG21 VAL A 38 -16.054 0.547 -8.861 1.00 1.45 H new ATOM 0 HG22 VAL A 38 -15.112 2.050 -9.011 1.00 1.45 H new ATOM 0 HG23 VAL A 38 -14.406 0.501 -9.531 1.00 1.45 H new ATOM 631 N GLU A 39 -12.759 2.804 -9.223 1.00 5.42 N ATOM 632 CA GLU A 39 -12.721 4.065 -9.955 1.00 13.04 C ATOM 633 C GLU A 39 -13.787 4.092 -11.046 1.00 55.21 C ATOM 634 O GLU A 39 -14.481 5.093 -11.228 1.00 42.23 O ATOM 635 CB GLU A 39 -11.338 4.281 -10.572 1.00 51.31 C ATOM 636 CG GLU A 39 -10.246 4.530 -9.546 1.00 4.32 C ATOM 637 CD GLU A 39 -10.117 5.995 -9.174 1.00 33.31 C ATOM 638 OE1 GLU A 39 -9.505 6.754 -9.954 1.00 14.13 O ATOM 639 OE2 GLU A 39 -10.630 6.381 -8.102 1.00 43.14 O ATOM 0 H GLU A 39 -12.520 1.984 -9.781 1.00 5.42 H new ATOM 0 HA GLU A 39 -12.926 4.871 -9.251 1.00 13.04 H new ATOM 0 HB2 GLU A 39 -11.074 3.406 -11.166 1.00 51.31 H new ATOM 0 HB3 GLU A 39 -11.383 5.129 -11.256 1.00 51.31 H new ATOM 0 HG2 GLU A 39 -10.457 3.948 -8.649 1.00 4.32 H new ATOM 0 HG3 GLU A 39 -9.294 4.174 -9.940 1.00 4.32 H new ATOM 646 N LYS A 40 -13.912 2.985 -11.770 1.00 54.45 N ATOM 647 CA LYS A 40 -14.893 2.880 -12.844 1.00 34.40 C ATOM 648 C LYS A 40 -15.791 1.663 -12.643 1.00 21.31 C ATOM 649 O LYS A 40 -15.458 0.752 -11.884 1.00 4.51 O ATOM 650 CB LYS A 40 -14.189 2.789 -14.199 1.00 62.54 C ATOM 651 CG LYS A 40 -13.874 4.142 -14.813 1.00 61.44 C ATOM 652 CD LYS A 40 -12.382 4.316 -15.043 1.00 51.03 C ATOM 653 CE LYS A 40 -11.646 4.592 -13.741 1.00 60.02 C ATOM 654 NZ LYS A 40 -10.304 5.193 -13.979 1.00 55.21 N ATOM 0 H LYS A 40 -13.346 2.148 -11.633 1.00 54.45 H new ATOM 0 HA LYS A 40 -15.514 3.776 -12.824 1.00 34.40 H new ATOM 0 HB2 LYS A 40 -13.262 2.229 -14.080 1.00 62.54 H new ATOM 0 HB3 LYS A 40 -14.817 2.224 -14.888 1.00 62.54 H new ATOM 0 HG2 LYS A 40 -14.404 4.245 -15.760 1.00 61.44 H new ATOM 0 HG3 LYS A 40 -14.237 4.934 -14.157 1.00 61.44 H new ATOM 0 HD2 LYS A 40 -11.977 3.417 -15.508 1.00 51.03 H new ATOM 0 HD3 LYS A 40 -12.213 5.138 -15.739 1.00 51.03 H new ATOM 0 HE2 LYS A 40 -12.241 5.265 -13.123 1.00 60.02 H new ATOM 0 HE3 LYS A 40 -11.534 3.662 -13.183 1.00 60.02 H new ATOM 0 HZ1 LYS A 40 -9.834 5.366 -13.067 1.00 55.21 H new ATOM 0 HZ2 LYS A 40 -9.727 4.540 -14.547 1.00 55.21 H new ATOM 0 HZ3 LYS A 40 -10.412 6.093 -14.489 1.00 55.21 H new ATOM 668 N ASP A 41 -16.929 1.653 -13.328 1.00 42.02 N ATOM 669 CA ASP A 41 -17.873 0.546 -13.227 1.00 11.44 C ATOM 670 C ASP A 41 -19.185 0.886 -13.927 1.00 33.33 C ATOM 671 O ASP A 41 -19.843 1.870 -13.592 1.00 31.24 O ATOM 672 CB ASP A 41 -18.137 0.206 -11.759 1.00 41.00 C ATOM 673 CG ASP A 41 -18.198 1.440 -10.880 1.00 43.04 C ATOM 674 OD1 ASP A 41 -18.662 2.493 -11.367 1.00 20.33 O ATOM 675 OD2 ASP A 41 -17.782 1.353 -9.706 1.00 60.13 O ATOM 0 H ASP A 41 -17.220 2.399 -13.959 1.00 42.02 H new ATOM 0 HA ASP A 41 -17.433 -0.321 -13.720 1.00 11.44 H new ATOM 0 HB2 ASP A 41 -19.077 -0.340 -11.679 1.00 41.00 H new ATOM 0 HB3 ASP A 41 -17.351 -0.457 -11.396 1.00 41.00 H new ATOM 680 N GLY A 42 -19.560 0.064 -14.903 1.00 23.45 N ATOM 681 CA GLY A 42 -20.791 0.294 -15.635 1.00 42.34 C ATOM 682 C GLY A 42 -20.668 -0.067 -17.103 1.00 15.35 C ATOM 683 O GLY A 42 -21.136 0.669 -17.972 1.00 75.31 O ATOM 0 H GLY A 42 -19.033 -0.757 -15.199 1.00 23.45 H new ATOM 0 HA2 GLY A 42 -21.592 -0.292 -15.186 1.00 42.34 H new ATOM 0 HA3 GLY A 42 -21.074 1.343 -15.544 1.00 42.34 H new ATOM 687 N LYS A 43 -20.036 -1.202 -17.380 1.00 51.31 N ATOM 688 CA LYS A 43 -19.852 -1.660 -18.752 1.00 53.01 C ATOM 689 C LYS A 43 -18.943 -0.711 -19.525 1.00 45.25 C ATOM 690 O LYS A 43 -19.257 -0.309 -20.645 1.00 2.31 O ATOM 691 CB LYS A 43 -21.205 -1.776 -19.458 1.00 41.35 C ATOM 692 CG LYS A 43 -21.337 -3.020 -20.319 1.00 71.03 C ATOM 693 CD LYS A 43 -21.150 -4.287 -19.501 1.00 43.41 C ATOM 694 CE LYS A 43 -22.004 -4.269 -18.243 1.00 11.21 C ATOM 695 NZ LYS A 43 -23.444 -4.053 -18.553 1.00 54.54 N ATOM 0 H LYS A 43 -19.642 -1.822 -16.672 1.00 51.31 H new ATOM 0 HA LYS A 43 -19.380 -2.642 -18.721 1.00 53.01 H new ATOM 0 HB2 LYS A 43 -21.997 -1.777 -18.709 1.00 41.35 H new ATOM 0 HB3 LYS A 43 -21.357 -0.895 -20.082 1.00 41.35 H new ATOM 0 HG2 LYS A 43 -22.319 -3.033 -20.793 1.00 71.03 H new ATOM 0 HG3 LYS A 43 -20.597 -2.990 -21.119 1.00 71.03 H new ATOM 0 HD2 LYS A 43 -21.411 -5.155 -20.107 1.00 43.41 H new ATOM 0 HD3 LYS A 43 -20.100 -4.393 -19.228 1.00 43.41 H new ATOM 0 HE2 LYS A 43 -21.885 -5.212 -17.710 1.00 11.21 H new ATOM 0 HE3 LYS A 43 -21.654 -3.480 -17.577 1.00 11.21 H new ATOM 0 HZ1 LYS A 43 -24.013 -4.231 -17.701 1.00 54.54 H new ATOM 0 HZ2 LYS A 43 -23.588 -3.072 -18.867 1.00 54.54 H new ATOM 0 HZ3 LYS A 43 -23.738 -4.705 -19.308 1.00 54.54 H new ATOM 709 N GLY A 44 -17.812 -0.358 -18.921 1.00 11.50 N ATOM 710 CA GLY A 44 -16.874 0.540 -19.569 1.00 1.44 C ATOM 711 C GLY A 44 -15.682 -0.190 -20.154 1.00 23.32 C ATOM 712 O GLY A 44 -14.646 -0.323 -19.503 1.00 52.11 O ATOM 0 H GLY A 44 -17.529 -0.678 -17.995 1.00 11.50 H new ATOM 0 HA2 GLY A 44 -17.386 1.086 -20.361 1.00 1.44 H new ATOM 0 HA3 GLY A 44 -16.525 1.279 -18.847 1.00 1.44 H new ATOM 716 N ASN A 45 -15.828 -0.667 -21.386 1.00 33.23 N ATOM 717 CA ASN A 45 -14.755 -1.391 -22.058 1.00 12.22 C ATOM 718 C ASN A 45 -13.499 -0.531 -22.157 1.00 65.42 C ATOM 719 O ASN A 45 -13.438 0.564 -21.600 1.00 2.02 O ATOM 720 CB ASN A 45 -15.202 -1.825 -23.455 1.00 42.44 C ATOM 721 CG ASN A 45 -15.625 -0.651 -24.317 1.00 40.14 C ATOM 722 OD1 ASN A 45 -15.606 0.498 -23.874 1.00 72.44 O ATOM 723 ND2 ASN A 45 -16.010 -0.935 -25.556 1.00 61.22 N ATOM 0 H ASN A 45 -16.679 -0.565 -21.939 1.00 33.23 H new ATOM 0 HA ASN A 45 -14.522 -2.277 -21.468 1.00 12.22 H new ATOM 0 HB2 ASN A 45 -14.387 -2.357 -23.945 1.00 42.44 H new ATOM 0 HB3 ASN A 45 -16.033 -2.525 -23.367 1.00 42.44 H new ATOM 0 HD21 ASN A 45 -16.306 -0.186 -26.182 1.00 61.22 H new ATOM 0 HD22 ASN A 45 -16.010 -1.902 -25.881 1.00 61.22 H new ATOM 730 N ALA A 46 -12.498 -1.036 -22.872 1.00 20.25 N ATOM 731 CA ALA A 46 -11.244 -0.314 -23.047 1.00 21.25 C ATOM 732 C ALA A 46 -11.497 1.147 -23.400 1.00 42.44 C ATOM 733 O ALA A 46 -10.714 2.027 -23.041 1.00 51.33 O ATOM 734 CB ALA A 46 -10.397 -0.980 -24.121 1.00 22.44 C ATOM 0 H ALA A 46 -12.532 -1.942 -23.339 1.00 20.25 H new ATOM 0 HA ALA A 46 -10.701 -0.343 -22.102 1.00 21.25 H new ATOM 0 HB1 ALA A 46 -9.464 -0.430 -24.241 1.00 22.44 H new ATOM 0 HB2 ALA A 46 -10.178 -2.007 -23.827 1.00 22.44 H new ATOM 0 HB3 ALA A 46 -10.942 -0.981 -25.065 1.00 22.44 H new ATOM 740 N ASP A 47 -12.593 1.399 -24.107 1.00 34.03 N ATOM 741 CA ASP A 47 -12.949 2.755 -24.509 1.00 35.30 C ATOM 742 C ASP A 47 -12.919 3.702 -23.314 1.00 35.15 C ATOM 743 O ASP A 47 -12.190 4.693 -23.313 1.00 61.35 O ATOM 744 CB ASP A 47 -14.336 2.771 -25.153 1.00 75.44 C ATOM 745 CG ASP A 47 -14.546 3.977 -26.047 1.00 42.30 C ATOM 746 OD1 ASP A 47 -13.557 4.686 -26.329 1.00 2.45 O ATOM 747 OD2 ASP A 47 -15.698 4.212 -26.466 1.00 15.13 O ATOM 0 H ASP A 47 -13.250 0.682 -24.414 1.00 34.03 H new ATOM 0 HA ASP A 47 -12.214 3.096 -25.238 1.00 35.30 H new ATOM 0 HB2 ASP A 47 -14.472 1.861 -25.738 1.00 75.44 H new ATOM 0 HB3 ASP A 47 -15.096 2.765 -24.372 1.00 75.44 H new ATOM 752 N GLU A 48 -13.718 3.390 -22.297 1.00 60.25 N ATOM 753 CA GLU A 48 -13.783 4.215 -21.097 1.00 75.00 C ATOM 754 C GLU A 48 -12.711 3.801 -20.093 1.00 52.22 C ATOM 755 O GLU A 48 -11.998 4.643 -19.547 1.00 13.32 O ATOM 756 CB GLU A 48 -15.168 4.110 -20.454 1.00 22.43 C ATOM 757 CG GLU A 48 -16.310 4.184 -21.453 1.00 34.05 C ATOM 758 CD GLU A 48 -17.669 4.032 -20.797 1.00 12.41 C ATOM 759 OE1 GLU A 48 -17.931 4.741 -19.803 1.00 14.11 O ATOM 760 OE2 GLU A 48 -18.471 3.204 -21.279 1.00 3.53 O ATOM 0 H GLU A 48 -14.328 2.573 -22.281 1.00 60.25 H new ATOM 0 HA GLU A 48 -13.603 5.250 -21.388 1.00 75.00 H new ATOM 0 HB2 GLU A 48 -15.235 3.169 -19.907 1.00 22.43 H new ATOM 0 HB3 GLU A 48 -15.282 4.912 -19.724 1.00 22.43 H new ATOM 0 HG2 GLU A 48 -16.268 5.139 -21.977 1.00 34.05 H new ATOM 0 HG3 GLU A 48 -16.183 3.403 -22.203 1.00 34.05 H new ATOM 767 N PHE A 49 -12.604 2.498 -19.855 1.00 4.32 N ATOM 768 CA PHE A 49 -11.620 1.972 -18.916 1.00 30.42 C ATOM 769 C PHE A 49 -10.224 2.497 -19.238 1.00 53.41 C ATOM 770 O PHE A 49 -9.557 3.081 -18.384 1.00 63.11 O ATOM 771 CB PHE A 49 -11.621 0.442 -18.948 1.00 30.20 C ATOM 772 CG PHE A 49 -10.266 -0.163 -18.719 1.00 24.41 C ATOM 773 CD1 PHE A 49 -9.515 0.185 -17.608 1.00 12.54 C ATOM 774 CD2 PHE A 49 -9.742 -1.081 -19.615 1.00 64.02 C ATOM 775 CE1 PHE A 49 -8.268 -0.370 -17.394 1.00 3.14 C ATOM 776 CE2 PHE A 49 -8.495 -1.640 -19.406 1.00 50.03 C ATOM 777 CZ PHE A 49 -7.757 -1.283 -18.295 1.00 24.12 C ATOM 0 H PHE A 49 -13.186 1.788 -20.299 1.00 4.32 H new ATOM 0 HA PHE A 49 -11.893 2.309 -17.916 1.00 30.42 H new ATOM 0 HB2 PHE A 49 -12.309 0.071 -18.188 1.00 30.20 H new ATOM 0 HB3 PHE A 49 -12.001 0.107 -19.913 1.00 30.20 H new ATOM 0 HD1 PHE A 49 -9.909 0.899 -16.900 1.00 12.54 H new ATOM 0 HD2 PHE A 49 -10.314 -1.363 -20.486 1.00 64.02 H new ATOM 0 HE1 PHE A 49 -7.694 -0.090 -16.523 1.00 3.14 H new ATOM 0 HE2 PHE A 49 -8.098 -2.355 -20.111 1.00 50.03 H new ATOM 0 HZ PHE A 49 -6.782 -1.717 -18.131 1.00 24.12 H new ATOM 787 N ARG A 50 -9.790 2.286 -20.476 1.00 71.52 N ATOM 788 CA ARG A 50 -8.474 2.736 -20.912 1.00 23.03 C ATOM 789 C ARG A 50 -8.513 4.201 -21.335 1.00 51.34 C ATOM 790 O ARG A 50 -7.474 4.842 -21.488 1.00 52.20 O ATOM 791 CB ARG A 50 -7.973 1.872 -22.071 1.00 12.12 C ATOM 792 CG ARG A 50 -7.601 2.671 -23.309 1.00 73.23 C ATOM 793 CD ARG A 50 -6.959 1.789 -24.369 1.00 3.14 C ATOM 794 NE ARG A 50 -5.779 1.094 -23.860 1.00 40.33 N ATOM 795 CZ ARG A 50 -5.281 -0.007 -24.411 1.00 20.43 C ATOM 796 NH1 ARG A 50 -5.857 -0.536 -25.481 1.00 71.33 N ATOM 797 NH2 ARG A 50 -4.204 -0.582 -23.890 1.00 50.13 N ATOM 0 H ARG A 50 -10.331 1.806 -21.195 1.00 71.52 H new ATOM 0 HA ARG A 50 -7.787 2.637 -20.071 1.00 23.03 H new ATOM 0 HB2 ARG A 50 -7.103 1.304 -21.740 1.00 12.12 H new ATOM 0 HB3 ARG A 50 -8.745 1.149 -22.334 1.00 12.12 H new ATOM 0 HG2 ARG A 50 -8.493 3.144 -23.719 1.00 73.23 H new ATOM 0 HG3 ARG A 50 -6.913 3.471 -23.034 1.00 73.23 H new ATOM 0 HD2 ARG A 50 -7.686 1.058 -24.722 1.00 3.14 H new ATOM 0 HD3 ARG A 50 -6.678 2.399 -25.227 1.00 3.14 H new ATOM 0 HE ARG A 50 -5.312 1.475 -23.037 1.00 40.33 H new ATOM 0 HH11 ARG A 50 -6.685 -0.097 -25.884 1.00 71.33 H new ATOM 0 HH12 ARG A 50 -5.472 -1.382 -25.902 1.00 71.33 H new ATOM 0 HH21 ARG A 50 -3.758 -0.178 -23.066 1.00 50.13 H new ATOM 0 HH22 ARG A 50 -3.822 -1.428 -24.314 1.00 50.13 H new ATOM 811 N GLY A 51 -9.721 4.725 -21.524 1.00 45.34 N ATOM 812 CA GLY A 51 -9.873 6.110 -21.929 1.00 40.54 C ATOM 813 C GLY A 51 -10.186 7.025 -20.762 1.00 32.23 C ATOM 814 O GLY A 51 -10.472 8.207 -20.950 1.00 23.14 O ATOM 0 H GLY A 51 -10.596 4.215 -21.404 1.00 45.34 H new ATOM 0 HA2 GLY A 51 -8.957 6.446 -22.414 1.00 40.54 H new ATOM 0 HA3 GLY A 51 -10.671 6.184 -22.668 1.00 40.54 H new ATOM 818 N ALA A 52 -10.134 6.476 -19.552 1.00 54.32 N ATOM 819 CA ALA A 52 -10.415 7.251 -18.350 1.00 24.34 C ATOM 820 C ALA A 52 -9.254 7.173 -17.363 1.00 71.55 C ATOM 821 O ALA A 52 -9.221 7.898 -16.369 1.00 12.23 O ATOM 822 CB ALA A 52 -11.699 6.764 -17.696 1.00 32.34 C ATOM 0 H ALA A 52 -9.900 5.498 -19.379 1.00 54.32 H new ATOM 0 HA ALA A 52 -10.541 8.294 -18.641 1.00 24.34 H new ATOM 0 HB1 ALA A 52 -11.896 7.352 -16.800 1.00 32.34 H new ATOM 0 HB2 ALA A 52 -12.528 6.877 -18.394 1.00 32.34 H new ATOM 0 HB3 ALA A 52 -11.594 5.713 -17.425 1.00 32.34 H new ATOM 828 N LEU A 53 -8.304 6.288 -17.645 1.00 22.15 N ATOM 829 CA LEU A 53 -7.141 6.114 -16.781 1.00 43.23 C ATOM 830 C LEU A 53 -6.486 7.457 -16.473 1.00 70.00 C ATOM 831 O LEU A 53 -6.510 8.387 -17.280 1.00 23.32 O ATOM 832 CB LEU A 53 -6.126 5.179 -17.442 1.00 31.15 C ATOM 833 CG LEU A 53 -6.660 3.818 -17.889 1.00 31.32 C ATOM 834 CD1 LEU A 53 -5.571 3.022 -18.591 1.00 71.31 C ATOM 835 CD2 LEU A 53 -7.207 3.042 -16.699 1.00 50.21 C ATOM 0 H LEU A 53 -8.316 5.680 -18.464 1.00 22.15 H new ATOM 0 HA LEU A 53 -7.478 5.671 -15.844 1.00 43.23 H new ATOM 0 HB2 LEU A 53 -5.707 5.686 -18.311 1.00 31.15 H new ATOM 0 HB3 LEU A 53 -5.306 5.014 -16.744 1.00 31.15 H new ATOM 0 HG LEU A 53 -7.474 3.983 -18.595 1.00 31.32 H new ATOM 0 HD11 LEU A 53 -5.969 2.056 -18.902 1.00 71.31 H new ATOM 0 HD12 LEU A 53 -5.226 3.571 -19.467 1.00 71.31 H new ATOM 0 HD13 LEU A 53 -4.736 2.867 -17.908 1.00 71.31 H new ATOM 0 HD21 LEU A 53 -7.583 2.076 -17.036 1.00 50.21 H new ATOM 0 HD22 LEU A 53 -6.412 2.888 -15.969 1.00 50.21 H new ATOM 0 HD23 LEU A 53 -8.018 3.606 -16.239 1.00 50.21 H new ATOM 847 N PRO A 54 -5.885 7.562 -15.278 1.00 51.25 N ATOM 848 CA PRO A 54 -5.210 8.786 -14.837 1.00 42.22 C ATOM 849 C PRO A 54 -3.926 9.053 -15.616 1.00 13.20 C ATOM 850 O PRO A 54 -3.247 8.123 -16.049 1.00 72.11 O ATOM 851 CB PRO A 54 -4.894 8.506 -13.366 1.00 11.32 C ATOM 852 CG PRO A 54 -4.824 7.021 -13.269 1.00 52.32 C ATOM 853 CD PRO A 54 -5.818 6.494 -14.267 1.00 11.21 C ATOM 0 HA PRO A 54 -5.827 9.671 -14.994 1.00 42.22 H new ATOM 0 HB2 PRO A 54 -3.952 8.967 -13.069 1.00 11.32 H new ATOM 0 HB3 PRO A 54 -5.667 8.909 -12.711 1.00 11.32 H new ATOM 0 HG2 PRO A 54 -3.819 6.662 -13.492 1.00 52.32 H new ATOM 0 HG3 PRO A 54 -5.066 6.684 -12.261 1.00 52.32 H new ATOM 0 HD2 PRO A 54 -5.489 5.550 -14.701 1.00 11.21 H new ATOM 0 HD3 PRO A 54 -6.790 6.313 -13.809 1.00 11.21 H new ATOM 861 N ALA A 55 -3.600 10.330 -15.790 1.00 22.41 N ATOM 862 CA ALA A 55 -2.396 10.718 -16.514 1.00 52.44 C ATOM 863 C ALA A 55 -1.167 10.649 -15.614 1.00 72.35 C ATOM 864 O ALA A 55 -0.048 10.466 -16.090 1.00 64.13 O ATOM 865 CB ALA A 55 -2.554 12.119 -17.088 1.00 34.15 C ATOM 0 H ALA A 55 -4.153 11.112 -15.440 1.00 22.41 H new ATOM 0 HA ALA A 55 -2.253 10.014 -17.334 1.00 52.44 H new ATOM 0 HB1 ALA A 55 -1.648 12.396 -17.626 1.00 34.15 H new ATOM 0 HB2 ALA A 55 -3.402 12.138 -17.772 1.00 34.15 H new ATOM 0 HB3 ALA A 55 -2.725 12.827 -16.277 1.00 34.15 H new ATOM 871 N ASN A 56 -1.384 10.796 -14.312 1.00 13.44 N ATOM 872 CA ASN A 56 -0.293 10.751 -13.345 1.00 11.40 C ATOM 873 C ASN A 56 -0.499 9.618 -12.344 1.00 51.25 C ATOM 874 O ASN A 56 -0.220 9.768 -11.155 1.00 0.22 O ATOM 875 CB ASN A 56 -0.184 12.086 -12.605 1.00 51.32 C ATOM 876 CG ASN A 56 -0.265 13.275 -13.543 1.00 13.30 C ATOM 877 OD1 ASN A 56 0.079 13.176 -14.721 1.00 24.13 O ATOM 878 ND2 ASN A 56 -0.723 14.408 -13.023 1.00 44.51 N ATOM 0 H ASN A 56 -2.305 10.947 -13.901 1.00 13.44 H new ATOM 0 HA ASN A 56 0.634 10.568 -13.889 1.00 11.40 H new ATOM 0 HB2 ASN A 56 -0.982 12.155 -11.866 1.00 51.32 H new ATOM 0 HB3 ASN A 56 0.759 12.120 -12.060 1.00 51.32 H new ATOM 0 HD21 ASN A 56 -0.801 15.242 -13.606 1.00 44.51 H new ATOM 0 HD22 ASN A 56 -0.997 14.444 -12.041 1.00 44.51 H new ATOM 885 N ASP A 57 -0.988 8.485 -12.835 1.00 74.13 N ATOM 886 CA ASP A 57 -1.230 7.325 -11.985 1.00 74.02 C ATOM 887 C ASP A 57 -1.548 6.092 -12.826 1.00 14.23 C ATOM 888 O ASP A 57 -1.515 6.142 -14.056 1.00 14.12 O ATOM 889 CB ASP A 57 -2.379 7.607 -11.016 1.00 14.00 C ATOM 890 CG ASP A 57 -1.980 7.399 -9.568 1.00 71.24 C ATOM 891 OD1 ASP A 57 -1.208 6.456 -9.295 1.00 61.33 O ATOM 892 OD2 ASP A 57 -2.439 8.179 -8.709 1.00 1.34 O ATOM 0 H ASP A 57 -1.225 8.345 -13.817 1.00 74.13 H new ATOM 0 HA ASP A 57 -0.323 7.129 -11.413 1.00 74.02 H new ATOM 0 HB2 ASP A 57 -2.721 8.633 -11.152 1.00 14.00 H new ATOM 0 HB3 ASP A 57 -3.220 6.956 -11.255 1.00 14.00 H new ATOM 897 N CYS A 58 -1.855 4.988 -12.154 1.00 62.11 N ATOM 898 CA CYS A 58 -2.177 3.741 -12.839 1.00 40.02 C ATOM 899 C CYS A 58 -3.460 3.132 -12.284 1.00 75.25 C ATOM 900 O CYS A 58 -3.804 3.338 -11.120 1.00 74.35 O ATOM 901 CB CYS A 58 -1.024 2.746 -12.700 1.00 70.11 C ATOM 902 SG CYS A 58 -1.087 1.750 -11.192 1.00 64.24 S ATOM 0 H CYS A 58 -1.888 4.931 -11.136 1.00 62.11 H new ATOM 0 HA CYS A 58 -2.329 3.964 -13.895 1.00 40.02 H new ATOM 0 HB2 CYS A 58 -1.027 2.080 -13.563 1.00 70.11 H new ATOM 0 HB3 CYS A 58 -0.081 3.293 -12.722 1.00 70.11 H new ATOM 0 HG CYS A 58 -1.735 0.648 -11.427 1.00 64.24 H new ATOM 908 N ARG A 59 -4.165 2.383 -13.126 1.00 34.52 N ATOM 909 CA ARG A 59 -5.413 1.746 -12.720 1.00 63.25 C ATOM 910 C ARG A 59 -5.569 0.383 -13.388 1.00 32.41 C ATOM 911 O ARG A 59 -5.244 0.214 -14.563 1.00 45.13 O ATOM 912 CB ARG A 59 -6.604 2.638 -13.074 1.00 0.23 C ATOM 913 CG ARG A 59 -6.553 4.009 -12.419 1.00 35.13 C ATOM 914 CD ARG A 59 -6.853 3.926 -10.930 1.00 52.41 C ATOM 915 NE ARG A 59 -7.082 5.244 -10.344 1.00 51.30 N ATOM 916 CZ ARG A 59 -6.110 6.022 -9.881 1.00 65.31 C ATOM 917 NH1 ARG A 59 -4.849 5.616 -9.936 1.00 64.43 N ATOM 918 NH2 ARG A 59 -6.397 7.208 -9.362 1.00 54.51 N ATOM 0 H ARG A 59 -3.894 2.202 -14.093 1.00 34.52 H new ATOM 0 HA ARG A 59 -5.384 1.602 -11.640 1.00 63.25 H new ATOM 0 HB2 ARG A 59 -6.645 2.763 -14.156 1.00 0.23 H new ATOM 0 HB3 ARG A 59 -7.525 2.136 -12.776 1.00 0.23 H new ATOM 0 HG2 ARG A 59 -5.567 4.449 -12.569 1.00 35.13 H new ATOM 0 HG3 ARG A 59 -7.273 4.671 -12.900 1.00 35.13 H new ATOM 0 HD2 ARG A 59 -7.732 3.301 -10.771 1.00 52.41 H new ATOM 0 HD3 ARG A 59 -6.021 3.442 -10.419 1.00 52.41 H new ATOM 0 HE ARG A 59 -8.041 5.586 -10.287 1.00 51.30 H new ATOM 0 HH11 ARG A 59 -4.624 4.705 -10.334 1.00 64.43 H new ATOM 0 HH12 ARG A 59 -4.104 6.215 -9.580 1.00 64.43 H new ATOM 0 HH21 ARG A 59 -7.366 7.524 -9.318 1.00 54.51 H new ATOM 0 HH22 ARG A 59 -5.649 7.804 -9.007 1.00 54.51 H new ATOM 932 N PHE A 60 -6.069 -0.588 -12.630 1.00 12.30 N ATOM 933 CA PHE A 60 -6.267 -1.937 -13.147 1.00 54.32 C ATOM 934 C PHE A 60 -7.753 -2.246 -13.303 1.00 34.51 C ATOM 935 O PHE A 60 -8.587 -1.734 -12.557 1.00 51.04 O ATOM 936 CB PHE A 60 -5.616 -2.963 -12.218 1.00 44.11 C ATOM 937 CG PHE A 60 -4.723 -2.348 -11.178 1.00 61.23 C ATOM 938 CD1 PHE A 60 -3.397 -2.066 -11.464 1.00 23.22 C ATOM 939 CD2 PHE A 60 -5.210 -2.053 -9.915 1.00 42.01 C ATOM 940 CE1 PHE A 60 -2.573 -1.500 -10.509 1.00 64.23 C ATOM 941 CE2 PHE A 60 -4.391 -1.487 -8.957 1.00 4.41 C ATOM 942 CZ PHE A 60 -3.070 -1.211 -9.254 1.00 31.11 C ATOM 0 H PHE A 60 -6.344 -0.465 -11.656 1.00 12.30 H new ATOM 0 HA PHE A 60 -5.796 -1.996 -14.128 1.00 54.32 H new ATOM 0 HB2 PHE A 60 -6.397 -3.538 -11.721 1.00 44.11 H new ATOM 0 HB3 PHE A 60 -5.035 -3.665 -12.816 1.00 44.11 H new ATOM 0 HD1 PHE A 60 -3.003 -2.291 -12.444 1.00 23.22 H new ATOM 0 HD2 PHE A 60 -6.241 -2.268 -9.677 1.00 42.01 H new ATOM 0 HE1 PHE A 60 -1.541 -1.284 -10.745 1.00 64.23 H new ATOM 0 HE2 PHE A 60 -4.783 -1.260 -7.977 1.00 4.41 H new ATOM 0 HZ PHE A 60 -2.428 -0.770 -8.506 1.00 31.11 H new ATOM 952 N GLY A 61 -8.077 -3.089 -14.279 1.00 31.50 N ATOM 953 CA GLY A 61 -9.462 -3.453 -14.516 1.00 61.03 C ATOM 954 C GLY A 61 -9.641 -4.942 -14.737 1.00 22.15 C ATOM 955 O GLY A 61 -8.862 -5.569 -15.455 1.00 0.20 O ATOM 0 H GLY A 61 -7.405 -3.526 -14.910 1.00 31.50 H new ATOM 0 HA2 GLY A 61 -10.067 -3.140 -13.665 1.00 61.03 H new ATOM 0 HA3 GLY A 61 -9.832 -2.913 -15.387 1.00 61.03 H new ATOM 959 N VAL A 62 -10.669 -5.511 -14.115 1.00 60.35 N ATOM 960 CA VAL A 62 -10.948 -6.936 -14.247 1.00 24.44 C ATOM 961 C VAL A 62 -12.238 -7.175 -15.023 1.00 44.03 C ATOM 962 O VAL A 62 -13.278 -6.594 -14.713 1.00 43.44 O ATOM 963 CB VAL A 62 -11.058 -7.616 -12.869 1.00 3.13 C ATOM 964 CG1 VAL A 62 -9.692 -7.699 -12.204 1.00 34.24 C ATOM 965 CG2 VAL A 62 -12.046 -6.870 -11.985 1.00 21.02 C ATOM 0 H VAL A 62 -11.322 -5.007 -13.515 1.00 60.35 H new ATOM 0 HA VAL A 62 -10.112 -7.372 -14.794 1.00 24.44 H new ATOM 0 HB VAL A 62 -11.428 -8.631 -13.012 1.00 3.13 H new ATOM 0 HG11 VAL A 62 -9.789 -8.182 -11.232 1.00 34.24 H new ATOM 0 HG12 VAL A 62 -9.016 -8.280 -12.832 1.00 34.24 H new ATOM 0 HG13 VAL A 62 -9.290 -6.694 -12.071 1.00 34.24 H new ATOM 0 HG21 VAL A 62 -12.112 -7.364 -11.015 1.00 21.02 H new ATOM 0 HG22 VAL A 62 -11.707 -5.843 -11.847 1.00 21.02 H new ATOM 0 HG23 VAL A 62 -13.028 -6.868 -12.458 1.00 21.02 H new ATOM 975 N TYR A 63 -12.163 -8.034 -16.034 1.00 22.14 N ATOM 976 CA TYR A 63 -13.324 -8.349 -16.857 1.00 14.22 C ATOM 977 C TYR A 63 -13.424 -9.850 -17.107 1.00 62.45 C ATOM 978 O TYR A 63 -12.449 -10.491 -17.502 1.00 74.11 O ATOM 979 CB TYR A 63 -13.249 -7.602 -18.189 1.00 43.15 C ATOM 980 CG TYR A 63 -12.333 -8.256 -19.199 1.00 60.22 C ATOM 981 CD1 TYR A 63 -12.809 -9.230 -20.069 1.00 24.02 C ATOM 982 CD2 TYR A 63 -10.992 -7.902 -19.283 1.00 53.40 C ATOM 983 CE1 TYR A 63 -11.976 -9.831 -20.993 1.00 24.25 C ATOM 984 CE2 TYR A 63 -10.152 -8.496 -20.205 1.00 34.35 C ATOM 985 CZ TYR A 63 -10.649 -9.461 -21.057 1.00 4.42 C ATOM 986 OH TYR A 63 -9.815 -10.056 -21.975 1.00 62.42 O ATOM 0 H TYR A 63 -11.310 -8.524 -16.303 1.00 22.14 H new ATOM 0 HA TYR A 63 -14.216 -8.029 -16.319 1.00 14.22 H new ATOM 0 HB2 TYR A 63 -14.251 -7.530 -18.613 1.00 43.15 H new ATOM 0 HB3 TYR A 63 -12.906 -6.584 -18.006 1.00 43.15 H new ATOM 0 HD1 TYR A 63 -13.848 -9.522 -20.022 1.00 24.02 H new ATOM 0 HD2 TYR A 63 -10.599 -7.149 -18.616 1.00 53.40 H new ATOM 0 HE1 TYR A 63 -12.362 -10.586 -21.661 1.00 24.25 H new ATOM 0 HE2 TYR A 63 -9.113 -8.207 -20.259 1.00 34.35 H new ATOM 0 HH TYR A 63 -10.081 -10.991 -22.100 1.00 62.42 H new ATOM 996 N ASP A 64 -14.609 -10.405 -16.876 1.00 5.10 N ATOM 997 CA ASP A 64 -14.838 -11.831 -17.078 1.00 0.22 C ATOM 998 C ASP A 64 -14.619 -12.215 -18.538 1.00 34.01 C ATOM 999 O ASP A 64 -15.476 -11.971 -19.389 1.00 23.30 O ATOM 1000 CB ASP A 64 -16.256 -12.207 -16.645 1.00 62.32 C ATOM 1001 CG ASP A 64 -16.688 -13.555 -17.188 1.00 21.44 C ATOM 1002 OD1 ASP A 64 -16.212 -14.586 -16.666 1.00 1.42 O ATOM 1003 OD2 ASP A 64 -17.503 -13.580 -18.133 1.00 62.43 O ATOM 0 H ASP A 64 -15.426 -9.889 -16.549 1.00 5.10 H new ATOM 0 HA ASP A 64 -14.122 -12.380 -16.466 1.00 0.22 H new ATOM 0 HB2 ASP A 64 -16.308 -12.223 -15.556 1.00 62.32 H new ATOM 0 HB3 ASP A 64 -16.952 -11.441 -16.986 1.00 62.32 H new ATOM 1008 N CYS A 65 -13.469 -12.815 -18.820 1.00 64.33 N ATOM 1009 CA CYS A 65 -13.137 -13.232 -20.178 1.00 45.43 C ATOM 1010 C CYS A 65 -13.701 -14.617 -20.476 1.00 15.32 C ATOM 1011 O CYS A 65 -13.609 -15.108 -21.600 1.00 0.20 O ATOM 1012 CB CYS A 65 -11.620 -13.232 -20.377 1.00 72.52 C ATOM 1013 SG CYS A 65 -11.103 -13.153 -22.108 1.00 24.32 S ATOM 0 H CYS A 65 -12.750 -13.024 -18.127 1.00 64.33 H new ATOM 0 HA CYS A 65 -13.587 -12.520 -20.870 1.00 45.43 H new ATOM 0 HB2 CYS A 65 -11.194 -12.383 -19.843 1.00 72.52 H new ATOM 0 HB3 CYS A 65 -11.205 -14.133 -19.926 1.00 72.52 H new ATOM 0 HG CYS A 65 -9.805 -13.156 -22.174 1.00 24.32 H new ATOM 1019 N GLY A 66 -14.286 -15.243 -19.459 1.00 10.12 N ATOM 1020 CA GLY A 66 -14.856 -16.566 -19.631 1.00 63.53 C ATOM 1021 C GLY A 66 -13.893 -17.668 -19.235 1.00 31.22 C ATOM 1022 O GLY A 66 -14.306 -18.709 -18.726 1.00 74.21 O ATOM 0 H GLY A 66 -14.375 -14.857 -18.519 1.00 10.12 H new ATOM 0 HA2 GLY A 66 -15.763 -16.648 -19.032 1.00 63.53 H new ATOM 0 HA3 GLY A 66 -15.148 -16.700 -20.673 1.00 63.53 H new ATOM 1026 N ASN A 67 -12.605 -17.439 -19.470 1.00 31.33 N ATOM 1027 CA ASN A 67 -11.581 -18.422 -19.135 1.00 62.35 C ATOM 1028 C ASN A 67 -10.618 -17.870 -18.089 1.00 45.23 C ATOM 1029 O ASN A 67 -9.934 -18.625 -17.398 1.00 64.22 O ATOM 1030 CB ASN A 67 -10.808 -18.831 -20.391 1.00 60.40 C ATOM 1031 CG ASN A 67 -9.598 -19.689 -20.072 1.00 15.32 C ATOM 1032 OD1 ASN A 67 -9.666 -20.591 -19.237 1.00 12.11 O ATOM 1033 ND2 ASN A 67 -8.483 -19.410 -20.737 1.00 15.42 N ATOM 0 H ASN A 67 -12.246 -16.582 -19.891 1.00 31.33 H new ATOM 0 HA ASN A 67 -12.077 -19.299 -18.719 1.00 62.35 H new ATOM 0 HB2 ASN A 67 -11.472 -19.378 -21.061 1.00 60.40 H new ATOM 0 HB3 ASN A 67 -10.485 -17.936 -20.923 1.00 60.40 H new ATOM 0 HD21 ASN A 67 -7.637 -19.953 -20.564 1.00 15.42 H new ATOM 0 HD22 ASN A 67 -8.473 -18.653 -21.420 1.00 15.42 H new ATOM 1040 N LYS A 68 -10.569 -16.547 -17.978 1.00 13.34 N ATOM 1041 CA LYS A 68 -9.692 -15.891 -17.015 1.00 31.10 C ATOM 1042 C LYS A 68 -9.985 -14.396 -16.942 1.00 41.13 C ATOM 1043 O LYS A 68 -10.837 -13.885 -17.670 1.00 1.01 O ATOM 1044 CB LYS A 68 -8.226 -16.117 -17.393 1.00 55.33 C ATOM 1045 CG LYS A 68 -7.835 -15.483 -18.717 1.00 14.51 C ATOM 1046 CD LYS A 68 -8.208 -16.370 -19.892 1.00 74.24 C ATOM 1047 CE LYS A 68 -9.195 -15.680 -20.821 1.00 53.31 C ATOM 1048 NZ LYS A 68 -8.956 -16.034 -22.248 1.00 4.04 N ATOM 0 H LYS A 68 -11.127 -15.907 -18.544 1.00 13.34 H new ATOM 0 HA LYS A 68 -9.879 -16.328 -16.034 1.00 31.10 H new ATOM 0 HB2 LYS A 68 -7.590 -15.714 -16.605 1.00 55.33 H new ATOM 0 HB3 LYS A 68 -8.033 -17.189 -17.442 1.00 55.33 H new ATOM 0 HG2 LYS A 68 -8.329 -14.517 -18.818 1.00 14.51 H new ATOM 0 HG3 LYS A 68 -6.761 -15.295 -18.728 1.00 14.51 H new ATOM 0 HD2 LYS A 68 -7.309 -16.636 -20.448 1.00 74.24 H new ATOM 0 HD3 LYS A 68 -8.642 -17.300 -19.524 1.00 74.24 H new ATOM 0 HE2 LYS A 68 -10.211 -15.959 -20.543 1.00 53.31 H new ATOM 0 HE3 LYS A 68 -9.116 -14.600 -20.697 1.00 53.31 H new ATOM 0 HZ1 LYS A 68 -8.662 -15.185 -22.772 1.00 4.04 H new ATOM 0 HZ2 LYS A 68 -8.208 -16.754 -22.306 1.00 4.04 H new ATOM 0 HZ3 LYS A 68 -9.832 -16.411 -22.664 1.00 4.04 H new ATOM 1062 N ILE A 69 -9.273 -13.700 -16.062 1.00 32.41 N ATOM 1063 CA ILE A 69 -9.456 -12.264 -15.897 1.00 43.43 C ATOM 1064 C ILE A 69 -8.219 -11.497 -16.353 1.00 53.53 C ATOM 1065 O ILE A 69 -7.276 -11.308 -15.586 1.00 32.25 O ATOM 1066 CB ILE A 69 -9.761 -11.899 -14.432 1.00 62.13 C ATOM 1067 CG1 ILE A 69 -10.878 -12.790 -13.884 1.00 42.23 C ATOM 1068 CG2 ILE A 69 -10.144 -10.431 -14.321 1.00 4.05 C ATOM 1069 CD1 ILE A 69 -12.074 -12.893 -14.804 1.00 73.20 C ATOM 0 H ILE A 69 -8.564 -14.108 -15.452 1.00 32.41 H new ATOM 0 HA ILE A 69 -10.306 -11.981 -16.517 1.00 43.43 H new ATOM 0 HB ILE A 69 -8.864 -12.066 -13.836 1.00 62.13 H new ATOM 0 HG12 ILE A 69 -10.480 -13.789 -13.705 1.00 42.23 H new ATOM 0 HG13 ILE A 69 -11.204 -12.399 -12.920 1.00 42.23 H new ATOM 0 HG21 ILE A 69 -10.357 -10.188 -13.280 1.00 4.05 H new ATOM 0 HG22 ILE A 69 -9.320 -9.812 -14.677 1.00 4.05 H new ATOM 0 HG23 ILE A 69 -11.030 -10.239 -14.926 1.00 4.05 H new ATOM 0 HD11 ILE A 69 -12.826 -13.540 -14.352 1.00 73.20 H new ATOM 0 HD12 ILE A 69 -12.497 -11.901 -14.963 1.00 73.20 H new ATOM 0 HD13 ILE A 69 -11.762 -13.312 -15.761 1.00 73.20 H new ATOM 1081 N GLN A 70 -8.232 -11.055 -17.607 1.00 34.21 N ATOM 1082 CA GLN A 70 -7.112 -10.307 -18.165 1.00 30.13 C ATOM 1083 C GLN A 70 -7.178 -8.840 -17.752 1.00 65.31 C ATOM 1084 O GLN A 70 -7.977 -8.070 -18.285 1.00 3.02 O ATOM 1085 CB GLN A 70 -7.105 -10.420 -19.690 1.00 62.32 C ATOM 1086 CG GLN A 70 -5.750 -10.130 -20.315 1.00 63.43 C ATOM 1087 CD GLN A 70 -5.822 -9.076 -21.402 1.00 70.13 C ATOM 1088 OE1 GLN A 70 -6.139 -7.916 -21.138 1.00 33.11 O ATOM 1089 NE2 GLN A 70 -5.527 -9.474 -22.634 1.00 71.42 N ATOM 0 H GLN A 70 -9.006 -11.202 -18.255 1.00 34.21 H new ATOM 0 HA GLN A 70 -6.190 -10.735 -17.772 1.00 30.13 H new ATOM 0 HB2 GLN A 70 -7.419 -11.425 -19.973 1.00 62.32 H new ATOM 0 HB3 GLN A 70 -7.841 -9.729 -20.101 1.00 62.32 H new ATOM 0 HG2 GLN A 70 -5.060 -9.800 -19.539 1.00 63.43 H new ATOM 0 HG3 GLN A 70 -5.343 -11.050 -20.733 1.00 63.43 H new ATOM 0 HE21 GLN A 70 -5.269 -10.445 -22.808 1.00 71.42 H new ATOM 0 HE22 GLN A 70 -5.558 -8.808 -23.406 1.00 71.42 H new ATOM 1098 N PHE A 71 -6.332 -8.460 -16.800 1.00 32.43 N ATOM 1099 CA PHE A 71 -6.295 -7.086 -16.314 1.00 51.34 C ATOM 1100 C PHE A 71 -4.967 -6.421 -16.664 1.00 24.43 C ATOM 1101 O PHE A 71 -3.898 -6.929 -16.324 1.00 45.31 O ATOM 1102 CB PHE A 71 -6.513 -7.051 -14.800 1.00 50.03 C ATOM 1103 CG PHE A 71 -5.323 -7.518 -14.012 1.00 44.04 C ATOM 1104 CD1 PHE A 71 -4.964 -8.856 -14.002 1.00 61.30 C ATOM 1105 CD2 PHE A 71 -4.562 -6.619 -13.283 1.00 0.33 C ATOM 1106 CE1 PHE A 71 -3.869 -9.289 -13.277 1.00 54.42 C ATOM 1107 CE2 PHE A 71 -3.466 -7.045 -12.556 1.00 71.23 C ATOM 1108 CZ PHE A 71 -3.119 -8.382 -12.554 1.00 41.15 C ATOM 0 H PHE A 71 -5.663 -9.085 -16.350 1.00 32.43 H new ATOM 0 HA PHE A 71 -7.098 -6.533 -16.802 1.00 51.34 H new ATOM 0 HB2 PHE A 71 -6.760 -6.033 -14.500 1.00 50.03 H new ATOM 0 HB3 PHE A 71 -7.372 -7.674 -14.550 1.00 50.03 H new ATOM 0 HD1 PHE A 71 -5.546 -9.569 -14.567 1.00 61.30 H new ATOM 0 HD2 PHE A 71 -4.828 -5.572 -13.283 1.00 0.33 H new ATOM 0 HE1 PHE A 71 -3.601 -10.335 -13.276 1.00 54.42 H new ATOM 0 HE2 PHE A 71 -2.882 -6.334 -11.991 1.00 71.23 H new ATOM 0 HZ PHE A 71 -2.263 -8.718 -11.988 1.00 41.15 H new ATOM 1118 N VAL A 72 -5.042 -5.283 -17.345 1.00 54.43 N ATOM 1119 CA VAL A 72 -3.847 -4.547 -17.741 1.00 31.40 C ATOM 1120 C VAL A 72 -3.880 -3.119 -17.210 1.00 50.45 C ATOM 1121 O VAL A 72 -4.951 -2.540 -17.020 1.00 4.13 O ATOM 1122 CB VAL A 72 -3.692 -4.511 -19.273 1.00 22.21 C ATOM 1123 CG1 VAL A 72 -3.983 -5.879 -19.872 1.00 2.22 C ATOM 1124 CG2 VAL A 72 -4.602 -3.452 -19.875 1.00 51.43 C ATOM 0 H VAL A 72 -5.919 -4.850 -17.635 1.00 54.43 H new ATOM 0 HA VAL A 72 -2.994 -5.072 -17.310 1.00 31.40 H new ATOM 0 HB VAL A 72 -2.661 -4.249 -19.510 1.00 22.21 H new ATOM 0 HG11 VAL A 72 -3.868 -5.834 -20.955 1.00 2.22 H new ATOM 0 HG12 VAL A 72 -3.286 -6.611 -19.464 1.00 2.22 H new ATOM 0 HG13 VAL A 72 -5.003 -6.174 -19.627 1.00 2.22 H new ATOM 0 HG21 VAL A 72 -4.480 -3.440 -20.958 1.00 51.43 H new ATOM 0 HG22 VAL A 72 -5.639 -3.681 -19.629 1.00 51.43 H new ATOM 0 HG23 VAL A 72 -4.341 -2.475 -19.470 1.00 51.43 H new ATOM 1134 N LEU A 73 -2.701 -2.554 -16.974 1.00 51.13 N ATOM 1135 CA LEU A 73 -2.594 -1.191 -16.466 1.00 3.32 C ATOM 1136 C LEU A 73 -1.508 -0.417 -17.206 1.00 65.34 C ATOM 1137 O LEU A 73 -0.514 -0.994 -17.650 1.00 13.42 O ATOM 1138 CB LEU A 73 -2.292 -1.207 -14.966 1.00 61.03 C ATOM 1139 CG LEU A 73 -1.386 -2.337 -14.476 1.00 73.42 C ATOM 1140 CD1 LEU A 73 -2.117 -3.670 -14.535 1.00 22.03 C ATOM 1141 CD2 LEU A 73 -0.108 -2.391 -15.299 1.00 64.44 C ATOM 0 H LEU A 73 -1.806 -3.019 -17.126 1.00 51.13 H new ATOM 0 HA LEU A 73 -3.548 -0.692 -16.634 1.00 3.32 H new ATOM 0 HB2 LEU A 73 -1.831 -0.256 -14.698 1.00 61.03 H new ATOM 0 HB3 LEU A 73 -3.237 -1.266 -14.426 1.00 61.03 H new ATOM 0 HG LEU A 73 -1.118 -2.138 -13.438 1.00 73.42 H new ATOM 0 HD11 LEU A 73 -1.457 -4.463 -14.183 1.00 22.03 H new ATOM 0 HD12 LEU A 73 -3.003 -3.627 -13.902 1.00 22.03 H new ATOM 0 HD13 LEU A 73 -2.415 -3.876 -15.563 1.00 22.03 H new ATOM 0 HD21 LEU A 73 0.525 -3.201 -14.936 1.00 64.44 H new ATOM 0 HD22 LEU A 73 -0.356 -2.566 -16.346 1.00 64.44 H new ATOM 0 HD23 LEU A 73 0.425 -1.445 -15.206 1.00 64.44 H new ATOM 1153 N TRP A 74 -1.703 0.890 -17.334 1.00 44.14 N ATOM 1154 CA TRP A 74 -0.738 1.743 -18.019 1.00 51.24 C ATOM 1155 C TRP A 74 0.169 2.452 -17.019 1.00 74.13 C ATOM 1156 O TRP A 74 -0.308 3.107 -16.091 1.00 61.52 O ATOM 1157 CB TRP A 74 -1.463 2.773 -18.888 1.00 31.51 C ATOM 1158 CG TRP A 74 -0.563 3.855 -19.402 1.00 52.12 C ATOM 1159 CD1 TRP A 74 0.301 3.771 -20.456 1.00 70.43 C ATOM 1160 CD2 TRP A 74 -0.438 5.184 -18.884 1.00 21.35 C ATOM 1161 NE1 TRP A 74 0.956 4.967 -20.624 1.00 61.22 N ATOM 1162 CE2 TRP A 74 0.520 5.850 -19.673 1.00 11.34 C ATOM 1163 CE3 TRP A 74 -1.043 5.876 -17.831 1.00 61.21 C ATOM 1164 CZ2 TRP A 74 0.885 7.173 -19.439 1.00 45.45 C ATOM 1165 CZ3 TRP A 74 -0.679 7.189 -17.601 1.00 22.22 C ATOM 1166 CH2 TRP A 74 0.277 7.827 -18.402 1.00 63.23 C ATOM 0 H TRP A 74 -2.520 1.383 -16.973 1.00 44.14 H new ATOM 0 HA TRP A 74 -0.120 1.110 -18.656 1.00 51.24 H new ATOM 0 HB2 TRP A 74 -1.926 2.263 -19.733 1.00 31.51 H new ATOM 0 HB3 TRP A 74 -2.268 3.225 -18.308 1.00 31.51 H new ATOM 0 HD1 TRP A 74 0.448 2.893 -21.068 1.00 70.43 H new ATOM 0 HE1 TRP A 74 1.654 5.165 -21.341 1.00 61.22 H new ATOM 0 HE3 TRP A 74 -1.782 5.393 -17.208 1.00 61.21 H new ATOM 0 HZ2 TRP A 74 1.623 7.666 -20.055 1.00 45.45 H new ATOM 0 HZ3 TRP A 74 -1.140 7.733 -16.790 1.00 22.22 H new ATOM 0 HH2 TRP A 74 0.539 8.854 -18.197 1.00 63.23 H new ATOM 1177 N CYS A 75 1.476 2.318 -17.214 1.00 33.31 N ATOM 1178 CA CYS A 75 2.449 2.946 -16.327 1.00 62.45 C ATOM 1179 C CYS A 75 2.474 4.457 -16.531 1.00 65.12 C ATOM 1180 O CYS A 75 2.741 4.956 -17.624 1.00 41.35 O ATOM 1181 CB CYS A 75 3.842 2.363 -16.571 1.00 31.52 C ATOM 1182 SG CYS A 75 4.541 1.500 -15.144 1.00 34.43 S ATOM 0 H CYS A 75 1.886 1.781 -17.978 1.00 33.31 H new ATOM 0 HA CYS A 75 2.152 2.741 -15.298 1.00 62.45 H new ATOM 0 HB2 CYS A 75 3.793 1.671 -17.412 1.00 31.52 H new ATOM 0 HB3 CYS A 75 4.516 3.169 -16.861 1.00 31.52 H new ATOM 0 HG CYS A 75 5.718 1.041 -15.449 1.00 34.43 H new ATOM 1188 N PRO A 76 2.189 5.204 -15.455 1.00 11.14 N ATOM 1189 CA PRO A 76 2.171 6.670 -15.490 1.00 62.51 C ATOM 1190 C PRO A 76 3.567 7.262 -15.653 1.00 14.31 C ATOM 1191 O PRO A 76 4.508 6.855 -14.972 1.00 13.14 O ATOM 1192 CB PRO A 76 1.584 7.050 -14.129 1.00 10.32 C ATOM 1193 CG PRO A 76 1.904 5.897 -13.242 1.00 72.42 C ATOM 1194 CD PRO A 76 1.862 4.676 -14.119 1.00 53.05 C ATOM 0 HA PRO A 76 1.600 7.051 -16.337 1.00 62.51 H new ATOM 0 HB2 PRO A 76 2.024 7.973 -13.752 1.00 10.32 H new ATOM 0 HB3 PRO A 76 0.508 7.213 -14.194 1.00 10.32 H new ATOM 0 HG2 PRO A 76 2.887 6.016 -12.786 1.00 72.42 H new ATOM 0 HG3 PRO A 76 1.183 5.818 -12.429 1.00 72.42 H new ATOM 0 HD2 PRO A 76 2.583 3.925 -13.796 1.00 53.05 H new ATOM 0 HD3 PRO A 76 0.880 4.203 -14.103 1.00 53.05 H new ATOM 1202 N ASP A 77 3.693 8.226 -16.559 1.00 20.42 N ATOM 1203 CA ASP A 77 4.974 8.876 -16.810 1.00 30.21 C ATOM 1204 C ASP A 77 5.178 10.057 -15.866 1.00 51.14 C ATOM 1205 O ASP A 77 6.186 10.757 -15.942 1.00 45.41 O ATOM 1206 CB ASP A 77 5.055 9.348 -18.263 1.00 34.44 C ATOM 1207 CG ASP A 77 6.335 8.906 -18.944 1.00 53.14 C ATOM 1208 OD1 ASP A 77 7.380 8.850 -18.264 1.00 20.02 O ATOM 1209 OD2 ASP A 77 6.291 8.618 -20.159 1.00 25.41 O ATOM 0 H ASP A 77 2.924 8.574 -17.131 1.00 20.42 H new ATOM 0 HA ASP A 77 5.765 8.148 -16.628 1.00 30.21 H new ATOM 0 HB2 ASP A 77 4.200 8.960 -18.816 1.00 34.44 H new ATOM 0 HB3 ASP A 77 4.988 10.435 -18.293 1.00 34.44 H new ATOM 1214 N ASN A 78 4.212 10.273 -14.979 1.00 24.52 N ATOM 1215 CA ASN A 78 4.285 11.370 -14.021 1.00 43.34 C ATOM 1216 C ASN A 78 5.028 10.943 -12.759 1.00 60.21 C ATOM 1217 O ASN A 78 5.681 11.756 -12.106 1.00 24.41 O ATOM 1218 CB ASN A 78 2.879 11.854 -13.660 1.00 64.13 C ATOM 1219 CG ASN A 78 2.877 13.269 -13.116 1.00 11.15 C ATOM 1220 OD1 ASN A 78 3.082 13.487 -11.921 1.00 70.23 O ATOM 1221 ND2 ASN A 78 2.644 14.240 -13.991 1.00 72.34 N ATOM 0 H ASN A 78 3.370 9.703 -14.904 1.00 24.52 H new ATOM 0 HA ASN A 78 4.836 12.188 -14.485 1.00 43.34 H new ATOM 0 HB2 ASN A 78 2.243 11.807 -14.544 1.00 64.13 H new ATOM 0 HB3 ASN A 78 2.445 11.182 -12.919 1.00 64.13 H new ATOM 0 HD21 ASN A 78 2.630 15.212 -13.682 1.00 72.34 H new ATOM 0 HD22 ASN A 78 2.479 14.014 -14.972 1.00 72.34 H new ATOM 1228 N ALA A 79 4.923 9.661 -12.423 1.00 11.43 N ATOM 1229 CA ALA A 79 5.586 9.125 -11.241 1.00 4.02 C ATOM 1230 C ALA A 79 5.252 7.650 -11.046 1.00 2.14 C ATOM 1231 O ALA A 79 4.479 7.275 -10.163 1.00 44.34 O ATOM 1232 CB ALA A 79 5.195 9.925 -10.007 1.00 73.31 C ATOM 0 H ALA A 79 4.385 8.975 -12.953 1.00 11.43 H new ATOM 0 HA ALA A 79 6.663 9.210 -11.389 1.00 4.02 H new ATOM 0 HB1 ALA A 79 5.698 9.513 -9.132 1.00 73.31 H new ATOM 0 HB2 ALA A 79 5.491 10.966 -10.139 1.00 73.31 H new ATOM 0 HB3 ALA A 79 4.116 9.870 -9.865 1.00 73.31 H new ATOM 1238 N PRO A 80 5.846 6.791 -11.888 1.00 2.45 N ATOM 1239 CA PRO A 80 5.626 5.343 -11.827 1.00 42.41 C ATOM 1240 C PRO A 80 6.252 4.713 -10.588 1.00 11.25 C ATOM 1241 O PRO A 80 5.802 3.669 -10.115 1.00 13.41 O ATOM 1242 CB PRO A 80 6.313 4.827 -13.094 1.00 11.10 C ATOM 1243 CG PRO A 80 7.350 5.850 -13.406 1.00 25.40 C ATOM 1244 CD PRO A 80 6.779 7.168 -12.963 1.00 51.00 C ATOM 0 HA PRO A 80 4.567 5.094 -11.768 1.00 42.41 H new ATOM 0 HB2 PRO A 80 6.761 3.847 -12.930 1.00 11.10 H new ATOM 0 HB3 PRO A 80 5.603 4.720 -13.914 1.00 11.10 H new ATOM 0 HG2 PRO A 80 8.282 5.633 -12.883 1.00 25.40 H new ATOM 0 HG3 PRO A 80 7.578 5.862 -14.472 1.00 25.40 H new ATOM 0 HD2 PRO A 80 7.556 7.842 -12.603 1.00 51.00 H new ATOM 0 HD3 PRO A 80 6.267 7.679 -13.779 1.00 51.00 H new ATOM 1252 N VAL A 81 7.292 5.354 -10.065 1.00 5.15 N ATOM 1253 CA VAL A 81 7.979 4.857 -8.878 1.00 62.23 C ATOM 1254 C VAL A 81 6.991 4.557 -7.756 1.00 43.45 C ATOM 1255 O VAL A 81 7.261 3.738 -6.878 1.00 63.34 O ATOM 1256 CB VAL A 81 9.025 5.867 -8.370 1.00 41.05 C ATOM 1257 CG1 VAL A 81 8.380 7.221 -8.116 1.00 23.13 C ATOM 1258 CG2 VAL A 81 9.703 5.345 -7.113 1.00 34.24 C ATOM 0 H VAL A 81 7.678 6.219 -10.444 1.00 5.15 H new ATOM 0 HA VAL A 81 8.485 3.936 -9.168 1.00 62.23 H new ATOM 0 HB VAL A 81 9.787 5.993 -9.139 1.00 41.05 H new ATOM 0 HG11 VAL A 81 9.134 7.922 -7.758 1.00 23.13 H new ATOM 0 HG12 VAL A 81 7.946 7.597 -9.043 1.00 23.13 H new ATOM 0 HG13 VAL A 81 7.597 7.116 -7.365 1.00 23.13 H new ATOM 0 HG21 VAL A 81 10.439 6.071 -6.768 1.00 34.24 H new ATOM 0 HG22 VAL A 81 8.956 5.188 -6.335 1.00 34.24 H new ATOM 0 HG23 VAL A 81 10.201 4.401 -7.334 1.00 34.24 H new ATOM 1268 N LYS A 82 5.844 5.227 -7.791 1.00 41.05 N ATOM 1269 CA LYS A 82 4.813 5.033 -6.779 1.00 70.41 C ATOM 1270 C LYS A 82 4.009 3.767 -7.058 1.00 33.22 C ATOM 1271 O LYS A 82 4.028 2.808 -6.286 1.00 20.30 O ATOM 1272 CB LYS A 82 3.879 6.244 -6.734 1.00 75.32 C ATOM 1273 CG LYS A 82 4.077 7.120 -5.509 1.00 72.24 C ATOM 1274 CD LYS A 82 5.048 8.255 -5.787 1.00 24.41 C ATOM 1275 CE LYS A 82 5.429 8.988 -4.510 1.00 33.44 C ATOM 1276 NZ LYS A 82 6.051 10.310 -4.793 1.00 45.25 N ATOM 0 H LYS A 82 5.605 5.910 -8.510 1.00 41.05 H new ATOM 0 HA LYS A 82 5.304 4.925 -5.812 1.00 70.41 H new ATOM 0 HB2 LYS A 82 4.035 6.846 -7.629 1.00 75.32 H new ATOM 0 HB3 LYS A 82 2.846 5.897 -6.759 1.00 75.32 H new ATOM 0 HG2 LYS A 82 3.117 7.530 -5.195 1.00 72.24 H new ATOM 0 HG3 LYS A 82 4.451 6.514 -4.684 1.00 72.24 H new ATOM 0 HD2 LYS A 82 5.946 7.859 -6.262 1.00 24.41 H new ATOM 0 HD3 LYS A 82 4.598 8.956 -6.490 1.00 24.41 H new ATOM 0 HE2 LYS A 82 4.541 9.129 -3.894 1.00 33.44 H new ATOM 0 HE3 LYS A 82 6.123 8.376 -3.934 1.00 33.44 H new ATOM 0 HZ1 LYS A 82 6.296 10.777 -3.897 1.00 45.25 H new ATOM 0 HZ2 LYS A 82 6.913 10.174 -5.359 1.00 45.25 H new ATOM 0 HZ3 LYS A 82 5.380 10.904 -5.321 1.00 45.25 H new ATOM 1290 N PRO A 83 3.285 3.761 -8.187 1.00 63.13 N ATOM 1291 CA PRO A 83 2.463 2.618 -8.594 1.00 74.14 C ATOM 1292 C PRO A 83 3.305 1.417 -9.011 1.00 74.15 C ATOM 1293 O PRO A 83 3.117 0.310 -8.506 1.00 4.22 O ATOM 1294 CB PRO A 83 1.672 3.158 -9.789 1.00 62.40 C ATOM 1295 CG PRO A 83 2.516 4.257 -10.336 1.00 33.10 C ATOM 1296 CD PRO A 83 3.215 4.869 -9.154 1.00 43.31 C ATOM 0 HA PRO A 83 1.836 2.256 -7.779 1.00 74.14 H new ATOM 0 HB2 PRO A 83 1.501 2.381 -10.534 1.00 62.40 H new ATOM 0 HB3 PRO A 83 0.693 3.526 -9.482 1.00 62.40 H new ATOM 0 HG2 PRO A 83 3.236 3.873 -11.059 1.00 33.10 H new ATOM 0 HG3 PRO A 83 1.906 4.997 -10.855 1.00 33.10 H new ATOM 0 HD2 PRO A 83 4.207 5.234 -9.419 1.00 43.31 H new ATOM 0 HD3 PRO A 83 2.660 5.717 -8.754 1.00 43.31 H new ATOM 1304 N ARG A 84 4.232 1.643 -9.936 1.00 62.20 N ATOM 1305 CA ARG A 84 5.102 0.578 -10.421 1.00 44.52 C ATOM 1306 C ARG A 84 5.691 -0.215 -9.258 1.00 74.44 C ATOM 1307 O ARG A 84 5.938 -1.415 -9.376 1.00 23.15 O ATOM 1308 CB ARG A 84 6.229 1.162 -11.276 1.00 71.42 C ATOM 1309 CG ARG A 84 7.045 0.109 -12.008 1.00 44.00 C ATOM 1310 CD ARG A 84 8.474 0.575 -12.241 1.00 61.03 C ATOM 1311 NE ARG A 84 8.941 0.257 -13.588 1.00 74.31 N ATOM 1312 CZ ARG A 84 10.193 0.433 -13.993 1.00 5.23 C ATOM 1313 NH1 ARG A 84 11.100 0.922 -13.158 1.00 44.44 N ATOM 1314 NH2 ARG A 84 10.541 0.120 -15.234 1.00 64.32 N ATOM 0 H ARG A 84 4.400 2.553 -10.364 1.00 62.20 H new ATOM 0 HA ARG A 84 4.503 -0.097 -11.032 1.00 44.52 H new ATOM 0 HB2 ARG A 84 5.801 1.850 -12.005 1.00 71.42 H new ATOM 0 HB3 ARG A 84 6.893 1.746 -10.638 1.00 71.42 H new ATOM 0 HG2 ARG A 84 7.052 -0.815 -11.429 1.00 44.00 H new ATOM 0 HG3 ARG A 84 6.574 -0.118 -12.965 1.00 44.00 H new ATOM 0 HD2 ARG A 84 8.535 1.651 -12.081 1.00 61.03 H new ATOM 0 HD3 ARG A 84 9.132 0.106 -11.509 1.00 61.03 H new ATOM 0 HE ARG A 84 8.268 -0.121 -14.254 1.00 74.31 H new ATOM 0 HH11 ARG A 84 10.836 1.164 -12.203 1.00 44.44 H new ATOM 0 HH12 ARG A 84 12.061 1.056 -13.471 1.00 44.44 H new ATOM 0 HH21 ARG A 84 9.846 -0.257 -15.879 1.00 64.32 H new ATOM 0 HH22 ARG A 84 11.503 0.256 -15.543 1.00 64.32 H new ATOM 1328 N MET A 85 5.912 0.463 -8.137 1.00 41.34 N ATOM 1329 CA MET A 85 6.471 -0.179 -6.953 1.00 74.03 C ATOM 1330 C MET A 85 5.365 -0.759 -6.077 1.00 0.44 C ATOM 1331 O MET A 85 5.387 -1.941 -5.731 1.00 50.44 O ATOM 1332 CB MET A 85 7.304 0.821 -6.149 1.00 54.13 C ATOM 1333 CG MET A 85 8.614 1.199 -6.821 1.00 11.22 C ATOM 1334 SD MET A 85 9.801 -0.158 -6.841 1.00 73.05 S ATOM 1335 CE MET A 85 11.055 0.472 -5.728 1.00 73.24 C ATOM 0 H MET A 85 5.713 1.457 -8.023 1.00 41.34 H new ATOM 0 HA MET A 85 7.115 -0.994 -7.282 1.00 74.03 H new ATOM 0 HB2 MET A 85 6.715 1.724 -5.986 1.00 54.13 H new ATOM 0 HB3 MET A 85 7.517 0.398 -5.168 1.00 54.13 H new ATOM 0 HG2 MET A 85 8.414 1.517 -7.844 1.00 11.22 H new ATOM 0 HG3 MET A 85 9.051 2.052 -6.302 1.00 11.22 H new ATOM 0 HE1 MET A 85 11.860 -0.257 -5.637 1.00 73.24 H new ATOM 0 HE2 MET A 85 11.455 1.406 -6.122 1.00 73.24 H new ATOM 0 HE3 MET A 85 10.614 0.651 -4.747 1.00 73.24 H new ATOM 1345 N THR A 86 4.398 0.081 -5.719 1.00 23.14 N ATOM 1346 CA THR A 86 3.285 -0.348 -4.881 1.00 42.31 C ATOM 1347 C THR A 86 2.537 -1.514 -5.516 1.00 20.43 C ATOM 1348 O THR A 86 2.501 -2.615 -4.965 1.00 4.12 O ATOM 1349 CB THR A 86 2.296 0.805 -4.629 1.00 13.45 C ATOM 1350 OG1 THR A 86 2.874 1.760 -3.731 1.00 61.31 O ATOM 1351 CG2 THR A 86 0.991 0.281 -4.048 1.00 10.53 C ATOM 0 H THR A 86 4.364 1.062 -5.996 1.00 23.14 H new ATOM 0 HA THR A 86 3.710 -0.667 -3.929 1.00 42.31 H new ATOM 0 HB THR A 86 2.084 1.287 -5.583 1.00 13.45 H new ATOM 0 HG1 THR A 86 3.410 2.404 -4.239 1.00 61.31 H new ATOM 0 HG21 THR A 86 0.308 1.113 -3.878 1.00 10.53 H new ATOM 0 HG22 THR A 86 0.539 -0.423 -4.746 1.00 10.53 H new ATOM 0 HG23 THR A 86 1.190 -0.223 -3.102 1.00 10.53 H new ATOM 1359 N TYR A 87 1.941 -1.267 -6.677 1.00 21.32 N ATOM 1360 CA TYR A 87 1.192 -2.298 -7.386 1.00 12.22 C ATOM 1361 C TYR A 87 2.021 -3.570 -7.533 1.00 73.03 C ATOM 1362 O TYR A 87 1.478 -4.666 -7.669 1.00 55.24 O ATOM 1363 CB TYR A 87 0.766 -1.791 -8.765 1.00 11.44 C ATOM 1364 CG TYR A 87 0.387 -2.895 -9.726 1.00 11.25 C ATOM 1365 CD1 TYR A 87 -0.636 -3.785 -9.423 1.00 13.22 C ATOM 1366 CD2 TYR A 87 1.052 -3.049 -10.935 1.00 44.23 C ATOM 1367 CE1 TYR A 87 -0.986 -4.796 -10.297 1.00 44.22 C ATOM 1368 CE2 TYR A 87 0.709 -4.056 -11.816 1.00 51.34 C ATOM 1369 CZ TYR A 87 -0.311 -4.927 -11.493 1.00 5.32 C ATOM 1370 OH TYR A 87 -0.655 -5.932 -12.367 1.00 42.02 O ATOM 0 H TYR A 87 1.962 -0.362 -7.147 1.00 21.32 H new ATOM 0 HA TYR A 87 0.302 -2.532 -6.801 1.00 12.22 H new ATOM 0 HB2 TYR A 87 -0.081 -1.115 -8.648 1.00 11.44 H new ATOM 0 HB3 TYR A 87 1.581 -1.209 -9.196 1.00 11.44 H new ATOM 0 HD1 TYR A 87 -1.167 -3.685 -8.488 1.00 13.22 H new ATOM 0 HD2 TYR A 87 1.851 -2.370 -11.191 1.00 44.23 H new ATOM 0 HE1 TYR A 87 -1.783 -5.480 -10.045 1.00 44.22 H new ATOM 0 HE2 TYR A 87 1.236 -4.161 -12.753 1.00 51.34 H new ATOM 0 HH TYR A 87 -1.183 -6.610 -11.895 1.00 42.02 H new ATOM 1380 N ALA A 88 3.340 -3.415 -7.504 1.00 64.24 N ATOM 1381 CA ALA A 88 4.246 -4.550 -7.632 1.00 33.41 C ATOM 1382 C ALA A 88 4.078 -5.520 -6.467 1.00 0.11 C ATOM 1383 O ALA A 88 3.715 -6.680 -6.660 1.00 21.23 O ATOM 1384 CB ALA A 88 5.687 -4.069 -7.718 1.00 34.34 C ATOM 0 H ALA A 88 3.806 -2.514 -7.393 1.00 64.24 H new ATOM 0 HA ALA A 88 3.997 -5.080 -8.551 1.00 33.41 H new ATOM 0 HB1 ALA A 88 6.352 -4.927 -7.813 1.00 34.34 H new ATOM 0 HB2 ALA A 88 5.803 -3.422 -8.587 1.00 34.34 H new ATOM 0 HB3 ALA A 88 5.939 -3.513 -6.815 1.00 34.34 H new ATOM 1390 N SER A 89 4.345 -5.037 -5.258 1.00 3.32 N ATOM 1391 CA SER A 89 4.228 -5.862 -4.062 1.00 22.44 C ATOM 1392 C SER A 89 2.799 -5.844 -3.527 1.00 25.43 C ATOM 1393 O SER A 89 2.510 -6.422 -2.479 1.00 73.22 O ATOM 1394 CB SER A 89 5.195 -5.373 -2.982 1.00 23.12 C ATOM 1395 OG SER A 89 6.231 -6.315 -2.760 1.00 51.41 O ATOM 0 H SER A 89 4.644 -4.078 -5.081 1.00 3.32 H new ATOM 0 HA SER A 89 4.484 -6.887 -4.331 1.00 22.44 H new ATOM 0 HB2 SER A 89 5.626 -4.418 -3.281 1.00 23.12 H new ATOM 0 HB3 SER A 89 4.651 -5.201 -2.053 1.00 23.12 H new ATOM 0 HG SER A 89 6.836 -5.978 -2.067 1.00 51.41 H new ATOM 1401 N SER A 90 1.910 -5.176 -4.255 1.00 23.25 N ATOM 1402 CA SER A 90 0.512 -5.079 -3.853 1.00 10.45 C ATOM 1403 C SER A 90 -0.354 -6.040 -4.661 1.00 51.21 C ATOM 1404 O SER A 90 -1.404 -6.487 -4.199 1.00 70.11 O ATOM 1405 CB SER A 90 0.007 -3.646 -4.031 1.00 52.42 C ATOM 1406 OG SER A 90 -1.406 -3.588 -3.938 1.00 51.40 O ATOM 0 H SER A 90 2.133 -4.694 -5.126 1.00 23.25 H new ATOM 0 HA SER A 90 0.442 -5.353 -2.800 1.00 10.45 H new ATOM 0 HB2 SER A 90 0.451 -3.003 -3.271 1.00 52.42 H new ATOM 0 HB3 SER A 90 0.327 -3.262 -5.000 1.00 52.42 H new ATOM 0 HG SER A 90 -1.693 -2.652 -3.893 1.00 51.40 H new ATOM 1412 N LYS A 91 0.094 -6.354 -5.872 1.00 53.51 N ATOM 1413 CA LYS A 91 -0.637 -7.262 -6.747 1.00 34.30 C ATOM 1414 C LYS A 91 -0.984 -8.557 -6.019 1.00 73.10 C ATOM 1415 O LYS A 91 -1.981 -9.209 -6.332 1.00 43.34 O ATOM 1416 CB LYS A 91 0.188 -7.573 -7.998 1.00 32.33 C ATOM 1417 CG LYS A 91 1.302 -8.578 -7.757 1.00 54.33 C ATOM 1418 CD LYS A 91 2.478 -8.339 -8.689 1.00 22.22 C ATOM 1419 CE LYS A 91 3.715 -9.095 -8.228 1.00 45.35 C ATOM 1420 NZ LYS A 91 4.962 -8.525 -8.811 1.00 11.21 N ATOM 0 H LYS A 91 0.961 -5.992 -6.270 1.00 53.51 H new ATOM 0 HA LYS A 91 -1.565 -6.772 -7.044 1.00 34.30 H new ATOM 0 HB2 LYS A 91 -0.474 -7.956 -8.774 1.00 32.33 H new ATOM 0 HB3 LYS A 91 0.621 -6.647 -8.377 1.00 32.33 H new ATOM 0 HG2 LYS A 91 1.637 -8.510 -6.722 1.00 54.33 H new ATOM 0 HG3 LYS A 91 0.920 -9.588 -7.903 1.00 54.33 H new ATOM 0 HD2 LYS A 91 2.213 -8.653 -9.699 1.00 22.22 H new ATOM 0 HD3 LYS A 91 2.698 -7.272 -8.734 1.00 22.22 H new ATOM 0 HE2 LYS A 91 3.775 -9.064 -7.140 1.00 45.35 H new ATOM 0 HE3 LYS A 91 3.627 -10.144 -8.513 1.00 45.35 H new ATOM 0 HZ1 LYS A 91 5.783 -9.067 -8.473 1.00 11.21 H new ATOM 0 HZ2 LYS A 91 4.916 -8.578 -9.849 1.00 11.21 H new ATOM 0 HZ3 LYS A 91 5.059 -7.532 -8.519 1.00 11.21 H new ATOM 1434 N ASP A 92 -0.157 -8.923 -5.046 1.00 72.11 N ATOM 1435 CA ASP A 92 -0.378 -10.139 -4.272 1.00 12.13 C ATOM 1436 C ASP A 92 -1.793 -10.171 -3.702 1.00 40.30 C ATOM 1437 O ASP A 92 -2.356 -11.240 -3.473 1.00 33.53 O ATOM 1438 CB ASP A 92 0.644 -10.240 -3.138 1.00 53.22 C ATOM 1439 CG ASP A 92 2.058 -10.432 -3.649 1.00 61.22 C ATOM 1440 OD1 ASP A 92 2.400 -11.570 -4.034 1.00 11.13 O ATOM 1441 OD2 ASP A 92 2.823 -9.445 -3.664 1.00 24.33 O ATOM 0 H ASP A 92 0.672 -8.395 -4.774 1.00 72.11 H new ATOM 0 HA ASP A 92 -0.255 -10.992 -4.939 1.00 12.13 H new ATOM 0 HB2 ASP A 92 0.600 -9.336 -2.531 1.00 53.22 H new ATOM 0 HB3 ASP A 92 0.379 -11.074 -2.487 1.00 53.22 H new ATOM 1446 N ALA A 93 -2.361 -8.991 -3.475 1.00 43.31 N ATOM 1447 CA ALA A 93 -3.710 -8.884 -2.933 1.00 44.52 C ATOM 1448 C ALA A 93 -4.738 -8.727 -4.048 1.00 52.10 C ATOM 1449 O ALA A 93 -5.730 -9.455 -4.098 1.00 72.34 O ATOM 1450 CB ALA A 93 -3.797 -7.715 -1.963 1.00 54.53 C ATOM 0 H ALA A 93 -1.908 -8.096 -3.658 1.00 43.31 H new ATOM 0 HA ALA A 93 -3.934 -9.805 -2.395 1.00 44.52 H new ATOM 0 HB1 ALA A 93 -4.810 -7.646 -1.566 1.00 54.53 H new ATOM 0 HB2 ALA A 93 -3.095 -7.869 -1.143 1.00 54.53 H new ATOM 0 HB3 ALA A 93 -3.548 -6.790 -2.484 1.00 54.53 H new ATOM 1456 N LEU A 94 -4.496 -7.772 -4.940 1.00 34.33 N ATOM 1457 CA LEU A 94 -5.403 -7.519 -6.054 1.00 63.45 C ATOM 1458 C LEU A 94 -5.705 -8.807 -6.813 1.00 72.54 C ATOM 1459 O LEU A 94 -6.865 -9.195 -6.963 1.00 22.13 O ATOM 1460 CB LEU A 94 -4.798 -6.484 -7.005 1.00 22.35 C ATOM 1461 CG LEU A 94 -4.834 -5.032 -6.526 1.00 62.42 C ATOM 1462 CD1 LEU A 94 -6.232 -4.659 -6.057 1.00 64.34 C ATOM 1463 CD2 LEU A 94 -3.819 -4.812 -5.413 1.00 75.14 C ATOM 0 H LEU A 94 -3.680 -7.161 -4.913 1.00 34.33 H new ATOM 0 HA LEU A 94 -6.337 -7.130 -5.649 1.00 63.45 H new ATOM 0 HB2 LEU A 94 -3.760 -6.757 -7.195 1.00 22.35 H new ATOM 0 HB3 LEU A 94 -5.323 -6.545 -7.958 1.00 22.35 H new ATOM 0 HG LEU A 94 -4.570 -4.386 -7.364 1.00 62.42 H new ATOM 0 HD11 LEU A 94 -6.238 -3.622 -5.720 1.00 64.34 H new ATOM 0 HD12 LEU A 94 -6.936 -4.777 -6.881 1.00 64.34 H new ATOM 0 HD13 LEU A 94 -6.525 -5.310 -5.234 1.00 64.34 H new ATOM 0 HD21 LEU A 94 -3.859 -3.773 -5.085 1.00 75.14 H new ATOM 0 HD22 LEU A 94 -4.052 -5.467 -4.574 1.00 75.14 H new ATOM 0 HD23 LEU A 94 -2.819 -5.038 -5.783 1.00 75.14 H new ATOM 1475 N LEU A 95 -4.655 -9.468 -7.289 1.00 54.13 N ATOM 1476 CA LEU A 95 -4.808 -10.715 -8.031 1.00 41.32 C ATOM 1477 C LEU A 95 -5.489 -11.778 -7.176 1.00 15.45 C ATOM 1478 O LEU A 95 -6.085 -12.721 -7.696 1.00 31.32 O ATOM 1479 CB LEU A 95 -3.444 -11.221 -8.503 1.00 5.25 C ATOM 1480 CG LEU A 95 -2.967 -10.702 -9.860 1.00 14.12 C ATOM 1481 CD1 LEU A 95 -1.453 -10.789 -9.963 1.00 5.51 C ATOM 1482 CD2 LEU A 95 -3.626 -11.480 -10.989 1.00 70.33 C ATOM 0 H LEU A 95 -3.689 -9.161 -7.174 1.00 54.13 H new ATOM 0 HA LEU A 95 -5.436 -10.517 -8.900 1.00 41.32 H new ATOM 0 HB2 LEU A 95 -2.700 -10.953 -7.753 1.00 5.25 H new ATOM 0 HB3 LEU A 95 -3.477 -12.310 -8.544 1.00 5.25 H new ATOM 0 HG LEU A 95 -3.256 -9.655 -9.949 1.00 14.12 H new ATOM 0 HD11 LEU A 95 -1.132 -10.415 -10.935 1.00 5.51 H new ATOM 0 HD12 LEU A 95 -1.000 -10.187 -9.175 1.00 5.51 H new ATOM 0 HD13 LEU A 95 -1.140 -11.827 -9.852 1.00 5.51 H new ATOM 0 HD21 LEU A 95 -3.275 -11.098 -11.948 1.00 70.33 H new ATOM 0 HD22 LEU A 95 -3.367 -12.535 -10.903 1.00 70.33 H new ATOM 0 HD23 LEU A 95 -4.708 -11.365 -10.927 1.00 70.33 H new ATOM 1494 N LYS A 96 -5.400 -11.617 -5.860 1.00 22.34 N ATOM 1495 CA LYS A 96 -6.010 -12.560 -4.930 1.00 73.31 C ATOM 1496 C LYS A 96 -7.490 -12.249 -4.733 1.00 14.02 C ATOM 1497 O LYS A 96 -8.296 -13.145 -4.479 1.00 23.01 O ATOM 1498 CB LYS A 96 -5.286 -12.521 -3.583 1.00 20.35 C ATOM 1499 CG LYS A 96 -4.269 -13.636 -3.406 1.00 51.40 C ATOM 1500 CD LYS A 96 -3.280 -13.676 -4.559 1.00 10.21 C ATOM 1501 CE LYS A 96 -3.702 -14.680 -5.620 1.00 64.42 C ATOM 1502 NZ LYS A 96 -2.648 -15.704 -5.864 1.00 71.24 N ATOM 0 H LYS A 96 -4.911 -10.841 -5.413 1.00 22.34 H new ATOM 0 HA LYS A 96 -5.920 -13.560 -5.354 1.00 73.31 H new ATOM 0 HB2 LYS A 96 -4.781 -11.560 -3.479 1.00 20.35 H new ATOM 0 HB3 LYS A 96 -6.023 -12.582 -2.782 1.00 20.35 H new ATOM 0 HG2 LYS A 96 -3.731 -13.494 -2.469 1.00 51.40 H new ATOM 0 HG3 LYS A 96 -4.786 -14.593 -3.335 1.00 51.40 H new ATOM 0 HD2 LYS A 96 -3.200 -12.685 -5.006 1.00 10.21 H new ATOM 0 HD3 LYS A 96 -2.291 -13.937 -4.183 1.00 10.21 H new ATOM 0 HE2 LYS A 96 -4.622 -15.173 -5.308 1.00 64.42 H new ATOM 0 HE3 LYS A 96 -3.921 -14.155 -6.550 1.00 64.42 H new ATOM 0 HZ1 LYS A 96 -2.973 -16.370 -6.593 1.00 71.24 H new ATOM 0 HZ2 LYS A 96 -1.777 -15.236 -6.186 1.00 71.24 H new ATOM 0 HZ3 LYS A 96 -2.457 -16.222 -4.983 1.00 71.24 H new ATOM 1516 N LYS A 97 -7.843 -10.974 -4.852 1.00 51.55 N ATOM 1517 CA LYS A 97 -9.227 -10.543 -4.690 1.00 63.32 C ATOM 1518 C LYS A 97 -10.005 -10.713 -5.991 1.00 34.42 C ATOM 1519 O LYS A 97 -11.117 -10.202 -6.132 1.00 71.01 O ATOM 1520 CB LYS A 97 -9.279 -9.082 -4.240 1.00 5.32 C ATOM 1521 CG LYS A 97 -8.683 -8.848 -2.862 1.00 62.23 C ATOM 1522 CD LYS A 97 -9.361 -9.708 -1.809 1.00 1.24 C ATOM 1523 CE LYS A 97 -8.442 -10.816 -1.318 1.00 31.22 C ATOM 1524 NZ LYS A 97 -8.896 -11.376 -0.015 1.00 22.43 N ATOM 0 H LYS A 97 -7.189 -10.220 -5.060 1.00 51.55 H new ATOM 0 HA LYS A 97 -9.689 -11.168 -3.926 1.00 63.32 H new ATOM 0 HB2 LYS A 97 -8.746 -8.468 -4.966 1.00 5.32 H new ATOM 0 HB3 LYS A 97 -10.316 -8.747 -4.240 1.00 5.32 H new ATOM 0 HG2 LYS A 97 -7.616 -9.070 -2.883 1.00 62.23 H new ATOM 0 HG3 LYS A 97 -8.784 -7.796 -2.595 1.00 62.23 H new ATOM 0 HD2 LYS A 97 -9.663 -9.084 -0.967 1.00 1.24 H new ATOM 0 HD3 LYS A 97 -10.269 -10.145 -2.224 1.00 1.24 H new ATOM 0 HE2 LYS A 97 -8.403 -11.612 -2.062 1.00 31.22 H new ATOM 0 HE3 LYS A 97 -7.429 -10.428 -1.213 1.00 31.22 H new ATOM 0 HZ1 LYS A 97 -8.244 -12.128 0.286 1.00 22.43 H new ATOM 0 HZ2 LYS A 97 -8.909 -10.622 0.701 1.00 22.43 H new ATOM 0 HZ3 LYS A 97 -9.853 -11.769 -0.121 1.00 22.43 H new ATOM 1538 N LEU A 98 -9.416 -11.435 -6.938 1.00 33.35 N ATOM 1539 CA LEU A 98 -10.056 -11.674 -8.227 1.00 22.43 C ATOM 1540 C LEU A 98 -10.488 -13.131 -8.358 1.00 71.23 C ATOM 1541 O LEU A 98 -10.288 -13.933 -7.446 1.00 64.42 O ATOM 1542 CB LEU A 98 -9.103 -11.308 -9.366 1.00 74.24 C ATOM 1543 CG LEU A 98 -9.097 -9.839 -9.789 1.00 45.25 C ATOM 1544 CD1 LEU A 98 -9.493 -8.946 -8.624 1.00 52.10 C ATOM 1545 CD2 LEU A 98 -7.728 -9.444 -10.324 1.00 64.22 C ATOM 0 H LEU A 98 -8.497 -11.865 -6.838 1.00 33.35 H new ATOM 0 HA LEU A 98 -10.944 -11.044 -8.287 1.00 22.43 H new ATOM 0 HB2 LEU A 98 -8.091 -11.584 -9.069 1.00 74.24 H new ATOM 0 HB3 LEU A 98 -9.357 -11.915 -10.235 1.00 74.24 H new ATOM 0 HG LEU A 98 -9.829 -9.708 -10.586 1.00 45.25 H new ATOM 0 HD11 LEU A 98 -9.483 -7.904 -8.944 1.00 52.10 H new ATOM 0 HD12 LEU A 98 -10.494 -9.212 -8.286 1.00 52.10 H new ATOM 0 HD13 LEU A 98 -8.786 -9.081 -7.806 1.00 52.10 H new ATOM 0 HD21 LEU A 98 -7.742 -8.395 -10.620 1.00 64.22 H new ATOM 0 HD22 LEU A 98 -6.977 -9.592 -9.548 1.00 64.22 H new ATOM 0 HD23 LEU A 98 -7.483 -10.062 -11.188 1.00 64.22 H new ATOM 1557 N ASP A 99 -11.080 -13.466 -9.499 1.00 71.43 N ATOM 1558 CA ASP A 99 -11.538 -14.828 -9.752 1.00 42.31 C ATOM 1559 C ASP A 99 -11.098 -15.301 -11.134 1.00 55.12 C ATOM 1560 O ASP A 99 -11.694 -14.933 -12.146 1.00 34.42 O ATOM 1561 CB ASP A 99 -13.061 -14.907 -9.632 1.00 44.05 C ATOM 1562 CG ASP A 99 -13.559 -16.335 -9.526 1.00 54.31 C ATOM 1563 OD1 ASP A 99 -13.062 -17.073 -8.651 1.00 4.12 O ATOM 1564 OD2 ASP A 99 -14.447 -16.714 -10.319 1.00 20.01 O ATOM 0 H ASP A 99 -11.254 -12.814 -10.264 1.00 71.43 H new ATOM 0 HA ASP A 99 -11.089 -15.482 -9.004 1.00 42.31 H new ATOM 0 HB2 ASP A 99 -13.383 -14.347 -8.754 1.00 44.05 H new ATOM 0 HB3 ASP A 99 -13.516 -14.430 -10.500 1.00 44.05 H new ATOM 1569 N GLY A 100 -10.050 -16.118 -11.169 1.00 33.30 N ATOM 1570 CA GLY A 100 -9.548 -16.627 -12.432 1.00 31.32 C ATOM 1571 C GLY A 100 -8.405 -15.795 -12.979 1.00 32.31 C ATOM 1572 O GLY A 100 -7.713 -16.213 -13.907 1.00 14.01 O ATOM 0 H GLY A 100 -9.540 -16.437 -10.345 1.00 33.30 H new ATOM 0 HA2 GLY A 100 -9.213 -17.656 -12.298 1.00 31.32 H new ATOM 0 HA3 GLY A 100 -10.359 -16.648 -13.160 1.00 31.32 H new ATOM 1576 N ALA A 101 -8.208 -14.614 -12.404 1.00 5.41 N ATOM 1577 CA ALA A 101 -7.141 -13.721 -12.839 1.00 64.05 C ATOM 1578 C ALA A 101 -5.803 -14.451 -12.898 1.00 33.55 C ATOM 1579 O ALA A 101 -5.316 -14.959 -11.887 1.00 0.55 O ATOM 1580 CB ALA A 101 -7.047 -12.518 -11.912 1.00 74.15 C ATOM 0 H ALA A 101 -8.773 -14.253 -11.636 1.00 5.41 H new ATOM 0 HA ALA A 101 -7.380 -13.373 -13.844 1.00 64.05 H new ATOM 0 HB1 ALA A 101 -6.246 -11.860 -12.249 1.00 74.15 H new ATOM 0 HB2 ALA A 101 -7.992 -11.975 -11.924 1.00 74.15 H new ATOM 0 HB3 ALA A 101 -6.836 -12.856 -10.898 1.00 74.15 H new ATOM 1586 N THR A 102 -5.213 -14.503 -14.088 1.00 12.32 N ATOM 1587 CA THR A 102 -3.933 -15.173 -14.278 1.00 51.20 C ATOM 1588 C THR A 102 -2.813 -14.164 -14.506 1.00 71.23 C ATOM 1589 O THR A 102 -2.988 -12.967 -14.281 1.00 24.22 O ATOM 1590 CB THR A 102 -3.981 -16.148 -15.469 1.00 70.04 C ATOM 1591 OG1 THR A 102 -3.929 -15.420 -16.701 1.00 53.41 O ATOM 1592 CG2 THR A 102 -5.245 -16.993 -15.427 1.00 14.14 C ATOM 0 H THR A 102 -5.602 -14.089 -14.935 1.00 12.32 H new ATOM 0 HA THR A 102 -3.732 -15.735 -13.366 1.00 51.20 H new ATOM 0 HB THR A 102 -3.118 -16.810 -15.402 1.00 70.04 H new ATOM 0 HG1 THR A 102 -3.958 -16.047 -17.453 1.00 53.41 H new ATOM 0 HG21 THR A 102 -5.256 -17.674 -16.278 1.00 14.14 H new ATOM 0 HG22 THR A 102 -5.267 -17.569 -14.502 1.00 14.14 H new ATOM 0 HG23 THR A 102 -6.119 -16.343 -15.471 1.00 14.14 H new ATOM 1600 N ALA A 103 -1.663 -14.656 -14.956 1.00 10.33 N ATOM 1601 CA ALA A 103 -0.515 -13.796 -15.217 1.00 72.33 C ATOM 1602 C ALA A 103 -0.542 -13.265 -16.646 1.00 44.33 C ATOM 1603 O ALA A 103 0.465 -12.772 -17.155 1.00 3.43 O ATOM 1604 CB ALA A 103 0.780 -14.551 -14.957 1.00 32.41 C ATOM 0 H ALA A 103 -1.502 -15.645 -15.147 1.00 10.33 H new ATOM 0 HA ALA A 103 -0.568 -12.944 -14.539 1.00 72.33 H new ATOM 0 HB1 ALA A 103 1.629 -13.897 -15.156 1.00 32.41 H new ATOM 0 HB2 ALA A 103 0.809 -14.877 -13.917 1.00 32.41 H new ATOM 0 HB3 ALA A 103 0.831 -15.421 -15.611 1.00 32.41 H new ATOM 1610 N VAL A 104 -1.700 -13.369 -17.290 1.00 41.12 N ATOM 1611 CA VAL A 104 -1.857 -12.898 -18.661 1.00 75.11 C ATOM 1612 C VAL A 104 -1.958 -11.378 -18.712 1.00 14.21 C ATOM 1613 O VAL A 104 -2.117 -10.792 -19.782 1.00 50.52 O ATOM 1614 CB VAL A 104 -3.108 -13.507 -19.323 1.00 64.14 C ATOM 1615 CG1 VAL A 104 -4.373 -12.914 -18.722 1.00 61.24 C ATOM 1616 CG2 VAL A 104 -3.071 -13.292 -20.829 1.00 1.51 C ATOM 0 H VAL A 104 -2.543 -13.775 -16.884 1.00 41.12 H new ATOM 0 HA VAL A 104 -0.971 -13.219 -19.209 1.00 75.11 H new ATOM 0 HB VAL A 104 -3.113 -14.580 -19.132 1.00 64.14 H new ATOM 0 HG11 VAL A 104 -5.246 -13.356 -19.202 1.00 61.24 H new ATOM 0 HG12 VAL A 104 -4.401 -13.125 -17.653 1.00 61.24 H new ATOM 0 HG13 VAL A 104 -4.380 -11.835 -18.880 1.00 61.24 H new ATOM 0 HG21 VAL A 104 -3.962 -13.728 -21.281 1.00 1.51 H new ATOM 0 HG22 VAL A 104 -3.041 -12.224 -21.043 1.00 1.51 H new ATOM 0 HG23 VAL A 104 -2.183 -13.770 -21.243 1.00 1.51 H new ATOM 1626 N ALA A 105 -1.865 -10.745 -17.547 1.00 42.21 N ATOM 1627 CA ALA A 105 -1.943 -9.292 -17.459 1.00 0.03 C ATOM 1628 C ALA A 105 -0.877 -8.631 -18.326 1.00 70.11 C ATOM 1629 O ALA A 105 0.087 -9.275 -18.741 1.00 63.34 O ATOM 1630 CB ALA A 105 -1.802 -8.843 -16.012 1.00 1.11 C ATOM 0 H ALA A 105 -1.736 -11.216 -16.651 1.00 42.21 H new ATOM 0 HA ALA A 105 -2.920 -8.982 -17.831 1.00 0.03 H new ATOM 0 HB1 ALA A 105 -1.862 -7.756 -15.961 1.00 1.11 H new ATOM 0 HB2 ALA A 105 -2.604 -9.279 -15.416 1.00 1.11 H new ATOM 0 HB3 ALA A 105 -0.839 -9.172 -15.621 1.00 1.11 H new ATOM 1636 N LEU A 106 -1.057 -7.343 -18.597 1.00 64.11 N ATOM 1637 CA LEU A 106 -0.110 -6.594 -19.416 1.00 61.45 C ATOM 1638 C LEU A 106 0.133 -5.205 -18.836 1.00 22.13 C ATOM 1639 O LEU A 106 -0.785 -4.568 -18.322 1.00 34.04 O ATOM 1640 CB LEU A 106 -0.628 -6.477 -20.851 1.00 13.52 C ATOM 1641 CG LEU A 106 -0.128 -5.272 -21.649 1.00 2.15 C ATOM 1642 CD1 LEU A 106 1.376 -5.360 -21.861 1.00 15.51 C ATOM 1643 CD2 LEU A 106 -0.852 -5.178 -22.983 1.00 53.15 C ATOM 0 H LEU A 106 -1.850 -6.796 -18.262 1.00 64.11 H new ATOM 0 HA LEU A 106 0.836 -7.135 -19.420 1.00 61.45 H new ATOM 0 HB2 LEU A 106 -0.354 -7.384 -21.390 1.00 13.52 H new ATOM 0 HB3 LEU A 106 -1.717 -6.441 -20.821 1.00 13.52 H new ATOM 0 HG LEU A 106 -0.342 -4.368 -21.079 1.00 2.15 H new ATOM 0 HD11 LEU A 106 1.714 -4.494 -22.431 1.00 15.51 H new ATOM 0 HD12 LEU A 106 1.879 -5.378 -20.894 1.00 15.51 H new ATOM 0 HD13 LEU A 106 1.613 -6.271 -22.410 1.00 15.51 H new ATOM 0 HD21 LEU A 106 -0.483 -4.315 -23.537 1.00 53.15 H new ATOM 0 HD22 LEU A 106 -0.670 -6.084 -23.560 1.00 53.15 H new ATOM 0 HD23 LEU A 106 -1.922 -5.067 -22.809 1.00 53.15 H new ATOM 1655 N GLU A 107 1.376 -4.741 -18.924 1.00 30.52 N ATOM 1656 CA GLU A 107 1.738 -3.427 -18.408 1.00 5.31 C ATOM 1657 C GLU A 107 2.678 -2.705 -19.370 1.00 13.22 C ATOM 1658 O GLU A 107 3.881 -2.963 -19.391 1.00 34.52 O ATOM 1659 CB GLU A 107 2.400 -3.558 -17.034 1.00 53.23 C ATOM 1660 CG GLU A 107 3.572 -4.524 -17.013 1.00 3.21 C ATOM 1661 CD GLU A 107 3.376 -5.658 -16.025 1.00 42.52 C ATOM 1662 OE1 GLU A 107 2.741 -6.666 -16.397 1.00 71.01 O ATOM 1663 OE2 GLU A 107 3.859 -5.536 -14.880 1.00 0.42 O ATOM 0 H GLU A 107 2.148 -5.256 -19.348 1.00 30.52 H new ATOM 0 HA GLU A 107 0.825 -2.840 -18.309 1.00 5.31 H new ATOM 0 HB2 GLU A 107 2.744 -2.576 -16.711 1.00 53.23 H new ATOM 0 HB3 GLU A 107 1.654 -3.889 -16.311 1.00 53.23 H new ATOM 0 HG2 GLU A 107 3.715 -4.938 -18.011 1.00 3.21 H new ATOM 0 HG3 GLU A 107 4.482 -3.980 -16.760 1.00 3.21 H new ATOM 1670 N ALA A 108 2.119 -1.799 -20.165 1.00 55.32 N ATOM 1671 CA ALA A 108 2.905 -1.038 -21.128 1.00 61.34 C ATOM 1672 C ALA A 108 2.686 0.461 -20.954 1.00 65.21 C ATOM 1673 O ALA A 108 1.574 0.908 -20.672 1.00 60.43 O ATOM 1674 CB ALA A 108 2.556 -1.463 -22.547 1.00 44.02 C ATOM 0 H ALA A 108 1.124 -1.574 -20.161 1.00 55.32 H new ATOM 0 HA ALA A 108 3.959 -1.248 -20.946 1.00 61.34 H new ATOM 0 HB1 ALA A 108 3.150 -0.887 -23.256 1.00 44.02 H new ATOM 0 HB2 ALA A 108 2.771 -2.524 -22.672 1.00 44.02 H new ATOM 0 HB3 ALA A 108 1.497 -1.283 -22.731 1.00 44.02 H new ATOM 1680 N HIS A 109 3.755 1.234 -21.123 1.00 31.43 N ATOM 1681 CA HIS A 109 3.679 2.684 -20.984 1.00 22.43 C ATOM 1682 C HIS A 109 3.817 3.367 -22.341 1.00 13.33 C ATOM 1683 O HIS A 109 4.920 3.506 -22.867 1.00 24.04 O ATOM 1684 CB HIS A 109 4.769 3.184 -20.035 1.00 31.41 C ATOM 1685 CG HIS A 109 6.125 2.619 -20.329 1.00 54.11 C ATOM 1686 ND1 HIS A 109 7.075 3.290 -21.069 1.00 51.22 N ATOM 1687 CD2 HIS A 109 6.688 1.440 -19.977 1.00 21.14 C ATOM 1688 CE1 HIS A 109 8.164 2.548 -21.161 1.00 33.42 C ATOM 1689 NE2 HIS A 109 7.955 1.420 -20.506 1.00 21.22 N ATOM 0 H HIS A 109 4.683 0.881 -21.356 1.00 31.43 H new ATOM 0 HA HIS A 109 2.703 2.934 -20.568 1.00 22.43 H new ATOM 0 HB2 HIS A 109 4.818 4.271 -20.092 1.00 31.41 H new ATOM 0 HB3 HIS A 109 4.493 2.930 -19.012 1.00 31.41 H new ATOM 0 HD2 HIS A 109 6.227 0.660 -19.389 1.00 21.14 H new ATOM 0 HE1 HIS A 109 9.070 2.818 -21.683 1.00 33.42 H new ATOM 0 HE2 HIS A 109 8.626 0.658 -20.409 1.00 21.22 H new ATOM 1697 N GLU A 110 2.688 3.791 -22.901 1.00 44.54 N ATOM 1698 CA GLU A 110 2.684 4.459 -24.198 1.00 24.02 C ATOM 1699 C GLU A 110 1.388 5.237 -24.405 1.00 2.31 C ATOM 1700 O GLU A 110 0.307 4.768 -24.051 1.00 40.20 O ATOM 1701 CB GLU A 110 2.864 3.438 -25.323 1.00 21.42 C ATOM 1702 CG GLU A 110 2.221 2.092 -25.032 1.00 23.14 C ATOM 1703 CD GLU A 110 2.254 1.159 -26.227 1.00 21.15 C ATOM 1704 OE1 GLU A 110 2.007 1.631 -27.356 1.00 12.24 O ATOM 1705 OE2 GLU A 110 2.527 -0.044 -26.032 1.00 24.13 O ATOM 0 H GLU A 110 1.766 3.684 -22.478 1.00 44.54 H new ATOM 0 HA GLU A 110 3.517 5.162 -24.219 1.00 24.02 H new ATOM 0 HB2 GLU A 110 2.439 3.843 -26.241 1.00 21.42 H new ATOM 0 HB3 GLU A 110 3.929 3.291 -25.502 1.00 21.42 H new ATOM 0 HG2 GLU A 110 2.735 1.621 -24.194 1.00 23.14 H new ATOM 0 HG3 GLU A 110 1.187 2.247 -24.725 1.00 23.14 H new ATOM 1712 N MET A 111 1.506 6.430 -24.980 1.00 64.52 N ATOM 1713 CA MET A 111 0.344 7.273 -25.235 1.00 45.12 C ATOM 1714 C MET A 111 -0.525 6.681 -26.340 1.00 11.31 C ATOM 1715 O MET A 111 -1.719 6.967 -26.424 1.00 3.12 O ATOM 1716 CB MET A 111 0.788 8.686 -25.621 1.00 32.33 C ATOM 1717 CG MET A 111 -0.348 9.564 -26.121 1.00 22.23 C ATOM 1718 SD MET A 111 -1.644 9.792 -24.888 1.00 61.12 S ATOM 1719 CE MET A 111 -2.351 11.347 -25.425 1.00 15.31 C ATOM 0 H MET A 111 2.394 6.834 -25.278 1.00 64.52 H new ATOM 0 HA MET A 111 -0.246 7.322 -24.320 1.00 45.12 H new ATOM 0 HB2 MET A 111 1.251 9.162 -24.756 1.00 32.33 H new ATOM 0 HB3 MET A 111 1.553 8.619 -26.395 1.00 32.33 H new ATOM 0 HG2 MET A 111 0.050 10.537 -26.409 1.00 22.23 H new ATOM 0 HG3 MET A 111 -0.779 9.118 -27.017 1.00 22.23 H new ATOM 0 HE1 MET A 111 -3.169 11.624 -24.760 1.00 15.31 H new ATOM 0 HE2 MET A 111 -1.585 12.122 -25.401 1.00 15.31 H new ATOM 0 HE3 MET A 111 -2.730 11.243 -26.442 1.00 15.31 H new ATOM 1729 N GLY A 112 0.082 5.855 -27.186 1.00 70.24 N ATOM 1730 CA GLY A 112 -0.652 5.237 -28.275 1.00 34.43 C ATOM 1731 C GLY A 112 -1.548 4.109 -27.803 1.00 33.34 C ATOM 1732 O GLY A 112 -2.429 3.658 -28.535 1.00 51.25 O ATOM 0 H GLY A 112 1.069 5.603 -27.137 1.00 70.24 H new ATOM 0 HA2 GLY A 112 -1.257 5.992 -28.776 1.00 34.43 H new ATOM 0 HA3 GLY A 112 0.053 4.853 -29.012 1.00 34.43 H new ATOM 1736 N ASP A 113 -1.323 3.650 -26.576 1.00 41.14 N ATOM 1737 CA ASP A 113 -2.116 2.567 -26.007 1.00 74.03 C ATOM 1738 C ASP A 113 -3.532 3.038 -25.692 1.00 14.53 C ATOM 1739 O ASP A 113 -4.506 2.326 -25.941 1.00 24.55 O ATOM 1740 CB ASP A 113 -1.450 2.030 -24.740 1.00 30.42 C ATOM 1741 CG ASP A 113 -0.757 0.701 -24.969 1.00 34.42 C ATOM 1742 OD1 ASP A 113 -0.435 0.393 -26.135 1.00 42.42 O ATOM 1743 OD2 ASP A 113 -0.539 -0.033 -23.982 1.00 2.24 O ATOM 0 H ASP A 113 -0.598 4.012 -25.957 1.00 41.14 H new ATOM 0 HA ASP A 113 -2.174 1.766 -26.744 1.00 74.03 H new ATOM 0 HB2 ASP A 113 -0.723 2.758 -24.379 1.00 30.42 H new ATOM 0 HB3 ASP A 113 -2.201 1.915 -23.959 1.00 30.42 H new ATOM 1748 N LEU A 114 -3.641 4.243 -25.142 1.00 25.24 N ATOM 1749 CA LEU A 114 -4.938 4.810 -24.790 1.00 60.14 C ATOM 1750 C LEU A 114 -5.465 5.698 -25.912 1.00 55.54 C ATOM 1751 O LEU A 114 -6.446 6.421 -25.736 1.00 45.51 O ATOM 1752 CB LEU A 114 -4.831 5.615 -23.494 1.00 43.13 C ATOM 1753 CG LEU A 114 -3.978 6.882 -23.560 1.00 42.50 C ATOM 1754 CD1 LEU A 114 -4.857 8.108 -23.757 1.00 22.24 C ATOM 1755 CD2 LEU A 114 -3.136 7.024 -22.301 1.00 4.54 C ATOM 0 H LEU A 114 -2.846 4.846 -24.930 1.00 25.24 H new ATOM 0 HA LEU A 114 -5.638 3.988 -24.642 1.00 60.14 H new ATOM 0 HB2 LEU A 114 -5.836 5.894 -23.179 1.00 43.13 H new ATOM 0 HB3 LEU A 114 -4.423 4.966 -22.719 1.00 43.13 H new ATOM 0 HG LEU A 114 -3.307 6.801 -24.415 1.00 42.50 H new ATOM 0 HD11 LEU A 114 -4.232 9.000 -23.802 1.00 22.24 H new ATOM 0 HD12 LEU A 114 -5.416 8.009 -24.688 1.00 22.24 H new ATOM 0 HD13 LEU A 114 -5.554 8.194 -22.923 1.00 22.24 H new ATOM 0 HD21 LEU A 114 -2.535 7.931 -22.365 1.00 4.54 H new ATOM 0 HD22 LEU A 114 -3.790 7.083 -21.431 1.00 4.54 H new ATOM 0 HD23 LEU A 114 -2.479 6.160 -22.203 1.00 4.54 H new