USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 938 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 109 THR OG1 : rot -170:sc= 0 USER MOD Set 1.2: A 118 GLN : amide:sc= -1.11 K(o=-1.1,f=0.42) USER MOD Set 2.1: A 75 MET CE :methyl 180:sc= -4.39 (180deg=-3.02) USER MOD Set 2.2: A 110 ASN : amide:sc= -2.77 K(o=-7.2,f=-5.1!) USER MOD Set 3.1: A 16 HIS : no HE2:sc= -2.8 K(o=-3,f=-19!) USER MOD Set 3.2: A 60 SER OG : rot -156:sc= -0.182 USER MOD Set 3.3: A 90 THR OG1 : rot 114:sc= -2.19! USER MOD Set 3.4: A 92 SER OG : rot -155:sc= 1.25! USER MOD Set 3.5: A 105 THR OG1 : rot 150:sc= 0.882 USER MOD Set 4.1: A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 4.2: A 117 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 3 MET CE :methyl -154:sc= -0.924 (180deg=-0.748) USER MOD Set 5.2: A 5 ASN : amide:sc= -4! C(o=-5.9!,f=-1.9!) USER MOD Set 5.3: A 36 GLN : amide:sc= -0.996 K(o=-5.9,f=-1.9) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 CYS SG : rot 180:sc= 0.021 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -136:sc= -2.75! USER MOD Single : A 17 ASN : amide:sc= -4.41 K(o=-4.4,f=-17!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -0.834 X(o=-0.83,f=-0.93) USER MOD Single : A 29 CYS SG : rot 71:sc= -3.38 USER MOD Single : A 32 THR OG1 : rot 64:sc= 0.971 USER MOD Single : A 35 TYR OH : rot 30:sc=-0.00805 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ -107:sc= -0.14 (180deg=-0.942) USER MOD Single : A 44 ASN : amide:sc= -3.91! C(o=-3.9!,f=-6.1!) USER MOD Single : A 49 CYS SG : rot -54:sc= -2.42 USER MOD Single : A 50 HIS : no HD1:sc= -1.46 K(o=-1.5,f=-4.7!) USER MOD Single : A 54 GLN : amide:sc= -2.72! C(o=-2.7!,f=-3.8!) USER MOD Single : A 55 GLN : amide:sc= 0.185 X(o=0.19,f=-0.079) USER MOD Single : A 62 GLN : amide:sc= -1.09 K(o=-1.1,f=-0.25) USER MOD Single : A 63 GLN : amide:sc= -1.19 K(o=-1.2,f=-0.075) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -123:sc= -0.749 (180deg=-0.838) USER MOD Single : A 70 GLN : amide:sc= -1.38 K(o=-1.4,f=-6!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 55:sc= -3.84! USER MOD Single : A 81 LYS NZ :NH3+ -168:sc=-0.00423 (180deg=-0.135) USER MOD Single : A 82 ASN : amide:sc= -3.09! K(o=-3.1!,f=-0.21) USER MOD Single : A 83 GLN : amide:sc= -0.599 X(o=-0.6,f=-0.9) USER MOD Single : A 88 MET CE :methyl 142:sc= -8.76! (180deg=-11.6!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -2.32! K(o=-2.3!,f=-0.13) USER MOD Single : A 94 THR OG1 : rot 9:sc= 0.507 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 ASN : amide:sc= -3.19! C(o=-3.2!,f=-2.8!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 108 CYS SG : rot 40:sc= 1.12 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= -0.0666 X(o=-0.067,f=-0.31) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= -0.575 K(o=-0.58,f=-3.7!) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.436 -9.544 -9.620 1.00 0.00 N ATOM 2 CA GLY A 1 -18.118 -10.301 -8.378 1.00 0.00 C ATOM 3 C GLY A 1 -17.855 -9.391 -7.195 1.00 0.00 C ATOM 4 O GLY A 1 -17.175 -8.374 -7.326 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.608 -10.211 -10.399 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.287 -8.966 -9.466 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.636 -8.925 -9.864 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.946 -10.969 -8.141 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.243 -10.927 -8.552 1.00 0.00 H new ATOM 10 N ALA A 2 -18.396 -9.759 -6.036 1.00 0.00 N ATOM 11 CA ALA A 2 -18.216 -8.968 -4.825 1.00 0.00 C ATOM 12 C ALA A 2 -16.877 -9.278 -4.163 1.00 0.00 C ATOM 13 O ALA A 2 -16.409 -8.527 -3.309 1.00 0.00 O ATOM 14 CB ALA A 2 -19.359 -9.224 -3.854 1.00 0.00 C ATOM 0 H ALA A 2 -18.961 -10.599 -5.912 1.00 0.00 H new ATOM 0 HA ALA A 2 -18.219 -7.914 -5.103 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -19.212 -8.627 -2.954 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -20.303 -8.948 -4.323 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -19.381 -10.281 -3.589 1.00 0.00 H new ATOM 20 N MET A 3 -16.269 -10.391 -4.568 1.00 0.00 N ATOM 21 CA MET A 3 -14.981 -10.813 -4.025 1.00 0.00 C ATOM 22 C MET A 3 -15.052 -10.995 -2.510 1.00 0.00 C ATOM 23 O MET A 3 -15.373 -12.079 -2.024 1.00 0.00 O ATOM 24 CB MET A 3 -13.889 -9.802 -4.386 1.00 0.00 C ATOM 25 CG MET A 3 -13.567 -9.759 -5.871 1.00 0.00 C ATOM 26 SD MET A 3 -12.910 -11.322 -6.485 1.00 0.00 S ATOM 27 CE MET A 3 -11.421 -11.476 -5.501 1.00 0.00 C ATOM 0 H MET A 3 -16.651 -11.020 -5.275 1.00 0.00 H new ATOM 0 HA MET A 3 -14.731 -11.776 -4.471 1.00 0.00 H new ATOM 0 HB2 MET A 3 -14.203 -8.810 -4.062 1.00 0.00 H new ATOM 0 HB3 MET A 3 -12.982 -10.046 -3.833 1.00 0.00 H new ATOM 0 HG2 MET A 3 -14.469 -9.505 -6.427 1.00 0.00 H new ATOM 0 HG3 MET A 3 -12.843 -8.966 -6.059 1.00 0.00 H new ATOM 0 HE1 MET A 3 -10.693 -12.086 -6.036 1.00 0.00 H new ATOM 0 HE2 MET A 3 -11.002 -10.487 -5.318 1.00 0.00 H new ATOM 0 HE3 MET A 3 -11.661 -11.950 -4.549 1.00 0.00 H new ATOM 37 N ASP A 4 -14.755 -9.927 -1.773 1.00 0.00 N ATOM 38 CA ASP A 4 -14.781 -9.967 -0.313 1.00 0.00 C ATOM 39 C ASP A 4 -13.960 -11.142 0.214 1.00 0.00 C ATOM 40 O ASP A 4 -14.486 -12.030 0.886 1.00 0.00 O ATOM 41 CB ASP A 4 -16.224 -10.062 0.190 1.00 0.00 C ATOM 42 CG ASP A 4 -16.320 -9.938 1.698 1.00 0.00 C ATOM 43 OD1 ASP A 4 -16.235 -8.801 2.207 1.00 0.00 O ATOM 44 OD2 ASP A 4 -16.483 -10.979 2.370 1.00 0.00 O ATOM 0 H ASP A 4 -14.493 -9.022 -2.164 1.00 0.00 H new ATOM 0 HA ASP A 4 -14.337 -9.044 0.061 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -16.820 -9.277 -0.275 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -16.652 -11.015 -0.121 1.00 0.00 H new ATOM 49 N ASN A 5 -12.668 -11.142 -0.100 1.00 0.00 N ATOM 50 CA ASN A 5 -11.773 -12.206 0.343 1.00 0.00 C ATOM 51 C ASN A 5 -11.713 -12.261 1.866 1.00 0.00 C ATOM 52 O ASN A 5 -11.579 -13.335 2.454 1.00 0.00 O ATOM 53 CB ASN A 5 -10.369 -11.995 -0.227 1.00 0.00 C ATOM 54 CG ASN A 5 -10.354 -11.982 -1.744 1.00 0.00 C ATOM 55 OD1 ASN A 5 -10.219 -13.024 -2.384 1.00 0.00 O ATOM 56 ND2 ASN A 5 -10.491 -10.796 -2.327 1.00 0.00 N ATOM 0 H ASN A 5 -12.218 -10.418 -0.659 1.00 0.00 H new ATOM 0 HA ASN A 5 -12.165 -13.154 -0.025 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -9.967 -11.053 0.145 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -9.711 -12.786 0.133 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -10.487 -10.724 -3.344 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -10.600 -9.957 -1.757 1.00 0.00 H new ATOM 63 N VAL A 6 -11.817 -11.096 2.499 1.00 0.00 N ATOM 64 CA VAL A 6 -11.779 -11.007 3.954 1.00 0.00 C ATOM 65 C VAL A 6 -12.931 -10.150 4.476 1.00 0.00 C ATOM 66 O VAL A 6 -13.442 -9.287 3.761 1.00 0.00 O ATOM 67 CB VAL A 6 -10.439 -10.419 4.443 1.00 0.00 C ATOM 68 CG1 VAL A 6 -10.273 -8.986 3.962 1.00 0.00 C ATOM 69 CG2 VAL A 6 -10.339 -10.496 5.960 1.00 0.00 C ATOM 0 H VAL A 6 -11.928 -10.199 2.026 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.881 -12.020 4.344 1.00 0.00 H new ATOM 0 HB VAL A 6 -9.630 -11.014 4.019 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -9.322 -8.591 4.318 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -10.290 -8.964 2.872 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -11.088 -8.375 4.350 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -9.387 -10.076 6.284 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -11.156 -9.930 6.408 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -10.403 -11.537 6.276 1.00 0.00 H new ATOM 79 N CYS A 7 -13.338 -10.397 5.718 1.00 0.00 N ATOM 80 CA CYS A 7 -14.433 -9.648 6.330 1.00 0.00 C ATOM 81 C CYS A 7 -14.205 -8.144 6.206 1.00 0.00 C ATOM 82 O CYS A 7 -14.813 -7.482 5.363 1.00 0.00 O ATOM 83 CB CYS A 7 -14.582 -10.035 7.802 1.00 0.00 C ATOM 84 SG CYS A 7 -14.830 -11.805 8.077 1.00 0.00 S ATOM 0 H CYS A 7 -12.927 -11.110 6.321 1.00 0.00 H new ATOM 0 HA CYS A 7 -15.352 -9.900 5.800 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -13.691 -9.715 8.343 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -15.425 -9.490 8.226 1.00 0.00 H new ATOM 0 HG CYS A 7 -14.943 -12.034 9.352 1.00 0.00 H new ATOM 90 N GLN A 8 -13.329 -7.608 7.051 1.00 0.00 N ATOM 91 CA GLN A 8 -13.021 -6.182 7.030 1.00 0.00 C ATOM 92 C GLN A 8 -11.512 -5.953 7.071 1.00 0.00 C ATOM 93 O GLN A 8 -10.765 -6.794 7.572 1.00 0.00 O ATOM 94 CB GLN A 8 -13.691 -5.472 8.203 1.00 0.00 C ATOM 95 CG GLN A 8 -15.202 -5.634 8.226 1.00 0.00 C ATOM 96 CD GLN A 8 -15.842 -4.985 9.437 1.00 0.00 C ATOM 97 OE1 GLN A 8 -16.199 -3.808 9.409 1.00 0.00 O ATOM 98 NE2 GLN A 8 -15.995 -5.755 10.509 1.00 0.00 N ATOM 0 H GLN A 8 -12.821 -8.139 7.758 1.00 0.00 H new ATOM 0 HA GLN A 8 -13.409 -5.766 6.100 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -13.278 -5.858 9.135 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.448 -4.410 8.162 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -15.624 -5.198 7.320 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -15.450 -6.695 8.214 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -15.684 -6.726 10.488 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -16.423 -5.375 11.353 1.00 0.00 H new ATOM 107 N PRO A 9 -11.043 -4.807 6.540 1.00 0.00 N ATOM 108 CA PRO A 9 -9.621 -4.475 6.500 1.00 0.00 C ATOM 109 C PRO A 9 -9.115 -3.766 7.749 1.00 0.00 C ATOM 110 O PRO A 9 -9.746 -3.788 8.806 1.00 0.00 O ATOM 111 CB PRO A 9 -9.549 -3.521 5.324 1.00 0.00 C ATOM 112 CG PRO A 9 -10.822 -2.762 5.420 1.00 0.00 C ATOM 113 CD PRO A 9 -11.856 -3.745 5.918 1.00 0.00 C ATOM 0 HA PRO A 9 -9.007 -5.372 6.426 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -8.683 -2.863 5.392 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.470 -4.055 4.377 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.723 -1.919 6.104 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.107 -2.354 4.450 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -12.535 -3.285 6.636 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -12.468 -4.132 5.103 1.00 0.00 H new ATOM 121 N THR A 10 -7.960 -3.128 7.580 1.00 0.00 N ATOM 122 CA THR A 10 -7.278 -2.383 8.630 1.00 0.00 C ATOM 123 C THR A 10 -5.882 -2.036 8.135 1.00 0.00 C ATOM 124 O THR A 10 -5.386 -0.926 8.320 1.00 0.00 O ATOM 125 CB THR A 10 -7.170 -3.190 9.938 1.00 0.00 C ATOM 126 OG1 THR A 10 -6.322 -2.510 10.870 1.00 0.00 O ATOM 127 CG2 THR A 10 -6.628 -4.581 9.669 1.00 0.00 C ATOM 0 H THR A 10 -7.463 -3.115 6.689 1.00 0.00 H new ATOM 0 HA THR A 10 -7.856 -1.485 8.849 1.00 0.00 H new ATOM 0 HB THR A 10 -8.169 -3.283 10.364 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.262 -3.031 11.698 1.00 0.00 H new ATOM 0 HG21 THR A 10 -6.560 -5.133 10.607 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.296 -5.106 8.986 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.638 -4.505 9.220 1.00 0.00 H new ATOM 135 N GLU A 11 -5.269 -3.027 7.501 1.00 0.00 N ATOM 136 CA GLU A 11 -3.942 -2.909 6.917 1.00 0.00 C ATOM 137 C GLU A 11 -3.680 -4.123 6.051 1.00 0.00 C ATOM 138 O GLU A 11 -3.978 -5.251 6.445 1.00 0.00 O ATOM 139 CB GLU A 11 -2.865 -2.795 7.987 1.00 0.00 C ATOM 140 CG GLU A 11 -2.845 -3.964 8.949 1.00 0.00 C ATOM 141 CD GLU A 11 -1.727 -3.868 9.967 1.00 0.00 C ATOM 142 OE1 GLU A 11 -1.910 -3.173 10.989 1.00 0.00 O ATOM 143 OE2 GLU A 11 -0.666 -4.489 9.744 1.00 0.00 O ATOM 0 H GLU A 11 -5.687 -3.949 7.377 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.906 -1.999 6.318 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.891 -2.715 7.504 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.019 -1.874 8.549 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.801 -4.016 9.470 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.738 -4.891 8.385 1.00 0.00 H new ATOM 150 N PHE A 12 -3.130 -3.900 4.875 1.00 0.00 N ATOM 151 CA PHE A 12 -2.841 -5.004 3.978 1.00 0.00 C ATOM 152 C PHE A 12 -1.367 -5.013 3.624 1.00 0.00 C ATOM 153 O PHE A 12 -0.800 -3.999 3.215 1.00 0.00 O ATOM 154 CB PHE A 12 -3.734 -4.966 2.728 1.00 0.00 C ATOM 155 CG PHE A 12 -3.356 -3.951 1.685 1.00 0.00 C ATOM 156 CD1 PHE A 12 -2.428 -4.263 0.704 1.00 0.00 C ATOM 157 CD2 PHE A 12 -3.953 -2.700 1.663 1.00 0.00 C ATOM 158 CE1 PHE A 12 -2.104 -3.348 -0.278 1.00 0.00 C ATOM 159 CE2 PHE A 12 -3.627 -1.778 0.686 1.00 0.00 C ATOM 160 CZ PHE A 12 -2.702 -2.106 -0.287 1.00 0.00 C ATOM 0 H PHE A 12 -2.876 -2.978 4.520 1.00 0.00 H new ATOM 0 HA PHE A 12 -3.071 -5.937 4.492 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.724 -5.954 2.267 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.759 -4.771 3.043 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.953 -5.233 0.708 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.681 -2.443 2.418 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -1.382 -3.605 -1.039 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.094 -0.804 0.683 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.448 -1.390 -1.054 1.00 0.00 H new ATOM 170 N ILE A 13 -0.750 -6.168 3.805 1.00 0.00 N ATOM 171 CA ILE A 13 0.667 -6.320 3.543 1.00 0.00 C ATOM 172 C ILE A 13 0.956 -6.521 2.068 1.00 0.00 C ATOM 173 O ILE A 13 0.693 -7.585 1.514 1.00 0.00 O ATOM 174 CB ILE A 13 1.247 -7.512 4.319 1.00 0.00 C ATOM 175 CG1 ILE A 13 0.870 -7.426 5.797 1.00 0.00 C ATOM 176 CG2 ILE A 13 2.755 -7.553 4.149 1.00 0.00 C ATOM 177 CD1 ILE A 13 0.725 -8.778 6.457 1.00 0.00 C ATOM 0 H ILE A 13 -1.212 -7.016 4.134 1.00 0.00 H new ATOM 0 HA ILE A 13 1.139 -5.395 3.873 1.00 0.00 H new ATOM 0 HB ILE A 13 0.825 -8.434 3.918 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.630 -6.851 6.326 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.068 -6.880 5.894 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.161 -8.400 4.702 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.999 -7.659 3.092 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.189 -6.629 4.531 1.00 0.00 H new ATOM 0 HD11 ILE A 13 0.457 -8.644 7.505 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.055 -9.347 5.952 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.669 -9.319 6.390 1.00 0.00 H new ATOM 189 N SER A 14 1.499 -5.496 1.434 1.00 0.00 N ATOM 190 CA SER A 14 1.853 -5.585 0.030 1.00 0.00 C ATOM 191 C SER A 14 3.345 -5.388 -0.127 1.00 0.00 C ATOM 192 O SER A 14 3.910 -4.399 0.340 1.00 0.00 O ATOM 193 CB SER A 14 1.099 -4.536 -0.783 1.00 0.00 C ATOM 194 OG SER A 14 0.859 -4.992 -2.100 1.00 0.00 O ATOM 0 H SER A 14 1.703 -4.596 1.868 1.00 0.00 H new ATOM 0 HA SER A 14 1.575 -6.571 -0.342 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.152 -4.305 -0.296 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.675 -3.611 -0.814 1.00 0.00 H new ATOM 0 HG SER A 14 1.055 -4.273 -2.736 1.00 0.00 H new ATOM 200 N ARG A 15 3.975 -6.338 -0.789 1.00 0.00 N ATOM 201 CA ARG A 15 5.394 -6.277 -1.034 1.00 0.00 C ATOM 202 C ARG A 15 5.621 -5.664 -2.393 1.00 0.00 C ATOM 203 O ARG A 15 4.723 -5.671 -3.232 1.00 0.00 O ATOM 204 CB ARG A 15 6.013 -7.668 -0.951 1.00 0.00 C ATOM 205 CG ARG A 15 6.214 -8.148 0.475 1.00 0.00 C ATOM 206 CD ARG A 15 6.868 -9.518 0.521 1.00 0.00 C ATOM 207 NE ARG A 15 5.991 -10.562 0.001 1.00 0.00 N ATOM 208 CZ ARG A 15 5.546 -11.582 0.731 1.00 0.00 C ATOM 209 NH1 ARG A 15 5.883 -11.683 2.009 1.00 0.00 N ATOM 210 NH2 ARG A 15 4.763 -12.499 0.181 1.00 0.00 N ATOM 0 H ARG A 15 3.517 -7.167 -1.168 1.00 0.00 H new ATOM 0 HA ARG A 15 5.875 -5.661 -0.274 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.374 -8.375 -1.479 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.974 -7.662 -1.465 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.832 -7.432 1.016 1.00 0.00 H new ATOM 0 HG3 ARG A 15 5.251 -8.187 0.985 1.00 0.00 H new ATOM 0 HD2 ARG A 15 7.791 -9.498 -0.059 1.00 0.00 H new ATOM 0 HD3 ARG A 15 7.142 -9.754 1.549 1.00 0.00 H new ATOM 0 HE ARG A 15 5.703 -10.507 -0.976 1.00 0.00 H new ATOM 0 HH11 ARG A 15 6.485 -10.978 2.435 1.00 0.00 H new ATOM 0 HH12 ARG A 15 5.541 -12.466 2.566 1.00 0.00 H new ATOM 0 HH21 ARG A 15 4.501 -12.423 -0.802 1.00 0.00 H new ATOM 0 HH22 ARG A 15 4.422 -13.281 0.741 1.00 0.00 H new ATOM 224 N HIS A 16 6.805 -5.127 -2.615 1.00 0.00 N ATOM 225 CA HIS A 16 7.097 -4.491 -3.885 1.00 0.00 C ATOM 226 C HIS A 16 8.574 -4.158 -4.011 1.00 0.00 C ATOM 227 O HIS A 16 9.352 -4.360 -3.080 1.00 0.00 O ATOM 228 CB HIS A 16 6.282 -3.207 -3.988 1.00 0.00 C ATOM 229 CG HIS A 16 6.575 -2.253 -2.878 1.00 0.00 C ATOM 230 ND1 HIS A 16 7.832 -1.743 -2.653 1.00 0.00 N ATOM 231 CD2 HIS A 16 5.781 -1.739 -1.908 1.00 0.00 C ATOM 232 CE1 HIS A 16 7.806 -0.958 -1.599 1.00 0.00 C ATOM 233 NE2 HIS A 16 6.573 -0.935 -1.127 1.00 0.00 N ATOM 0 H HIS A 16 7.572 -5.118 -1.942 1.00 0.00 H new ATOM 0 HA HIS A 16 6.836 -5.180 -4.688 1.00 0.00 H new ATOM 0 HB2 HIS A 16 6.491 -2.724 -4.943 1.00 0.00 H new ATOM 0 HB3 HIS A 16 5.220 -3.453 -3.981 1.00 0.00 H new ATOM 0 HD1 HIS A 16 8.658 -1.943 -3.217 1.00 0.00 H new ATOM 0 HD2 HIS A 16 4.726 -1.926 -1.775 1.00 0.00 H new ATOM 0 HE1 HIS A 16 8.650 -0.423 -1.189 1.00 0.00 H new ATOM 242 N ASN A 17 8.950 -3.644 -5.173 1.00 0.00 N ATOM 243 CA ASN A 17 10.325 -3.242 -5.415 1.00 0.00 C ATOM 244 C ASN A 17 10.497 -1.791 -4.989 1.00 0.00 C ATOM 245 O ASN A 17 9.529 -1.148 -4.586 1.00 0.00 O ATOM 246 CB ASN A 17 10.690 -3.413 -6.891 1.00 0.00 C ATOM 247 CG ASN A 17 9.716 -2.712 -7.818 1.00 0.00 C ATOM 248 OD1 ASN A 17 9.017 -1.783 -7.417 1.00 0.00 O ATOM 249 ND2 ASN A 17 9.673 -3.152 -9.069 1.00 0.00 N ATOM 0 H ASN A 17 8.321 -3.496 -5.962 1.00 0.00 H new ATOM 0 HA ASN A 17 10.993 -3.877 -4.833 1.00 0.00 H new ATOM 0 HB2 ASN A 17 11.693 -3.022 -7.061 1.00 0.00 H new ATOM 0 HB3 ASN A 17 10.717 -4.475 -7.134 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.042 -2.716 -9.741 1.00 0.00 H new ATOM 0 HD22 ASN A 17 10.271 -3.926 -9.358 1.00 0.00 H new ATOM 256 N ILE A 18 11.709 -1.268 -5.072 1.00 0.00 N ATOM 257 CA ILE A 18 11.949 0.113 -4.673 1.00 0.00 C ATOM 258 C ILE A 18 10.969 1.060 -5.365 1.00 0.00 C ATOM 259 O ILE A 18 10.491 2.024 -4.764 1.00 0.00 O ATOM 260 CB ILE A 18 13.379 0.564 -4.994 1.00 0.00 C ATOM 261 CG1 ILE A 18 13.610 1.981 -4.467 1.00 0.00 C ATOM 262 CG2 ILE A 18 13.624 0.489 -6.492 1.00 0.00 C ATOM 263 CD1 ILE A 18 13.468 2.102 -2.967 1.00 0.00 C ATOM 0 H ILE A 18 12.533 -1.768 -5.407 1.00 0.00 H new ATOM 0 HA ILE A 18 11.803 0.152 -3.594 1.00 0.00 H new ATOM 0 HB ILE A 18 14.087 -0.102 -4.501 1.00 0.00 H new ATOM 0 HG12 ILE A 18 14.609 2.308 -4.756 1.00 0.00 H new ATOM 0 HG13 ILE A 18 12.902 2.657 -4.946 1.00 0.00 H new ATOM 0 HG21 ILE A 18 14.642 0.811 -6.711 1.00 0.00 H new ATOM 0 HG22 ILE A 18 13.487 -0.538 -6.832 1.00 0.00 H new ATOM 0 HG23 ILE A 18 12.919 1.140 -7.009 1.00 0.00 H new ATOM 0 HD11 ILE A 18 13.646 3.135 -2.667 1.00 0.00 H new ATOM 0 HD12 ILE A 18 12.461 1.806 -2.672 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.195 1.452 -2.479 1.00 0.00 H new ATOM 275 N GLU A 19 10.677 0.774 -6.631 1.00 0.00 N ATOM 276 CA GLU A 19 9.747 1.593 -7.410 1.00 0.00 C ATOM 277 C GLU A 19 8.396 1.630 -6.729 1.00 0.00 C ATOM 278 O GLU A 19 7.683 2.632 -6.768 1.00 0.00 O ATOM 279 CB GLU A 19 9.544 1.009 -8.811 1.00 0.00 C ATOM 280 CG GLU A 19 10.684 1.247 -9.779 1.00 0.00 C ATOM 281 CD GLU A 19 11.055 2.712 -9.904 1.00 0.00 C ATOM 282 OE1 GLU A 19 10.478 3.398 -10.774 1.00 0.00 O ATOM 283 OE2 GLU A 19 11.923 3.173 -9.132 1.00 0.00 O ATOM 0 H GLU A 19 11.070 -0.018 -7.141 1.00 0.00 H new ATOM 0 HA GLU A 19 10.173 2.594 -7.484 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.384 -0.065 -8.720 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.634 1.432 -9.235 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.557 0.683 -9.450 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.407 0.862 -10.761 1.00 0.00 H new ATOM 290 N GLY A 20 8.068 0.519 -6.096 1.00 0.00 N ATOM 291 CA GLY A 20 6.797 0.392 -5.426 1.00 0.00 C ATOM 292 C GLY A 20 5.936 -0.664 -6.084 1.00 0.00 C ATOM 293 O GLY A 20 4.875 -1.021 -5.571 1.00 0.00 O ATOM 0 H GLY A 20 8.666 -0.305 -6.034 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.959 0.133 -4.380 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.277 1.350 -5.441 1.00 0.00 H new ATOM 297 N ILE A 21 6.399 -1.162 -7.233 1.00 0.00 N ATOM 298 CA ILE A 21 5.685 -2.188 -7.963 1.00 0.00 C ATOM 299 C ILE A 21 5.425 -3.386 -7.075 1.00 0.00 C ATOM 300 O ILE A 21 6.351 -4.088 -6.671 1.00 0.00 O ATOM 301 CB ILE A 21 6.470 -2.653 -9.182 1.00 0.00 C ATOM 302 CG1 ILE A 21 7.036 -1.443 -9.942 1.00 0.00 C ATOM 303 CG2 ILE A 21 5.565 -3.514 -10.048 1.00 0.00 C ATOM 304 CD1 ILE A 21 6.013 -0.636 -10.708 1.00 0.00 C ATOM 0 H ILE A 21 7.270 -0.863 -7.672 1.00 0.00 H new ATOM 0 HA ILE A 21 4.742 -1.751 -8.290 1.00 0.00 H new ATOM 0 HB ILE A 21 7.324 -3.258 -8.879 1.00 0.00 H new ATOM 0 HG12 ILE A 21 7.536 -0.786 -9.230 1.00 0.00 H new ATOM 0 HG13 ILE A 21 7.796 -1.794 -10.640 1.00 0.00 H new ATOM 0 HG21 ILE A 21 6.116 -3.853 -10.925 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.227 -4.378 -9.475 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.702 -2.929 -10.366 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.507 0.195 -11.211 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.529 -1.272 -11.449 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.264 -0.249 -10.017 1.00 0.00 H new ATOM 316 N PHE A 22 4.160 -3.640 -6.824 1.00 0.00 N ATOM 317 CA PHE A 22 3.744 -4.714 -5.945 1.00 0.00 C ATOM 318 C PHE A 22 4.177 -6.095 -6.417 1.00 0.00 C ATOM 319 O PHE A 22 3.621 -6.647 -7.364 1.00 0.00 O ATOM 320 CB PHE A 22 2.235 -4.680 -5.805 1.00 0.00 C ATOM 321 CG PHE A 22 1.729 -3.570 -4.925 1.00 0.00 C ATOM 322 CD1 PHE A 22 2.398 -3.207 -3.764 1.00 0.00 C ATOM 323 CD2 PHE A 22 0.574 -2.893 -5.260 1.00 0.00 C ATOM 324 CE1 PHE A 22 1.912 -2.187 -2.963 1.00 0.00 C ATOM 325 CE2 PHE A 22 0.085 -1.883 -4.466 1.00 0.00 C ATOM 326 CZ PHE A 22 0.752 -1.528 -3.319 1.00 0.00 C ATOM 0 H PHE A 22 3.388 -3.107 -7.224 1.00 0.00 H new ATOM 0 HA PHE A 22 4.237 -4.547 -4.987 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.790 -4.577 -6.795 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.896 -5.634 -5.401 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.304 -3.724 -3.483 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.045 -3.162 -6.162 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.439 -1.908 -2.062 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.823 -1.369 -4.744 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.369 -0.733 -2.696 1.00 0.00 H new ATOM 336 N THR A 23 5.171 -6.648 -5.739 1.00 0.00 N ATOM 337 CA THR A 23 5.642 -7.986 -6.037 1.00 0.00 C ATOM 338 C THR A 23 4.777 -8.982 -5.269 1.00 0.00 C ATOM 339 O THR A 23 4.929 -10.198 -5.389 1.00 0.00 O ATOM 340 CB THR A 23 7.119 -8.155 -5.649 1.00 0.00 C ATOM 341 OG1 THR A 23 7.283 -7.986 -4.236 1.00 0.00 O ATOM 342 CG2 THR A 23 7.971 -7.137 -6.392 1.00 0.00 C ATOM 0 H THR A 23 5.667 -6.186 -4.976 1.00 0.00 H new ATOM 0 HA THR A 23 5.564 -8.165 -7.109 1.00 0.00 H new ATOM 0 HB THR A 23 7.440 -9.160 -5.924 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.228 -8.098 -4.001 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.017 -7.264 -6.111 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.863 -7.287 -7.466 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.645 -6.130 -6.132 1.00 0.00 H new ATOM 350 N PHE A 24 3.862 -8.417 -4.477 1.00 0.00 N ATOM 351 CA PHE A 24 2.918 -9.178 -3.666 1.00 0.00 C ATOM 352 C PHE A 24 1.921 -8.228 -3.011 1.00 0.00 C ATOM 353 O PHE A 24 2.248 -7.085 -2.711 1.00 0.00 O ATOM 354 CB PHE A 24 3.637 -9.993 -2.586 1.00 0.00 C ATOM 355 CG PHE A 24 2.710 -10.511 -1.511 1.00 0.00 C ATOM 356 CD1 PHE A 24 2.449 -9.758 -0.374 1.00 0.00 C ATOM 357 CD2 PHE A 24 2.087 -11.743 -1.647 1.00 0.00 C ATOM 358 CE1 PHE A 24 1.586 -10.221 0.600 1.00 0.00 C ATOM 359 CE2 PHE A 24 1.226 -12.211 -0.671 1.00 0.00 C ATOM 360 CZ PHE A 24 0.975 -11.448 0.454 1.00 0.00 C ATOM 0 H PHE A 24 3.758 -7.407 -4.382 1.00 0.00 H new ATOM 0 HA PHE A 24 2.393 -9.873 -4.322 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.145 -10.836 -3.055 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.406 -9.373 -2.125 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.927 -8.798 -0.250 1.00 0.00 H new ATOM 0 HD2 PHE A 24 2.276 -12.343 -2.525 1.00 0.00 H new ATOM 0 HE1 PHE A 24 1.390 -9.621 1.477 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.750 -13.173 -0.788 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.302 -11.812 1.216 1.00 0.00 H new ATOM 370 N VAL A 25 0.694 -8.695 -2.834 1.00 0.00 N ATOM 371 CA VAL A 25 -0.346 -7.911 -2.187 1.00 0.00 C ATOM 372 C VAL A 25 -1.240 -8.824 -1.373 1.00 0.00 C ATOM 373 O VAL A 25 -1.762 -9.819 -1.872 1.00 0.00 O ATOM 374 CB VAL A 25 -1.210 -7.119 -3.194 1.00 0.00 C ATOM 375 CG1 VAL A 25 -1.944 -5.989 -2.498 1.00 0.00 C ATOM 376 CG2 VAL A 25 -0.369 -6.579 -4.335 1.00 0.00 C ATOM 0 H VAL A 25 0.393 -9.623 -3.133 1.00 0.00 H new ATOM 0 HA VAL A 25 0.154 -7.187 -1.543 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.945 -7.806 -3.612 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.546 -5.444 -3.225 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.593 -6.399 -1.724 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.221 -5.311 -2.044 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.005 -6.027 -5.026 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.398 -5.914 -3.938 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.105 -7.407 -4.861 1.00 0.00 H new ATOM 386 N ASP A 26 -1.381 -8.492 -0.108 1.00 0.00 N ATOM 387 CA ASP A 26 -2.206 -9.264 0.800 1.00 0.00 C ATOM 388 C ASP A 26 -3.686 -9.067 0.456 1.00 0.00 C ATOM 389 O ASP A 26 -4.132 -7.948 0.217 1.00 0.00 O ATOM 390 CB ASP A 26 -1.872 -8.848 2.229 1.00 0.00 C ATOM 391 CG ASP A 26 -2.940 -9.234 3.230 1.00 0.00 C ATOM 392 OD1 ASP A 26 -3.281 -10.432 3.302 1.00 0.00 O ATOM 393 OD2 ASP A 26 -3.431 -8.339 3.948 1.00 0.00 O ATOM 0 H ASP A 26 -0.930 -7.683 0.320 1.00 0.00 H new ATOM 0 HA ASP A 26 -2.003 -10.330 0.702 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -0.927 -9.306 2.522 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.727 -7.768 2.261 1.00 0.00 H new ATOM 398 N HIS A 27 -4.432 -10.173 0.424 1.00 0.00 N ATOM 399 CA HIS A 27 -5.853 -10.168 0.048 1.00 0.00 C ATOM 400 C HIS A 27 -6.704 -9.145 0.805 1.00 0.00 C ATOM 401 O HIS A 27 -7.845 -8.898 0.421 1.00 0.00 O ATOM 402 CB HIS A 27 -6.445 -11.568 0.208 1.00 0.00 C ATOM 403 CG HIS A 27 -6.611 -12.002 1.630 1.00 0.00 C ATOM 404 ND1 HIS A 27 -7.832 -12.335 2.178 1.00 0.00 N ATOM 405 CD2 HIS A 27 -5.701 -12.167 2.619 1.00 0.00 C ATOM 406 CE1 HIS A 27 -7.665 -12.685 3.441 1.00 0.00 C ATOM 407 NE2 HIS A 27 -6.381 -12.592 3.733 1.00 0.00 N ATOM 0 H HIS A 27 -4.071 -11.098 0.657 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.882 -9.861 -0.997 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.416 -11.599 -0.286 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.803 -12.283 -0.306 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -4.637 -11.996 2.545 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -8.446 -12.995 4.119 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -5.962 -12.802 4.639 1.00 0.00 H new ATOM 416 N ARG A 28 -6.182 -8.559 1.874 1.00 0.00 N ATOM 417 CA ARG A 28 -6.947 -7.558 2.615 1.00 0.00 C ATOM 418 C ARG A 28 -7.125 -6.310 1.763 1.00 0.00 C ATOM 419 O ARG A 28 -8.068 -5.541 1.941 1.00 0.00 O ATOM 420 CB ARG A 28 -6.257 -7.195 3.931 1.00 0.00 C ATOM 421 CG ARG A 28 -6.559 -8.161 5.062 1.00 0.00 C ATOM 422 CD ARG A 28 -6.673 -7.436 6.393 1.00 0.00 C ATOM 423 NE ARG A 28 -6.975 -8.352 7.491 1.00 0.00 N ATOM 424 CZ ARG A 28 -6.178 -8.535 8.541 1.00 0.00 C ATOM 425 NH1 ARG A 28 -5.032 -7.874 8.633 1.00 0.00 N ATOM 426 NH2 ARG A 28 -6.525 -9.385 9.499 1.00 0.00 N ATOM 0 H ARG A 28 -5.251 -8.752 2.244 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.923 -7.982 2.850 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.179 -7.163 3.770 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.565 -6.193 4.229 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.489 -8.690 4.853 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.772 -8.912 5.121 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.739 -6.914 6.603 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.454 -6.678 6.328 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.846 -8.881 7.450 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.759 -7.222 7.897 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.424 -8.017 9.439 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.403 -9.899 9.431 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.913 -9.524 10.303 1.00 0.00 H new ATOM 440 N CYS A 29 -6.193 -6.132 0.838 1.00 0.00 N ATOM 441 CA CYS A 29 -6.172 -4.995 -0.063 1.00 0.00 C ATOM 442 C CYS A 29 -7.513 -4.741 -0.751 1.00 0.00 C ATOM 443 O CYS A 29 -7.807 -3.611 -1.116 1.00 0.00 O ATOM 444 CB CYS A 29 -5.094 -5.222 -1.111 1.00 0.00 C ATOM 445 SG CYS A 29 -5.413 -6.628 -2.193 1.00 0.00 S ATOM 0 H CYS A 29 -5.421 -6.783 0.692 1.00 0.00 H new ATOM 0 HA CYS A 29 -5.961 -4.109 0.536 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -4.997 -4.323 -1.719 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -4.138 -5.372 -0.609 1.00 0.00 H new ATOM 0 HG CYS A 29 -6.404 -6.349 -2.987 1.00 0.00 H new ATOM 451 N VAL A 30 -8.321 -5.772 -0.959 1.00 0.00 N ATOM 452 CA VAL A 30 -9.608 -5.567 -1.617 1.00 0.00 C ATOM 453 C VAL A 30 -10.615 -4.955 -0.643 1.00 0.00 C ATOM 454 O VAL A 30 -11.497 -4.201 -1.038 1.00 0.00 O ATOM 455 CB VAL A 30 -10.171 -6.869 -2.236 1.00 0.00 C ATOM 456 CG1 VAL A 30 -9.154 -7.994 -2.158 1.00 0.00 C ATOM 457 CG2 VAL A 30 -11.471 -7.272 -1.570 1.00 0.00 C ATOM 0 H VAL A 30 -8.118 -6.735 -0.691 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.440 -4.872 -2.439 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.378 -6.673 -3.288 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.576 -8.897 -2.600 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.254 -7.709 -2.703 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.901 -8.184 -1.115 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -11.844 -8.190 -2.025 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.299 -7.438 -0.507 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -12.207 -6.478 -1.699 1.00 0.00 H new ATOM 467 N ALA A 31 -10.500 -5.306 0.628 1.00 0.00 N ATOM 468 CA ALA A 31 -11.382 -4.753 1.643 1.00 0.00 C ATOM 469 C ALA A 31 -10.890 -3.372 2.047 1.00 0.00 C ATOM 470 O ALA A 31 -11.659 -2.516 2.482 1.00 0.00 O ATOM 471 CB ALA A 31 -11.435 -5.667 2.851 1.00 0.00 C ATOM 0 H ALA A 31 -9.808 -5.968 0.980 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.388 -4.668 1.233 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.099 -5.239 3.602 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -11.809 -6.646 2.551 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.435 -5.774 3.270 1.00 0.00 H new ATOM 477 N THR A 32 -9.591 -3.174 1.866 1.00 0.00 N ATOM 478 CA THR A 32 -8.920 -1.929 2.221 1.00 0.00 C ATOM 479 C THR A 32 -9.016 -0.873 1.126 1.00 0.00 C ATOM 480 O THR A 32 -9.543 0.217 1.345 1.00 0.00 O ATOM 481 CB THR A 32 -7.435 -2.216 2.471 1.00 0.00 C ATOM 482 OG1 THR A 32 -7.285 -3.338 3.347 1.00 0.00 O ATOM 483 CG2 THR A 32 -6.739 -1.014 3.064 1.00 0.00 C ATOM 0 H THR A 32 -8.969 -3.877 1.466 1.00 0.00 H new ATOM 0 HA THR A 32 -9.416 -1.541 3.111 1.00 0.00 H new ATOM 0 HB THR A 32 -6.975 -2.444 1.510 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.647 -4.140 2.916 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.687 -1.248 3.230 1.00 0.00 H new ATOM 0 HG22 THR A 32 -6.819 -0.171 2.377 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.207 -0.754 4.013 1.00 0.00 H new ATOM 491 N VAL A 33 -8.505 -1.205 -0.052 1.00 0.00 N ATOM 492 CA VAL A 33 -8.508 -0.285 -1.176 1.00 0.00 C ATOM 493 C VAL A 33 -9.369 -0.794 -2.321 1.00 0.00 C ATOM 494 O VAL A 33 -9.321 -0.263 -3.425 1.00 0.00 O ATOM 495 CB VAL A 33 -7.075 -0.027 -1.672 1.00 0.00 C ATOM 496 CG1 VAL A 33 -6.267 0.637 -0.573 1.00 0.00 C ATOM 497 CG2 VAL A 33 -6.418 -1.321 -2.102 1.00 0.00 C ATOM 0 H VAL A 33 -8.081 -2.111 -0.252 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.938 0.652 -0.823 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.115 0.636 -2.536 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.252 0.819 -0.927 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.732 1.585 -0.302 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.236 -0.015 0.300 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.405 -1.117 -2.449 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.380 -2.008 -1.257 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.995 -1.771 -2.910 1.00 0.00 H new ATOM 507 N GLY A 34 -10.140 -1.841 -2.056 1.00 0.00 N ATOM 508 CA GLY A 34 -11.026 -2.388 -3.080 1.00 0.00 C ATOM 509 C GLY A 34 -10.296 -3.201 -4.128 1.00 0.00 C ATOM 510 O GLY A 34 -10.841 -4.160 -4.674 1.00 0.00 O ATOM 0 H GLY A 34 -10.172 -2.323 -1.158 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.779 -3.015 -2.603 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.555 -1.570 -3.568 1.00 0.00 H new ATOM 514 N TYR A 35 -9.062 -2.816 -4.402 1.00 0.00 N ATOM 515 CA TYR A 35 -8.244 -3.488 -5.396 1.00 0.00 C ATOM 516 C TYR A 35 -7.787 -4.858 -4.926 1.00 0.00 C ATOM 517 O TYR A 35 -7.076 -4.970 -3.928 1.00 0.00 O ATOM 518 CB TYR A 35 -7.034 -2.628 -5.699 1.00 0.00 C ATOM 519 CG TYR A 35 -7.410 -1.304 -6.291 1.00 0.00 C ATOM 520 CD1 TYR A 35 -8.192 -1.237 -7.430 1.00 0.00 C ATOM 521 CD2 TYR A 35 -6.993 -0.126 -5.708 1.00 0.00 C ATOM 522 CE1 TYR A 35 -8.549 -0.033 -7.976 1.00 0.00 C ATOM 523 CE2 TYR A 35 -7.340 1.091 -6.247 1.00 0.00 C ATOM 524 CZ TYR A 35 -8.120 1.136 -7.385 1.00 0.00 C ATOM 525 OH TYR A 35 -8.470 2.351 -7.930 1.00 0.00 O ATOM 0 H TYR A 35 -8.600 -2.031 -3.943 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.849 -3.633 -6.291 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.468 -2.466 -4.782 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.378 -3.159 -6.389 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -8.527 -2.151 -7.897 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.385 -0.159 -4.816 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.163 0.000 -8.864 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.004 2.006 -5.782 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.338 2.271 -8.378 1.00 0.00 H new ATOM 535 N GLN A 36 -8.198 -5.900 -5.643 1.00 0.00 N ATOM 536 CA GLN A 36 -7.790 -7.250 -5.306 1.00 0.00 C ATOM 537 C GLN A 36 -6.267 -7.321 -5.353 1.00 0.00 C ATOM 538 O GLN A 36 -5.640 -6.488 -6.007 1.00 0.00 O ATOM 539 CB GLN A 36 -8.399 -8.251 -6.289 1.00 0.00 C ATOM 540 CG GLN A 36 -9.887 -8.045 -6.529 1.00 0.00 C ATOM 541 CD GLN A 36 -10.432 -8.933 -7.631 1.00 0.00 C ATOM 542 OE1 GLN A 36 -11.375 -8.565 -8.332 1.00 0.00 O ATOM 543 NE2 GLN A 36 -9.841 -10.113 -7.791 1.00 0.00 N ATOM 0 H GLN A 36 -8.810 -5.831 -6.456 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.142 -7.504 -4.306 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.873 -8.178 -7.241 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -8.237 -9.261 -5.912 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.431 -8.244 -5.605 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -10.068 -7.001 -6.786 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -9.062 -10.379 -7.188 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -10.166 -10.752 -8.516 1.00 0.00 H new ATOM 552 N PRO A 37 -5.636 -8.280 -4.658 1.00 0.00 N ATOM 553 CA PRO A 37 -4.187 -8.384 -4.665 1.00 0.00 C ATOM 554 C PRO A 37 -3.621 -8.316 -6.072 1.00 0.00 C ATOM 555 O PRO A 37 -2.569 -7.725 -6.293 1.00 0.00 O ATOM 556 CB PRO A 37 -3.894 -9.738 -4.040 1.00 0.00 C ATOM 557 CG PRO A 37 -5.141 -10.191 -3.368 1.00 0.00 C ATOM 558 CD PRO A 37 -6.271 -9.302 -3.817 1.00 0.00 C ATOM 0 HA PRO A 37 -3.727 -7.559 -4.121 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.585 -10.454 -4.801 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.076 -9.662 -3.323 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.352 -11.230 -3.621 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.028 -10.143 -2.285 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -7.019 -9.865 -4.376 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.782 -8.852 -2.966 1.00 0.00 H new ATOM 566 N GLN A 38 -4.324 -8.922 -7.023 1.00 0.00 N ATOM 567 CA GLN A 38 -3.890 -8.911 -8.413 1.00 0.00 C ATOM 568 C GLN A 38 -4.080 -7.523 -9.016 1.00 0.00 C ATOM 569 O GLN A 38 -3.320 -7.101 -9.887 1.00 0.00 O ATOM 570 CB GLN A 38 -4.658 -9.948 -9.220 1.00 0.00 C ATOM 571 CG GLN A 38 -6.153 -9.796 -9.082 1.00 0.00 C ATOM 572 CD GLN A 38 -6.916 -10.328 -10.274 1.00 0.00 C ATOM 573 OE1 GLN A 38 -7.273 -11.505 -10.323 1.00 0.00 O ATOM 574 NE2 GLN A 38 -7.175 -9.461 -11.241 1.00 0.00 N ATOM 0 H GLN A 38 -5.195 -9.426 -6.856 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.830 -9.164 -8.446 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.383 -9.862 -10.271 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.366 -10.946 -8.894 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -6.484 -10.318 -8.184 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.394 -8.742 -8.945 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -6.859 -8.495 -11.158 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -7.690 -9.760 -12.069 1.00 0.00 H new ATOM 583 N GLU A 39 -5.106 -6.820 -8.541 1.00 0.00 N ATOM 584 CA GLU A 39 -5.399 -5.472 -9.008 1.00 0.00 C ATOM 585 C GLU A 39 -4.326 -4.503 -8.539 1.00 0.00 C ATOM 586 O GLU A 39 -4.324 -3.331 -8.910 1.00 0.00 O ATOM 587 CB GLU A 39 -6.756 -5.021 -8.502 1.00 0.00 C ATOM 588 CG GLU A 39 -7.709 -4.624 -9.616 1.00 0.00 C ATOM 589 CD GLU A 39 -7.019 -4.305 -10.931 1.00 0.00 C ATOM 590 OE1 GLU A 39 -6.521 -3.169 -11.080 1.00 0.00 O ATOM 591 OE2 GLU A 39 -6.976 -5.192 -11.810 1.00 0.00 O ATOM 0 H GLU A 39 -5.750 -7.166 -7.829 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.413 -5.482 -10.098 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.204 -5.825 -7.919 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.622 -4.175 -7.828 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.421 -5.433 -9.777 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.283 -3.754 -9.297 1.00 0.00 H new ATOM 598 N LEU A 40 -3.418 -5.006 -7.708 1.00 0.00 N ATOM 599 CA LEU A 40 -2.329 -4.205 -7.177 1.00 0.00 C ATOM 600 C LEU A 40 -0.992 -4.759 -7.655 1.00 0.00 C ATOM 601 O LEU A 40 -0.066 -4.014 -7.963 1.00 0.00 O ATOM 602 CB LEU A 40 -2.376 -4.221 -5.650 1.00 0.00 C ATOM 603 CG LEU A 40 -3.084 -3.053 -4.953 1.00 0.00 C ATOM 604 CD1 LEU A 40 -3.563 -1.989 -5.931 1.00 0.00 C ATOM 605 CD2 LEU A 40 -4.244 -3.590 -4.137 1.00 0.00 C ATOM 0 H LEU A 40 -3.419 -5.974 -7.388 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.436 -3.180 -7.532 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.863 -5.145 -5.338 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.351 -4.261 -5.282 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.361 -2.565 -4.299 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.057 -1.187 -5.383 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.710 -1.585 -6.476 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.266 -2.433 -6.636 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.752 -2.764 -3.639 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.945 -4.103 -4.795 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.870 -4.290 -3.390 1.00 0.00 H new ATOM 617 N LEU A 41 -0.918 -6.079 -7.725 1.00 0.00 N ATOM 618 CA LEU A 41 0.287 -6.774 -8.149 1.00 0.00 C ATOM 619 C LEU A 41 0.775 -6.272 -9.501 1.00 0.00 C ATOM 620 O LEU A 41 0.014 -6.201 -10.466 1.00 0.00 O ATOM 621 CB LEU A 41 0.017 -8.280 -8.204 1.00 0.00 C ATOM 622 CG LEU A 41 0.209 -9.017 -6.876 1.00 0.00 C ATOM 623 CD1 LEU A 41 -0.766 -10.179 -6.750 1.00 0.00 C ATOM 624 CD2 LEU A 41 1.646 -9.502 -6.746 1.00 0.00 C ATOM 0 H LEU A 41 -1.693 -6.699 -7.489 1.00 0.00 H new ATOM 0 HA LEU A 41 1.074 -6.572 -7.422 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.005 -8.439 -8.547 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.676 -8.726 -8.949 1.00 0.00 H new ATOM 0 HG LEU A 41 0.002 -8.320 -6.064 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.608 -10.685 -5.798 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.788 -9.803 -6.796 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.601 -10.882 -7.566 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.769 -10.024 -5.797 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.876 -10.181 -7.567 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.323 -8.648 -6.781 1.00 0.00 H new ATOM 636 N GLY A 42 2.056 -5.925 -9.553 1.00 0.00 N ATOM 637 CA GLY A 42 2.646 -5.428 -10.777 1.00 0.00 C ATOM 638 C GLY A 42 2.432 -3.942 -10.951 1.00 0.00 C ATOM 639 O GLY A 42 2.962 -3.334 -11.881 1.00 0.00 O ATOM 0 H GLY A 42 2.698 -5.980 -8.762 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.715 -5.642 -10.776 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.216 -5.957 -11.627 1.00 0.00 H new ATOM 643 N LYS A 43 1.651 -3.357 -10.051 1.00 0.00 N ATOM 644 CA LYS A 43 1.361 -1.935 -10.100 1.00 0.00 C ATOM 645 C LYS A 43 2.205 -1.171 -9.105 1.00 0.00 C ATOM 646 O LYS A 43 2.477 -1.647 -8.005 1.00 0.00 O ATOM 647 CB LYS A 43 -0.106 -1.670 -9.788 1.00 0.00 C ATOM 648 CG LYS A 43 -1.052 -2.573 -10.537 1.00 0.00 C ATOM 649 CD LYS A 43 -2.395 -1.910 -10.759 1.00 0.00 C ATOM 650 CE LYS A 43 -3.170 -2.571 -11.888 1.00 0.00 C ATOM 651 NZ LYS A 43 -3.240 -4.050 -11.725 1.00 0.00 N ATOM 0 H LYS A 43 1.207 -3.850 -9.277 1.00 0.00 H new ATOM 0 HA LYS A 43 1.592 -1.597 -11.110 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.270 -1.793 -8.717 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.339 -0.633 -10.029 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.615 -2.842 -11.499 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.190 -3.499 -9.979 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.980 -1.957 -9.840 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.246 -0.855 -10.989 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.180 -2.162 -11.923 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.697 -2.333 -12.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.615 -4.506 -12.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.936 -4.308 -10.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.218 -4.370 -11.877 1.00 0.00 H new ATOM 665 N ASN A 44 2.608 0.018 -9.500 1.00 0.00 N ATOM 666 CA ASN A 44 3.396 0.872 -8.634 1.00 0.00 C ATOM 667 C ASN A 44 2.503 1.407 -7.524 1.00 0.00 C ATOM 668 O ASN A 44 1.538 2.120 -7.778 1.00 0.00 O ATOM 669 CB ASN A 44 4.002 2.026 -9.435 1.00 0.00 C ATOM 670 CG ASN A 44 5.161 2.687 -8.728 1.00 0.00 C ATOM 671 OD1 ASN A 44 4.972 3.532 -7.857 1.00 0.00 O ATOM 672 ND2 ASN A 44 6.369 2.319 -9.121 1.00 0.00 N ATOM 0 H ASN A 44 2.403 0.416 -10.416 1.00 0.00 H new ATOM 0 HA ASN A 44 4.213 0.297 -8.198 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.338 1.653 -10.402 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.230 2.770 -9.631 1.00 0.00 H new ATOM 0 HD21 ASN A 44 7.194 2.742 -8.696 1.00 0.00 H new ATOM 0 HD22 ASN A 44 6.475 1.612 -9.849 1.00 0.00 H new ATOM 679 N ILE A 45 2.818 1.025 -6.297 1.00 0.00 N ATOM 680 CA ILE A 45 2.055 1.443 -5.136 1.00 0.00 C ATOM 681 C ILE A 45 1.802 2.949 -5.135 1.00 0.00 C ATOM 682 O ILE A 45 0.698 3.400 -4.830 1.00 0.00 O ATOM 683 CB ILE A 45 2.797 1.051 -3.851 1.00 0.00 C ATOM 684 CG1 ILE A 45 1.981 1.416 -2.619 1.00 0.00 C ATOM 685 CG2 ILE A 45 4.147 1.724 -3.817 1.00 0.00 C ATOM 686 CD1 ILE A 45 2.649 1.040 -1.312 1.00 0.00 C ATOM 0 H ILE A 45 3.608 0.418 -6.080 1.00 0.00 H new ATOM 0 HA ILE A 45 1.091 0.937 -5.179 1.00 0.00 H new ATOM 0 HB ILE A 45 2.940 -0.030 -3.845 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.792 2.489 -2.624 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.011 0.921 -2.677 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.671 1.443 -2.903 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.732 1.410 -4.682 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.015 2.806 -3.842 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.009 1.331 -0.479 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.814 -0.037 -1.284 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.606 1.555 -1.231 1.00 0.00 H new ATOM 698 N VAL A 46 2.823 3.723 -5.492 1.00 0.00 N ATOM 699 CA VAL A 46 2.699 5.175 -5.510 1.00 0.00 C ATOM 700 C VAL A 46 1.781 5.641 -6.637 1.00 0.00 C ATOM 701 O VAL A 46 1.179 6.709 -6.541 1.00 0.00 O ATOM 702 CB VAL A 46 4.066 5.899 -5.570 1.00 0.00 C ATOM 703 CG1 VAL A 46 5.195 4.951 -5.210 1.00 0.00 C ATOM 704 CG2 VAL A 46 4.298 6.558 -6.923 1.00 0.00 C ATOM 0 H VAL A 46 3.739 3.371 -5.771 1.00 0.00 H new ATOM 0 HA VAL A 46 2.243 5.453 -4.560 1.00 0.00 H new ATOM 0 HB VAL A 46 4.050 6.698 -4.828 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.146 5.482 -5.259 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.043 4.571 -4.200 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.208 4.118 -5.912 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.268 7.055 -6.924 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.278 5.799 -7.705 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.514 7.292 -7.109 1.00 0.00 H new ATOM 714 N GLU A 47 1.703 4.868 -7.723 1.00 0.00 N ATOM 715 CA GLU A 47 0.821 5.229 -8.830 1.00 0.00 C ATOM 716 C GLU A 47 -0.583 5.486 -8.300 1.00 0.00 C ATOM 717 O GLU A 47 -1.334 6.289 -8.856 1.00 0.00 O ATOM 718 CB GLU A 47 0.787 4.133 -9.896 1.00 0.00 C ATOM 719 CG GLU A 47 1.809 4.330 -11.003 1.00 0.00 C ATOM 720 CD GLU A 47 1.670 3.308 -12.114 1.00 0.00 C ATOM 721 OE1 GLU A 47 2.245 2.206 -11.982 1.00 0.00 O ATOM 722 OE2 GLU A 47 0.988 3.608 -13.115 1.00 0.00 O ATOM 0 H GLU A 47 2.230 4.005 -7.857 1.00 0.00 H new ATOM 0 HA GLU A 47 1.209 6.135 -9.296 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.961 3.168 -9.419 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.210 4.096 -10.335 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.699 5.331 -11.420 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.812 4.268 -10.581 1.00 0.00 H new ATOM 729 N PHE A 48 -0.926 4.794 -7.218 1.00 0.00 N ATOM 730 CA PHE A 48 -2.221 4.968 -6.576 1.00 0.00 C ATOM 731 C PHE A 48 -2.119 6.107 -5.585 1.00 0.00 C ATOM 732 O PHE A 48 -3.057 6.876 -5.390 1.00 0.00 O ATOM 733 CB PHE A 48 -2.643 3.698 -5.844 1.00 0.00 C ATOM 734 CG PHE A 48 -2.834 2.523 -6.745 1.00 0.00 C ATOM 735 CD1 PHE A 48 -1.755 1.743 -7.120 1.00 0.00 C ATOM 736 CD2 PHE A 48 -4.094 2.196 -7.212 1.00 0.00 C ATOM 737 CE1 PHE A 48 -1.936 0.648 -7.951 1.00 0.00 C ATOM 738 CE2 PHE A 48 -4.279 1.110 -8.039 1.00 0.00 C ATOM 739 CZ PHE A 48 -3.199 0.337 -8.406 1.00 0.00 C ATOM 0 H PHE A 48 -0.322 4.106 -6.768 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.969 5.187 -7.338 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.889 3.453 -5.096 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.573 3.889 -5.309 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -0.766 1.988 -6.763 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.943 2.799 -6.925 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.091 0.041 -8.240 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.268 0.865 -8.399 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.343 -0.516 -9.053 1.00 0.00 H new ATOM 749 N CYS A 49 -0.953 6.190 -4.961 1.00 0.00 N ATOM 750 CA CYS A 49 -0.671 7.236 -3.983 1.00 0.00 C ATOM 751 C CYS A 49 -0.857 8.617 -4.598 1.00 0.00 C ATOM 752 O CYS A 49 -0.599 8.812 -5.785 1.00 0.00 O ATOM 753 CB CYS A 49 0.763 7.106 -3.470 1.00 0.00 C ATOM 754 SG CYS A 49 1.323 8.511 -2.478 1.00 0.00 S ATOM 0 H CYS A 49 -0.181 5.542 -5.115 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.370 7.118 -3.155 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.843 6.198 -2.872 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.433 6.986 -4.322 1.00 0.00 H new ATOM 0 HG CYS A 49 1.151 9.611 -3.148 1.00 0.00 H new ATOM 760 N HIS A 50 -1.309 9.571 -3.791 1.00 0.00 N ATOM 761 CA HIS A 50 -1.492 10.934 -4.271 1.00 0.00 C ATOM 762 C HIS A 50 -0.149 11.468 -4.762 1.00 0.00 C ATOM 763 O HIS A 50 0.861 11.283 -4.089 1.00 0.00 O ATOM 764 CB HIS A 50 -2.050 11.828 -3.159 1.00 0.00 C ATOM 765 CG HIS A 50 -2.498 13.178 -3.630 1.00 0.00 C ATOM 766 ND1 HIS A 50 -1.632 14.129 -4.128 1.00 0.00 N ATOM 767 CD2 HIS A 50 -3.733 13.736 -3.675 1.00 0.00 C ATOM 768 CE1 HIS A 50 -2.314 15.212 -4.458 1.00 0.00 C ATOM 769 NE2 HIS A 50 -3.589 14.998 -4.194 1.00 0.00 N ATOM 0 H HIS A 50 -1.553 9.427 -2.811 1.00 0.00 H new ATOM 0 HA HIS A 50 -2.209 10.937 -5.092 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -2.892 11.321 -2.687 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -1.286 11.957 -2.393 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -4.657 13.274 -3.361 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -1.898 16.118 -4.873 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -4.346 15.664 -4.351 1.00 0.00 H new ATOM 778 N PRO A 51 -0.112 12.120 -5.937 1.00 0.00 N ATOM 779 CA PRO A 51 1.130 12.643 -6.515 1.00 0.00 C ATOM 780 C PRO A 51 2.022 13.369 -5.509 1.00 0.00 C ATOM 781 O PRO A 51 3.167 12.971 -5.288 1.00 0.00 O ATOM 782 CB PRO A 51 0.624 13.600 -7.586 1.00 0.00 C ATOM 783 CG PRO A 51 -0.649 12.986 -8.036 1.00 0.00 C ATOM 784 CD PRO A 51 -1.272 12.420 -6.795 1.00 0.00 C ATOM 0 HA PRO A 51 1.768 11.843 -6.889 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.466 14.601 -7.185 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.335 13.694 -8.407 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.300 13.726 -8.501 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.470 12.207 -8.777 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -1.947 13.134 -6.323 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -1.855 11.524 -7.010 1.00 0.00 H new ATOM 792 N GLU A 52 1.495 14.425 -4.902 1.00 0.00 N ATOM 793 CA GLU A 52 2.251 15.211 -3.932 1.00 0.00 C ATOM 794 C GLU A 52 2.760 14.348 -2.777 1.00 0.00 C ATOM 795 O GLU A 52 3.679 14.738 -2.059 1.00 0.00 O ATOM 796 CB GLU A 52 1.378 16.338 -3.385 1.00 0.00 C ATOM 797 CG GLU A 52 0.860 17.285 -4.454 1.00 0.00 C ATOM 798 CD GLU A 52 0.074 18.445 -3.875 1.00 0.00 C ATOM 799 OE1 GLU A 52 -1.109 18.247 -3.528 1.00 0.00 O ATOM 800 OE2 GLU A 52 0.644 19.552 -3.766 1.00 0.00 O ATOM 0 H GLU A 52 0.545 14.758 -5.064 1.00 0.00 H new ATOM 0 HA GLU A 52 3.117 15.628 -4.446 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.530 15.904 -2.855 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.952 16.908 -2.655 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.701 17.672 -5.029 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.227 16.732 -5.148 1.00 0.00 H new ATOM 807 N ASP A 53 2.158 13.177 -2.608 1.00 0.00 N ATOM 808 CA ASP A 53 2.537 12.269 -1.532 1.00 0.00 C ATOM 809 C ASP A 53 3.433 11.129 -2.019 1.00 0.00 C ATOM 810 O ASP A 53 4.097 10.480 -1.211 1.00 0.00 O ATOM 811 CB ASP A 53 1.286 11.693 -0.872 1.00 0.00 C ATOM 812 CG ASP A 53 0.424 12.763 -0.232 1.00 0.00 C ATOM 813 OD1 ASP A 53 -0.348 13.420 -0.961 1.00 0.00 O ATOM 814 OD2 ASP A 53 0.520 12.944 1.001 1.00 0.00 O ATOM 0 H ASP A 53 1.404 12.833 -3.203 1.00 0.00 H new ATOM 0 HA ASP A 53 3.109 12.849 -0.808 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.700 11.156 -1.618 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.580 10.966 -0.115 1.00 0.00 H new ATOM 819 N GLN A 54 3.456 10.874 -3.330 1.00 0.00 N ATOM 820 CA GLN A 54 4.278 9.799 -3.863 1.00 0.00 C ATOM 821 C GLN A 54 5.743 10.029 -3.535 1.00 0.00 C ATOM 822 O GLN A 54 6.492 9.084 -3.312 1.00 0.00 O ATOM 823 CB GLN A 54 4.107 9.670 -5.370 1.00 0.00 C ATOM 824 CG GLN A 54 2.670 9.700 -5.835 1.00 0.00 C ATOM 825 CD GLN A 54 2.547 9.607 -7.343 1.00 0.00 C ATOM 826 OE1 GLN A 54 3.429 10.052 -8.077 1.00 0.00 O ATOM 827 NE2 GLN A 54 1.450 9.028 -7.813 1.00 0.00 N ATOM 0 H GLN A 54 2.922 11.392 -4.028 1.00 0.00 H new ATOM 0 HA GLN A 54 3.948 8.872 -3.394 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.652 10.479 -5.857 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.564 8.736 -5.698 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.126 8.874 -5.377 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.199 10.621 -5.491 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.744 8.673 -7.168 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.312 8.938 -8.820 1.00 0.00 H new ATOM 836 N GLN A 55 6.148 11.291 -3.515 1.00 0.00 N ATOM 837 CA GLN A 55 7.527 11.637 -3.205 1.00 0.00 C ATOM 838 C GLN A 55 7.890 11.163 -1.804 1.00 0.00 C ATOM 839 O GLN A 55 9.032 10.797 -1.530 1.00 0.00 O ATOM 840 CB GLN A 55 7.738 13.146 -3.320 1.00 0.00 C ATOM 841 CG GLN A 55 9.167 13.586 -3.050 1.00 0.00 C ATOM 842 CD GLN A 55 10.146 13.046 -4.072 1.00 0.00 C ATOM 843 OE1 GLN A 55 10.404 13.677 -5.098 1.00 0.00 O ATOM 844 NE2 GLN A 55 10.699 11.872 -3.796 1.00 0.00 N ATOM 0 H GLN A 55 5.543 12.089 -3.709 1.00 0.00 H new ATOM 0 HA GLN A 55 8.177 11.138 -3.924 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.451 13.469 -4.321 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.073 13.651 -2.619 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.214 14.675 -3.048 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.464 13.252 -2.056 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.456 11.384 -2.934 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.367 11.458 -4.446 1.00 0.00 H new ATOM 853 N LEU A 56 6.897 11.172 -0.925 1.00 0.00 N ATOM 854 CA LEU A 56 7.069 10.750 0.449 1.00 0.00 C ATOM 855 C LEU A 56 7.041 9.235 0.540 1.00 0.00 C ATOM 856 O LEU A 56 7.787 8.630 1.309 1.00 0.00 O ATOM 857 CB LEU A 56 5.962 11.364 1.307 1.00 0.00 C ATOM 858 CG LEU A 56 5.693 10.669 2.638 1.00 0.00 C ATOM 859 CD1 LEU A 56 6.196 11.512 3.798 1.00 0.00 C ATOM 860 CD2 LEU A 56 4.206 10.382 2.777 1.00 0.00 C ATOM 0 H LEU A 56 5.949 11.474 -1.150 1.00 0.00 H new ATOM 0 HA LEU A 56 8.036 11.092 0.817 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.218 12.405 1.507 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.039 11.368 0.727 1.00 0.00 H new ATOM 0 HG LEU A 56 6.234 9.723 2.658 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.993 10.997 4.737 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.270 11.669 3.695 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.686 12.475 3.796 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.019 9.886 3.729 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.650 11.319 2.741 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.882 9.736 1.961 1.00 0.00 H new ATOM 872 N LEU A 57 6.168 8.630 -0.254 1.00 0.00 N ATOM 873 CA LEU A 57 6.041 7.184 -0.282 1.00 0.00 C ATOM 874 C LEU A 57 7.335 6.568 -0.786 1.00 0.00 C ATOM 875 O LEU A 57 7.952 5.741 -0.114 1.00 0.00 O ATOM 876 CB LEU A 57 4.877 6.780 -1.185 1.00 0.00 C ATOM 877 CG LEU A 57 4.490 5.305 -1.116 1.00 0.00 C ATOM 878 CD1 LEU A 57 4.220 4.900 0.321 1.00 0.00 C ATOM 879 CD2 LEU A 57 3.277 5.029 -1.994 1.00 0.00 C ATOM 0 H LEU A 57 5.537 9.121 -0.887 1.00 0.00 H new ATOM 0 HA LEU A 57 5.843 6.820 0.726 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.007 7.381 -0.922 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.134 7.025 -2.216 1.00 0.00 H new ATOM 0 HG LEU A 57 5.321 4.708 -1.491 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.945 3.846 0.356 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.117 5.061 0.919 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.404 5.501 0.721 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.016 3.973 -1.932 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.436 5.631 -1.652 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.510 5.285 -3.028 1.00 0.00 H new ATOM 891 N ARG A 58 7.726 6.981 -1.981 1.00 0.00 N ATOM 892 CA ARG A 58 8.958 6.515 -2.595 1.00 0.00 C ATOM 893 C ARG A 58 10.132 6.774 -1.663 1.00 0.00 C ATOM 894 O ARG A 58 11.034 5.948 -1.542 1.00 0.00 O ATOM 895 CB ARG A 58 9.187 7.229 -3.928 1.00 0.00 C ATOM 896 CG ARG A 58 8.062 7.027 -4.929 1.00 0.00 C ATOM 897 CD ARG A 58 8.206 7.956 -6.122 1.00 0.00 C ATOM 898 NE ARG A 58 9.519 7.840 -6.754 1.00 0.00 N ATOM 899 CZ ARG A 58 9.877 8.513 -7.843 1.00 0.00 C ATOM 900 NH1 ARG A 58 9.019 9.339 -8.429 1.00 0.00 N ATOM 901 NH2 ARG A 58 11.092 8.359 -8.349 1.00 0.00 N ATOM 0 H ARG A 58 7.201 7.645 -2.550 1.00 0.00 H new ATOM 0 HA ARG A 58 8.875 5.444 -2.778 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.309 8.296 -3.742 1.00 0.00 H new ATOM 0 HB3 ARG A 58 10.120 6.873 -4.366 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.059 5.992 -5.271 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.103 7.205 -4.442 1.00 0.00 H new ATOM 0 HD2 ARG A 58 7.431 7.729 -6.854 1.00 0.00 H new ATOM 0 HD3 ARG A 58 8.049 8.985 -5.800 1.00 0.00 H new ATOM 0 HE ARG A 58 10.200 7.206 -6.335 1.00 0.00 H new ATOM 0 HH11 ARG A 58 8.082 9.459 -8.044 1.00 0.00 H new ATOM 0 HH12 ARG A 58 9.297 9.854 -9.264 1.00 0.00 H new ATOM 0 HH21 ARG A 58 11.753 7.724 -7.903 1.00 0.00 H new ATOM 0 HH22 ARG A 58 11.366 8.876 -9.185 1.00 0.00 H new ATOM 915 N ASP A 59 10.104 7.931 -0.999 1.00 0.00 N ATOM 916 CA ASP A 59 11.161 8.300 -0.065 1.00 0.00 C ATOM 917 C ASP A 59 11.336 7.213 0.967 1.00 0.00 C ATOM 918 O ASP A 59 12.453 6.774 1.239 1.00 0.00 O ATOM 919 CB ASP A 59 10.837 9.624 0.619 1.00 0.00 C ATOM 920 CG ASP A 59 11.914 10.052 1.595 1.00 0.00 C ATOM 921 OD1 ASP A 59 12.854 10.757 1.170 1.00 0.00 O ATOM 922 OD2 ASP A 59 11.821 9.680 2.784 1.00 0.00 O ATOM 0 H ASP A 59 9.362 8.625 -1.092 1.00 0.00 H new ATOM 0 HA ASP A 59 12.091 8.419 -0.622 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.708 10.398 -0.138 1.00 0.00 H new ATOM 0 HB3 ASP A 59 9.888 9.534 1.147 1.00 0.00 H new ATOM 927 N SER A 60 10.226 6.785 1.538 1.00 0.00 N ATOM 928 CA SER A 60 10.255 5.722 2.523 1.00 0.00 C ATOM 929 C SER A 60 11.010 4.526 1.964 1.00 0.00 C ATOM 930 O SER A 60 12.007 4.094 2.533 1.00 0.00 O ATOM 931 CB SER A 60 8.835 5.322 2.924 1.00 0.00 C ATOM 932 OG SER A 60 8.752 3.935 3.201 1.00 0.00 O ATOM 0 H SER A 60 9.297 7.155 1.338 1.00 0.00 H new ATOM 0 HA SER A 60 10.769 6.080 3.415 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.529 5.890 3.803 1.00 0.00 H new ATOM 0 HB3 SER A 60 8.142 5.577 2.122 1.00 0.00 H new ATOM 0 HG SER A 60 7.829 3.631 3.077 1.00 0.00 H new ATOM 938 N PHE A 61 10.552 4.023 0.823 1.00 0.00 N ATOM 939 CA PHE A 61 11.182 2.875 0.184 1.00 0.00 C ATOM 940 C PHE A 61 12.669 3.110 -0.022 1.00 0.00 C ATOM 941 O PHE A 61 13.468 2.181 0.087 1.00 0.00 O ATOM 942 CB PHE A 61 10.522 2.583 -1.162 1.00 0.00 C ATOM 943 CG PHE A 61 9.024 2.468 -1.082 1.00 0.00 C ATOM 944 CD1 PHE A 61 8.416 1.901 0.029 1.00 0.00 C ATOM 945 CD2 PHE A 61 8.227 2.928 -2.116 1.00 0.00 C ATOM 946 CE1 PHE A 61 7.042 1.797 0.106 1.00 0.00 C ATOM 947 CE2 PHE A 61 6.851 2.824 -2.044 1.00 0.00 C ATOM 948 CZ PHE A 61 6.258 2.260 -0.931 1.00 0.00 C ATOM 0 H PHE A 61 9.745 4.394 0.321 1.00 0.00 H new ATOM 0 HA PHE A 61 11.052 2.017 0.844 1.00 0.00 H new ATOM 0 HB2 PHE A 61 10.781 3.375 -1.864 1.00 0.00 H new ATOM 0 HB3 PHE A 61 10.929 1.655 -1.564 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.025 1.537 0.843 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.685 3.372 -2.987 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.581 1.354 0.976 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.239 3.184 -2.858 1.00 0.00 H new ATOM 0 HZ PHE A 61 5.182 2.182 -0.873 1.00 0.00 H new ATOM 958 N GLN A 62 13.041 4.352 -0.314 1.00 0.00 N ATOM 959 CA GLN A 62 14.439 4.677 -0.540 1.00 0.00 C ATOM 960 C GLN A 62 15.216 4.565 0.756 1.00 0.00 C ATOM 961 O GLN A 62 16.397 4.231 0.758 1.00 0.00 O ATOM 962 CB GLN A 62 14.583 6.090 -1.112 1.00 0.00 C ATOM 963 CG GLN A 62 13.800 6.313 -2.396 1.00 0.00 C ATOM 964 CD GLN A 62 14.686 6.682 -3.571 1.00 0.00 C ATOM 965 OE1 GLN A 62 14.272 7.420 -4.465 1.00 0.00 O ATOM 966 NE2 GLN A 62 15.909 6.163 -3.582 1.00 0.00 N ATOM 0 H GLN A 62 12.399 5.140 -0.398 1.00 0.00 H new ATOM 0 HA GLN A 62 14.842 3.968 -1.263 1.00 0.00 H new ATOM 0 HB2 GLN A 62 14.251 6.810 -0.365 1.00 0.00 H new ATOM 0 HB3 GLN A 62 15.638 6.290 -1.301 1.00 0.00 H new ATOM 0 HG2 GLN A 62 13.243 5.408 -2.638 1.00 0.00 H new ATOM 0 HG3 GLN A 62 13.068 7.105 -2.236 1.00 0.00 H new ATOM 0 HE21 GLN A 62 16.212 5.556 -2.821 1.00 0.00 H new ATOM 0 HE22 GLN A 62 16.545 6.372 -4.352 1.00 0.00 H new ATOM 975 N GLN A 63 14.537 4.834 1.862 1.00 0.00 N ATOM 976 CA GLN A 63 15.155 4.778 3.170 1.00 0.00 C ATOM 977 C GLN A 63 15.244 3.346 3.706 1.00 0.00 C ATOM 978 O GLN A 63 16.258 2.959 4.281 1.00 0.00 O ATOM 979 CB GLN A 63 14.361 5.655 4.124 1.00 0.00 C ATOM 980 CG GLN A 63 14.369 7.126 3.734 1.00 0.00 C ATOM 981 CD GLN A 63 15.762 7.730 3.755 1.00 0.00 C ATOM 982 OE1 GLN A 63 16.065 8.645 2.989 1.00 0.00 O ATOM 983 NE2 GLN A 63 16.619 7.223 4.636 1.00 0.00 N ATOM 0 H GLN A 63 13.551 5.095 1.874 1.00 0.00 H new ATOM 0 HA GLN A 63 16.178 5.144 3.085 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.331 5.301 4.160 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.770 5.550 5.129 1.00 0.00 H new ATOM 0 HG2 GLN A 63 13.945 7.235 2.736 1.00 0.00 H new ATOM 0 HG3 GLN A 63 13.726 7.682 4.416 1.00 0.00 H new ATOM 0 HE21 GLN A 63 16.328 6.465 5.253 1.00 0.00 H new ATOM 0 HE22 GLN A 63 17.568 7.592 4.695 1.00 0.00 H new ATOM 992 N VAL A 64 14.180 2.565 3.518 1.00 0.00 N ATOM 993 CA VAL A 64 14.160 1.178 3.996 1.00 0.00 C ATOM 994 C VAL A 64 15.201 0.345 3.270 1.00 0.00 C ATOM 995 O VAL A 64 15.823 -0.548 3.847 1.00 0.00 O ATOM 996 CB VAL A 64 12.767 0.490 3.830 1.00 0.00 C ATOM 997 CG1 VAL A 64 11.671 1.497 3.541 1.00 0.00 C ATOM 998 CG2 VAL A 64 12.791 -0.578 2.741 1.00 0.00 C ATOM 0 H VAL A 64 13.328 2.863 3.043 1.00 0.00 H new ATOM 0 HA VAL A 64 14.385 1.229 5.061 1.00 0.00 H new ATOM 0 HB VAL A 64 12.547 0.008 4.782 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.719 0.977 3.433 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.604 2.209 4.364 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.901 2.030 2.618 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.804 -1.033 2.656 1.00 0.00 H new ATOM 0 HG22 VAL A 64 13.063 -0.121 1.789 1.00 0.00 H new ATOM 0 HG23 VAL A 64 13.523 -1.344 2.998 1.00 0.00 H new ATOM 1008 N VAL A 65 15.380 0.651 1.999 1.00 0.00 N ATOM 1009 CA VAL A 65 16.313 -0.065 1.160 1.00 0.00 C ATOM 1010 C VAL A 65 17.738 0.415 1.400 1.00 0.00 C ATOM 1011 O VAL A 65 18.694 -0.351 1.275 1.00 0.00 O ATOM 1012 CB VAL A 65 15.922 0.097 -0.315 1.00 0.00 C ATOM 1013 CG1 VAL A 65 16.225 1.505 -0.805 1.00 0.00 C ATOM 1014 CG2 VAL A 65 16.602 -0.948 -1.173 1.00 0.00 C ATOM 0 H VAL A 65 14.882 1.403 1.522 1.00 0.00 H new ATOM 0 HA VAL A 65 16.272 -1.123 1.417 1.00 0.00 H new ATOM 0 HB VAL A 65 14.846 -0.057 -0.401 1.00 0.00 H new ATOM 0 HG11 VAL A 65 15.939 1.595 -1.853 1.00 0.00 H new ATOM 0 HG12 VAL A 65 15.662 2.226 -0.212 1.00 0.00 H new ATOM 0 HG13 VAL A 65 17.292 1.705 -0.701 1.00 0.00 H new ATOM 0 HG21 VAL A 65 16.308 -0.811 -2.214 1.00 0.00 H new ATOM 0 HG22 VAL A 65 17.683 -0.844 -1.084 1.00 0.00 H new ATOM 0 HG23 VAL A 65 16.305 -1.942 -0.840 1.00 0.00 H new ATOM 1024 N LYS A 66 17.870 1.691 1.746 1.00 0.00 N ATOM 1025 CA LYS A 66 19.171 2.273 2.038 1.00 0.00 C ATOM 1026 C LYS A 66 19.706 1.712 3.343 1.00 0.00 C ATOM 1027 O LYS A 66 20.886 1.383 3.467 1.00 0.00 O ATOM 1028 CB LYS A 66 19.055 3.791 2.169 1.00 0.00 C ATOM 1029 CG LYS A 66 19.222 4.534 0.855 1.00 0.00 C ATOM 1030 CD LYS A 66 18.988 6.029 1.021 1.00 0.00 C ATOM 1031 CE LYS A 66 19.996 6.656 1.972 1.00 0.00 C ATOM 1032 NZ LYS A 66 19.797 8.126 2.104 1.00 0.00 N ATOM 0 H LYS A 66 17.089 2.342 1.831 1.00 0.00 H new ATOM 0 HA LYS A 66 19.849 2.027 1.221 1.00 0.00 H new ATOM 0 HB2 LYS A 66 18.081 4.036 2.593 1.00 0.00 H new ATOM 0 HB3 LYS A 66 19.808 4.144 2.874 1.00 0.00 H new ATOM 0 HG2 LYS A 66 20.226 4.364 0.465 1.00 0.00 H new ATOM 0 HG3 LYS A 66 18.523 4.135 0.120 1.00 0.00 H new ATOM 0 HD2 LYS A 66 19.053 6.517 0.049 1.00 0.00 H new ATOM 0 HD3 LYS A 66 17.979 6.200 1.397 1.00 0.00 H new ATOM 0 HE2 LYS A 66 19.909 6.189 2.953 1.00 0.00 H new ATOM 0 HE3 LYS A 66 21.006 6.457 1.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 20.504 8.514 2.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 19.905 8.576 1.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 18.843 8.316 2.471 1.00 0.00 H new ATOM 1046 N LEU A 67 18.809 1.613 4.310 1.00 0.00 N ATOM 1047 CA LEU A 67 19.140 1.116 5.632 1.00 0.00 C ATOM 1048 C LEU A 67 18.914 -0.388 5.715 1.00 0.00 C ATOM 1049 O LEU A 67 18.995 -0.988 6.787 1.00 0.00 O ATOM 1050 CB LEU A 67 18.290 1.861 6.649 1.00 0.00 C ATOM 1051 CG LEU A 67 18.333 3.384 6.498 1.00 0.00 C ATOM 1052 CD1 LEU A 67 17.424 4.055 7.516 1.00 0.00 C ATOM 1053 CD2 LEU A 67 19.760 3.887 6.638 1.00 0.00 C ATOM 0 H LEU A 67 17.830 1.876 4.199 1.00 0.00 H new ATOM 0 HA LEU A 67 20.195 1.291 5.844 1.00 0.00 H new ATOM 0 HB2 LEU A 67 17.257 1.526 6.559 1.00 0.00 H new ATOM 0 HB3 LEU A 67 18.625 1.596 7.652 1.00 0.00 H new ATOM 0 HG LEU A 67 17.970 3.641 5.503 1.00 0.00 H new ATOM 0 HD11 LEU A 67 17.471 5.137 7.389 1.00 0.00 H new ATOM 0 HD12 LEU A 67 16.399 3.717 7.367 1.00 0.00 H new ATOM 0 HD13 LEU A 67 17.750 3.793 8.523 1.00 0.00 H new ATOM 0 HD21 LEU A 67 19.776 4.971 6.528 1.00 0.00 H new ATOM 0 HD22 LEU A 67 20.147 3.616 7.620 1.00 0.00 H new ATOM 0 HD23 LEU A 67 20.382 3.435 5.866 1.00 0.00 H new ATOM 1065 N LYS A 68 18.643 -0.972 4.554 1.00 0.00 N ATOM 1066 CA LYS A 68 18.415 -2.409 4.407 1.00 0.00 C ATOM 1067 C LYS A 68 17.776 -3.041 5.642 1.00 0.00 C ATOM 1068 O LYS A 68 18.442 -3.731 6.415 1.00 0.00 O ATOM 1069 CB LYS A 68 19.733 -3.102 4.101 1.00 0.00 C ATOM 1070 CG LYS A 68 20.076 -3.152 2.625 1.00 0.00 C ATOM 1071 CD LYS A 68 19.321 -4.260 1.909 1.00 0.00 C ATOM 1072 CE LYS A 68 18.082 -3.731 1.206 1.00 0.00 C ATOM 1073 NZ LYS A 68 17.330 -4.813 0.513 1.00 0.00 N ATOM 0 H LYS A 68 18.574 -0.457 3.676 1.00 0.00 H new ATOM 0 HA LYS A 68 17.712 -2.540 3.584 1.00 0.00 H new ATOM 0 HB2 LYS A 68 20.534 -2.588 4.632 1.00 0.00 H new ATOM 0 HB3 LYS A 68 19.695 -4.120 4.489 1.00 0.00 H new ATOM 0 HG2 LYS A 68 19.839 -2.193 2.164 1.00 0.00 H new ATOM 0 HG3 LYS A 68 21.148 -3.307 2.506 1.00 0.00 H new ATOM 0 HD2 LYS A 68 19.977 -4.736 1.181 1.00 0.00 H new ATOM 0 HD3 LYS A 68 19.032 -5.027 2.628 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.431 -3.246 1.934 1.00 0.00 H new ATOM 0 HE3 LYS A 68 18.373 -2.970 0.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 17.236 -4.579 -0.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 17.843 -5.712 0.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 16.385 -4.905 0.937 1.00 0.00 H new ATOM 1087 N GLY A 69 16.488 -2.796 5.815 1.00 0.00 N ATOM 1088 CA GLY A 69 15.762 -3.366 6.937 1.00 0.00 C ATOM 1089 C GLY A 69 14.997 -2.333 7.733 1.00 0.00 C ATOM 1090 O GLY A 69 13.834 -2.547 8.076 1.00 0.00 O ATOM 0 H GLY A 69 15.927 -2.210 5.197 1.00 0.00 H new ATOM 0 HA2 GLY A 69 15.067 -4.120 6.567 1.00 0.00 H new ATOM 0 HA3 GLY A 69 16.465 -3.876 7.596 1.00 0.00 H new ATOM 1094 N GLN A 70 15.651 -1.217 8.039 1.00 0.00 N ATOM 1095 CA GLN A 70 15.017 -0.144 8.796 1.00 0.00 C ATOM 1096 C GLN A 70 13.650 0.175 8.206 1.00 0.00 C ATOM 1097 O GLN A 70 13.539 0.537 7.034 1.00 0.00 O ATOM 1098 CB GLN A 70 15.904 1.098 8.782 1.00 0.00 C ATOM 1099 CG GLN A 70 15.461 2.196 9.733 1.00 0.00 C ATOM 1100 CD GLN A 70 15.634 1.822 11.195 1.00 0.00 C ATOM 1101 OE1 GLN A 70 15.528 0.655 11.570 1.00 0.00 O ATOM 1102 NE2 GLN A 70 15.907 2.819 12.028 1.00 0.00 N ATOM 0 H GLN A 70 16.619 -1.032 7.775 1.00 0.00 H new ATOM 0 HA GLN A 70 14.884 -0.468 9.828 1.00 0.00 H new ATOM 0 HB2 GLN A 70 16.923 0.805 9.034 1.00 0.00 H new ATOM 0 HB3 GLN A 70 15.930 1.500 7.769 1.00 0.00 H new ATOM 0 HG2 GLN A 70 16.032 3.101 9.525 1.00 0.00 H new ATOM 0 HG3 GLN A 70 14.413 2.430 9.545 1.00 0.00 H new ATOM 0 HE21 GLN A 70 15.986 3.772 11.674 1.00 0.00 H new ATOM 0 HE22 GLN A 70 16.038 2.632 13.022 1.00 0.00 H new ATOM 1111 N VAL A 71 12.612 0.041 9.022 1.00 0.00 N ATOM 1112 CA VAL A 71 11.253 0.285 8.564 1.00 0.00 C ATOM 1113 C VAL A 71 10.901 1.771 8.544 1.00 0.00 C ATOM 1114 O VAL A 71 11.276 2.537 9.432 1.00 0.00 O ATOM 1115 CB VAL A 71 10.225 -0.489 9.412 1.00 0.00 C ATOM 1116 CG1 VAL A 71 10.092 0.114 10.801 1.00 0.00 C ATOM 1117 CG2 VAL A 71 8.880 -0.537 8.700 1.00 0.00 C ATOM 0 H VAL A 71 12.686 -0.235 10.001 1.00 0.00 H new ATOM 0 HA VAL A 71 11.209 -0.080 7.538 1.00 0.00 H new ATOM 0 HB VAL A 71 10.583 -1.511 9.535 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.360 -0.453 11.375 1.00 0.00 H new ATOM 0 HG12 VAL A 71 11.057 0.078 11.307 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.764 1.150 10.718 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.164 -1.087 9.311 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.516 0.478 8.540 1.00 0.00 H new ATOM 0 HG23 VAL A 71 8.995 -1.037 7.738 1.00 0.00 H new ATOM 1127 N LEU A 72 10.175 2.149 7.501 1.00 0.00 N ATOM 1128 CA LEU A 72 9.739 3.514 7.276 1.00 0.00 C ATOM 1129 C LEU A 72 8.237 3.647 7.492 1.00 0.00 C ATOM 1130 O LEU A 72 7.481 2.700 7.266 1.00 0.00 O ATOM 1131 CB LEU A 72 10.072 3.909 5.837 1.00 0.00 C ATOM 1132 CG LEU A 72 11.487 4.428 5.590 1.00 0.00 C ATOM 1133 CD1 LEU A 72 11.581 5.894 5.951 1.00 0.00 C ATOM 1134 CD2 LEU A 72 12.515 3.615 6.363 1.00 0.00 C ATOM 0 H LEU A 72 9.868 1.501 6.776 1.00 0.00 H new ATOM 0 HA LEU A 72 10.252 4.167 7.982 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.909 3.042 5.197 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.366 4.676 5.520 1.00 0.00 H new ATOM 0 HG LEU A 72 11.708 4.317 4.528 1.00 0.00 H new ATOM 0 HD11 LEU A 72 12.595 6.249 5.769 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.882 6.465 5.340 1.00 0.00 H new ATOM 0 HD13 LEU A 72 11.333 6.026 7.004 1.00 0.00 H new ATOM 0 HD21 LEU A 72 13.512 4.009 6.167 1.00 0.00 H new ATOM 0 HD22 LEU A 72 12.303 3.680 7.430 1.00 0.00 H new ATOM 0 HD23 LEU A 72 12.467 2.573 6.047 1.00 0.00 H new ATOM 1146 N SER A 73 7.812 4.828 7.918 1.00 0.00 N ATOM 1147 CA SER A 73 6.400 5.092 8.142 1.00 0.00 C ATOM 1148 C SER A 73 5.999 6.390 7.470 1.00 0.00 C ATOM 1149 O SER A 73 6.486 7.464 7.825 1.00 0.00 O ATOM 1150 CB SER A 73 6.087 5.165 9.632 1.00 0.00 C ATOM 1151 OG SER A 73 4.708 4.950 9.875 1.00 0.00 O ATOM 0 H SER A 73 8.426 5.618 8.115 1.00 0.00 H new ATOM 0 HA SER A 73 5.830 4.270 7.710 1.00 0.00 H new ATOM 0 HB2 SER A 73 6.674 4.419 10.167 1.00 0.00 H new ATOM 0 HB3 SER A 73 6.380 6.140 10.021 1.00 0.00 H new ATOM 0 HG SER A 73 4.534 5.000 10.838 1.00 0.00 H new ATOM 1157 N VAL A 74 5.110 6.284 6.497 1.00 0.00 N ATOM 1158 CA VAL A 74 4.650 7.464 5.763 1.00 0.00 C ATOM 1159 C VAL A 74 3.155 7.406 5.489 1.00 0.00 C ATOM 1160 O VAL A 74 2.623 6.358 5.126 1.00 0.00 O ATOM 1161 CB VAL A 74 5.389 7.627 4.414 1.00 0.00 C ATOM 1162 CG1 VAL A 74 6.884 7.789 4.625 1.00 0.00 C ATOM 1163 CG2 VAL A 74 5.097 6.451 3.500 1.00 0.00 C ATOM 0 H VAL A 74 4.692 5.404 6.194 1.00 0.00 H new ATOM 0 HA VAL A 74 4.871 8.320 6.401 1.00 0.00 H new ATOM 0 HB VAL A 74 5.020 8.534 3.935 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.378 7.902 3.660 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.072 8.673 5.234 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.277 6.909 5.133 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.626 6.584 2.556 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.430 5.529 3.976 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.025 6.395 3.311 1.00 0.00 H new ATOM 1173 N MET A 75 2.476 8.531 5.668 1.00 0.00 N ATOM 1174 CA MET A 75 1.047 8.584 5.403 1.00 0.00 C ATOM 1175 C MET A 75 0.792 9.180 4.038 1.00 0.00 C ATOM 1176 O MET A 75 1.292 10.257 3.712 1.00 0.00 O ATOM 1177 CB MET A 75 0.291 9.395 6.446 1.00 0.00 C ATOM 1178 CG MET A 75 0.208 8.723 7.798 1.00 0.00 C ATOM 1179 SD MET A 75 -1.104 9.404 8.825 1.00 0.00 S ATOM 1180 CE MET A 75 -2.538 8.914 7.871 1.00 0.00 C ATOM 0 H MET A 75 2.886 9.407 5.991 1.00 0.00 H new ATOM 0 HA MET A 75 0.682 7.558 5.444 1.00 0.00 H new ATOM 0 HB2 MET A 75 0.777 10.364 6.561 1.00 0.00 H new ATOM 0 HB3 MET A 75 -0.719 9.586 6.083 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.040 7.655 7.660 1.00 0.00 H new ATOM 0 HG3 MET A 75 1.162 8.831 8.314 1.00 0.00 H new ATOM 0 HE1 MET A 75 -3.443 9.260 8.371 1.00 0.00 H new ATOM 0 HE2 MET A 75 -2.481 9.356 6.876 1.00 0.00 H new ATOM 0 HE3 MET A 75 -2.564 7.828 7.785 1.00 0.00 H new ATOM 1190 N PHE A 76 0.011 8.476 3.247 1.00 0.00 N ATOM 1191 CA PHE A 76 -0.309 8.943 1.906 1.00 0.00 C ATOM 1192 C PHE A 76 -1.762 8.653 1.547 1.00 0.00 C ATOM 1193 O PHE A 76 -2.445 7.895 2.230 1.00 0.00 O ATOM 1194 CB PHE A 76 0.612 8.273 0.892 1.00 0.00 C ATOM 1195 CG PHE A 76 0.240 6.847 0.621 1.00 0.00 C ATOM 1196 CD1 PHE A 76 0.579 5.842 1.511 1.00 0.00 C ATOM 1197 CD2 PHE A 76 -0.464 6.514 -0.521 1.00 0.00 C ATOM 1198 CE1 PHE A 76 0.223 4.537 1.263 1.00 0.00 C ATOM 1199 CE2 PHE A 76 -0.818 5.207 -0.773 1.00 0.00 C ATOM 1200 CZ PHE A 76 -0.474 4.217 0.123 1.00 0.00 C ATOM 0 H PHE A 76 -0.414 7.584 3.502 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.162 10.023 1.882 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.585 8.834 -0.042 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.638 8.312 1.258 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.128 6.085 2.409 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.739 7.287 -1.223 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.492 3.762 1.966 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -1.364 4.958 -1.671 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.752 3.192 -0.071 1.00 0.00 H new ATOM 1210 N ARG A 77 -2.219 9.266 0.464 1.00 0.00 N ATOM 1211 CA ARG A 77 -3.583 9.075 -0.012 1.00 0.00 C ATOM 1212 C ARG A 77 -3.628 8.028 -1.123 1.00 0.00 C ATOM 1213 O ARG A 77 -3.182 8.276 -2.243 1.00 0.00 O ATOM 1214 CB ARG A 77 -4.155 10.405 -0.504 1.00 0.00 C ATOM 1215 CG ARG A 77 -4.540 11.344 0.627 1.00 0.00 C ATOM 1216 CD ARG A 77 -4.210 12.792 0.299 1.00 0.00 C ATOM 1217 NE ARG A 77 -5.013 13.310 -0.805 1.00 0.00 N ATOM 1218 CZ ARG A 77 -5.380 14.586 -0.912 1.00 0.00 C ATOM 1219 NH1 ARG A 77 -5.026 15.460 0.020 1.00 0.00 N ATOM 1220 NH2 ARG A 77 -6.099 14.989 -1.951 1.00 0.00 N ATOM 0 H ARG A 77 -1.662 9.904 -0.105 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.193 8.714 0.816 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.420 10.896 -1.141 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.032 10.210 -1.121 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.607 11.251 0.828 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.017 11.050 1.537 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -4.373 13.408 1.183 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.153 12.872 0.045 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.309 12.660 -1.533 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.472 15.156 0.820 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -5.308 16.437 -0.063 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.373 14.321 -2.672 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -6.378 15.967 -2.029 1.00 0.00 H new ATOM 1234 N PHE A 78 -4.167 6.854 -0.798 1.00 0.00 N ATOM 1235 CA PHE A 78 -4.270 5.756 -1.756 1.00 0.00 C ATOM 1236 C PHE A 78 -5.585 5.810 -2.521 1.00 0.00 C ATOM 1237 O PHE A 78 -6.637 5.492 -1.968 1.00 0.00 O ATOM 1238 CB PHE A 78 -4.187 4.403 -1.025 1.00 0.00 C ATOM 1239 CG PHE A 78 -3.907 3.229 -1.936 1.00 0.00 C ATOM 1240 CD1 PHE A 78 -4.886 2.733 -2.787 1.00 0.00 C ATOM 1241 CD2 PHE A 78 -2.662 2.624 -1.940 1.00 0.00 C ATOM 1242 CE1 PHE A 78 -4.619 1.657 -3.620 1.00 0.00 C ATOM 1243 CE2 PHE A 78 -2.392 1.552 -2.770 1.00 0.00 C ATOM 1244 CZ PHE A 78 -3.371 1.069 -3.610 1.00 0.00 C ATOM 0 H PHE A 78 -4.541 6.639 0.126 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.443 5.858 -2.458 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -3.404 4.458 -0.268 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -5.126 4.227 -0.500 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.865 3.190 -2.800 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -1.889 2.996 -1.284 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -5.388 1.279 -4.277 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.414 1.094 -2.760 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.162 0.232 -4.259 1.00 0.00 H new ATOM 1254 N ARG A 79 -5.540 6.210 -3.790 1.00 0.00 N ATOM 1255 CA ARG A 79 -6.750 6.233 -4.591 1.00 0.00 C ATOM 1256 C ARG A 79 -7.218 4.800 -4.747 1.00 0.00 C ATOM 1257 O ARG A 79 -6.665 4.040 -5.542 1.00 0.00 O ATOM 1258 CB ARG A 79 -6.506 6.874 -5.959 1.00 0.00 C ATOM 1259 CG ARG A 79 -7.748 6.928 -6.837 1.00 0.00 C ATOM 1260 CD ARG A 79 -7.961 5.620 -7.574 1.00 0.00 C ATOM 1261 NE ARG A 79 -8.815 5.780 -8.747 1.00 0.00 N ATOM 1262 CZ ARG A 79 -8.640 5.111 -9.883 1.00 0.00 C ATOM 1263 NH1 ARG A 79 -7.644 4.243 -9.999 1.00 0.00 N ATOM 1264 NH2 ARG A 79 -9.460 5.310 -10.905 1.00 0.00 N ATOM 0 H ARG A 79 -4.695 6.516 -4.273 1.00 0.00 H new ATOM 0 HA ARG A 79 -7.511 6.836 -4.096 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -6.129 7.887 -5.814 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -5.728 6.315 -6.479 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -8.621 7.147 -6.222 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -7.652 7.741 -7.556 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -6.996 5.217 -7.882 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -8.409 4.892 -6.897 1.00 0.00 H new ATOM 0 HE ARG A 79 -9.589 6.442 -8.692 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -7.010 4.087 -9.216 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -7.512 3.731 -10.872 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -10.227 5.977 -10.821 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -9.324 4.796 -11.775 1.00 0.00 H new ATOM 1278 N SER A 80 -8.220 4.427 -3.973 1.00 0.00 N ATOM 1279 CA SER A 80 -8.720 3.073 -3.990 1.00 0.00 C ATOM 1280 C SER A 80 -9.721 2.819 -5.108 1.00 0.00 C ATOM 1281 O SER A 80 -9.951 3.670 -5.964 1.00 0.00 O ATOM 1282 CB SER A 80 -9.330 2.753 -2.640 1.00 0.00 C ATOM 1283 OG SER A 80 -8.322 2.680 -1.650 1.00 0.00 O ATOM 0 H SER A 80 -8.702 5.048 -3.324 1.00 0.00 H new ATOM 0 HA SER A 80 -7.877 2.411 -4.188 1.00 0.00 H new ATOM 0 HB2 SER A 80 -10.058 3.519 -2.372 1.00 0.00 H new ATOM 0 HB3 SER A 80 -9.868 1.806 -2.692 1.00 0.00 H new ATOM 0 HG SER A 80 -7.802 3.510 -1.651 1.00 0.00 H new ATOM 1289 N LYS A 81 -10.292 1.619 -5.093 1.00 0.00 N ATOM 1290 CA LYS A 81 -11.260 1.205 -6.091 1.00 0.00 C ATOM 1291 C LYS A 81 -12.471 2.135 -6.094 1.00 0.00 C ATOM 1292 O LYS A 81 -13.212 2.202 -7.075 1.00 0.00 O ATOM 1293 CB LYS A 81 -11.686 -0.240 -5.825 1.00 0.00 C ATOM 1294 CG LYS A 81 -12.313 -0.890 -7.030 1.00 0.00 C ATOM 1295 CD LYS A 81 -11.509 -2.090 -7.481 1.00 0.00 C ATOM 1296 CE LYS A 81 -12.181 -2.791 -8.636 1.00 0.00 C ATOM 1297 NZ LYS A 81 -13.442 -3.468 -8.224 1.00 0.00 N ATOM 0 H LYS A 81 -10.094 0.910 -4.387 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.797 1.262 -7.076 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.817 -0.820 -5.515 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.394 -0.260 -4.997 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -13.331 -1.199 -6.792 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.381 -0.167 -7.843 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.509 -1.772 -7.777 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -11.389 -2.785 -6.650 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -12.399 -2.067 -9.422 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -11.497 -3.526 -9.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.762 -4.099 -8.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -13.272 -4.024 -7.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -14.174 -2.754 -8.036 1.00 0.00 H new ATOM 1311 N ASN A 82 -12.659 2.855 -4.991 1.00 0.00 N ATOM 1312 CA ASN A 82 -13.772 3.790 -4.866 1.00 0.00 C ATOM 1313 C ASN A 82 -13.397 5.149 -5.443 1.00 0.00 C ATOM 1314 O ASN A 82 -14.183 6.096 -5.393 1.00 0.00 O ATOM 1315 CB ASN A 82 -14.184 3.942 -3.399 1.00 0.00 C ATOM 1316 CG ASN A 82 -14.850 2.697 -2.844 1.00 0.00 C ATOM 1317 OD1 ASN A 82 -15.687 2.776 -1.945 1.00 0.00 O ATOM 1318 ND2 ASN A 82 -14.482 1.538 -3.379 1.00 0.00 N ATOM 0 H ASN A 82 -12.054 2.808 -4.171 1.00 0.00 H new ATOM 0 HA ASN A 82 -14.616 3.390 -5.429 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -13.303 4.175 -2.801 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -14.866 4.787 -3.303 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -14.897 0.668 -3.046 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -13.784 1.518 -4.123 1.00 0.00 H new ATOM 1325 N GLN A 83 -12.185 5.232 -5.987 1.00 0.00 N ATOM 1326 CA GLN A 83 -11.684 6.464 -6.583 1.00 0.00 C ATOM 1327 C GLN A 83 -11.619 7.568 -5.539 1.00 0.00 C ATOM 1328 O GLN A 83 -11.840 8.741 -5.838 1.00 0.00 O ATOM 1329 CB GLN A 83 -12.574 6.885 -7.751 1.00 0.00 C ATOM 1330 CG GLN A 83 -12.973 5.726 -8.648 1.00 0.00 C ATOM 1331 CD GLN A 83 -12.691 5.999 -10.112 1.00 0.00 C ATOM 1332 OE1 GLN A 83 -12.737 7.143 -10.564 1.00 0.00 O ATOM 1333 NE2 GLN A 83 -12.392 4.944 -10.860 1.00 0.00 N ATOM 0 H GLN A 83 -11.528 4.452 -6.026 1.00 0.00 H new ATOM 0 HA GLN A 83 -10.677 6.286 -6.960 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -13.474 7.360 -7.361 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -12.051 7.633 -8.346 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -12.435 4.830 -8.339 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -14.036 5.520 -8.519 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -12.366 4.014 -10.442 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -12.189 5.064 -11.852 1.00 0.00 H new ATOM 1342 N GLU A 84 -11.309 7.173 -4.310 1.00 0.00 N ATOM 1343 CA GLU A 84 -11.217 8.112 -3.201 1.00 0.00 C ATOM 1344 C GLU A 84 -9.831 8.068 -2.566 1.00 0.00 C ATOM 1345 O GLU A 84 -9.214 7.006 -2.474 1.00 0.00 O ATOM 1346 CB GLU A 84 -12.278 7.785 -2.159 1.00 0.00 C ATOM 1347 CG GLU A 84 -13.695 7.966 -2.672 1.00 0.00 C ATOM 1348 CD GLU A 84 -14.120 9.421 -2.711 1.00 0.00 C ATOM 1349 OE1 GLU A 84 -14.650 9.912 -1.693 1.00 0.00 O ATOM 1350 OE2 GLU A 84 -13.923 10.069 -3.761 1.00 0.00 O ATOM 0 H GLU A 84 -11.116 6.204 -4.057 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.385 9.118 -3.585 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.147 6.755 -1.827 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.130 8.422 -1.287 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.772 7.542 -3.673 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.382 7.408 -2.036 1.00 0.00 H new ATOM 1357 N TRP A 85 -9.347 9.225 -2.130 1.00 0.00 N ATOM 1358 CA TRP A 85 -8.036 9.314 -1.503 1.00 0.00 C ATOM 1359 C TRP A 85 -8.053 8.676 -0.116 1.00 0.00 C ATOM 1360 O TRP A 85 -8.299 9.345 0.888 1.00 0.00 O ATOM 1361 CB TRP A 85 -7.595 10.777 -1.414 1.00 0.00 C ATOM 1362 CG TRP A 85 -7.204 11.367 -2.732 1.00 0.00 C ATOM 1363 CD1 TRP A 85 -7.671 12.516 -3.294 1.00 0.00 C ATOM 1364 CD2 TRP A 85 -6.257 10.831 -3.647 1.00 0.00 C ATOM 1365 NE1 TRP A 85 -7.070 12.722 -4.515 1.00 0.00 N ATOM 1366 CE2 TRP A 85 -6.194 11.696 -4.753 1.00 0.00 C ATOM 1367 CE3 TRP A 85 -5.460 9.699 -3.628 1.00 0.00 C ATOM 1368 CZ2 TRP A 85 -5.355 11.453 -5.837 1.00 0.00 C ATOM 1369 CZ3 TRP A 85 -4.626 9.455 -4.700 1.00 0.00 C ATOM 1370 CH2 TRP A 85 -4.577 10.329 -5.793 1.00 0.00 C ATOM 0 H TRP A 85 -9.843 10.113 -2.200 1.00 0.00 H new ATOM 0 HA TRP A 85 -7.321 8.767 -2.118 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -8.407 11.367 -0.988 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -6.752 10.852 -0.727 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -8.405 13.170 -2.847 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -7.248 13.509 -5.140 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -5.490 9.019 -2.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -5.320 12.126 -6.681 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -4.000 8.575 -4.696 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -3.913 10.112 -6.616 1.00 0.00 H new ATOM 1381 N LEU A 86 -7.787 7.373 -0.076 1.00 0.00 N ATOM 1382 CA LEU A 86 -7.775 6.622 1.176 1.00 0.00 C ATOM 1383 C LEU A 86 -6.483 6.843 1.951 1.00 0.00 C ATOM 1384 O LEU A 86 -5.446 6.278 1.607 1.00 0.00 O ATOM 1385 CB LEU A 86 -7.941 5.123 0.892 1.00 0.00 C ATOM 1386 CG LEU A 86 -9.318 4.680 0.378 1.00 0.00 C ATOM 1387 CD1 LEU A 86 -9.586 3.244 0.790 1.00 0.00 C ATOM 1388 CD2 LEU A 86 -10.417 5.599 0.894 1.00 0.00 C ATOM 0 H LEU A 86 -7.576 6.813 -0.902 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.606 6.982 1.782 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.190 4.828 0.159 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.724 4.574 1.809 1.00 0.00 H new ATOM 0 HG LEU A 86 -9.316 4.742 -0.710 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -10.565 2.936 0.422 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.819 2.595 0.367 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.567 3.168 1.877 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -11.381 5.262 0.514 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.428 5.577 1.984 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -10.229 6.617 0.554 1.00 0.00 H new ATOM 1400 N TRP A 87 -6.541 7.647 3.011 1.00 0.00 N ATOM 1401 CA TRP A 87 -5.356 7.903 3.814 1.00 0.00 C ATOM 1402 C TRP A 87 -4.865 6.615 4.443 1.00 0.00 C ATOM 1403 O TRP A 87 -5.616 5.898 5.103 1.00 0.00 O ATOM 1404 CB TRP A 87 -5.624 8.941 4.894 1.00 0.00 C ATOM 1405 CG TRP A 87 -5.327 10.339 4.451 1.00 0.00 C ATOM 1406 CD1 TRP A 87 -6.233 11.278 4.058 1.00 0.00 C ATOM 1407 CD2 TRP A 87 -4.033 10.955 4.341 1.00 0.00 C ATOM 1408 NE1 TRP A 87 -5.590 12.440 3.711 1.00 0.00 N ATOM 1409 CE2 TRP A 87 -4.241 12.268 3.874 1.00 0.00 C ATOM 1410 CE3 TRP A 87 -2.717 10.530 4.590 1.00 0.00 C ATOM 1411 CZ2 TRP A 87 -3.192 13.155 3.649 1.00 0.00 C ATOM 1412 CZ3 TRP A 87 -1.681 11.416 4.364 1.00 0.00 C ATOM 1413 CH2 TRP A 87 -1.923 12.713 3.897 1.00 0.00 C ATOM 0 H TRP A 87 -7.385 8.125 3.327 1.00 0.00 H new ATOM 0 HA TRP A 87 -4.586 8.300 3.153 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -6.668 8.877 5.200 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -5.020 8.708 5.771 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -7.302 11.129 4.024 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -6.043 13.293 3.385 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -2.519 9.531 4.951 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -3.375 14.157 3.291 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -0.665 11.102 4.551 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -1.089 13.379 3.729 1.00 0.00 H new ATOM 1424 N MET A 88 -3.597 6.335 4.227 1.00 0.00 N ATOM 1425 CA MET A 88 -2.976 5.127 4.741 1.00 0.00 C ATOM 1426 C MET A 88 -1.605 5.410 5.309 1.00 0.00 C ATOM 1427 O MET A 88 -0.989 6.430 5.015 1.00 0.00 O ATOM 1428 CB MET A 88 -2.830 4.098 3.624 1.00 0.00 C ATOM 1429 CG MET A 88 -4.121 3.791 2.910 1.00 0.00 C ATOM 1430 SD MET A 88 -4.958 2.339 3.551 1.00 0.00 S ATOM 1431 CE MET A 88 -6.319 2.256 2.399 1.00 0.00 C ATOM 0 H MET A 88 -2.968 6.934 3.693 1.00 0.00 H new ATOM 0 HA MET A 88 -3.618 4.742 5.533 1.00 0.00 H new ATOM 0 HB2 MET A 88 -2.102 4.463 2.899 1.00 0.00 H new ATOM 0 HB3 MET A 88 -2.428 3.175 4.043 1.00 0.00 H new ATOM 0 HG2 MET A 88 -4.786 4.651 2.991 1.00 0.00 H new ATOM 0 HG3 MET A 88 -3.916 3.645 1.849 1.00 0.00 H new ATOM 0 HE1 MET A 88 -6.532 1.214 2.162 1.00 0.00 H new ATOM 0 HE2 MET A 88 -7.202 2.714 2.845 1.00 0.00 H new ATOM 0 HE3 MET A 88 -6.056 2.789 1.486 1.00 0.00 H new ATOM 1441 N ARG A 89 -1.146 4.486 6.126 1.00 0.00 N ATOM 1442 CA ARG A 89 0.168 4.570 6.726 1.00 0.00 C ATOM 1443 C ARG A 89 0.985 3.374 6.264 1.00 0.00 C ATOM 1444 O ARG A 89 0.581 2.230 6.467 1.00 0.00 O ATOM 1445 CB ARG A 89 0.059 4.566 8.246 1.00 0.00 C ATOM 1446 CG ARG A 89 -0.946 5.564 8.781 1.00 0.00 C ATOM 1447 CD ARG A 89 -0.424 6.240 10.031 1.00 0.00 C ATOM 1448 NE ARG A 89 -0.341 5.319 11.162 1.00 0.00 N ATOM 1449 CZ ARG A 89 -0.604 5.668 12.419 1.00 0.00 C ATOM 1450 NH1 ARG A 89 -0.973 6.910 12.703 1.00 0.00 N ATOM 1451 NH2 ARG A 89 -0.501 4.773 13.391 1.00 0.00 N ATOM 0 H ARG A 89 -1.674 3.655 6.393 1.00 0.00 H new ATOM 0 HA ARG A 89 0.652 5.498 6.421 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.220 3.567 8.580 1.00 0.00 H new ATOM 0 HB3 ARG A 89 1.038 4.783 8.673 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -1.160 6.314 8.020 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -1.885 5.057 9.002 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.563 6.657 9.831 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.076 7.074 10.291 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.066 4.354 10.978 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -1.056 7.601 11.957 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.174 7.174 13.667 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.220 3.816 13.176 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -0.703 5.041 14.354 1.00 0.00 H new ATOM 1465 N THR A 90 2.129 3.625 5.652 1.00 0.00 N ATOM 1466 CA THR A 90 2.946 2.533 5.140 1.00 0.00 C ATOM 1467 C THR A 90 4.042 2.111 6.097 1.00 0.00 C ATOM 1468 O THR A 90 4.722 2.952 6.693 1.00 0.00 O ATOM 1469 CB THR A 90 3.625 2.890 3.814 1.00 0.00 C ATOM 1470 OG1 THR A 90 4.827 3.624 4.065 1.00 0.00 O ATOM 1471 CG2 THR A 90 2.704 3.706 2.942 1.00 0.00 C ATOM 0 H THR A 90 2.511 4.558 5.498 1.00 0.00 H new ATOM 0 HA THR A 90 2.241 1.713 5.003 1.00 0.00 H new ATOM 0 HB THR A 90 3.866 1.964 3.292 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.600 3.093 3.780 1.00 0.00 H new ATOM 0 HG21 THR A 90 3.208 3.947 2.006 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.801 3.133 2.731 1.00 0.00 H new ATOM 0 HG23 THR A 90 2.436 4.628 3.458 1.00 0.00 H new ATOM 1479 N SER A 91 4.202 0.796 6.211 1.00 0.00 N ATOM 1480 CA SER A 91 5.246 0.195 7.024 1.00 0.00 C ATOM 1481 C SER A 91 6.220 -0.490 6.076 1.00 0.00 C ATOM 1482 O SER A 91 6.286 -1.718 6.002 1.00 0.00 O ATOM 1483 CB SER A 91 4.647 -0.810 8.012 1.00 0.00 C ATOM 1484 OG SER A 91 4.478 -0.229 9.293 1.00 0.00 O ATOM 0 H SER A 91 3.606 0.117 5.738 1.00 0.00 H new ATOM 0 HA SER A 91 5.761 0.954 7.613 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.685 -1.161 7.639 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.297 -1.682 8.088 1.00 0.00 H new ATOM 0 HG SER A 91 4.093 -0.891 9.904 1.00 0.00 H new ATOM 1490 N SER A 92 6.963 0.331 5.338 1.00 0.00 N ATOM 1491 CA SER A 92 7.902 -0.154 4.332 1.00 0.00 C ATOM 1492 C SER A 92 9.243 -0.558 4.924 1.00 0.00 C ATOM 1493 O SER A 92 9.897 0.219 5.602 1.00 0.00 O ATOM 1494 CB SER A 92 8.120 0.925 3.276 1.00 0.00 C ATOM 1495 OG SER A 92 6.973 1.746 3.143 1.00 0.00 O ATOM 0 H SER A 92 6.931 1.347 5.420 1.00 0.00 H new ATOM 0 HA SER A 92 7.462 -1.046 3.886 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.980 1.537 3.549 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.351 0.459 2.318 1.00 0.00 H new ATOM 0 HG SER A 92 6.955 2.140 2.246 1.00 0.00 H new ATOM 1501 N GLN A 93 9.651 -1.781 4.638 1.00 0.00 N ATOM 1502 CA GLN A 93 10.923 -2.299 5.114 1.00 0.00 C ATOM 1503 C GLN A 93 11.297 -3.536 4.320 1.00 0.00 C ATOM 1504 O GLN A 93 10.435 -4.342 3.987 1.00 0.00 O ATOM 1505 CB GLN A 93 10.854 -2.622 6.600 1.00 0.00 C ATOM 1506 CG GLN A 93 9.850 -3.702 6.950 1.00 0.00 C ATOM 1507 CD GLN A 93 9.900 -4.070 8.415 1.00 0.00 C ATOM 1508 OE1 GLN A 93 8.908 -4.507 8.999 1.00 0.00 O ATOM 1509 NE2 GLN A 93 11.066 -3.886 9.016 1.00 0.00 N ATOM 0 H GLN A 93 9.115 -2.440 4.073 1.00 0.00 H new ATOM 0 HA GLN A 93 11.689 -1.536 4.972 1.00 0.00 H new ATOM 0 HB2 GLN A 93 11.841 -2.934 6.940 1.00 0.00 H new ATOM 0 HB3 GLN A 93 10.601 -1.714 7.147 1.00 0.00 H new ATOM 0 HG2 GLN A 93 8.847 -3.360 6.696 1.00 0.00 H new ATOM 0 HG3 GLN A 93 10.046 -4.588 6.347 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.859 -3.521 8.489 1.00 0.00 H new ATOM 0 HE22 GLN A 93 11.170 -4.109 10.006 1.00 0.00 H new ATOM 1518 N THR A 94 12.586 -3.687 4.033 1.00 0.00 N ATOM 1519 CA THR A 94 13.072 -4.815 3.249 1.00 0.00 C ATOM 1520 C THR A 94 12.335 -6.097 3.602 1.00 0.00 C ATOM 1521 O THR A 94 12.387 -6.574 4.736 1.00 0.00 O ATOM 1522 CB THR A 94 14.578 -4.997 3.448 1.00 0.00 C ATOM 1523 OG1 THR A 94 14.842 -5.594 4.725 1.00 0.00 O ATOM 1524 CG2 THR A 94 15.267 -3.646 3.361 1.00 0.00 C ATOM 0 H THR A 94 13.315 -3.039 4.333 1.00 0.00 H new ATOM 0 HA THR A 94 12.878 -4.596 2.199 1.00 0.00 H new ATOM 0 HB THR A 94 14.963 -5.654 2.668 1.00 0.00 H new ATOM 0 HG1 THR A 94 13.998 -5.881 5.133 1.00 0.00 H new ATOM 0 HG21 THR A 94 16.340 -3.775 3.503 1.00 0.00 H new ATOM 0 HG22 THR A 94 15.081 -3.205 2.382 1.00 0.00 H new ATOM 0 HG23 THR A 94 14.875 -2.987 4.136 1.00 0.00 H new ATOM 1532 N ALA A 95 11.639 -6.634 2.607 1.00 0.00 N ATOM 1533 CA ALA A 95 10.848 -7.847 2.765 1.00 0.00 C ATOM 1534 C ALA A 95 11.634 -8.982 3.414 1.00 0.00 C ATOM 1535 O ALA A 95 12.840 -8.878 3.641 1.00 0.00 O ATOM 1536 CB ALA A 95 10.299 -8.281 1.419 1.00 0.00 C ATOM 0 H ALA A 95 11.608 -6.240 1.667 1.00 0.00 H new ATOM 0 HA ALA A 95 10.024 -7.614 3.440 1.00 0.00 H new ATOM 0 HB1 ALA A 95 9.708 -9.189 1.543 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.669 -7.491 1.011 1.00 0.00 H new ATOM 0 HB3 ALA A 95 11.125 -8.476 0.735 1.00 0.00 H new ATOM 1542 N GLN A 96 10.932 -10.072 3.701 1.00 0.00 N ATOM 1543 CA GLN A 96 11.526 -11.234 4.342 1.00 0.00 C ATOM 1544 C GLN A 96 12.416 -12.023 3.400 1.00 0.00 C ATOM 1545 O GLN A 96 13.629 -11.813 3.353 1.00 0.00 O ATOM 1546 CB GLN A 96 10.423 -12.124 4.894 1.00 0.00 C ATOM 1547 CG GLN A 96 9.386 -11.356 5.688 1.00 0.00 C ATOM 1548 CD GLN A 96 9.892 -10.934 7.053 1.00 0.00 C ATOM 1549 OE1 GLN A 96 9.754 -11.667 8.032 1.00 0.00 O ATOM 1550 NE2 GLN A 96 10.482 -9.747 7.125 1.00 0.00 N ATOM 0 H GLN A 96 9.938 -10.173 3.496 1.00 0.00 H new ATOM 0 HA GLN A 96 12.161 -10.879 5.153 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.932 -12.640 4.069 1.00 0.00 H new ATOM 0 HB3 GLN A 96 10.866 -12.890 5.530 1.00 0.00 H new ATOM 0 HG2 GLN A 96 9.086 -10.471 5.126 1.00 0.00 H new ATOM 0 HG3 GLN A 96 8.496 -11.974 5.809 1.00 0.00 H new ATOM 0 HE21 GLN A 96 10.575 -9.172 6.288 1.00 0.00 H new ATOM 0 HE22 GLN A 96 10.842 -9.410 8.018 1.00 0.00 H new ATOM 1559 N ASN A 97 11.807 -12.928 2.652 1.00 0.00 N ATOM 1560 CA ASN A 97 12.551 -13.771 1.732 1.00 0.00 C ATOM 1561 C ASN A 97 11.604 -14.537 0.803 1.00 0.00 C ATOM 1562 O ASN A 97 10.504 -14.912 1.209 1.00 0.00 O ATOM 1563 CB ASN A 97 13.413 -14.739 2.544 1.00 0.00 C ATOM 1564 CG ASN A 97 14.135 -15.762 1.691 1.00 0.00 C ATOM 1565 OD1 ASN A 97 13.592 -16.820 1.375 1.00 0.00 O ATOM 1566 ND2 ASN A 97 15.371 -15.452 1.315 1.00 0.00 N ATOM 0 H ASN A 97 10.801 -13.097 2.664 1.00 0.00 H new ATOM 0 HA ASN A 97 13.189 -13.149 1.104 1.00 0.00 H new ATOM 0 HB2 ASN A 97 14.147 -14.170 3.114 1.00 0.00 H new ATOM 0 HB3 ASN A 97 12.782 -15.258 3.265 1.00 0.00 H new ATOM 0 HD21 ASN A 97 15.908 -16.103 0.742 1.00 0.00 H new ATOM 0 HD22 ASN A 97 15.783 -14.563 1.600 1.00 0.00 H new ATOM 1573 N PRO A 98 12.012 -14.783 -0.460 1.00 0.00 N ATOM 1574 CA PRO A 98 13.307 -14.366 -0.997 1.00 0.00 C ATOM 1575 C PRO A 98 13.295 -12.923 -1.484 1.00 0.00 C ATOM 1576 O PRO A 98 14.242 -12.463 -2.124 1.00 0.00 O ATOM 1577 CB PRO A 98 13.479 -15.322 -2.169 1.00 0.00 C ATOM 1578 CG PRO A 98 12.106 -15.492 -2.692 1.00 0.00 C ATOM 1579 CD PRO A 98 11.221 -15.494 -1.483 1.00 0.00 C ATOM 0 HA PRO A 98 14.106 -14.401 -0.257 1.00 0.00 H new ATOM 0 HB2 PRO A 98 14.147 -14.911 -2.926 1.00 0.00 H new ATOM 0 HB3 PRO A 98 13.906 -16.273 -1.850 1.00 0.00 H new ATOM 0 HG2 PRO A 98 11.841 -14.683 -3.372 1.00 0.00 H new ATOM 0 HG3 PRO A 98 12.010 -16.423 -3.251 1.00 0.00 H new ATOM 0 HD2 PRO A 98 10.276 -14.988 -1.680 1.00 0.00 H new ATOM 0 HD3 PRO A 98 10.980 -16.509 -1.167 1.00 0.00 H new ATOM 1587 N TYR A 99 12.216 -12.215 -1.177 1.00 0.00 N ATOM 1588 CA TYR A 99 12.065 -10.832 -1.582 1.00 0.00 C ATOM 1589 C TYR A 99 12.780 -9.903 -0.608 1.00 0.00 C ATOM 1590 O TYR A 99 12.379 -8.763 -0.421 1.00 0.00 O ATOM 1591 CB TYR A 99 10.577 -10.484 -1.654 1.00 0.00 C ATOM 1592 CG TYR A 99 9.678 -11.690 -1.840 1.00 0.00 C ATOM 1593 CD1 TYR A 99 9.792 -12.506 -2.960 1.00 0.00 C ATOM 1594 CD2 TYR A 99 8.718 -12.015 -0.890 1.00 0.00 C ATOM 1595 CE1 TYR A 99 8.975 -13.609 -3.126 1.00 0.00 C ATOM 1596 CE2 TYR A 99 7.897 -13.115 -1.051 1.00 0.00 C ATOM 1597 CZ TYR A 99 8.031 -13.909 -2.168 1.00 0.00 C ATOM 1598 OH TYR A 99 7.214 -15.004 -2.331 1.00 0.00 O ATOM 0 H TYR A 99 11.428 -12.584 -0.644 1.00 0.00 H new ATOM 0 HA TYR A 99 12.516 -10.699 -2.566 1.00 0.00 H new ATOM 0 HB2 TYR A 99 10.290 -9.965 -0.740 1.00 0.00 H new ATOM 0 HB3 TYR A 99 10.415 -9.790 -2.479 1.00 0.00 H new ATOM 0 HD1 TYR A 99 10.531 -12.274 -3.713 1.00 0.00 H new ATOM 0 HD2 TYR A 99 8.611 -11.397 -0.010 1.00 0.00 H new ATOM 0 HE1 TYR A 99 9.076 -14.232 -4.002 1.00 0.00 H new ATOM 0 HE2 TYR A 99 7.154 -13.351 -0.304 1.00 0.00 H new ATOM 0 HH TYR A 99 6.606 -15.075 -1.566 1.00 0.00 H new ATOM 1608 N SER A 100 13.847 -10.394 0.007 1.00 0.00 N ATOM 1609 CA SER A 100 14.602 -9.594 0.964 1.00 0.00 C ATOM 1610 C SER A 100 15.077 -8.289 0.336 1.00 0.00 C ATOM 1611 O SER A 100 15.021 -7.232 0.965 1.00 0.00 O ATOM 1612 CB SER A 100 15.795 -10.386 1.500 1.00 0.00 C ATOM 1613 OG SER A 100 16.559 -9.608 2.405 1.00 0.00 O ATOM 0 H SER A 100 14.209 -11.337 -0.138 1.00 0.00 H new ATOM 0 HA SER A 100 13.938 -9.351 1.794 1.00 0.00 H new ATOM 0 HB2 SER A 100 15.442 -11.288 2.000 1.00 0.00 H new ATOM 0 HB3 SER A 100 16.425 -10.707 0.670 1.00 0.00 H new ATOM 0 HG SER A 100 17.315 -10.138 2.734 1.00 0.00 H new ATOM 1619 N ASP A 101 15.543 -8.366 -0.905 1.00 0.00 N ATOM 1620 CA ASP A 101 16.021 -7.184 -1.614 1.00 0.00 C ATOM 1621 C ASP A 101 14.857 -6.264 -1.965 1.00 0.00 C ATOM 1622 O ASP A 101 15.057 -5.155 -2.462 1.00 0.00 O ATOM 1623 CB ASP A 101 16.771 -7.589 -2.883 1.00 0.00 C ATOM 1624 CG ASP A 101 17.961 -8.482 -2.590 1.00 0.00 C ATOM 1625 OD1 ASP A 101 19.026 -7.949 -2.216 1.00 0.00 O ATOM 1626 OD2 ASP A 101 17.826 -9.715 -2.736 1.00 0.00 O ATOM 0 H ASP A 101 15.600 -9.232 -1.441 1.00 0.00 H new ATOM 0 HA ASP A 101 16.706 -6.646 -0.959 1.00 0.00 H new ATOM 0 HB2 ASP A 101 16.088 -8.107 -3.556 1.00 0.00 H new ATOM 0 HB3 ASP A 101 17.111 -6.693 -3.402 1.00 0.00 H new ATOM 1631 N GLU A 102 13.640 -6.734 -1.705 1.00 0.00 N ATOM 1632 CA GLU A 102 12.445 -5.960 -1.985 1.00 0.00 C ATOM 1633 C GLU A 102 12.084 -5.076 -0.809 1.00 0.00 C ATOM 1634 O GLU A 102 12.940 -4.716 -0.001 1.00 0.00 O ATOM 1635 CB GLU A 102 11.283 -6.882 -2.298 1.00 0.00 C ATOM 1636 CG GLU A 102 11.486 -7.691 -3.557 1.00 0.00 C ATOM 1637 CD GLU A 102 12.454 -7.049 -4.535 1.00 0.00 C ATOM 1638 OE1 GLU A 102 12.019 -6.175 -5.314 1.00 0.00 O ATOM 1639 OE2 GLU A 102 13.645 -7.422 -4.521 1.00 0.00 O ATOM 0 H GLU A 102 13.460 -7.652 -1.299 1.00 0.00 H new ATOM 0 HA GLU A 102 12.650 -5.328 -2.849 1.00 0.00 H new ATOM 0 HB2 GLU A 102 11.130 -7.561 -1.459 1.00 0.00 H new ATOM 0 HB3 GLU A 102 10.374 -6.289 -2.398 1.00 0.00 H new ATOM 0 HG2 GLU A 102 11.855 -8.681 -3.289 1.00 0.00 H new ATOM 0 HG3 GLU A 102 10.524 -7.832 -4.049 1.00 0.00 H new ATOM 1646 N ILE A 103 10.804 -4.736 -0.715 1.00 0.00 N ATOM 1647 CA ILE A 103 10.319 -3.883 0.359 1.00 0.00 C ATOM 1648 C ILE A 103 8.886 -4.220 0.755 1.00 0.00 C ATOM 1649 O ILE A 103 7.937 -3.936 0.022 1.00 0.00 O ATOM 1650 CB ILE A 103 10.394 -2.388 -0.034 1.00 0.00 C ATOM 1651 CG1 ILE A 103 11.837 -1.998 -0.376 1.00 0.00 C ATOM 1652 CG2 ILE A 103 9.830 -1.504 1.077 1.00 0.00 C ATOM 1653 CD1 ILE A 103 11.991 -0.607 -0.959 1.00 0.00 C ATOM 0 H ILE A 103 10.084 -5.039 -1.371 1.00 0.00 H new ATOM 0 HA ILE A 103 10.970 -4.068 1.213 1.00 0.00 H new ATOM 0 HB ILE A 103 9.781 -2.232 -0.922 1.00 0.00 H new ATOM 0 HG12 ILE A 103 12.443 -2.069 0.527 1.00 0.00 H new ATOM 0 HG13 ILE A 103 12.237 -2.722 -1.086 1.00 0.00 H new ATOM 0 HG21 ILE A 103 9.894 -0.458 0.777 1.00 0.00 H new ATOM 0 HG22 ILE A 103 8.788 -1.767 1.257 1.00 0.00 H new ATOM 0 HG23 ILE A 103 10.406 -1.655 1.990 1.00 0.00 H new ATOM 0 HD11 ILE A 103 13.043 -0.416 -1.171 1.00 0.00 H new ATOM 0 HD12 ILE A 103 11.416 -0.534 -1.882 1.00 0.00 H new ATOM 0 HD13 ILE A 103 11.625 0.130 -0.244 1.00 0.00 H new ATOM 1665 N GLU A 104 8.749 -4.840 1.921 1.00 0.00 N ATOM 1666 CA GLU A 104 7.452 -5.198 2.467 1.00 0.00 C ATOM 1667 C GLU A 104 6.790 -3.961 3.060 1.00 0.00 C ATOM 1668 O GLU A 104 7.211 -3.460 4.102 1.00 0.00 O ATOM 1669 CB GLU A 104 7.626 -6.254 3.551 1.00 0.00 C ATOM 1670 CG GLU A 104 6.382 -7.086 3.796 1.00 0.00 C ATOM 1671 CD GLU A 104 6.608 -8.191 4.809 1.00 0.00 C ATOM 1672 OE1 GLU A 104 7.098 -9.270 4.412 1.00 0.00 O ATOM 1673 OE2 GLU A 104 6.297 -7.978 6.000 1.00 0.00 O ATOM 0 H GLU A 104 9.536 -5.107 2.512 1.00 0.00 H new ATOM 0 HA GLU A 104 6.824 -5.599 1.672 1.00 0.00 H new ATOM 0 HB2 GLU A 104 8.446 -6.916 3.273 1.00 0.00 H new ATOM 0 HB3 GLU A 104 7.913 -5.764 4.481 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.579 -6.437 4.145 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.051 -7.524 2.854 1.00 0.00 H new ATOM 1680 N THR A 105 5.756 -3.476 2.394 1.00 0.00 N ATOM 1681 CA THR A 105 5.055 -2.285 2.841 1.00 0.00 C ATOM 1682 C THR A 105 3.640 -2.601 3.308 1.00 0.00 C ATOM 1683 O THR A 105 2.788 -3.005 2.516 1.00 0.00 O ATOM 1684 CB THR A 105 5.014 -1.236 1.716 1.00 0.00 C ATOM 1685 OG1 THR A 105 6.308 -0.651 1.568 1.00 0.00 O ATOM 1686 CG2 THR A 105 3.989 -0.148 1.990 1.00 0.00 C ATOM 0 H THR A 105 5.383 -3.890 1.540 1.00 0.00 H new ATOM 0 HA THR A 105 5.605 -1.883 3.692 1.00 0.00 H new ATOM 0 HB THR A 105 4.720 -1.741 0.796 1.00 0.00 H new ATOM 0 HG1 THR A 105 6.440 -0.380 0.636 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.994 0.571 1.171 1.00 0.00 H new ATOM 0 HG22 THR A 105 2.998 -0.595 2.075 1.00 0.00 H new ATOM 0 HG23 THR A 105 4.239 0.361 2.921 1.00 0.00 H new ATOM 1694 N ILE A 106 3.399 -2.414 4.603 1.00 0.00 N ATOM 1695 CA ILE A 106 2.079 -2.665 5.172 1.00 0.00 C ATOM 1696 C ILE A 106 1.237 -1.400 5.147 1.00 0.00 C ATOM 1697 O ILE A 106 1.411 -0.508 5.978 1.00 0.00 O ATOM 1698 CB ILE A 106 2.146 -3.184 6.625 1.00 0.00 C ATOM 1699 CG1 ILE A 106 2.818 -4.558 6.673 1.00 0.00 C ATOM 1700 CG2 ILE A 106 0.742 -3.253 7.226 1.00 0.00 C ATOM 1701 CD1 ILE A 106 4.318 -4.510 6.482 1.00 0.00 C ATOM 0 H ILE A 106 4.096 -2.092 5.274 1.00 0.00 H new ATOM 0 HA ILE A 106 1.623 -3.438 4.554 1.00 0.00 H new ATOM 0 HB ILE A 106 2.744 -2.490 7.216 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.598 -5.027 7.632 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.383 -5.192 5.901 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.802 -3.620 8.250 1.00 0.00 H new ATOM 0 HG22 ILE A 106 0.296 -2.259 7.223 1.00 0.00 H new ATOM 0 HG23 ILE A 106 0.126 -3.929 6.634 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.723 -5.521 6.528 1.00 0.00 H new ATOM 0 HD12 ILE A 106 4.547 -4.071 5.511 1.00 0.00 H new ATOM 0 HD13 ILE A 106 4.766 -3.903 7.269 1.00 0.00 H new ATOM 1713 N ILE A 107 0.326 -1.328 4.189 1.00 0.00 N ATOM 1714 CA ILE A 107 -0.545 -0.174 4.058 1.00 0.00 C ATOM 1715 C ILE A 107 -1.743 -0.281 5.002 1.00 0.00 C ATOM 1716 O ILE A 107 -2.637 -1.097 4.790 1.00 0.00 O ATOM 1717 CB ILE A 107 -1.036 -0.026 2.617 1.00 0.00 C ATOM 1718 CG1 ILE A 107 0.162 0.148 1.689 1.00 0.00 C ATOM 1719 CG2 ILE A 107 -1.983 1.154 2.507 1.00 0.00 C ATOM 1720 CD1 ILE A 107 -0.190 0.063 0.227 1.00 0.00 C ATOM 0 H ILE A 107 0.172 -2.056 3.491 1.00 0.00 H new ATOM 0 HA ILE A 107 0.035 0.709 4.327 1.00 0.00 H new ATOM 0 HB ILE A 107 -1.580 -0.923 2.322 1.00 0.00 H new ATOM 0 HG12 ILE A 107 0.627 1.114 1.887 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.904 -0.616 1.920 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -2.326 1.250 1.477 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -2.840 0.995 3.162 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -1.464 2.066 2.803 1.00 0.00 H new ATOM 0 HD11 ILE A 107 0.711 0.196 -0.372 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.627 -0.913 0.014 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -0.909 0.844 -0.020 1.00 0.00 H new ATOM 1732 N CYS A 108 -1.757 0.555 6.038 1.00 0.00 N ATOM 1733 CA CYS A 108 -2.832 0.535 7.027 1.00 0.00 C ATOM 1734 C CYS A 108 -3.777 1.725 6.876 1.00 0.00 C ATOM 1735 O CYS A 108 -3.343 2.874 6.813 1.00 0.00 O ATOM 1736 CB CYS A 108 -2.237 0.531 8.436 1.00 0.00 C ATOM 1737 SG CYS A 108 -3.450 0.768 9.756 1.00 0.00 S ATOM 0 H CYS A 108 -1.036 1.255 6.214 1.00 0.00 H new ATOM 0 HA CYS A 108 -3.413 -0.372 6.860 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -1.722 -0.416 8.598 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -1.486 1.318 8.503 1.00 0.00 H new ATOM 0 HG CYS A 108 -4.531 0.103 9.476 1.00 0.00 H new ATOM 1743 N THR A 109 -5.075 1.435 6.829 1.00 0.00 N ATOM 1744 CA THR A 109 -6.094 2.475 6.709 1.00 0.00 C ATOM 1745 C THR A 109 -6.090 3.371 7.943 1.00 0.00 C ATOM 1746 O THR A 109 -5.969 2.886 9.068 1.00 0.00 O ATOM 1747 CB THR A 109 -7.499 1.865 6.559 1.00 0.00 C ATOM 1748 OG1 THR A 109 -7.763 0.969 7.645 1.00 0.00 O ATOM 1749 CG2 THR A 109 -7.628 1.125 5.241 1.00 0.00 C ATOM 0 H THR A 109 -5.447 0.486 6.872 1.00 0.00 H new ATOM 0 HA THR A 109 -5.856 3.058 5.820 1.00 0.00 H new ATOM 0 HB THR A 109 -8.227 2.676 6.574 1.00 0.00 H new ATOM 0 HG1 THR A 109 -8.585 0.468 7.463 1.00 0.00 H new ATOM 0 HG21 THR A 109 -8.629 0.702 5.157 1.00 0.00 H new ATOM 0 HG22 THR A 109 -7.456 1.817 4.417 1.00 0.00 H new ATOM 0 HG23 THR A 109 -6.891 0.323 5.201 1.00 0.00 H new ATOM 1757 N ASN A 110 -6.225 4.676 7.734 1.00 0.00 N ATOM 1758 CA ASN A 110 -6.242 5.623 8.844 1.00 0.00 C ATOM 1759 C ASN A 110 -7.568 6.375 8.896 1.00 0.00 C ATOM 1760 O ASN A 110 -8.132 6.580 9.971 1.00 0.00 O ATOM 1761 CB ASN A 110 -5.078 6.609 8.732 1.00 0.00 C ATOM 1762 CG ASN A 110 -4.885 7.421 10.000 1.00 0.00 C ATOM 1763 OD1 ASN A 110 -5.850 7.792 10.669 1.00 0.00 O ATOM 1764 ND2 ASN A 110 -3.632 7.692 10.347 1.00 0.00 N ATOM 0 H ASN A 110 -6.324 5.101 6.812 1.00 0.00 H new ATOM 0 HA ASN A 110 -6.130 5.058 9.769 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -4.162 6.062 8.511 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -5.256 7.284 7.895 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -3.442 8.226 11.195 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -2.860 7.366 9.765 1.00 0.00 H new ATOM 1771 N THR A 111 -8.059 6.787 7.732 1.00 0.00 N ATOM 1772 CA THR A 111 -9.320 7.514 7.654 1.00 0.00 C ATOM 1773 C THR A 111 -10.489 6.558 7.439 1.00 0.00 C ATOM 1774 O THR A 111 -10.327 5.485 6.860 1.00 0.00 O ATOM 1775 CB THR A 111 -9.303 8.555 6.519 1.00 0.00 C ATOM 1776 OG1 THR A 111 -10.526 9.299 6.517 1.00 0.00 O ATOM 1777 CG2 THR A 111 -9.110 7.884 5.167 1.00 0.00 C ATOM 0 H THR A 111 -7.604 6.630 6.832 1.00 0.00 H new ATOM 0 HA THR A 111 -9.447 8.032 8.604 1.00 0.00 H new ATOM 0 HB THR A 111 -8.466 9.232 6.692 1.00 0.00 H new ATOM 0 HG1 THR A 111 -10.506 9.960 5.793 1.00 0.00 H new ATOM 0 HG21 THR A 111 -9.102 8.641 4.383 1.00 0.00 H new ATOM 0 HG22 THR A 111 -8.163 7.344 5.160 1.00 0.00 H new ATOM 0 HG23 THR A 111 -9.927 7.185 4.988 1.00 0.00 H new ATOM 1785 N ASN A 112 -11.667 6.955 7.911 1.00 0.00 N ATOM 1786 CA ASN A 112 -12.866 6.134 7.770 1.00 0.00 C ATOM 1787 C ASN A 112 -13.997 6.929 7.127 1.00 0.00 C ATOM 1788 O ASN A 112 -14.336 8.023 7.579 1.00 0.00 O ATOM 1789 CB ASN A 112 -13.307 5.602 9.135 1.00 0.00 C ATOM 1790 CG ASN A 112 -13.541 6.712 10.140 1.00 0.00 C ATOM 1791 OD1 ASN A 112 -14.647 7.243 10.249 1.00 0.00 O ATOM 1792 ND2 ASN A 112 -12.499 7.069 10.881 1.00 0.00 N ATOM 0 H ASN A 112 -11.817 7.840 8.395 1.00 0.00 H new ATOM 0 HA ASN A 112 -12.627 5.292 7.121 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -14.223 5.023 9.018 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -12.547 4.922 9.520 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -12.596 7.811 11.574 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -11.601 6.602 10.757 1.00 0.00 H new ATOM 1799 N VAL A 113 -14.580 6.369 6.070 1.00 0.00 N ATOM 1800 CA VAL A 113 -15.674 7.023 5.363 1.00 0.00 C ATOM 1801 C VAL A 113 -16.971 6.956 6.163 1.00 0.00 C ATOM 1802 O VAL A 113 -16.997 6.436 7.278 1.00 0.00 O ATOM 1803 CB VAL A 113 -15.901 6.397 3.974 1.00 0.00 C ATOM 1804 CG1 VAL A 113 -14.705 6.654 3.070 1.00 0.00 C ATOM 1805 CG2 VAL A 113 -16.171 4.905 4.099 1.00 0.00 C ATOM 0 H VAL A 113 -14.312 5.463 5.685 1.00 0.00 H new ATOM 0 HA VAL A 113 -15.387 8.067 5.238 1.00 0.00 H new ATOM 0 HB VAL A 113 -16.776 6.866 3.523 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -14.884 6.204 2.093 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -14.561 7.728 2.954 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -13.812 6.214 3.514 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -16.329 4.480 3.108 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -15.317 4.419 4.571 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -17.061 4.746 4.708 1.00 0.00 H new ATOM 1815 N LYS A 114 -18.046 7.480 5.582 1.00 0.00 N ATOM 1816 CA LYS A 114 -19.348 7.491 6.243 1.00 0.00 C ATOM 1817 C LYS A 114 -19.856 6.073 6.494 1.00 0.00 C ATOM 1818 O LYS A 114 -19.706 5.536 7.592 1.00 0.00 O ATOM 1819 CB LYS A 114 -20.363 8.270 5.404 1.00 0.00 C ATOM 1820 CG LYS A 114 -21.709 8.448 6.089 1.00 0.00 C ATOM 1821 CD LYS A 114 -22.692 9.209 5.211 1.00 0.00 C ATOM 1822 CE LYS A 114 -22.236 10.639 4.966 1.00 0.00 C ATOM 1823 NZ LYS A 114 -23.220 11.403 4.150 1.00 0.00 N ATOM 0 H LYS A 114 -18.042 7.903 4.654 1.00 0.00 H new ATOM 0 HA LYS A 114 -19.228 7.983 7.208 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -19.951 9.252 5.170 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -20.512 7.752 4.456 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -22.123 7.471 6.336 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -21.571 8.983 7.029 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -22.802 8.694 4.257 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -23.674 9.216 5.685 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -22.089 11.142 5.922 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -21.272 10.631 4.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -22.873 12.373 4.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -23.342 10.938 3.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -24.134 11.433 4.646 1.00 0.00 H new ATOM 1837 N ASN A 115 -20.457 5.470 5.473 1.00 0.00 N ATOM 1838 CA ASN A 115 -20.994 4.118 5.590 1.00 0.00 C ATOM 1839 C ASN A 115 -19.956 3.072 5.195 1.00 0.00 C ATOM 1840 O ASN A 115 -18.787 3.392 4.984 1.00 0.00 O ATOM 1841 CB ASN A 115 -22.246 3.968 4.721 1.00 0.00 C ATOM 1842 CG ASN A 115 -22.005 4.365 3.277 1.00 0.00 C ATOM 1843 OD1 ASN A 115 -20.895 4.233 2.759 1.00 0.00 O ATOM 1844 ND2 ASN A 115 -23.047 4.855 2.618 1.00 0.00 N ATOM 0 H ASN A 115 -20.585 5.896 4.555 1.00 0.00 H new ATOM 0 HA ASN A 115 -21.260 3.953 6.634 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -22.587 2.933 4.757 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -23.046 4.582 5.134 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -22.946 5.139 1.644 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -23.949 4.947 3.086 1.00 0.00 H new ATOM 1851 N SER A 116 -20.397 1.819 5.103 1.00 0.00 N ATOM 1852 CA SER A 116 -19.519 0.711 4.735 1.00 0.00 C ATOM 1853 C SER A 116 -18.374 0.558 5.733 1.00 0.00 C ATOM 1854 O SER A 116 -18.359 1.206 6.780 1.00 0.00 O ATOM 1855 CB SER A 116 -18.962 0.914 3.323 1.00 0.00 C ATOM 1856 OG SER A 116 -20.006 0.975 2.367 1.00 0.00 O ATOM 0 H SER A 116 -21.364 1.545 5.280 1.00 0.00 H new ATOM 0 HA SER A 116 -20.112 -0.203 4.754 1.00 0.00 H new ATOM 0 HB2 SER A 116 -18.378 1.834 3.288 1.00 0.00 H new ATOM 0 HB3 SER A 116 -18.285 0.097 3.075 1.00 0.00 H new ATOM 0 HG SER A 116 -19.625 1.107 1.474 1.00 0.00 H new ATOM 1862 N SER A 117 -17.417 -0.303 5.400 1.00 0.00 N ATOM 1863 CA SER A 117 -16.268 -0.548 6.267 1.00 0.00 C ATOM 1864 C SER A 117 -15.370 0.683 6.350 1.00 0.00 C ATOM 1865 O SER A 117 -15.740 1.766 5.896 1.00 0.00 O ATOM 1866 CB SER A 117 -15.466 -1.747 5.756 1.00 0.00 C ATOM 1867 OG SER A 117 -16.263 -2.919 5.731 1.00 0.00 O ATOM 0 H SER A 117 -17.414 -0.844 4.535 1.00 0.00 H new ATOM 0 HA SER A 117 -16.641 -0.767 7.268 1.00 0.00 H new ATOM 0 HB2 SER A 117 -15.090 -1.537 4.755 1.00 0.00 H new ATOM 0 HB3 SER A 117 -14.598 -1.907 6.395 1.00 0.00 H new ATOM 0 HG SER A 117 -15.729 -3.671 5.399 1.00 0.00 H new ATOM 1873 N GLN A 118 -14.188 0.508 6.936 1.00 0.00 N ATOM 1874 CA GLN A 118 -13.235 1.603 7.081 1.00 0.00 C ATOM 1875 C GLN A 118 -12.847 2.167 5.718 1.00 0.00 C ATOM 1876 O GLN A 118 -13.369 3.200 5.296 1.00 0.00 O ATOM 1877 CB GLN A 118 -11.987 1.131 7.830 1.00 0.00 C ATOM 1878 CG GLN A 118 -12.287 0.549 9.202 1.00 0.00 C ATOM 1879 CD GLN A 118 -11.036 0.123 9.948 1.00 0.00 C ATOM 1880 OE1 GLN A 118 -11.062 -0.827 10.732 1.00 0.00 O ATOM 1881 NE2 GLN A 118 -9.935 0.828 9.715 1.00 0.00 N ATOM 0 H GLN A 118 -13.868 -0.382 7.318 1.00 0.00 H new ATOM 0 HA GLN A 118 -13.713 2.394 7.659 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -11.475 0.379 7.229 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -11.301 1.971 7.942 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -12.824 1.289 9.796 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -12.948 -0.311 9.090 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -9.958 1.607 9.057 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -9.066 0.590 10.194 1.00 0.00 H new ATOM 1890 N GLU A 119 -11.934 1.482 5.030 1.00 0.00 N ATOM 1891 CA GLU A 119 -11.482 1.917 3.713 1.00 0.00 C ATOM 1892 C GLU A 119 -11.014 3.370 3.750 1.00 0.00 C ATOM 1893 O GLU A 119 -11.823 4.262 3.415 1.00 0.00 O ATOM 1894 CB GLU A 119 -12.608 1.750 2.688 1.00 0.00 C ATOM 1895 CG GLU A 119 -13.225 0.361 2.685 1.00 0.00 C ATOM 1896 CD GLU A 119 -14.343 0.221 1.671 1.00 0.00 C ATOM 1897 OE1 GLU A 119 -15.498 0.551 2.012 1.00 0.00 O ATOM 1898 OE2 GLU A 119 -14.063 -0.220 0.536 1.00 0.00 O ATOM 1899 OXT GLU A 119 -9.842 3.603 4.113 1.00 0.00 O ATOM 0 H GLU A 119 -11.494 0.624 5.364 1.00 0.00 H new ATOM 0 HA GLU A 119 -10.637 1.294 3.418 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -13.387 2.484 2.893 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -12.218 1.968 1.694 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -12.451 -0.376 2.471 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -13.611 0.137 3.679 1.00 0.00 H new TER 1906 GLU A 119