USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 733 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 30 THR OG1 : rot 180:sc= 0.00712 USER MOD Set 1.2: A 56 HIS :FLIP no HD1:sc= 0.21 F(o=-1.8!,f=0.22) USER MOD Set 2.1: A 28 THR OG1 : rot 180:sc= -0.199 USER MOD Set 2.2: A 41 MET CE :methyl 172:sc= -0.647 (180deg=-0.912) USER MOD Single : A 1 GLY N :NH3+ 172:sc= 0 (180deg=-0.037) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 61:sc= 0.00657 USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN :FLIP amide:sc= -4.71! C(o=-5.3!,f=-4.7!) USER MOD Single : A 29 LYS NZ :NH3+ 157:sc= -0.327 (180deg=-0.953) USER MOD Single : A 32 GLN :FLIP amide:sc= 0 F(o=-1!,f=0) USER MOD Single : A 33 ASN : amide:sc= -1.24 K(o=-1.2,f=-3.7!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= -0.549 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -0.0569 X(o=-0.057,f=-0.057) USER MOD Single : A 70 HIS : no HD1:sc= -0.452 X(o=-0.45,f=-0.69) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.294 F(o=-2.1,f=-0.29) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -1.76! C(o=-1.8!,f=-1.6!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -166:sc= -0.0148 (180deg=-0.289) USER MOD Single : A 96 ASN : amide:sc= -0.145 K(o=-0.14,f=-2!) USER MOD Single : A 98 THR OG1 : rot -29:sc= 0.0926 USER MOD Single : A 100 HIS : no HD1:sc= -2.67! C(o=-2.7!,f=-5.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 64.603 8.269 -30.435 1.00 0.00 N ATOM 2 CA GLY A 1 64.788 8.783 -29.048 1.00 0.00 C ATOM 3 C GLY A 1 63.440 8.840 -28.337 1.00 0.00 C ATOM 4 O GLY A 1 63.107 9.836 -27.693 1.00 0.00 O ATOM 0 H1 GLY A 1 65.496 8.358 -30.960 1.00 0.00 H new ATOM 0 H2 GLY A 1 64.320 7.269 -30.400 1.00 0.00 H new ATOM 0 H3 GLY A 1 63.863 8.821 -30.914 1.00 0.00 H new ATOM 0 HA2 GLY A 1 65.473 8.137 -28.499 1.00 0.00 H new ATOM 0 HA3 GLY A 1 65.238 9.775 -29.075 1.00 0.00 H new ATOM 10 N ALA A 2 62.678 7.757 -28.448 1.00 0.00 N ATOM 11 CA ALA A 2 61.373 7.670 -27.802 1.00 0.00 C ATOM 12 C ALA A 2 60.794 6.266 -27.967 1.00 0.00 C ATOM 13 O ALA A 2 60.290 5.917 -29.034 1.00 0.00 O ATOM 14 CB ALA A 2 60.412 8.702 -28.408 1.00 0.00 C ATOM 0 H ALA A 2 62.942 6.927 -28.979 1.00 0.00 H new ATOM 0 HA ALA A 2 61.497 7.880 -26.740 1.00 0.00 H new ATOM 0 HB1 ALA A 2 59.441 8.627 -27.918 1.00 0.00 H new ATOM 0 HB2 ALA A 2 60.816 9.704 -28.263 1.00 0.00 H new ATOM 0 HB3 ALA A 2 60.296 8.509 -29.474 1.00 0.00 H new ATOM 20 N MET A 3 60.856 5.470 -26.906 1.00 0.00 N ATOM 21 CA MET A 3 60.317 4.112 -26.943 1.00 0.00 C ATOM 22 C MET A 3 59.980 3.642 -25.527 1.00 0.00 C ATOM 23 O MET A 3 60.184 4.368 -24.554 1.00 0.00 O ATOM 24 CB MET A 3 61.330 3.139 -27.605 1.00 0.00 C ATOM 25 CG MET A 3 61.166 3.101 -29.149 1.00 0.00 C ATOM 26 SD MET A 3 62.389 4.195 -29.939 1.00 0.00 S ATOM 27 CE MET A 3 63.797 3.047 -30.047 1.00 0.00 C ATOM 0 H MET A 3 61.271 5.737 -26.014 1.00 0.00 H new ATOM 0 HA MET A 3 59.405 4.117 -27.540 1.00 0.00 H new ATOM 0 HB2 MET A 3 62.346 3.445 -27.354 1.00 0.00 H new ATOM 0 HB3 MET A 3 61.190 2.137 -27.200 1.00 0.00 H new ATOM 0 HG2 MET A 3 61.293 2.081 -29.510 1.00 0.00 H new ATOM 0 HG3 MET A 3 60.158 3.413 -29.423 1.00 0.00 H new ATOM 0 HE1 MET A 3 64.644 3.553 -30.510 1.00 0.00 H new ATOM 0 HE2 MET A 3 64.075 2.717 -29.046 1.00 0.00 H new ATOM 0 HE3 MET A 3 63.517 2.183 -30.649 1.00 0.00 H new ATOM 37 N GLY A 4 59.439 2.432 -25.426 1.00 0.00 N ATOM 38 CA GLY A 4 59.048 1.881 -24.133 1.00 0.00 C ATOM 39 C GLY A 4 60.243 1.768 -23.192 1.00 0.00 C ATOM 40 O GLY A 4 61.391 1.698 -23.632 1.00 0.00 O ATOM 0 H GLY A 4 59.262 1.817 -26.220 1.00 0.00 H new ATOM 0 HA2 GLY A 4 58.286 2.516 -23.681 1.00 0.00 H new ATOM 0 HA3 GLY A 4 58.601 0.897 -24.275 1.00 0.00 H new ATOM 44 N SER A 5 59.958 1.748 -21.890 1.00 0.00 N ATOM 45 CA SER A 5 61.010 1.638 -20.882 1.00 0.00 C ATOM 46 C SER A 5 60.397 1.460 -19.483 1.00 0.00 C ATOM 47 O SER A 5 60.305 0.342 -18.976 1.00 0.00 O ATOM 48 CB SER A 5 61.918 2.878 -20.947 1.00 0.00 C ATOM 49 OG SER A 5 63.234 2.468 -21.300 1.00 0.00 O ATOM 0 H SER A 5 59.013 1.806 -21.511 1.00 0.00 H new ATOM 0 HA SER A 5 61.618 0.757 -21.086 1.00 0.00 H new ATOM 0 HB2 SER A 5 61.535 3.588 -21.680 1.00 0.00 H new ATOM 0 HB3 SER A 5 61.928 3.389 -19.984 1.00 0.00 H new ATOM 0 HG SER A 5 63.217 2.033 -22.178 1.00 0.00 H new ATOM 55 N CYS A 6 59.957 2.566 -18.876 1.00 0.00 N ATOM 56 CA CYS A 6 59.335 2.512 -17.550 1.00 0.00 C ATOM 57 C CYS A 6 57.881 2.079 -17.684 1.00 0.00 C ATOM 58 O CYS A 6 57.556 0.918 -17.439 1.00 0.00 O ATOM 59 CB CYS A 6 59.402 3.890 -16.894 1.00 0.00 C ATOM 60 SG CYS A 6 61.067 4.543 -17.111 1.00 0.00 S ATOM 0 H CYS A 6 60.019 3.502 -19.277 1.00 0.00 H new ATOM 0 HA CYS A 6 59.870 1.792 -16.931 1.00 0.00 H new ATOM 0 HB2 CYS A 6 58.670 4.560 -17.344 1.00 0.00 H new ATOM 0 HB3 CYS A 6 59.158 3.818 -15.834 1.00 0.00 H new ATOM 65 N ARG A 7 57.044 3.015 -18.160 1.00 0.00 N ATOM 66 CA ARG A 7 55.624 2.767 -18.452 1.00 0.00 C ATOM 67 C ARG A 7 54.782 4.048 -18.268 1.00 0.00 C ATOM 68 O ARG A 7 54.012 4.378 -19.168 1.00 0.00 O ATOM 69 CB ARG A 7 55.057 1.546 -17.662 1.00 0.00 C ATOM 70 CG ARG A 7 53.499 1.478 -17.715 1.00 0.00 C ATOM 71 CD ARG A 7 53.065 0.389 -18.701 1.00 0.00 C ATOM 72 NE ARG A 7 51.633 0.468 -18.945 1.00 0.00 N ATOM 73 CZ ARG A 7 51.130 1.349 -19.798 1.00 0.00 C ATOM 74 NH1 ARG A 7 51.927 2.153 -20.453 1.00 0.00 N ATOM 75 NH2 ARG A 7 49.841 1.408 -19.989 1.00 0.00 N1+ ATOM 0 H ARG A 7 57.337 3.973 -18.354 1.00 0.00 H new ATOM 0 HA ARG A 7 55.551 2.491 -19.504 1.00 0.00 H new ATOM 0 HB2 ARG A 7 55.473 0.626 -18.072 1.00 0.00 H new ATOM 0 HB3 ARG A 7 55.381 1.606 -16.623 1.00 0.00 H new ATOM 0 HG2 ARG A 7 53.100 1.264 -16.723 1.00 0.00 H new ATOM 0 HG3 ARG A 7 53.093 2.442 -18.021 1.00 0.00 H new ATOM 0 HD2 ARG A 7 53.607 0.502 -19.640 1.00 0.00 H new ATOM 0 HD3 ARG A 7 53.319 -0.593 -18.303 1.00 0.00 H new ATOM 0 HE ARG A 7 51.005 -0.166 -18.451 1.00 0.00 H new ATOM 0 HH11 ARG A 7 52.935 2.102 -20.307 1.00 0.00 H new ATOM 0 HH12 ARG A 7 51.540 2.831 -21.110 1.00 0.00 H new ATOM 0 HH21 ARG A 7 49.221 0.776 -19.482 1.00 0.00 H new ATOM 0 HH22 ARG A 7 49.453 2.086 -20.645 1.00 0.00 H new ATOM 89 N PRO A 8 54.876 4.782 -17.170 1.00 0.00 N ATOM 90 CA PRO A 8 54.075 6.019 -16.979 1.00 0.00 C ATOM 91 C PRO A 8 54.879 7.285 -17.309 1.00 0.00 C ATOM 92 O PRO A 8 55.753 7.668 -16.531 1.00 0.00 O ATOM 93 CB PRO A 8 53.763 5.960 -15.479 1.00 0.00 C ATOM 94 CG PRO A 8 54.929 5.227 -14.847 1.00 0.00 C ATOM 95 CD PRO A 8 55.724 4.551 -15.989 1.00 0.00 C ATOM 0 HA PRO A 8 53.199 6.066 -17.626 1.00 0.00 H new ATOM 0 HB2 PRO A 8 53.657 6.961 -15.061 1.00 0.00 H new ATOM 0 HB3 PRO A 8 52.825 5.437 -15.294 1.00 0.00 H new ATOM 0 HG2 PRO A 8 55.564 5.920 -14.295 1.00 0.00 H new ATOM 0 HG3 PRO A 8 54.574 4.483 -14.134 1.00 0.00 H new ATOM 0 HD2 PRO A 8 56.712 4.995 -16.110 1.00 0.00 H new ATOM 0 HD3 PRO A 8 55.873 3.488 -15.802 1.00 0.00 H new ATOM 103 N PRO A 9 54.617 7.959 -18.409 1.00 0.00 N ATOM 104 CA PRO A 9 55.372 9.201 -18.746 1.00 0.00 C ATOM 105 C PRO A 9 55.200 10.259 -17.656 1.00 0.00 C ATOM 106 O PRO A 9 54.093 10.492 -17.175 1.00 0.00 O ATOM 107 CB PRO A 9 54.750 9.670 -20.078 1.00 0.00 C ATOM 108 CG PRO A 9 54.105 8.450 -20.648 1.00 0.00 C ATOM 109 CD PRO A 9 53.618 7.644 -19.447 1.00 0.00 C ATOM 0 HA PRO A 9 56.445 9.029 -18.825 1.00 0.00 H new ATOM 0 HB2 PRO A 9 54.021 10.464 -19.916 1.00 0.00 H new ATOM 0 HB3 PRO A 9 55.510 10.067 -20.751 1.00 0.00 H new ATOM 0 HG2 PRO A 9 53.276 8.715 -21.304 1.00 0.00 H new ATOM 0 HG3 PRO A 9 54.813 7.875 -21.245 1.00 0.00 H new ATOM 0 HD2 PRO A 9 52.614 7.939 -19.143 1.00 0.00 H new ATOM 0 HD3 PRO A 9 53.585 6.576 -19.664 1.00 0.00 H new ATOM 117 N MET A 10 56.299 10.918 -17.290 1.00 0.00 N ATOM 118 CA MET A 10 56.268 11.972 -16.278 1.00 0.00 C ATOM 119 C MET A 10 56.776 13.264 -16.886 1.00 0.00 C ATOM 120 O MET A 10 56.069 14.271 -16.916 1.00 0.00 O ATOM 121 CB MET A 10 57.144 11.582 -15.087 1.00 0.00 C ATOM 122 CG MET A 10 56.547 10.356 -14.394 1.00 0.00 C ATOM 123 SD MET A 10 57.511 9.969 -12.907 1.00 0.00 S ATOM 124 CE MET A 10 58.204 8.389 -13.456 1.00 0.00 C ATOM 0 H MET A 10 57.224 10.739 -17.681 1.00 0.00 H new ATOM 0 HA MET A 10 55.244 12.108 -15.931 1.00 0.00 H new ATOM 0 HB2 MET A 10 58.158 11.365 -15.423 1.00 0.00 H new ATOM 0 HB3 MET A 10 57.212 12.413 -14.385 1.00 0.00 H new ATOM 0 HG2 MET A 10 55.508 10.547 -14.127 1.00 0.00 H new ATOM 0 HG3 MET A 10 56.550 9.504 -15.074 1.00 0.00 H new ATOM 0 HE1 MET A 10 58.839 7.978 -12.671 1.00 0.00 H new ATOM 0 HE2 MET A 10 57.394 7.691 -13.671 1.00 0.00 H new ATOM 0 HE3 MET A 10 58.797 8.545 -14.357 1.00 0.00 H new ATOM 134 N VAL A 11 58.023 13.230 -17.358 1.00 0.00 N ATOM 135 CA VAL A 11 58.645 14.410 -17.963 1.00 0.00 C ATOM 136 C VAL A 11 59.287 14.011 -19.293 1.00 0.00 C ATOM 137 O VAL A 11 59.788 12.895 -19.437 1.00 0.00 O ATOM 138 CB VAL A 11 59.729 15.010 -17.007 1.00 0.00 C ATOM 139 CG1 VAL A 11 59.604 16.548 -16.927 1.00 0.00 C ATOM 140 CG2 VAL A 11 59.605 14.407 -15.585 1.00 0.00 C ATOM 0 H VAL A 11 58.620 12.403 -17.334 1.00 0.00 H new ATOM 0 HA VAL A 11 57.881 15.169 -18.135 1.00 0.00 H new ATOM 0 HB VAL A 11 60.706 14.755 -17.417 1.00 0.00 H new ATOM 0 HG11 VAL A 11 60.368 16.941 -16.256 1.00 0.00 H new ATOM 0 HG12 VAL A 11 59.738 16.976 -17.920 1.00 0.00 H new ATOM 0 HG13 VAL A 11 58.617 16.814 -16.548 1.00 0.00 H new ATOM 0 HG21 VAL A 11 60.369 14.839 -14.939 1.00 0.00 H new ATOM 0 HG22 VAL A 11 58.618 14.630 -15.180 1.00 0.00 H new ATOM 0 HG23 VAL A 11 59.741 13.327 -15.635 1.00 0.00 H new ATOM 150 N LYS A 12 59.318 14.937 -20.244 1.00 0.00 N ATOM 151 CA LYS A 12 59.968 14.663 -21.523 1.00 0.00 C ATOM 152 C LYS A 12 61.483 14.789 -21.350 1.00 0.00 C ATOM 153 O LYS A 12 62.059 15.861 -21.541 1.00 0.00 O ATOM 154 CB LYS A 12 59.447 15.647 -22.601 1.00 0.00 C ATOM 155 CG LYS A 12 58.431 14.947 -23.521 1.00 0.00 C ATOM 156 CD LYS A 12 57.753 15.981 -24.480 1.00 0.00 C ATOM 157 CE LYS A 12 58.016 15.661 -25.977 1.00 0.00 C ATOM 158 NZ LYS A 12 59.115 16.535 -26.479 1.00 0.00 N1+ ATOM 0 H LYS A 12 58.909 15.868 -20.159 1.00 0.00 H new ATOM 0 HA LYS A 12 59.734 13.650 -21.851 1.00 0.00 H new ATOM 0 HB2 LYS A 12 58.980 16.508 -22.122 1.00 0.00 H new ATOM 0 HB3 LYS A 12 60.282 16.025 -23.191 1.00 0.00 H new ATOM 0 HG2 LYS A 12 58.933 14.175 -24.105 1.00 0.00 H new ATOM 0 HG3 LYS A 12 57.671 14.448 -22.920 1.00 0.00 H new ATOM 0 HD2 LYS A 12 56.679 15.992 -24.297 1.00 0.00 H new ATOM 0 HD3 LYS A 12 58.125 16.980 -24.254 1.00 0.00 H new ATOM 0 HE2 LYS A 12 58.287 14.612 -26.095 1.00 0.00 H new ATOM 0 HE3 LYS A 12 57.110 15.824 -26.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 59.295 16.325 -27.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 58.839 17.533 -26.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 59.979 16.358 -25.927 1.00 0.00 H new ATOM 172 N LEU A 13 62.115 13.668 -21.009 1.00 0.00 N ATOM 173 CA LEU A 13 63.563 13.617 -20.831 1.00 0.00 C ATOM 174 C LEU A 13 64.196 13.092 -22.108 1.00 0.00 C ATOM 175 O LEU A 13 64.332 11.880 -22.286 1.00 0.00 O ATOM 176 CB LEU A 13 63.913 12.669 -19.682 1.00 0.00 C ATOM 177 CG LEU A 13 63.195 13.109 -18.397 1.00 0.00 C ATOM 178 CD1 LEU A 13 63.414 12.046 -17.304 1.00 0.00 C ATOM 179 CD2 LEU A 13 63.728 14.490 -17.924 1.00 0.00 C ATOM 0 H LEU A 13 61.643 12.778 -20.850 1.00 0.00 H new ATOM 0 HA LEU A 13 63.935 14.616 -20.604 1.00 0.00 H new ATOM 0 HB2 LEU A 13 63.623 11.650 -19.939 1.00 0.00 H new ATOM 0 HB3 LEU A 13 64.991 12.662 -19.521 1.00 0.00 H new ATOM 0 HG LEU A 13 62.128 13.207 -18.596 1.00 0.00 H new ATOM 0 HD11 LEU A 13 62.906 12.354 -16.390 1.00 0.00 H new ATOM 0 HD12 LEU A 13 63.010 11.091 -17.639 1.00 0.00 H new ATOM 0 HD13 LEU A 13 64.481 11.940 -17.108 1.00 0.00 H new ATOM 0 HD21 LEU A 13 63.209 14.788 -17.013 1.00 0.00 H new ATOM 0 HD22 LEU A 13 64.798 14.419 -17.726 1.00 0.00 H new ATOM 0 HD23 LEU A 13 63.552 15.234 -18.701 1.00 0.00 H new ATOM 191 N VAL A 14 64.575 14.002 -23.006 1.00 0.00 N ATOM 192 CA VAL A 14 65.186 13.610 -24.279 1.00 0.00 C ATOM 193 C VAL A 14 66.476 14.402 -24.526 1.00 0.00 C ATOM 194 O VAL A 14 66.463 15.512 -25.057 1.00 0.00 O ATOM 195 CB VAL A 14 64.176 13.802 -25.430 1.00 0.00 C ATOM 196 CG1 VAL A 14 63.006 12.814 -25.263 1.00 0.00 C ATOM 197 CG2 VAL A 14 63.627 15.241 -25.420 1.00 0.00 C ATOM 0 H VAL A 14 64.471 15.009 -22.878 1.00 0.00 H new ATOM 0 HA VAL A 14 65.454 12.554 -24.235 1.00 0.00 H new ATOM 0 HB VAL A 14 64.684 13.617 -26.377 1.00 0.00 H new ATOM 0 HG11 VAL A 14 62.294 12.952 -26.077 1.00 0.00 H new ATOM 0 HG12 VAL A 14 63.387 11.793 -25.283 1.00 0.00 H new ATOM 0 HG13 VAL A 14 62.508 12.997 -24.311 1.00 0.00 H new ATOM 0 HG21 VAL A 14 62.915 15.365 -26.236 1.00 0.00 H new ATOM 0 HG22 VAL A 14 63.127 15.433 -24.471 1.00 0.00 H new ATOM 0 HG23 VAL A 14 64.450 15.945 -25.546 1.00 0.00 H new ATOM 207 N CYS A 15 67.597 13.791 -24.129 1.00 0.00 N ATOM 208 CA CYS A 15 68.921 14.395 -24.300 1.00 0.00 C ATOM 209 C CYS A 15 69.084 14.886 -25.737 1.00 0.00 C ATOM 210 O CYS A 15 68.371 14.431 -26.632 1.00 0.00 O ATOM 211 CB CYS A 15 70.014 13.358 -23.967 1.00 0.00 C ATOM 212 SG CYS A 15 69.461 11.704 -24.437 1.00 0.00 S ATOM 0 H CYS A 15 67.612 12.873 -23.685 1.00 0.00 H new ATOM 0 HA CYS A 15 69.019 15.244 -23.623 1.00 0.00 H new ATOM 0 HB2 CYS A 15 70.935 13.606 -24.495 1.00 0.00 H new ATOM 0 HB3 CYS A 15 70.240 13.385 -22.901 1.00 0.00 H new ATOM 217 N PRO A 16 69.999 15.792 -25.988 1.00 0.00 N ATOM 218 CA PRO A 16 70.232 16.322 -27.356 1.00 0.00 C ATOM 219 C PRO A 16 70.227 15.198 -28.392 1.00 0.00 C ATOM 220 O PRO A 16 70.551 14.053 -28.082 1.00 0.00 O ATOM 221 CB PRO A 16 71.624 16.999 -27.276 1.00 0.00 C ATOM 222 CG PRO A 16 72.117 16.791 -25.865 1.00 0.00 C ATOM 223 CD PRO A 16 70.899 16.436 -25.016 1.00 0.00 C ATOM 0 HA PRO A 16 69.451 17.015 -27.668 1.00 0.00 H new ATOM 0 HB2 PRO A 16 72.312 16.558 -27.997 1.00 0.00 H new ATOM 0 HB3 PRO A 16 71.554 18.061 -27.510 1.00 0.00 H new ATOM 0 HG2 PRO A 16 72.858 15.993 -25.829 1.00 0.00 H new ATOM 0 HG3 PRO A 16 72.601 17.692 -25.488 1.00 0.00 H new ATOM 0 HD2 PRO A 16 71.158 15.764 -24.198 1.00 0.00 H new ATOM 0 HD3 PRO A 16 70.445 17.321 -24.570 1.00 0.00 H new ATOM 231 N ALA A 17 69.841 15.540 -29.610 1.00 0.00 N ATOM 232 CA ALA A 17 69.781 14.563 -30.685 1.00 0.00 C ATOM 233 C ALA A 17 71.175 14.262 -31.224 1.00 0.00 C ATOM 234 O ALA A 17 71.511 13.100 -31.456 1.00 0.00 O ATOM 235 CB ALA A 17 68.884 15.095 -31.802 1.00 0.00 C ATOM 0 H ALA A 17 69.565 16.484 -29.879 1.00 0.00 H new ATOM 0 HA ALA A 17 69.365 13.634 -30.295 1.00 0.00 H new ATOM 0 HB1 ALA A 17 68.837 14.365 -32.610 1.00 0.00 H new ATOM 0 HB2 ALA A 17 67.881 15.269 -31.412 1.00 0.00 H new ATOM 0 HB3 ALA A 17 69.293 16.031 -32.183 1.00 0.00 H new ATOM 241 N ASP A 18 71.976 15.310 -31.444 1.00 0.00 N ATOM 242 CA ASP A 18 73.333 15.140 -31.985 1.00 0.00 C ATOM 243 C ASP A 18 74.401 15.522 -30.940 1.00 0.00 C ATOM 244 O ASP A 18 75.523 15.889 -31.292 1.00 0.00 O ATOM 245 CB ASP A 18 73.501 15.981 -33.285 1.00 0.00 C ATOM 246 CG ASP A 18 72.208 16.726 -33.620 1.00 0.00 C ATOM 247 OD1 ASP A 18 71.680 17.382 -32.738 1.00 0.00 O ATOM 248 OD2 ASP A 18 71.765 16.624 -34.753 1.00 0.00 O1- ATOM 0 H ASP A 18 71.713 16.278 -31.258 1.00 0.00 H new ATOM 0 HA ASP A 18 73.476 14.088 -32.230 1.00 0.00 H new ATOM 0 HB2 ASP A 18 74.315 16.695 -33.159 1.00 0.00 H new ATOM 0 HB3 ASP A 18 73.775 15.328 -34.113 1.00 0.00 H new ATOM 253 N ASN A 19 74.051 15.383 -29.660 1.00 0.00 N ATOM 254 CA ASN A 19 74.983 15.651 -28.551 1.00 0.00 C ATOM 255 C ASN A 19 75.736 16.982 -28.698 1.00 0.00 C ATOM 256 O ASN A 19 76.959 17.018 -28.585 1.00 0.00 O ATOM 257 CB ASN A 19 75.978 14.480 -28.399 1.00 0.00 C ATOM 258 CG ASN A 19 77.127 14.572 -29.405 1.00 0.00 C ATOM 259 OD1 ASN A 19 76.974 14.097 -30.611 1.00 0.00 O flip ATOM 260 ND2 ASN A 19 78.200 15.076 -29.075 1.00 0.00 N flip ATOM 0 H ASN A 19 73.123 15.084 -29.359 1.00 0.00 H new ATOM 0 HA ASN A 19 74.379 15.740 -27.648 1.00 0.00 H new ATOM 0 HB2 ASN A 19 76.382 14.476 -27.387 1.00 0.00 H new ATOM 0 HB3 ASN A 19 75.451 13.536 -28.536 1.00 0.00 H new ATOM 0 HD21 ASN A 19 78.321 15.448 -28.133 1.00 0.00 H new ATOM 0 HD22 ASN A 19 78.969 15.122 -29.744 1.00 0.00 H new ATOM 267 N LEU A 20 74.999 18.088 -28.907 1.00 0.00 N ATOM 268 CA LEU A 20 75.634 19.417 -29.023 1.00 0.00 C ATOM 269 C LEU A 20 75.182 20.357 -27.893 1.00 0.00 C ATOM 270 O LEU A 20 75.835 21.365 -27.628 1.00 0.00 O ATOM 271 CB LEU A 20 75.331 20.008 -30.410 1.00 0.00 C ATOM 272 CG LEU A 20 76.002 21.391 -30.611 1.00 0.00 C ATOM 273 CD1 LEU A 20 77.541 21.289 -30.527 1.00 0.00 C ATOM 274 CD2 LEU A 20 75.600 21.957 -32.000 1.00 0.00 C ATOM 0 H LEU A 20 73.983 18.092 -28.998 1.00 0.00 H new ATOM 0 HA LEU A 20 76.713 19.304 -28.919 1.00 0.00 H new ATOM 0 HB2 LEU A 20 75.679 19.321 -31.181 1.00 0.00 H new ATOM 0 HB3 LEU A 20 74.253 20.107 -30.534 1.00 0.00 H new ATOM 0 HG LEU A 20 75.661 22.055 -29.816 1.00 0.00 H new ATOM 0 HD11 LEU A 20 77.980 22.276 -30.672 1.00 0.00 H new ATOM 0 HD12 LEU A 20 77.827 20.905 -29.548 1.00 0.00 H new ATOM 0 HD13 LEU A 20 77.904 20.613 -31.302 1.00 0.00 H new ATOM 0 HD21 LEU A 20 76.069 22.930 -32.146 1.00 0.00 H new ATOM 0 HD22 LEU A 20 75.931 21.273 -32.781 1.00 0.00 H new ATOM 0 HD23 LEU A 20 74.517 22.066 -32.049 1.00 0.00 H new ATOM 286 N ARG A 21 74.114 19.987 -27.184 1.00 0.00 N ATOM 287 CA ARG A 21 73.648 20.787 -26.040 1.00 0.00 C ATOM 288 C ARG A 21 74.221 20.232 -24.741 1.00 0.00 C ATOM 289 O ARG A 21 73.949 20.750 -23.659 1.00 0.00 O ATOM 290 CB ARG A 21 72.111 20.817 -25.980 1.00 0.00 C ATOM 291 CG ARG A 21 71.565 21.605 -27.185 1.00 0.00 C ATOM 292 CD ARG A 21 71.537 23.111 -26.873 1.00 0.00 C ATOM 293 NE ARG A 21 71.555 23.873 -28.112 1.00 0.00 N ATOM 294 CZ ARG A 21 72.653 23.922 -28.857 1.00 0.00 C ATOM 295 NH1 ARG A 21 73.709 23.248 -28.494 1.00 0.00 N ATOM 296 NH2 ARG A 21 72.677 24.632 -29.952 1.00 0.00 N1+ ATOM 0 H ARG A 21 73.560 19.152 -27.374 1.00 0.00 H new ATOM 0 HA ARG A 21 74.001 21.810 -26.171 1.00 0.00 H new ATOM 0 HB2 ARG A 21 71.716 19.801 -25.987 1.00 0.00 H new ATOM 0 HB3 ARG A 21 71.782 21.280 -25.050 1.00 0.00 H new ATOM 0 HG2 ARG A 21 72.187 21.420 -28.061 1.00 0.00 H new ATOM 0 HG3 ARG A 21 70.561 21.259 -27.429 1.00 0.00 H new ATOM 0 HD2 ARG A 21 70.644 23.356 -26.298 1.00 0.00 H new ATOM 0 HD3 ARG A 21 72.396 23.380 -26.258 1.00 0.00 H new ATOM 0 HE ARG A 21 70.718 24.373 -28.411 1.00 0.00 H new ATOM 0 HH11 ARG A 21 73.688 22.687 -27.642 1.00 0.00 H new ATOM 0 HH12 ARG A 21 74.556 23.281 -29.062 1.00 0.00 H new ATOM 0 HH21 ARG A 21 71.849 25.154 -30.240 1.00 0.00 H new ATOM 0 HH22 ARG A 21 73.524 24.665 -30.520 1.00 0.00 H new ATOM 310 N ALA A 22 75.053 19.204 -24.870 1.00 0.00 N ATOM 311 CA ALA A 22 75.706 18.618 -23.706 1.00 0.00 C ATOM 312 C ALA A 22 76.897 17.763 -24.130 1.00 0.00 C ATOM 313 O ALA A 22 76.937 17.248 -25.249 1.00 0.00 O ATOM 314 CB ALA A 22 74.704 17.775 -22.906 1.00 0.00 C ATOM 0 H ALA A 22 75.289 18.763 -25.759 1.00 0.00 H new ATOM 0 HA ALA A 22 76.072 19.426 -23.072 1.00 0.00 H new ATOM 0 HB1 ALA A 22 75.203 17.342 -22.039 1.00 0.00 H new ATOM 0 HB2 ALA A 22 73.881 18.407 -22.573 1.00 0.00 H new ATOM 0 HB3 ALA A 22 74.315 16.976 -23.537 1.00 0.00 H new ATOM 320 N GLU A 23 77.866 17.617 -23.235 1.00 0.00 N ATOM 321 CA GLU A 23 79.056 16.824 -23.536 1.00 0.00 C ATOM 322 C GLU A 23 79.718 16.315 -22.260 1.00 0.00 C ATOM 323 O GLU A 23 80.943 16.274 -22.165 1.00 0.00 O ATOM 324 CB GLU A 23 80.062 17.668 -24.337 1.00 0.00 C ATOM 325 CG GLU A 23 80.496 18.969 -23.581 1.00 0.00 C ATOM 326 CD GLU A 23 79.762 19.161 -22.247 1.00 0.00 C ATOM 327 OE1 GLU A 23 78.680 19.724 -22.266 1.00 0.00 O1- ATOM 328 OE2 GLU A 23 80.296 18.738 -21.236 1.00 0.00 O ATOM 0 H GLU A 23 77.855 18.032 -22.303 1.00 0.00 H new ATOM 0 HA GLU A 23 78.745 15.964 -24.129 1.00 0.00 H new ATOM 0 HB2 GLU A 23 80.945 17.066 -24.552 1.00 0.00 H new ATOM 0 HB3 GLU A 23 79.620 17.940 -25.296 1.00 0.00 H new ATOM 0 HG2 GLU A 23 81.570 18.934 -23.397 1.00 0.00 H new ATOM 0 HG3 GLU A 23 80.310 19.833 -24.219 1.00 0.00 H new ATOM 335 N GLY A 24 78.902 15.946 -21.271 1.00 0.00 N ATOM 336 CA GLY A 24 79.426 15.462 -19.990 1.00 0.00 C ATOM 337 C GLY A 24 78.796 14.135 -19.587 1.00 0.00 C ATOM 338 O GLY A 24 79.417 13.337 -18.885 1.00 0.00 O ATOM 0 H GLY A 24 77.884 15.972 -21.330 1.00 0.00 H new ATOM 0 HA2 GLY A 24 80.507 15.345 -20.061 1.00 0.00 H new ATOM 0 HA3 GLY A 24 79.236 16.205 -19.215 1.00 0.00 H new ATOM 342 N LEU A 25 77.556 13.905 -20.008 1.00 0.00 N ATOM 343 CA LEU A 25 76.867 12.671 -19.644 1.00 0.00 C ATOM 344 C LEU A 25 77.359 11.513 -20.509 1.00 0.00 C ATOM 345 O LEU A 25 77.087 11.469 -21.709 1.00 0.00 O ATOM 346 CB LEU A 25 75.337 12.823 -19.818 1.00 0.00 C ATOM 347 CG LEU A 25 74.882 14.282 -19.516 1.00 0.00 C ATOM 348 CD1 LEU A 25 74.694 15.079 -20.822 1.00 0.00 C ATOM 349 CD2 LEU A 25 73.546 14.266 -18.758 1.00 0.00 C ATOM 0 H LEU A 25 77.015 14.544 -20.591 1.00 0.00 H new ATOM 0 HA LEU A 25 77.086 12.462 -18.597 1.00 0.00 H new ATOM 0 HB2 LEU A 25 75.055 12.554 -20.836 1.00 0.00 H new ATOM 0 HB3 LEU A 25 74.821 12.132 -19.151 1.00 0.00 H new ATOM 0 HG LEU A 25 75.655 14.757 -18.911 1.00 0.00 H new ATOM 0 HD11 LEU A 25 74.376 16.095 -20.586 1.00 0.00 H new ATOM 0 HD12 LEU A 25 75.637 15.111 -21.367 1.00 0.00 H new ATOM 0 HD13 LEU A 25 73.935 14.595 -21.437 1.00 0.00 H new ATOM 0 HD21 LEU A 25 73.233 15.289 -18.550 1.00 0.00 H new ATOM 0 HD22 LEU A 25 72.788 13.772 -19.366 1.00 0.00 H new ATOM 0 HD23 LEU A 25 73.667 13.726 -17.819 1.00 0.00 H new ATOM 361 N GLU A 26 78.067 10.562 -19.893 1.00 0.00 N ATOM 362 CA GLU A 26 78.571 9.391 -20.615 1.00 0.00 C ATOM 363 C GLU A 26 78.107 8.110 -19.926 1.00 0.00 C ATOM 364 O GLU A 26 78.573 7.774 -18.840 1.00 0.00 O ATOM 365 CB GLU A 26 80.109 9.424 -20.675 1.00 0.00 C ATOM 366 CG GLU A 26 80.708 9.812 -19.293 1.00 0.00 C ATOM 367 CD GLU A 26 81.182 11.274 -19.269 1.00 0.00 C ATOM 368 OE1 GLU A 26 80.869 12.004 -20.195 1.00 0.00 O ATOM 369 OE2 GLU A 26 81.850 11.640 -18.314 1.00 0.00 O1- ATOM 0 H GLU A 26 78.303 10.580 -18.901 1.00 0.00 H new ATOM 0 HA GLU A 26 78.177 9.412 -21.631 1.00 0.00 H new ATOM 0 HB2 GLU A 26 80.487 8.448 -20.979 1.00 0.00 H new ATOM 0 HB3 GLU A 26 80.433 10.140 -21.431 1.00 0.00 H new ATOM 0 HG2 GLU A 26 79.959 9.660 -18.516 1.00 0.00 H new ATOM 0 HG3 GLU A 26 81.546 9.154 -19.062 1.00 0.00 H new ATOM 376 N CYS A 27 77.181 7.400 -20.572 1.00 0.00 N ATOM 377 CA CYS A 27 76.652 6.152 -20.024 1.00 0.00 C ATOM 378 C CYS A 27 75.977 6.391 -18.676 1.00 0.00 C ATOM 379 O CYS A 27 76.481 7.147 -17.845 1.00 0.00 O ATOM 380 CB CYS A 27 77.785 5.133 -19.852 1.00 0.00 C ATOM 381 SG CYS A 27 78.690 4.961 -21.410 1.00 0.00 S ATOM 0 H CYS A 27 76.783 7.667 -21.472 1.00 0.00 H new ATOM 0 HA CYS A 27 75.911 5.763 -20.722 1.00 0.00 H new ATOM 0 HB2 CYS A 27 78.461 5.456 -19.061 1.00 0.00 H new ATOM 0 HB3 CYS A 27 77.377 4.169 -19.548 1.00 0.00 H new ATOM 386 N THR A 28 74.856 5.709 -18.447 1.00 0.00 N ATOM 387 CA THR A 28 74.148 5.825 -17.175 1.00 0.00 C ATOM 388 C THR A 28 75.126 5.489 -16.054 1.00 0.00 C ATOM 389 O THR A 28 76.190 4.929 -16.320 1.00 0.00 O ATOM 390 CB THR A 28 72.951 4.845 -17.166 1.00 0.00 C ATOM 391 OG1 THR A 28 72.468 4.693 -18.493 1.00 0.00 O ATOM 392 CG2 THR A 28 71.805 5.353 -16.271 1.00 0.00 C ATOM 0 H THR A 28 74.422 5.076 -19.119 1.00 0.00 H new ATOM 0 HA THR A 28 73.766 6.836 -17.034 1.00 0.00 H new ATOM 0 HB THR A 28 73.297 3.892 -16.766 1.00 0.00 H new ATOM 0 HG1 THR A 28 71.710 4.072 -18.496 1.00 0.00 H new ATOM 0 HG21 THR A 28 70.983 4.637 -16.291 1.00 0.00 H new ATOM 0 HG22 THR A 28 72.164 5.464 -15.248 1.00 0.00 H new ATOM 0 HG23 THR A 28 71.455 6.317 -16.640 1.00 0.00 H new ATOM 400 N LYS A 29 74.793 5.819 -14.805 1.00 0.00 N ATOM 401 CA LYS A 29 75.695 5.530 -13.689 1.00 0.00 C ATOM 402 C LYS A 29 75.238 4.279 -12.941 1.00 0.00 C ATOM 403 O LYS A 29 74.054 4.099 -12.659 1.00 0.00 O ATOM 404 CB LYS A 29 75.713 6.721 -12.695 1.00 0.00 C ATOM 405 CG LYS A 29 76.803 7.754 -13.050 1.00 0.00 C ATOM 406 CD LYS A 29 76.419 8.574 -14.294 1.00 0.00 C ATOM 407 CE LYS A 29 75.307 9.595 -13.982 1.00 0.00 C ATOM 408 NZ LYS A 29 75.572 10.288 -12.685 1.00 0.00 N1+ ATOM 0 H LYS A 29 73.921 6.279 -14.543 1.00 0.00 H new ATOM 0 HA LYS A 29 76.693 5.369 -14.095 1.00 0.00 H new ATOM 0 HB2 LYS A 29 74.738 7.208 -12.695 1.00 0.00 H new ATOM 0 HB3 LYS A 29 75.882 6.348 -11.685 1.00 0.00 H new ATOM 0 HG2 LYS A 29 76.959 8.425 -12.205 1.00 0.00 H new ATOM 0 HG3 LYS A 29 77.748 7.241 -13.229 1.00 0.00 H new ATOM 0 HD2 LYS A 29 77.298 9.097 -14.671 1.00 0.00 H new ATOM 0 HD3 LYS A 29 76.085 7.902 -15.084 1.00 0.00 H new ATOM 0 HE2 LYS A 29 75.245 10.329 -14.786 1.00 0.00 H new ATOM 0 HE3 LYS A 29 74.343 9.088 -13.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 75.074 11.201 -12.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 75.233 9.696 -11.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 76.594 10.450 -12.580 1.00 0.00 H new ATOM 422 N THR A 30 76.196 3.428 -12.614 1.00 0.00 N ATOM 423 CA THR A 30 75.922 2.225 -11.838 1.00 0.00 C ATOM 424 C THR A 30 77.183 1.843 -11.066 1.00 0.00 C ATOM 425 O THR A 30 78.289 2.116 -11.524 1.00 0.00 O ATOM 426 CB THR A 30 75.488 1.077 -12.755 1.00 0.00 C ATOM 427 OG1 THR A 30 75.469 -0.131 -12.010 1.00 0.00 O ATOM 428 CG2 THR A 30 76.452 0.941 -13.945 1.00 0.00 C ATOM 0 H THR A 30 77.175 3.547 -12.874 1.00 0.00 H new ATOM 0 HA THR A 30 75.107 2.419 -11.140 1.00 0.00 H new ATOM 0 HB THR A 30 74.492 1.288 -13.143 1.00 0.00 H new ATOM 0 HG1 THR A 30 75.190 -0.869 -12.591 1.00 0.00 H new ATOM 0 HG21 THR A 30 76.127 0.120 -14.585 1.00 0.00 H new ATOM 0 HG22 THR A 30 76.456 1.868 -14.518 1.00 0.00 H new ATOM 0 HG23 THR A 30 77.458 0.738 -13.577 1.00 0.00 H new ATOM 436 N CYS A 31 77.018 1.261 -9.882 1.00 0.00 N ATOM 437 CA CYS A 31 78.171 0.909 -9.053 1.00 0.00 C ATOM 438 C CYS A 31 78.873 -0.339 -9.586 1.00 0.00 C ATOM 439 O CYS A 31 80.026 -0.593 -9.231 1.00 0.00 O ATOM 440 CB CYS A 31 77.716 0.722 -7.584 1.00 0.00 C ATOM 441 SG CYS A 31 77.387 -1.025 -7.214 1.00 0.00 S ATOM 0 H CYS A 31 76.112 1.025 -9.477 1.00 0.00 H new ATOM 0 HA CYS A 31 78.897 1.722 -9.091 1.00 0.00 H new ATOM 0 HB2 CYS A 31 78.486 1.100 -6.911 1.00 0.00 H new ATOM 0 HB3 CYS A 31 76.817 1.310 -7.402 1.00 0.00 H new ATOM 446 N GLN A 32 78.187 -1.150 -10.383 1.00 0.00 N ATOM 447 CA GLN A 32 78.799 -2.388 -10.857 1.00 0.00 C ATOM 448 C GLN A 32 79.889 -2.110 -11.894 1.00 0.00 C ATOM 449 O GLN A 32 81.033 -2.536 -11.739 1.00 0.00 O ATOM 450 CB GLN A 32 77.695 -3.303 -11.455 1.00 0.00 C ATOM 451 CG GLN A 32 78.230 -4.266 -12.548 1.00 0.00 C ATOM 452 CD GLN A 32 77.052 -4.916 -13.270 1.00 0.00 C ATOM 453 OE1 GLN A 32 75.850 -4.813 -12.769 1.00 0.00 O flip ATOM 454 NE2 GLN A 32 77.229 -5.523 -14.327 1.00 0.00 N flip ATOM 0 H GLN A 32 77.235 -0.982 -10.708 1.00 0.00 H new ATOM 0 HA GLN A 32 79.275 -2.891 -10.015 1.00 0.00 H new ATOM 0 HB2 GLN A 32 77.242 -3.887 -10.654 1.00 0.00 H new ATOM 0 HB3 GLN A 32 76.907 -2.681 -11.881 1.00 0.00 H new ATOM 0 HG2 GLN A 32 78.850 -3.719 -13.259 1.00 0.00 H new ATOM 0 HG3 GLN A 32 78.862 -5.031 -12.097 1.00 0.00 H new ATOM 0 HE21 GLN A 32 78.168 -5.603 -14.718 1.00 0.00 H new ATOM 0 HE22 GLN A 32 76.437 -5.945 -14.811 1.00 0.00 H new ATOM 463 N ASN A 33 79.487 -1.473 -12.998 1.00 0.00 N ATOM 464 CA ASN A 33 80.396 -1.235 -14.125 1.00 0.00 C ATOM 465 C ASN A 33 80.890 0.217 -14.172 1.00 0.00 C ATOM 466 O ASN A 33 81.421 0.659 -15.193 1.00 0.00 O ATOM 467 CB ASN A 33 79.683 -1.577 -15.444 1.00 0.00 C ATOM 468 CG ASN A 33 79.610 -3.094 -15.634 1.00 0.00 C ATOM 469 OD1 ASN A 33 80.385 -3.833 -15.026 1.00 0.00 O ATOM 470 ND2 ASN A 33 78.723 -3.603 -16.442 1.00 0.00 N ATOM 0 H ASN A 33 78.542 -1.114 -13.136 1.00 0.00 H new ATOM 0 HA ASN A 33 81.266 -1.877 -13.988 1.00 0.00 H new ATOM 0 HB2 ASN A 33 78.678 -1.156 -15.441 1.00 0.00 H new ATOM 0 HB3 ASN A 33 80.216 -1.125 -16.281 1.00 0.00 H new ATOM 0 HD21 ASN A 33 78.671 -4.613 -16.571 1.00 0.00 H new ATOM 0 HD22 ASN A 33 78.081 -2.991 -16.946 1.00 0.00 H new ATOM 477 N TYR A 34 80.656 0.970 -13.094 1.00 0.00 N ATOM 478 CA TYR A 34 81.022 2.394 -13.036 1.00 0.00 C ATOM 479 C TYR A 34 82.264 2.719 -13.867 1.00 0.00 C ATOM 480 O TYR A 34 82.246 3.649 -14.676 1.00 0.00 O ATOM 481 CB TYR A 34 81.287 2.798 -11.581 1.00 0.00 C ATOM 482 CG TYR A 34 81.279 4.304 -11.448 1.00 0.00 C ATOM 483 CD1 TYR A 34 82.452 5.040 -11.664 1.00 0.00 C ATOM 484 CD2 TYR A 34 80.097 4.963 -11.090 1.00 0.00 C ATOM 485 CE1 TYR A 34 82.440 6.434 -11.523 1.00 0.00 C ATOM 486 CE2 TYR A 34 80.085 6.356 -10.951 1.00 0.00 C ATOM 487 CZ TYR A 34 81.256 7.091 -11.167 1.00 0.00 C ATOM 488 OH TYR A 34 81.244 8.464 -11.026 1.00 0.00 O ATOM 0 H TYR A 34 80.213 0.619 -12.245 1.00 0.00 H new ATOM 0 HA TYR A 34 80.184 2.953 -13.453 1.00 0.00 H new ATOM 0 HB2 TYR A 34 80.527 2.364 -10.931 1.00 0.00 H new ATOM 0 HB3 TYR A 34 82.249 2.402 -11.255 1.00 0.00 H new ATOM 0 HD1 TYR A 34 83.365 4.533 -11.939 1.00 0.00 H new ATOM 0 HD2 TYR A 34 79.193 4.396 -10.921 1.00 0.00 H new ATOM 0 HE1 TYR A 34 83.344 7.002 -11.689 1.00 0.00 H new ATOM 0 HE2 TYR A 34 79.172 6.863 -10.677 1.00 0.00 H new ATOM 0 HH TYR A 34 80.343 8.759 -10.777 1.00 0.00 H new ATOM 498 N ASP A 35 83.354 1.985 -13.641 1.00 0.00 N ATOM 499 CA ASP A 35 84.616 2.241 -14.345 1.00 0.00 C ATOM 500 C ASP A 35 84.903 1.140 -15.367 1.00 0.00 C ATOM 501 O ASP A 35 86.059 0.753 -15.545 1.00 0.00 O ATOM 502 CB ASP A 35 85.767 2.311 -13.313 1.00 0.00 C ATOM 503 CG ASP A 35 86.833 3.321 -13.743 1.00 0.00 C ATOM 504 OD1 ASP A 35 87.046 3.461 -14.935 1.00 0.00 O1- ATOM 505 OD2 ASP A 35 87.415 3.942 -12.868 1.00 0.00 O ATOM 0 H ASP A 35 83.391 1.210 -12.979 1.00 0.00 H new ATOM 0 HA ASP A 35 84.536 3.188 -14.879 1.00 0.00 H new ATOM 0 HB2 ASP A 35 85.369 2.591 -12.338 1.00 0.00 H new ATOM 0 HB3 ASP A 35 86.219 1.326 -13.201 1.00 0.00 H new ATOM 510 N LEU A 36 83.864 0.642 -16.054 1.00 0.00 N ATOM 511 CA LEU A 36 84.054 -0.407 -17.066 1.00 0.00 C ATOM 512 C LEU A 36 83.894 0.197 -18.467 1.00 0.00 C ATOM 513 O LEU A 36 83.114 1.130 -18.665 1.00 0.00 O ATOM 514 CB LEU A 36 83.047 -1.568 -16.831 1.00 0.00 C ATOM 515 CG LEU A 36 83.733 -2.962 -16.835 1.00 0.00 C ATOM 516 CD1 LEU A 36 84.466 -3.222 -18.159 1.00 0.00 C ATOM 517 CD2 LEU A 36 84.717 -3.092 -15.658 1.00 0.00 C ATOM 0 H LEU A 36 82.897 0.943 -15.930 1.00 0.00 H new ATOM 0 HA LEU A 36 85.060 -0.819 -16.982 1.00 0.00 H new ATOM 0 HB2 LEU A 36 82.541 -1.418 -15.877 1.00 0.00 H new ATOM 0 HB3 LEU A 36 82.280 -1.542 -17.605 1.00 0.00 H new ATOM 0 HG LEU A 36 82.948 -3.710 -16.724 1.00 0.00 H new ATOM 0 HD11 LEU A 36 84.935 -4.206 -18.128 1.00 0.00 H new ATOM 0 HD12 LEU A 36 83.753 -3.185 -18.983 1.00 0.00 H new ATOM 0 HD13 LEU A 36 85.231 -2.460 -18.307 1.00 0.00 H new ATOM 0 HD21 LEU A 36 85.185 -4.076 -15.682 1.00 0.00 H new ATOM 0 HD22 LEU A 36 85.485 -2.323 -15.739 1.00 0.00 H new ATOM 0 HD23 LEU A 36 84.179 -2.969 -14.718 1.00 0.00 H new ATOM 529 N GLU A 37 84.678 -0.298 -19.415 1.00 0.00 N ATOM 530 CA GLU A 37 84.666 0.237 -20.777 1.00 0.00 C ATOM 531 C GLU A 37 83.242 0.514 -21.255 1.00 0.00 C ATOM 532 O GLU A 37 82.336 -0.294 -21.049 1.00 0.00 O ATOM 533 CB GLU A 37 85.356 -0.764 -21.713 1.00 0.00 C ATOM 534 CG GLU A 37 85.625 -0.126 -23.086 1.00 0.00 C ATOM 535 CD GLU A 37 86.713 -0.909 -23.818 1.00 0.00 C ATOM 536 OE1 GLU A 37 86.616 -2.125 -23.861 1.00 0.00 O ATOM 537 OE2 GLU A 37 87.634 -0.281 -24.312 1.00 0.00 O1- ATOM 0 H GLU A 37 85.331 -1.068 -19.270 1.00 0.00 H new ATOM 0 HA GLU A 37 85.204 1.185 -20.786 1.00 0.00 H new ATOM 0 HB2 GLU A 37 86.295 -1.096 -21.270 1.00 0.00 H new ATOM 0 HB3 GLU A 37 84.730 -1.648 -21.833 1.00 0.00 H new ATOM 0 HG2 GLU A 37 84.710 -0.117 -23.678 1.00 0.00 H new ATOM 0 HG3 GLU A 37 85.933 0.912 -22.960 1.00 0.00 H new ATOM 544 N CYS A 38 83.054 1.671 -21.897 1.00 0.00 N ATOM 545 CA CYS A 38 81.740 2.068 -22.413 1.00 0.00 C ATOM 546 C CYS A 38 81.853 2.460 -23.888 1.00 0.00 C ATOM 547 O CYS A 38 82.783 3.163 -24.281 1.00 0.00 O ATOM 548 CB CYS A 38 81.188 3.248 -21.583 1.00 0.00 C ATOM 549 SG CYS A 38 79.396 3.067 -21.371 1.00 0.00 S ATOM 0 H CYS A 38 83.795 2.349 -22.072 1.00 0.00 H new ATOM 0 HA CYS A 38 81.052 1.227 -22.329 1.00 0.00 H new ATOM 0 HB2 CYS A 38 81.677 3.280 -20.609 1.00 0.00 H new ATOM 0 HB3 CYS A 38 81.411 4.191 -22.082 1.00 0.00 H new ATOM 554 N MET A 39 80.900 2.004 -24.698 1.00 0.00 N ATOM 555 CA MET A 39 80.898 2.320 -26.125 1.00 0.00 C ATOM 556 C MET A 39 80.079 3.578 -26.382 1.00 0.00 C ATOM 557 O MET A 39 80.570 4.696 -26.225 1.00 0.00 O ATOM 558 CB MET A 39 80.310 1.143 -26.913 1.00 0.00 C ATOM 559 CG MET A 39 81.352 0.024 -27.033 1.00 0.00 C ATOM 560 SD MET A 39 82.491 0.412 -28.388 1.00 0.00 S ATOM 561 CE MET A 39 82.899 -1.286 -28.872 1.00 0.00 C ATOM 0 H MET A 39 80.123 1.418 -24.393 1.00 0.00 H new ATOM 0 HA MET A 39 81.923 2.496 -26.452 1.00 0.00 H new ATOM 0 HB2 MET A 39 79.417 0.768 -26.412 1.00 0.00 H new ATOM 0 HB3 MET A 39 80.004 1.475 -27.905 1.00 0.00 H new ATOM 0 HG2 MET A 39 81.902 -0.078 -26.098 1.00 0.00 H new ATOM 0 HG3 MET A 39 80.859 -0.930 -27.219 1.00 0.00 H new ATOM 0 HE1 MET A 39 83.600 -1.268 -29.706 1.00 0.00 H new ATOM 0 HE2 MET A 39 83.352 -1.806 -28.028 1.00 0.00 H new ATOM 0 HE3 MET A 39 81.990 -1.807 -29.173 1.00 0.00 H new ATOM 571 N SER A 40 78.823 3.386 -26.774 1.00 0.00 N ATOM 572 CA SER A 40 77.931 4.504 -27.046 1.00 0.00 C ATOM 573 C SER A 40 76.481 4.054 -26.881 1.00 0.00 C ATOM 574 O SER A 40 76.100 2.992 -27.372 1.00 0.00 O ATOM 575 CB SER A 40 78.159 5.015 -28.473 1.00 0.00 C ATOM 576 OG SER A 40 79.547 4.958 -28.774 1.00 0.00 O ATOM 0 H SER A 40 78.402 2.467 -26.910 1.00 0.00 H new ATOM 0 HA SER A 40 78.139 5.310 -26.343 1.00 0.00 H new ATOM 0 HB2 SER A 40 77.596 4.410 -29.183 1.00 0.00 H new ATOM 0 HB3 SER A 40 77.796 6.038 -28.568 1.00 0.00 H new ATOM 0 HG SER A 40 79.697 5.282 -29.686 1.00 0.00 H new ATOM 582 N MET A 41 75.671 4.870 -26.204 1.00 0.00 N ATOM 583 CA MET A 41 74.255 4.543 -25.997 1.00 0.00 C ATOM 584 C MET A 41 73.382 5.688 -26.512 1.00 0.00 C ATOM 585 O MET A 41 73.446 6.812 -26.016 1.00 0.00 O ATOM 586 CB MET A 41 73.999 4.288 -24.499 1.00 0.00 C ATOM 587 CG MET A 41 72.738 3.427 -24.288 1.00 0.00 C ATOM 588 SD MET A 41 72.830 2.598 -22.677 1.00 0.00 S ATOM 589 CE MET A 41 73.183 4.055 -21.663 1.00 0.00 C ATOM 0 H MET A 41 75.966 5.755 -25.792 1.00 0.00 H new ATOM 0 HA MET A 41 74.000 3.640 -26.551 1.00 0.00 H new ATOM 0 HB2 MET A 41 74.862 3.788 -24.060 1.00 0.00 H new ATOM 0 HB3 MET A 41 73.884 5.239 -23.980 1.00 0.00 H new ATOM 0 HG2 MET A 41 71.846 4.052 -24.336 1.00 0.00 H new ATOM 0 HG3 MET A 41 72.653 2.688 -25.084 1.00 0.00 H new ATOM 0 HE1 MET A 41 73.138 3.784 -20.608 1.00 0.00 H new ATOM 0 HE2 MET A 41 74.179 4.430 -21.899 1.00 0.00 H new ATOM 0 HE3 MET A 41 72.445 4.830 -21.870 1.00 0.00 H new ATOM 599 N GLY A 42 72.585 5.380 -27.529 1.00 0.00 N ATOM 600 CA GLY A 42 71.717 6.382 -28.141 1.00 0.00 C ATOM 601 C GLY A 42 70.778 6.993 -27.109 1.00 0.00 C ATOM 602 O GLY A 42 70.527 6.404 -26.058 1.00 0.00 O ATOM 0 H GLY A 42 72.521 4.451 -27.946 1.00 0.00 H new ATOM 0 HA2 GLY A 42 72.324 7.165 -28.595 1.00 0.00 H new ATOM 0 HA3 GLY A 42 71.136 5.925 -28.942 1.00 0.00 H new ATOM 606 N CYS A 43 70.268 8.181 -27.412 1.00 0.00 N ATOM 607 CA CYS A 43 69.364 8.866 -26.497 1.00 0.00 C ATOM 608 C CYS A 43 68.091 8.051 -26.292 1.00 0.00 C ATOM 609 O CYS A 43 67.381 7.735 -27.244 1.00 0.00 O ATOM 610 CB CYS A 43 69.031 10.268 -27.044 1.00 0.00 C ATOM 611 SG CYS A 43 70.168 11.473 -26.315 1.00 0.00 S ATOM 0 H CYS A 43 70.463 8.686 -28.276 1.00 0.00 H new ATOM 0 HA CYS A 43 69.855 8.974 -25.530 1.00 0.00 H new ATOM 0 HB2 CYS A 43 69.118 10.278 -28.130 1.00 0.00 H new ATOM 0 HB3 CYS A 43 68.001 10.530 -26.804 1.00 0.00 H new ATOM 616 N VAL A 44 67.823 7.704 -25.032 1.00 0.00 N ATOM 617 CA VAL A 44 66.643 6.915 -24.677 1.00 0.00 C ATOM 618 C VAL A 44 65.869 7.606 -23.562 1.00 0.00 C ATOM 619 O VAL A 44 66.439 8.011 -22.550 1.00 0.00 O ATOM 620 CB VAL A 44 67.080 5.526 -24.207 1.00 0.00 C ATOM 621 CG1 VAL A 44 67.527 4.697 -25.417 1.00 0.00 C ATOM 622 CG2 VAL A 44 68.248 5.660 -23.221 1.00 0.00 C ATOM 0 H VAL A 44 68.410 7.958 -24.238 1.00 0.00 H new ATOM 0 HA VAL A 44 66.001 6.821 -25.553 1.00 0.00 H new ATOM 0 HB VAL A 44 66.244 5.031 -23.713 1.00 0.00 H new ATOM 0 HG11 VAL A 44 67.839 3.707 -25.085 1.00 0.00 H new ATOM 0 HG12 VAL A 44 66.698 4.600 -26.118 1.00 0.00 H new ATOM 0 HG13 VAL A 44 68.363 5.194 -25.910 1.00 0.00 H new ATOM 0 HG21 VAL A 44 68.558 4.670 -22.887 1.00 0.00 H new ATOM 0 HG22 VAL A 44 69.085 6.155 -23.713 1.00 0.00 H new ATOM 0 HG23 VAL A 44 67.932 6.250 -22.361 1.00 0.00 H new ATOM 632 N SER A 45 64.556 7.721 -23.738 1.00 0.00 N ATOM 633 CA SER A 45 63.714 8.333 -22.717 1.00 0.00 C ATOM 634 C SER A 45 63.285 7.278 -21.706 1.00 0.00 C ATOM 635 O SER A 45 62.828 6.197 -22.081 1.00 0.00 O ATOM 636 CB SER A 45 62.473 8.954 -23.355 1.00 0.00 C ATOM 637 OG SER A 45 61.497 9.183 -22.347 1.00 0.00 O ATOM 0 H SER A 45 64.057 7.402 -24.568 1.00 0.00 H new ATOM 0 HA SER A 45 64.285 9.114 -22.215 1.00 0.00 H new ATOM 0 HB2 SER A 45 62.732 9.891 -23.847 1.00 0.00 H new ATOM 0 HB3 SER A 45 62.073 8.291 -24.122 1.00 0.00 H new ATOM 0 HG SER A 45 60.698 9.583 -22.750 1.00 0.00 H new ATOM 643 N GLY A 46 63.454 7.582 -20.425 1.00 0.00 N ATOM 644 CA GLY A 46 63.099 6.632 -19.380 1.00 0.00 C ATOM 645 C GLY A 46 63.171 7.280 -17.999 1.00 0.00 C ATOM 646 O GLY A 46 63.339 8.491 -17.876 1.00 0.00 O ATOM 0 H GLY A 46 63.830 8.468 -20.088 1.00 0.00 H new ATOM 0 HA2 GLY A 46 62.092 6.254 -19.555 1.00 0.00 H new ATOM 0 HA3 GLY A 46 63.772 5.776 -19.419 1.00 0.00 H new ATOM 650 N CYS A 47 63.021 6.455 -16.962 1.00 0.00 N ATOM 651 CA CYS A 47 63.049 6.930 -15.581 1.00 0.00 C ATOM 652 C CYS A 47 64.418 6.659 -14.969 1.00 0.00 C ATOM 653 O CYS A 47 64.896 5.524 -14.967 1.00 0.00 O ATOM 654 CB CYS A 47 61.968 6.205 -14.766 1.00 0.00 C ATOM 655 SG CYS A 47 61.910 4.469 -15.277 1.00 0.00 S ATOM 0 H CYS A 47 62.878 5.449 -17.055 1.00 0.00 H new ATOM 0 HA CYS A 47 62.856 8.003 -15.567 1.00 0.00 H new ATOM 0 HB2 CYS A 47 62.188 6.277 -13.701 1.00 0.00 H new ATOM 0 HB3 CYS A 47 60.998 6.677 -14.924 1.00 0.00 H new ATOM 660 N LEU A 48 65.040 7.706 -14.445 1.00 0.00 N ATOM 661 CA LEU A 48 66.350 7.582 -13.821 1.00 0.00 C ATOM 662 C LEU A 48 66.507 8.672 -12.765 1.00 0.00 C ATOM 663 O LEU A 48 66.327 9.856 -13.051 1.00 0.00 O ATOM 664 CB LEU A 48 67.444 7.681 -14.896 1.00 0.00 C ATOM 665 CG LEU A 48 67.360 9.051 -15.641 1.00 0.00 C ATOM 666 CD1 LEU A 48 68.513 9.996 -15.217 1.00 0.00 C ATOM 667 CD2 LEU A 48 67.422 8.816 -17.164 1.00 0.00 C ATOM 0 H LEU A 48 64.658 8.652 -14.440 1.00 0.00 H new ATOM 0 HA LEU A 48 66.445 6.613 -13.332 1.00 0.00 H new ATOM 0 HB2 LEU A 48 68.426 7.571 -14.435 1.00 0.00 H new ATOM 0 HB3 LEU A 48 67.334 6.865 -15.610 1.00 0.00 H new ATOM 0 HG LEU A 48 66.415 9.524 -15.374 1.00 0.00 H new ATOM 0 HD11 LEU A 48 68.425 10.941 -15.754 1.00 0.00 H new ATOM 0 HD12 LEU A 48 68.456 10.181 -14.144 1.00 0.00 H new ATOM 0 HD13 LEU A 48 69.470 9.531 -15.454 1.00 0.00 H new ATOM 0 HD21 LEU A 48 67.363 9.773 -17.683 1.00 0.00 H new ATOM 0 HD22 LEU A 48 68.360 8.323 -17.418 1.00 0.00 H new ATOM 0 HD23 LEU A 48 66.586 8.186 -17.469 1.00 0.00 H new ATOM 679 N CYS A 49 66.789 8.247 -11.538 1.00 0.00 N ATOM 680 CA CYS A 49 66.909 9.171 -10.408 1.00 0.00 C ATOM 681 C CYS A 49 67.560 10.501 -10.842 1.00 0.00 C ATOM 682 O CYS A 49 68.565 10.486 -11.551 1.00 0.00 O ATOM 683 CB CYS A 49 67.744 8.524 -9.306 1.00 0.00 C ATOM 684 SG CYS A 49 67.276 6.785 -9.133 1.00 0.00 S ATOM 0 H CYS A 49 66.940 7.267 -11.297 1.00 0.00 H new ATOM 0 HA CYS A 49 65.908 9.389 -10.035 1.00 0.00 H new ATOM 0 HB2 CYS A 49 68.805 8.604 -9.545 1.00 0.00 H new ATOM 0 HB3 CYS A 49 67.589 9.048 -8.363 1.00 0.00 H new ATOM 689 N PRO A 50 67.021 11.648 -10.454 1.00 0.00 N ATOM 690 CA PRO A 50 67.600 12.964 -10.854 1.00 0.00 C ATOM 691 C PRO A 50 69.135 12.999 -10.721 1.00 0.00 C ATOM 692 O PRO A 50 69.682 12.425 -9.780 1.00 0.00 O ATOM 693 CB PRO A 50 66.953 13.961 -9.881 1.00 0.00 C ATOM 694 CG PRO A 50 65.646 13.344 -9.487 1.00 0.00 C ATOM 695 CD PRO A 50 65.818 11.821 -9.607 1.00 0.00 C ATOM 0 HA PRO A 50 67.402 13.187 -11.902 1.00 0.00 H new ATOM 0 HB2 PRO A 50 67.587 14.127 -9.010 1.00 0.00 H new ATOM 0 HB3 PRO A 50 66.802 14.931 -10.355 1.00 0.00 H new ATOM 0 HG2 PRO A 50 65.379 13.623 -8.468 1.00 0.00 H new ATOM 0 HG3 PRO A 50 64.843 13.694 -10.135 1.00 0.00 H new ATOM 0 HD2 PRO A 50 65.952 11.359 -8.629 1.00 0.00 H new ATOM 0 HD3 PRO A 50 64.943 11.358 -10.062 1.00 0.00 H new ATOM 703 N PRO A 51 69.845 13.671 -11.611 1.00 0.00 N ATOM 704 CA PRO A 51 71.334 13.769 -11.523 1.00 0.00 C ATOM 705 C PRO A 51 71.813 14.088 -10.101 1.00 0.00 C ATOM 706 O PRO A 51 71.964 15.251 -9.727 1.00 0.00 O ATOM 707 CB PRO A 51 71.681 14.908 -12.492 1.00 0.00 C ATOM 708 CG PRO A 51 70.584 14.904 -13.509 1.00 0.00 C ATOM 709 CD PRO A 51 69.324 14.396 -12.793 1.00 0.00 C ATOM 0 HA PRO A 51 71.822 12.827 -11.775 1.00 0.00 H new ATOM 0 HB2 PRO A 51 71.733 15.865 -11.973 1.00 0.00 H new ATOM 0 HB3 PRO A 51 72.652 14.746 -12.959 1.00 0.00 H new ATOM 0 HG2 PRO A 51 70.424 15.905 -13.911 1.00 0.00 H new ATOM 0 HG3 PRO A 51 70.838 14.259 -14.350 1.00 0.00 H new ATOM 0 HD2 PRO A 51 68.673 15.220 -12.500 1.00 0.00 H new ATOM 0 HD3 PRO A 51 68.738 13.740 -13.436 1.00 0.00 H new ATOM 717 N GLY A 52 72.051 13.043 -9.318 1.00 0.00 N ATOM 718 CA GLY A 52 72.515 13.205 -7.942 1.00 0.00 C ATOM 719 C GLY A 52 72.512 11.858 -7.233 1.00 0.00 C ATOM 720 O GLY A 52 73.241 11.648 -6.265 1.00 0.00 O ATOM 0 H GLY A 52 71.931 12.073 -9.611 1.00 0.00 H new ATOM 0 HA2 GLY A 52 73.520 13.627 -7.935 1.00 0.00 H new ATOM 0 HA3 GLY A 52 71.871 13.906 -7.412 1.00 0.00 H new ATOM 724 N MET A 53 71.735 10.930 -7.770 1.00 0.00 N ATOM 725 CA MET A 53 71.689 9.570 -7.230 1.00 0.00 C ATOM 726 C MET A 53 71.956 8.572 -8.347 1.00 0.00 C ATOM 727 O MET A 53 72.317 8.959 -9.459 1.00 0.00 O ATOM 728 CB MET A 53 70.327 9.286 -6.591 1.00 0.00 C ATOM 729 CG MET A 53 70.109 10.197 -5.369 1.00 0.00 C ATOM 730 SD MET A 53 69.331 11.747 -5.902 1.00 0.00 S ATOM 731 CE MET A 53 67.625 11.353 -5.432 1.00 0.00 C ATOM 0 H MET A 53 71.129 11.087 -8.575 1.00 0.00 H new ATOM 0 HA MET A 53 72.455 9.472 -6.461 1.00 0.00 H new ATOM 0 HB2 MET A 53 69.534 9.450 -7.321 1.00 0.00 H new ATOM 0 HB3 MET A 53 70.271 8.240 -6.288 1.00 0.00 H new ATOM 0 HG2 MET A 53 69.479 9.695 -4.635 1.00 0.00 H new ATOM 0 HG3 MET A 53 71.062 10.404 -4.882 1.00 0.00 H new ATOM 0 HE1 MET A 53 66.976 12.193 -5.681 1.00 0.00 H new ATOM 0 HE2 MET A 53 67.294 10.466 -5.973 1.00 0.00 H new ATOM 0 HE3 MET A 53 67.578 11.163 -4.360 1.00 0.00 H new ATOM 741 N VAL A 54 71.816 7.283 -8.042 1.00 0.00 N ATOM 742 CA VAL A 54 72.092 6.237 -9.033 1.00 0.00 C ATOM 743 C VAL A 54 70.995 5.171 -9.006 1.00 0.00 C ATOM 744 O VAL A 54 70.534 4.776 -7.936 1.00 0.00 O ATOM 745 CB VAL A 54 73.451 5.607 -8.712 1.00 0.00 C ATOM 746 CG1 VAL A 54 73.833 4.625 -9.819 1.00 0.00 C ATOM 747 CG2 VAL A 54 74.523 6.717 -8.598 1.00 0.00 C ATOM 0 H VAL A 54 71.517 6.938 -7.130 1.00 0.00 H new ATOM 0 HA VAL A 54 72.112 6.674 -10.031 1.00 0.00 H new ATOM 0 HB VAL A 54 73.390 5.072 -7.765 1.00 0.00 H new ATOM 0 HG11 VAL A 54 74.800 4.177 -9.590 1.00 0.00 H new ATOM 0 HG12 VAL A 54 73.078 3.842 -9.888 1.00 0.00 H new ATOM 0 HG13 VAL A 54 73.894 5.154 -10.770 1.00 0.00 H new ATOM 0 HG21 VAL A 54 75.489 6.267 -8.370 1.00 0.00 H new ATOM 0 HG22 VAL A 54 74.588 7.258 -9.542 1.00 0.00 H new ATOM 0 HG23 VAL A 54 74.247 7.409 -7.802 1.00 0.00 H new ATOM 757 N ARG A 55 70.587 4.693 -10.192 1.00 0.00 N ATOM 758 CA ARG A 55 69.552 3.656 -10.268 1.00 0.00 C ATOM 759 C ARG A 55 70.193 2.260 -10.232 1.00 0.00 C ATOM 760 O ARG A 55 71.206 2.014 -10.881 1.00 0.00 O ATOM 761 CB ARG A 55 68.669 3.827 -11.548 1.00 0.00 C ATOM 762 CG ARG A 55 69.132 2.992 -12.765 1.00 0.00 C ATOM 763 CD ARG A 55 70.431 3.555 -13.350 1.00 0.00 C ATOM 764 NE ARG A 55 70.807 2.787 -14.533 1.00 0.00 N ATOM 765 CZ ARG A 55 71.234 1.532 -14.435 1.00 0.00 C ATOM 766 NH1 ARG A 55 71.335 0.965 -13.264 1.00 0.00 N ATOM 767 NH2 ARG A 55 71.546 0.861 -15.511 1.00 0.00 N1+ ATOM 0 H ARG A 55 70.951 5.002 -11.094 1.00 0.00 H new ATOM 0 HA ARG A 55 68.900 3.764 -9.401 1.00 0.00 H new ATOM 0 HB2 ARG A 55 67.643 3.552 -11.305 1.00 0.00 H new ATOM 0 HB3 ARG A 55 68.659 4.880 -11.829 1.00 0.00 H new ATOM 0 HG2 ARG A 55 69.283 1.955 -12.464 1.00 0.00 H new ATOM 0 HG3 ARG A 55 68.354 2.992 -13.529 1.00 0.00 H new ATOM 0 HD2 ARG A 55 70.299 4.605 -13.612 1.00 0.00 H new ATOM 0 HD3 ARG A 55 71.227 3.510 -12.606 1.00 0.00 H new ATOM 0 HE ARG A 55 70.741 3.222 -15.453 1.00 0.00 H new ATOM 0 HH11 ARG A 55 71.086 1.485 -12.422 1.00 0.00 H new ATOM 0 HH12 ARG A 55 71.663 0.002 -13.190 1.00 0.00 H new ATOM 0 HH21 ARG A 55 71.462 1.300 -16.428 1.00 0.00 H new ATOM 0 HH22 ARG A 55 71.874 -0.102 -15.434 1.00 0.00 H new ATOM 781 N HIS A 56 69.584 1.343 -9.485 1.00 0.00 N ATOM 782 CA HIS A 56 70.091 -0.029 -9.423 1.00 0.00 C ATOM 783 C HIS A 56 68.996 -0.984 -8.949 1.00 0.00 C ATOM 784 O HIS A 56 67.999 -0.567 -8.370 1.00 0.00 O ATOM 785 CB HIS A 56 71.326 -0.115 -8.501 1.00 0.00 C ATOM 786 CG HIS A 56 72.258 -1.214 -8.973 1.00 0.00 C ATOM 787 ND1 HIS A 56 72.166 -2.585 -8.927 1.00 0.00 N flip ATOM 788 CD2 HIS A 56 73.467 -0.942 -9.597 1.00 0.00 C flip ATOM 789 CE1 HIS A 56 73.296 -3.153 -9.508 1.00 0.00 C flip ATOM 790 NE2 HIS A 56 74.047 -2.121 -9.895 1.00 0.00 N flip ATOM 0 H HIS A 56 68.752 1.518 -8.922 1.00 0.00 H new ATOM 0 HA HIS A 56 70.396 -0.327 -10.426 1.00 0.00 H new ATOM 0 HB2 HIS A 56 71.852 0.840 -8.496 1.00 0.00 H new ATOM 0 HB3 HIS A 56 71.011 -0.311 -7.476 1.00 0.00 H new ATOM 0 HD2 HIS A 56 73.870 0.038 -9.806 1.00 0.00 H new ATOM 0 HE1 HIS A 56 73.517 -4.204 -9.621 1.00 0.00 H new ATOM 0 HE2 HIS A 56 74.950 -2.213 -10.360 1.00 0.00 H new ATOM 798 N GLU A 57 69.205 -2.267 -9.203 1.00 0.00 N ATOM 799 CA GLU A 57 68.246 -3.306 -8.809 1.00 0.00 C ATOM 800 C GLU A 57 66.792 -2.809 -8.904 1.00 0.00 C ATOM 801 O GLU A 57 66.005 -3.058 -7.994 1.00 0.00 O ATOM 802 CB GLU A 57 68.535 -3.775 -7.358 1.00 0.00 C ATOM 803 CG GLU A 57 68.204 -5.287 -7.173 1.00 0.00 C ATOM 804 CD GLU A 57 67.463 -5.525 -5.854 1.00 0.00 C ATOM 805 OE1 GLU A 57 66.576 -4.746 -5.548 1.00 0.00 O1- ATOM 806 OE2 GLU A 57 67.792 -6.486 -5.177 1.00 0.00 O ATOM 0 H GLU A 57 70.032 -2.622 -9.682 1.00 0.00 H new ATOM 0 HA GLU A 57 68.366 -4.140 -9.501 1.00 0.00 H new ATOM 0 HB2 GLU A 57 69.584 -3.599 -7.119 1.00 0.00 H new ATOM 0 HB3 GLU A 57 67.945 -3.183 -6.658 1.00 0.00 H new ATOM 0 HG2 GLU A 57 67.593 -5.635 -8.006 1.00 0.00 H new ATOM 0 HG3 GLU A 57 69.125 -5.870 -7.188 1.00 0.00 H new ATOM 813 N ASN A 58 66.457 -2.088 -9.984 1.00 0.00 N ATOM 814 CA ASN A 58 65.096 -1.555 -10.178 1.00 0.00 C ATOM 815 C ASN A 58 64.781 -0.423 -9.198 1.00 0.00 C ATOM 816 O ASN A 58 63.916 0.411 -9.467 1.00 0.00 O ATOM 817 CB ASN A 58 64.046 -2.668 -10.040 1.00 0.00 C ATOM 818 CG ASN A 58 62.663 -2.122 -10.376 1.00 0.00 C ATOM 819 OD1 ASN A 58 62.333 -1.933 -11.545 1.00 0.00 O ATOM 820 ND2 ASN A 58 61.835 -1.850 -9.405 1.00 0.00 N ATOM 0 H ASN A 58 67.107 -1.860 -10.736 1.00 0.00 H new ATOM 0 HA ASN A 58 65.056 -1.149 -11.189 1.00 0.00 H new ATOM 0 HB2 ASN A 58 64.291 -3.496 -10.706 1.00 0.00 H new ATOM 0 HB3 ASN A 58 64.054 -3.063 -9.024 1.00 0.00 H new ATOM 0 HD21 ASN A 58 60.908 -1.479 -9.614 1.00 0.00 H new ATOM 0 HD22 ASN A 58 62.114 -2.009 -8.437 1.00 0.00 H new ATOM 827 N ARG A 59 65.500 -0.375 -8.080 1.00 0.00 N ATOM 828 CA ARG A 59 65.309 0.681 -7.080 1.00 0.00 C ATOM 829 C ARG A 59 66.430 1.707 -7.219 1.00 0.00 C ATOM 830 O ARG A 59 67.256 1.599 -8.122 1.00 0.00 O ATOM 831 CB ARG A 59 65.352 0.066 -5.680 1.00 0.00 C ATOM 832 CG ARG A 59 66.734 -0.541 -5.428 1.00 0.00 C ATOM 833 CD ARG A 59 66.663 -1.502 -4.243 1.00 0.00 C ATOM 834 NE ARG A 59 65.815 -0.943 -3.199 1.00 0.00 N ATOM 835 CZ ARG A 59 66.281 -0.031 -2.358 1.00 0.00 C ATOM 836 NH1 ARG A 59 67.521 0.363 -2.453 1.00 0.00 N ATOM 837 NH2 ARG A 59 65.503 0.469 -1.440 1.00 0.00 N1+ ATOM 0 H ARG A 59 66.222 -1.054 -7.840 1.00 0.00 H new ATOM 0 HA ARG A 59 64.345 1.166 -7.234 1.00 0.00 H new ATOM 0 HB2 ARG A 59 65.136 0.827 -4.931 1.00 0.00 H new ATOM 0 HB3 ARG A 59 64.584 -0.701 -5.585 1.00 0.00 H new ATOM 0 HG2 ARG A 59 67.078 -1.069 -6.317 1.00 0.00 H new ATOM 0 HG3 ARG A 59 67.458 0.249 -5.226 1.00 0.00 H new ATOM 0 HD2 ARG A 59 66.268 -2.464 -4.568 1.00 0.00 H new ATOM 0 HD3 ARG A 59 67.664 -1.684 -3.851 1.00 0.00 H new ATOM 0 HE ARG A 59 64.849 -1.258 -3.114 1.00 0.00 H new ATOM 0 HH11 ARG A 59 68.128 -0.031 -3.172 1.00 0.00 H new ATOM 0 HH12 ARG A 59 67.884 1.065 -1.808 1.00 0.00 H new ATOM 0 HH21 ARG A 59 64.534 0.158 -1.368 1.00 0.00 H new ATOM 0 HH22 ARG A 59 65.863 1.171 -0.793 1.00 0.00 H new ATOM 851 N CYS A 60 66.449 2.722 -6.351 1.00 0.00 N ATOM 852 CA CYS A 60 67.488 3.761 -6.419 1.00 0.00 C ATOM 853 C CYS A 60 68.356 3.770 -5.164 1.00 0.00 C ATOM 854 O CYS A 60 67.867 4.004 -4.059 1.00 0.00 O ATOM 855 CB CYS A 60 66.843 5.138 -6.614 1.00 0.00 C ATOM 856 SG CYS A 60 68.062 6.257 -7.350 1.00 0.00 S ATOM 0 H CYS A 60 65.769 2.849 -5.602 1.00 0.00 H new ATOM 0 HA CYS A 60 68.129 3.534 -7.271 1.00 0.00 H new ATOM 0 HB2 CYS A 60 65.968 5.057 -7.259 1.00 0.00 H new ATOM 0 HB3 CYS A 60 66.499 5.532 -5.658 1.00 0.00 H new ATOM 861 N VAL A 61 69.668 3.551 -5.354 1.00 0.00 N ATOM 862 CA VAL A 61 70.627 3.583 -4.239 1.00 0.00 C ATOM 863 C VAL A 61 71.883 4.375 -4.644 1.00 0.00 C ATOM 864 O VAL A 61 72.172 4.532 -5.829 1.00 0.00 O ATOM 865 CB VAL A 61 71.061 2.154 -3.806 1.00 0.00 C ATOM 866 CG1 VAL A 61 71.423 2.170 -2.317 1.00 0.00 C ATOM 867 CG2 VAL A 61 69.938 1.121 -4.064 1.00 0.00 C ATOM 0 H VAL A 61 70.086 3.351 -6.263 1.00 0.00 H new ATOM 0 HA VAL A 61 70.126 4.065 -3.399 1.00 0.00 H new ATOM 0 HB VAL A 61 71.927 1.859 -4.399 1.00 0.00 H new ATOM 0 HG11 VAL A 61 71.728 1.171 -2.006 1.00 0.00 H new ATOM 0 HG12 VAL A 61 72.243 2.869 -2.149 1.00 0.00 H new ATOM 0 HG13 VAL A 61 70.556 2.482 -1.735 1.00 0.00 H new ATOM 0 HG21 VAL A 61 70.274 0.133 -3.750 1.00 0.00 H new ATOM 0 HG22 VAL A 61 69.050 1.400 -3.497 1.00 0.00 H new ATOM 0 HG23 VAL A 61 69.698 1.102 -5.127 1.00 0.00 H new ATOM 877 N ALA A 62 72.650 4.825 -3.645 1.00 0.00 N ATOM 878 CA ALA A 62 73.906 5.546 -3.893 1.00 0.00 C ATOM 879 C ALA A 62 75.086 4.557 -3.893 1.00 0.00 C ATOM 880 O ALA A 62 74.968 3.445 -3.381 1.00 0.00 O ATOM 881 CB ALA A 62 74.114 6.623 -2.809 1.00 0.00 C ATOM 0 H ALA A 62 72.424 4.703 -2.658 1.00 0.00 H new ATOM 0 HA ALA A 62 73.854 6.032 -4.867 1.00 0.00 H new ATOM 0 HB1 ALA A 62 75.047 7.154 -2.998 1.00 0.00 H new ATOM 0 HB2 ALA A 62 73.283 7.328 -2.833 1.00 0.00 H new ATOM 0 HB3 ALA A 62 74.159 6.149 -1.829 1.00 0.00 H new ATOM 887 N LEU A 63 76.207 4.960 -4.502 1.00 0.00 N ATOM 888 CA LEU A 63 77.380 4.074 -4.599 1.00 0.00 C ATOM 889 C LEU A 63 77.910 3.680 -3.214 1.00 0.00 C ATOM 890 O LEU A 63 78.288 2.527 -3.004 1.00 0.00 O ATOM 891 CB LEU A 63 78.521 4.770 -5.393 1.00 0.00 C ATOM 892 CG LEU A 63 78.461 4.443 -6.903 1.00 0.00 C ATOM 893 CD1 LEU A 63 77.363 5.262 -7.578 1.00 0.00 C ATOM 894 CD2 LEU A 63 79.832 4.751 -7.559 1.00 0.00 C ATOM 0 H LEU A 63 76.330 5.878 -4.930 1.00 0.00 H new ATOM 0 HA LEU A 63 77.058 3.172 -5.120 1.00 0.00 H new ATOM 0 HB2 LEU A 63 78.454 5.849 -5.253 1.00 0.00 H new ATOM 0 HB3 LEU A 63 79.485 4.456 -4.992 1.00 0.00 H new ATOM 0 HG LEU A 63 78.233 3.384 -7.028 1.00 0.00 H new ATOM 0 HD11 LEU A 63 77.331 5.022 -8.641 1.00 0.00 H new ATOM 0 HD12 LEU A 63 76.401 5.025 -7.124 1.00 0.00 H new ATOM 0 HD13 LEU A 63 77.572 6.324 -7.452 1.00 0.00 H new ATOM 0 HD21 LEU A 63 79.786 4.519 -8.623 1.00 0.00 H new ATOM 0 HD22 LEU A 63 80.069 5.807 -7.427 1.00 0.00 H new ATOM 0 HD23 LEU A 63 80.605 4.144 -7.088 1.00 0.00 H new ATOM 906 N GLU A 64 77.993 4.633 -2.299 1.00 0.00 N ATOM 907 CA GLU A 64 78.545 4.351 -0.977 1.00 0.00 C ATOM 908 C GLU A 64 77.759 3.248 -0.271 1.00 0.00 C ATOM 909 O GLU A 64 78.218 2.685 0.724 1.00 0.00 O ATOM 910 CB GLU A 64 78.516 5.623 -0.131 1.00 0.00 C ATOM 911 CG GLU A 64 79.204 5.371 1.213 1.00 0.00 C ATOM 912 CD GLU A 64 79.345 6.683 1.970 1.00 0.00 C ATOM 913 OE1 GLU A 64 78.722 7.648 1.561 1.00 0.00 O1- ATOM 914 OE2 GLU A 64 80.074 6.704 2.947 1.00 0.00 O ATOM 0 H GLU A 64 77.691 5.597 -2.441 1.00 0.00 H new ATOM 0 HA GLU A 64 79.572 4.009 -1.102 1.00 0.00 H new ATOM 0 HB2 GLU A 64 79.018 6.433 -0.660 1.00 0.00 H new ATOM 0 HB3 GLU A 64 77.485 5.938 0.032 1.00 0.00 H new ATOM 0 HG2 GLU A 64 78.624 4.661 1.802 1.00 0.00 H new ATOM 0 HG3 GLU A 64 80.186 4.925 1.052 1.00 0.00 H new ATOM 921 N ARG A 65 76.553 2.972 -0.764 1.00 0.00 N ATOM 922 CA ARG A 65 75.667 1.981 -0.138 1.00 0.00 C ATOM 923 C ARG A 65 75.371 0.827 -1.095 1.00 0.00 C ATOM 924 O ARG A 65 74.370 0.135 -0.932 1.00 0.00 O ATOM 925 CB ARG A 65 74.326 2.639 0.282 1.00 0.00 C ATOM 926 CG ARG A 65 74.440 4.181 0.365 1.00 0.00 C ATOM 927 CD ARG A 65 74.995 4.628 1.734 1.00 0.00 C ATOM 928 NE ARG A 65 73.916 5.277 2.481 1.00 0.00 N ATOM 929 CZ ARG A 65 73.919 5.374 3.806 1.00 0.00 C ATOM 930 NH1 ARG A 65 74.910 4.894 4.505 1.00 0.00 N ATOM 931 NH2 ARG A 65 72.917 5.955 4.408 1.00 0.00 N1+ ATOM 0 H ARG A 65 76.163 3.418 -1.594 1.00 0.00 H new ATOM 0 HA ARG A 65 76.180 1.594 0.743 1.00 0.00 H new ATOM 0 HB2 ARG A 65 73.550 2.371 -0.435 1.00 0.00 H new ATOM 0 HB3 ARG A 65 74.016 2.245 1.250 1.00 0.00 H new ATOM 0 HG2 ARG A 65 75.092 4.543 -0.430 1.00 0.00 H new ATOM 0 HG3 ARG A 65 73.460 4.630 0.203 1.00 0.00 H new ATOM 0 HD2 ARG A 65 75.376 3.770 2.287 1.00 0.00 H new ATOM 0 HD3 ARG A 65 75.830 5.316 1.599 1.00 0.00 H new ATOM 0 HE ARG A 65 73.130 5.671 1.963 1.00 0.00 H new ATOM 0 HH11 ARG A 65 75.692 4.439 4.035 1.00 0.00 H new ATOM 0 HH12 ARG A 65 74.903 4.974 5.522 1.00 0.00 H new ATOM 0 HH21 ARG A 65 72.141 6.329 3.862 1.00 0.00 H new ATOM 0 HH22 ARG A 65 72.910 6.035 5.425 1.00 0.00 H new ATOM 945 N CYS A 66 76.204 0.648 -2.103 1.00 0.00 N ATOM 946 CA CYS A 66 75.966 -0.420 -3.079 1.00 0.00 C ATOM 947 C CYS A 66 76.351 -1.790 -2.481 1.00 0.00 C ATOM 948 O CYS A 66 77.527 -2.022 -2.205 1.00 0.00 O ATOM 949 CB CYS A 66 76.778 -0.158 -4.358 1.00 0.00 C ATOM 950 SG CYS A 66 75.974 -0.976 -5.761 1.00 0.00 S ATOM 0 H CYS A 66 77.037 1.211 -2.273 1.00 0.00 H new ATOM 0 HA CYS A 66 74.905 -0.433 -3.329 1.00 0.00 H new ATOM 0 HB2 CYS A 66 76.852 0.914 -4.542 1.00 0.00 H new ATOM 0 HB3 CYS A 66 77.795 -0.532 -4.239 1.00 0.00 H new ATOM 955 N PRO A 67 75.412 -2.705 -2.268 1.00 0.00 N ATOM 956 CA PRO A 67 75.745 -4.039 -1.683 1.00 0.00 C ATOM 957 C PRO A 67 76.994 -4.663 -2.309 1.00 0.00 C ATOM 958 O PRO A 67 77.251 -4.517 -3.508 1.00 0.00 O ATOM 959 CB PRO A 67 74.499 -4.893 -1.968 1.00 0.00 C ATOM 960 CG PRO A 67 73.361 -3.922 -2.082 1.00 0.00 C ATOM 961 CD PRO A 67 73.958 -2.579 -2.539 1.00 0.00 C ATOM 0 HA PRO A 67 75.979 -3.963 -0.621 1.00 0.00 H new ATOM 0 HB2 PRO A 67 74.619 -5.466 -2.887 1.00 0.00 H new ATOM 0 HB3 PRO A 67 74.324 -5.610 -1.166 1.00 0.00 H new ATOM 0 HG2 PRO A 67 72.621 -4.278 -2.798 1.00 0.00 H new ATOM 0 HG3 PRO A 67 72.851 -3.811 -1.125 1.00 0.00 H new ATOM 0 HD2 PRO A 67 73.766 -2.399 -3.597 1.00 0.00 H new ATOM 0 HD3 PRO A 67 73.523 -1.744 -1.989 1.00 0.00 H new ATOM 969 N CYS A 68 77.769 -5.348 -1.472 1.00 0.00 N ATOM 970 CA CYS A 68 79.004 -5.991 -1.916 1.00 0.00 C ATOM 971 C CYS A 68 78.677 -7.286 -2.664 1.00 0.00 C ATOM 972 O CYS A 68 77.718 -7.963 -2.320 1.00 0.00 O ATOM 973 CB CYS A 68 79.903 -6.287 -0.694 1.00 0.00 C ATOM 974 SG CYS A 68 79.427 -5.211 0.685 1.00 0.00 S ATOM 0 H CYS A 68 77.564 -5.473 -0.481 1.00 0.00 H new ATOM 0 HA CYS A 68 79.537 -5.323 -2.593 1.00 0.00 H new ATOM 0 HB2 CYS A 68 79.806 -7.333 -0.403 1.00 0.00 H new ATOM 0 HB3 CYS A 68 80.950 -6.124 -0.952 1.00 0.00 H new ATOM 979 N PHE A 69 79.459 -7.612 -3.699 1.00 0.00 N ATOM 980 CA PHE A 69 79.205 -8.816 -4.514 1.00 0.00 C ATOM 981 C PHE A 69 80.219 -9.914 -4.183 1.00 0.00 C ATOM 982 O PHE A 69 81.404 -9.637 -4.007 1.00 0.00 O ATOM 983 CB PHE A 69 79.292 -8.459 -6.024 1.00 0.00 C ATOM 984 CG PHE A 69 79.386 -6.961 -6.189 1.00 0.00 C ATOM 985 CD1 PHE A 69 80.613 -6.320 -5.996 1.00 0.00 C ATOM 986 CD2 PHE A 69 78.249 -6.214 -6.521 1.00 0.00 C ATOM 987 CE1 PHE A 69 80.710 -4.934 -6.134 1.00 0.00 C ATOM 988 CE2 PHE A 69 78.345 -4.826 -6.663 1.00 0.00 C ATOM 989 CZ PHE A 69 79.574 -4.184 -6.469 1.00 0.00 C ATOM 0 H PHE A 69 80.269 -7.067 -3.995 1.00 0.00 H new ATOM 0 HA PHE A 69 78.205 -9.185 -4.286 1.00 0.00 H new ATOM 0 HB2 PHE A 69 80.162 -8.939 -6.471 1.00 0.00 H new ATOM 0 HB3 PHE A 69 78.415 -8.838 -6.548 1.00 0.00 H new ATOM 0 HD1 PHE A 69 81.488 -6.898 -5.739 1.00 0.00 H new ATOM 0 HD2 PHE A 69 77.300 -6.709 -6.667 1.00 0.00 H new ATOM 0 HE1 PHE A 69 81.659 -4.440 -5.983 1.00 0.00 H new ATOM 0 HE2 PHE A 69 77.470 -4.249 -6.923 1.00 0.00 H new ATOM 0 HZ PHE A 69 79.647 -3.112 -6.577 1.00 0.00 H new ATOM 999 N HIS A 70 79.752 -11.164 -4.098 1.00 0.00 N ATOM 1000 CA HIS A 70 80.660 -12.272 -3.794 1.00 0.00 C ATOM 1001 C HIS A 70 80.124 -13.610 -4.332 1.00 0.00 C ATOM 1002 O HIS A 70 79.234 -14.223 -3.741 1.00 0.00 O ATOM 1003 CB HIS A 70 80.884 -12.349 -2.261 1.00 0.00 C ATOM 1004 CG HIS A 70 82.354 -12.506 -1.917 1.00 0.00 C ATOM 1005 ND1 HIS A 70 83.319 -12.815 -2.865 1.00 0.00 N ATOM 1006 CD2 HIS A 70 83.031 -12.379 -0.727 1.00 0.00 C ATOM 1007 CE1 HIS A 70 84.509 -12.860 -2.236 1.00 0.00 C ATOM 1008 NE2 HIS A 70 84.390 -12.603 -0.932 1.00 0.00 N ATOM 0 H HIS A 70 78.776 -11.429 -4.232 1.00 0.00 H new ATOM 0 HA HIS A 70 81.611 -12.084 -4.292 1.00 0.00 H new ATOM 0 HB2 HIS A 70 80.494 -11.446 -1.790 1.00 0.00 H new ATOM 0 HB3 HIS A 70 80.323 -13.189 -1.853 1.00 0.00 H new ATOM 0 HD2 HIS A 70 82.577 -12.141 0.224 1.00 0.00 H new ATOM 0 HE1 HIS A 70 85.446 -13.078 -2.727 1.00 0.00 H new ATOM 0 HE2 HIS A 70 85.134 -12.576 -0.235 1.00 0.00 H new ATOM 1016 N GLN A 71 80.738 -14.078 -5.413 1.00 0.00 N ATOM 1017 CA GLN A 71 80.410 -15.380 -5.996 1.00 0.00 C ATOM 1018 C GLN A 71 78.900 -15.634 -6.062 1.00 0.00 C ATOM 1019 O GLN A 71 78.374 -16.473 -5.332 1.00 0.00 O ATOM 1020 CB GLN A 71 81.069 -16.491 -5.169 1.00 0.00 C ATOM 1021 CG GLN A 71 82.528 -16.124 -4.852 1.00 0.00 C ATOM 1022 CD GLN A 71 83.390 -16.196 -6.113 1.00 0.00 C ATOM 1023 OE1 GLN A 71 83.197 -15.342 -7.081 1.00 0.00 O flip ATOM 1024 NE2 GLN A 71 84.250 -17.070 -6.224 1.00 0.00 N flip ATOM 0 H GLN A 71 81.472 -13.572 -5.909 1.00 0.00 H new ATOM 0 HA GLN A 71 80.789 -15.379 -7.018 1.00 0.00 H new ATOM 0 HB2 GLN A 71 80.515 -16.642 -4.243 1.00 0.00 H new ATOM 0 HB3 GLN A 71 81.034 -17.432 -5.718 1.00 0.00 H new ATOM 0 HG2 GLN A 71 82.572 -15.119 -4.432 1.00 0.00 H new ATOM 0 HG3 GLN A 71 82.923 -16.803 -4.096 1.00 0.00 H new ATOM 0 HE21 GLN A 71 84.400 -17.737 -5.467 1.00 0.00 H new ATOM 0 HE22 GLN A 71 84.812 -17.127 -7.073 1.00 0.00 H new ATOM 1033 N GLY A 72 78.234 -14.979 -7.007 1.00 0.00 N ATOM 1034 CA GLY A 72 76.804 -15.211 -7.239 1.00 0.00 C ATOM 1035 C GLY A 72 75.909 -14.577 -6.171 1.00 0.00 C ATOM 1036 O GLY A 72 74.731 -14.322 -6.426 1.00 0.00 O ATOM 0 H GLY A 72 78.655 -14.285 -7.625 1.00 0.00 H new ATOM 0 HA2 GLY A 72 76.532 -14.812 -8.216 1.00 0.00 H new ATOM 0 HA3 GLY A 72 76.617 -16.284 -7.270 1.00 0.00 H new ATOM 1040 N LYS A 73 76.451 -14.344 -4.976 1.00 0.00 N ATOM 1041 CA LYS A 73 75.672 -13.762 -3.870 1.00 0.00 C ATOM 1042 C LYS A 73 76.306 -12.454 -3.400 1.00 0.00 C ATOM 1043 O LYS A 73 77.513 -12.250 -3.538 1.00 0.00 O ATOM 1044 CB LYS A 73 75.597 -14.772 -2.701 1.00 0.00 C ATOM 1045 CG LYS A 73 74.259 -15.560 -2.713 1.00 0.00 C ATOM 1046 CD LYS A 73 73.174 -14.811 -1.908 1.00 0.00 C ATOM 1047 CE LYS A 73 72.025 -15.768 -1.572 1.00 0.00 C ATOM 1048 NZ LYS A 73 71.073 -15.097 -0.638 1.00 0.00 N1+ ATOM 0 H LYS A 73 77.423 -14.547 -4.744 1.00 0.00 H new ATOM 0 HA LYS A 73 74.663 -13.546 -4.222 1.00 0.00 H new ATOM 0 HB2 LYS A 73 76.432 -15.470 -2.768 1.00 0.00 H new ATOM 0 HB3 LYS A 73 75.700 -14.242 -1.754 1.00 0.00 H new ATOM 0 HG2 LYS A 73 73.924 -15.700 -3.741 1.00 0.00 H new ATOM 0 HG3 LYS A 73 74.412 -16.552 -2.289 1.00 0.00 H new ATOM 0 HD2 LYS A 73 73.603 -14.406 -0.991 1.00 0.00 H new ATOM 0 HD3 LYS A 73 72.799 -13.966 -2.485 1.00 0.00 H new ATOM 0 HE2 LYS A 73 71.507 -16.065 -2.484 1.00 0.00 H new ATOM 0 HE3 LYS A 73 72.417 -16.678 -1.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 70.294 -15.747 -0.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 71.571 -14.835 0.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 70.690 -14.241 -1.088 1.00 0.00 H new ATOM 1062 N GLU A 74 75.473 -11.566 -2.857 1.00 0.00 N ATOM 1063 CA GLU A 74 75.940 -10.262 -2.378 1.00 0.00 C ATOM 1064 C GLU A 74 75.826 -10.178 -0.863 1.00 0.00 C ATOM 1065 O GLU A 74 74.835 -10.608 -0.274 1.00 0.00 O ATOM 1066 CB GLU A 74 75.109 -9.152 -3.036 1.00 0.00 C ATOM 1067 CG GLU A 74 73.606 -9.306 -2.667 1.00 0.00 C ATOM 1068 CD GLU A 74 73.181 -8.241 -1.654 1.00 0.00 C ATOM 1069 OE1 GLU A 74 73.969 -7.943 -0.769 1.00 0.00 O1- ATOM 1070 OE2 GLU A 74 72.072 -7.747 -1.773 1.00 0.00 O ATOM 0 H GLU A 74 74.472 -11.724 -2.737 1.00 0.00 H new ATOM 0 HA GLU A 74 76.989 -10.137 -2.647 1.00 0.00 H new ATOM 0 HB2 GLU A 74 75.471 -8.177 -2.711 1.00 0.00 H new ATOM 0 HB3 GLU A 74 75.230 -9.192 -4.119 1.00 0.00 H new ATOM 0 HG2 GLU A 74 72.996 -9.222 -3.566 1.00 0.00 H new ATOM 0 HG3 GLU A 74 73.429 -10.299 -2.253 1.00 0.00 H new ATOM 1077 N TYR A 75 76.868 -9.630 -0.236 1.00 0.00 N ATOM 1078 CA TYR A 75 76.905 -9.495 1.218 1.00 0.00 C ATOM 1079 C TYR A 75 76.871 -8.027 1.622 1.00 0.00 C ATOM 1080 O TYR A 75 77.706 -7.226 1.202 1.00 0.00 O ATOM 1081 CB TYR A 75 78.168 -10.166 1.777 1.00 0.00 C ATOM 1082 CG TYR A 75 78.250 -11.637 1.365 1.00 0.00 C ATOM 1083 CD1 TYR A 75 77.099 -12.454 1.262 1.00 0.00 C ATOM 1084 CD2 TYR A 75 79.508 -12.190 1.080 1.00 0.00 C ATOM 1085 CE1 TYR A 75 77.223 -13.795 0.879 1.00 0.00 C ATOM 1086 CE2 TYR A 75 79.621 -13.534 0.699 1.00 0.00 C ATOM 1087 CZ TYR A 75 78.479 -14.333 0.599 1.00 0.00 C ATOM 1088 OH TYR A 75 78.590 -15.655 0.222 1.00 0.00 O ATOM 0 H TYR A 75 77.696 -9.273 -0.713 1.00 0.00 H new ATOM 0 HA TYR A 75 76.026 -9.988 1.633 1.00 0.00 H new ATOM 0 HB2 TYR A 75 79.051 -9.637 1.419 1.00 0.00 H new ATOM 0 HB3 TYR A 75 78.170 -10.091 2.864 1.00 0.00 H new ATOM 0 HD1 TYR A 75 76.124 -12.043 1.479 1.00 0.00 H new ATOM 0 HD2 TYR A 75 80.394 -11.577 1.155 1.00 0.00 H new ATOM 0 HE1 TYR A 75 76.342 -14.415 0.800 1.00 0.00 H new ATOM 0 HE2 TYR A 75 80.593 -13.953 0.482 1.00 0.00 H new ATOM 0 HH TYR A 75 79.532 -15.872 0.062 1.00 0.00 H new ATOM 1098 N ALA A 76 75.882 -7.694 2.442 1.00 0.00 N ATOM 1099 CA ALA A 76 75.704 -6.332 2.926 1.00 0.00 C ATOM 1100 C ALA A 76 77.018 -5.825 3.527 1.00 0.00 C ATOM 1101 O ALA A 76 77.957 -6.592 3.700 1.00 0.00 O ATOM 1102 CB ALA A 76 74.564 -6.327 3.975 1.00 0.00 C ATOM 0 H ALA A 76 75.186 -8.355 2.788 1.00 0.00 H new ATOM 0 HA ALA A 76 75.433 -5.665 2.108 1.00 0.00 H new ATOM 0 HB1 ALA A 76 74.417 -5.313 4.348 1.00 0.00 H new ATOM 0 HB2 ALA A 76 73.642 -6.680 3.512 1.00 0.00 H new ATOM 0 HB3 ALA A 76 74.829 -6.984 4.803 1.00 0.00 H new ATOM 1108 N PRO A 77 77.105 -4.559 3.839 1.00 0.00 N ATOM 1109 CA PRO A 77 78.342 -3.969 4.429 1.00 0.00 C ATOM 1110 C PRO A 77 78.512 -4.338 5.906 1.00 0.00 C ATOM 1111 O PRO A 77 77.551 -4.709 6.580 1.00 0.00 O ATOM 1112 CB PRO A 77 78.146 -2.462 4.224 1.00 0.00 C ATOM 1113 CG PRO A 77 76.662 -2.257 4.223 1.00 0.00 C ATOM 1114 CD PRO A 77 76.043 -3.550 3.669 1.00 0.00 C ATOM 0 HA PRO A 77 79.253 -4.342 3.961 1.00 0.00 H new ATOM 0 HB2 PRO A 77 78.622 -1.891 5.021 1.00 0.00 H new ATOM 0 HB3 PRO A 77 78.590 -2.131 3.285 1.00 0.00 H new ATOM 0 HG2 PRO A 77 76.298 -2.053 5.230 1.00 0.00 H new ATOM 0 HG3 PRO A 77 76.389 -1.401 3.606 1.00 0.00 H new ATOM 0 HD2 PRO A 77 75.140 -3.825 4.215 1.00 0.00 H new ATOM 0 HD3 PRO A 77 75.761 -3.440 2.622 1.00 0.00 H new ATOM 1122 N GLY A 78 79.750 -4.251 6.390 1.00 0.00 N ATOM 1123 CA GLY A 78 80.047 -4.590 7.782 1.00 0.00 C ATOM 1124 C GLY A 78 79.932 -6.097 8.009 1.00 0.00 C ATOM 1125 O GLY A 78 80.362 -6.612 9.043 1.00 0.00 O ATOM 0 H GLY A 78 80.558 -3.951 5.845 1.00 0.00 H new ATOM 0 HA2 GLY A 78 81.053 -4.255 8.036 1.00 0.00 H new ATOM 0 HA3 GLY A 78 79.359 -4.064 8.444 1.00 0.00 H new ATOM 1129 N GLU A 79 79.353 -6.797 7.041 1.00 0.00 N ATOM 1130 CA GLU A 79 79.202 -8.249 7.154 1.00 0.00 C ATOM 1131 C GLU A 79 80.563 -8.911 7.314 1.00 0.00 C ATOM 1132 O GLU A 79 81.526 -8.556 6.633 1.00 0.00 O ATOM 1133 CB GLU A 79 78.492 -8.812 5.908 1.00 0.00 C ATOM 1134 CG GLU A 79 76.973 -8.723 6.079 1.00 0.00 C ATOM 1135 CD GLU A 79 76.503 -9.807 7.044 1.00 0.00 C ATOM 1136 OE1 GLU A 79 76.770 -10.967 6.774 1.00 0.00 O1- ATOM 1137 OE2 GLU A 79 75.886 -9.464 8.039 1.00 0.00 O ATOM 0 H GLU A 79 78.984 -6.394 6.180 1.00 0.00 H new ATOM 0 HA GLU A 79 78.597 -8.465 8.035 1.00 0.00 H new ATOM 0 HB2 GLU A 79 78.799 -8.255 5.023 1.00 0.00 H new ATOM 0 HB3 GLU A 79 78.787 -9.849 5.750 1.00 0.00 H new ATOM 0 HG2 GLU A 79 76.697 -7.739 6.458 1.00 0.00 H new ATOM 0 HG3 GLU A 79 76.481 -8.842 5.114 1.00 0.00 H new ATOM 1144 N THR A 80 80.641 -9.859 8.249 1.00 0.00 N ATOM 1145 CA THR A 80 81.886 -10.560 8.544 1.00 0.00 C ATOM 1146 C THR A 80 81.739 -12.057 8.297 1.00 0.00 C ATOM 1147 O THR A 80 80.705 -12.655 8.595 1.00 0.00 O ATOM 1148 CB THR A 80 82.265 -10.334 10.012 1.00 0.00 C ATOM 1149 OG1 THR A 80 83.088 -11.404 10.453 1.00 0.00 O ATOM 1150 CG2 THR A 80 80.999 -10.276 10.878 1.00 0.00 C ATOM 0 H THR A 80 79.849 -10.159 8.817 1.00 0.00 H new ATOM 0 HA THR A 80 82.663 -10.168 7.888 1.00 0.00 H new ATOM 0 HB THR A 80 82.803 -9.391 10.103 1.00 0.00 H new ATOM 0 HG1 THR A 80 83.334 -11.262 11.391 1.00 0.00 H new ATOM 0 HG21 THR A 80 81.278 -10.115 11.919 1.00 0.00 H new ATOM 0 HG22 THR A 80 80.365 -9.456 10.541 1.00 0.00 H new ATOM 0 HG23 THR A 80 80.454 -11.216 10.789 1.00 0.00 H new ATOM 1158 N VAL A 81 82.803 -12.656 7.776 1.00 0.00 N ATOM 1159 CA VAL A 81 82.830 -14.090 7.519 1.00 0.00 C ATOM 1160 C VAL A 81 84.276 -14.542 7.336 1.00 0.00 C ATOM 1161 O VAL A 81 85.130 -13.749 6.942 1.00 0.00 O ATOM 1162 CB VAL A 81 81.999 -14.426 6.276 1.00 0.00 C ATOM 1163 CG1 VAL A 81 82.624 -13.772 5.039 1.00 0.00 C ATOM 1164 CG2 VAL A 81 81.937 -15.949 6.085 1.00 0.00 C ATOM 0 H VAL A 81 83.662 -12.168 7.522 1.00 0.00 H new ATOM 0 HA VAL A 81 82.395 -14.617 8.368 1.00 0.00 H new ATOM 0 HB VAL A 81 80.988 -14.042 6.410 1.00 0.00 H new ATOM 0 HG11 VAL A 81 82.028 -14.015 4.159 1.00 0.00 H new ATOM 0 HG12 VAL A 81 82.649 -12.691 5.173 1.00 0.00 H new ATOM 0 HG13 VAL A 81 83.639 -14.145 4.904 1.00 0.00 H new ATOM 0 HG21 VAL A 81 81.345 -16.181 5.200 1.00 0.00 H new ATOM 0 HG22 VAL A 81 82.946 -16.341 5.959 1.00 0.00 H new ATOM 0 HG23 VAL A 81 81.476 -16.407 6.960 1.00 0.00 H new ATOM 1174 N LYS A 82 84.561 -15.804 7.661 1.00 0.00 N ATOM 1175 CA LYS A 82 85.927 -16.325 7.560 1.00 0.00 C ATOM 1176 C LYS A 82 86.109 -17.152 6.294 1.00 0.00 C ATOM 1177 O LYS A 82 85.617 -18.277 6.202 1.00 0.00 O ATOM 1178 CB LYS A 82 86.237 -17.202 8.783 1.00 0.00 C ATOM 1179 CG LYS A 82 85.980 -16.406 10.085 1.00 0.00 C ATOM 1180 CD LYS A 82 84.535 -16.650 10.588 1.00 0.00 C ATOM 1181 CE LYS A 82 84.021 -15.470 11.453 1.00 0.00 C ATOM 1182 NZ LYS A 82 83.661 -15.978 12.804 1.00 0.00 N1+ ATOM 0 H LYS A 82 83.872 -16.479 7.993 1.00 0.00 H new ATOM 0 HA LYS A 82 86.610 -15.477 7.522 1.00 0.00 H new ATOM 0 HB2 LYS A 82 85.615 -18.097 8.766 1.00 0.00 H new ATOM 0 HB3 LYS A 82 87.275 -17.534 8.749 1.00 0.00 H new ATOM 0 HG2 LYS A 82 86.695 -16.708 10.851 1.00 0.00 H new ATOM 0 HG3 LYS A 82 86.135 -15.342 9.906 1.00 0.00 H new ATOM 0 HD2 LYS A 82 83.872 -16.791 9.735 1.00 0.00 H new ATOM 0 HD3 LYS A 82 84.504 -17.570 11.172 1.00 0.00 H new ATOM 0 HE2 LYS A 82 84.788 -14.700 11.533 1.00 0.00 H new ATOM 0 HE3 LYS A 82 83.154 -15.008 10.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 83.315 -15.191 13.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 82.916 -16.698 12.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 84.500 -16.400 13.251 1.00 0.00 H new ATOM 1196 N ILE A 83 86.853 -16.606 5.331 1.00 0.00 N ATOM 1197 CA ILE A 83 87.141 -17.315 4.082 1.00 0.00 C ATOM 1198 C ILE A 83 88.652 -17.361 3.876 1.00 0.00 C ATOM 1199 O ILE A 83 89.330 -16.339 3.983 1.00 0.00 O ATOM 1200 CB ILE A 83 86.477 -16.594 2.901 1.00 0.00 C ATOM 1201 CG1 ILE A 83 84.957 -16.437 3.140 1.00 0.00 C ATOM 1202 CG2 ILE A 83 86.731 -17.379 1.611 1.00 0.00 C ATOM 1203 CD1 ILE A 83 84.194 -17.750 2.888 1.00 0.00 C ATOM 0 H ILE A 83 87.267 -15.676 5.391 1.00 0.00 H new ATOM 0 HA ILE A 83 86.745 -18.329 4.139 1.00 0.00 H new ATOM 0 HB ILE A 83 86.911 -15.598 2.809 1.00 0.00 H new ATOM 0 HG12 ILE A 83 84.783 -16.108 4.165 1.00 0.00 H new ATOM 0 HG13 ILE A 83 84.566 -15.659 2.485 1.00 0.00 H new ATOM 0 HG21 ILE A 83 86.259 -16.865 0.774 1.00 0.00 H new ATOM 0 HG22 ILE A 83 87.804 -17.451 1.434 1.00 0.00 H new ATOM 0 HG23 ILE A 83 86.311 -18.380 1.706 1.00 0.00 H new ATOM 0 HD11 ILE A 83 83.130 -17.593 3.068 1.00 0.00 H new ATOM 0 HD12 ILE A 83 84.345 -18.066 1.856 1.00 0.00 H new ATOM 0 HD13 ILE A 83 84.566 -18.522 3.562 1.00 0.00 H new ATOM 1215 N GLY A 84 89.181 -18.554 3.626 1.00 0.00 N ATOM 1216 CA GLY A 84 90.621 -18.714 3.463 1.00 0.00 C ATOM 1217 C GLY A 84 91.319 -18.549 4.810 1.00 0.00 C ATOM 1218 O GLY A 84 90.812 -19.010 5.834 1.00 0.00 O ATOM 0 H GLY A 84 88.642 -19.415 3.533 1.00 0.00 H new ATOM 0 HA2 GLY A 84 90.841 -19.697 3.048 1.00 0.00 H new ATOM 0 HA3 GLY A 84 91.000 -17.977 2.755 1.00 0.00 H new ATOM 1222 N CYS A 85 92.477 -17.886 4.814 1.00 0.00 N ATOM 1223 CA CYS A 85 93.228 -17.664 6.059 1.00 0.00 C ATOM 1224 C CYS A 85 93.027 -16.234 6.560 1.00 0.00 C ATOM 1225 O CYS A 85 93.480 -15.877 7.647 1.00 0.00 O ATOM 1226 CB CYS A 85 94.728 -17.951 5.824 1.00 0.00 C ATOM 1227 SG CYS A 85 95.269 -19.375 6.808 1.00 0.00 S ATOM 0 H CYS A 85 92.915 -17.495 3.980 1.00 0.00 H new ATOM 0 HA CYS A 85 92.854 -18.346 6.823 1.00 0.00 H new ATOM 0 HB2 CYS A 85 94.905 -18.145 4.766 1.00 0.00 H new ATOM 0 HB3 CYS A 85 95.317 -17.074 6.090 1.00 0.00 H new ATOM 1232 N ASN A 86 92.363 -15.419 5.747 1.00 0.00 N ATOM 1233 CA ASN A 86 92.113 -14.017 6.097 1.00 0.00 C ATOM 1234 C ASN A 86 90.620 -13.702 6.043 1.00 0.00 C ATOM 1235 O ASN A 86 89.910 -14.144 5.140 1.00 0.00 O ATOM 1236 CB ASN A 86 92.886 -13.097 5.130 1.00 0.00 C ATOM 1237 CG ASN A 86 94.294 -12.824 5.662 1.00 0.00 C ATOM 1238 OD1 ASN A 86 95.051 -13.757 5.929 1.00 0.00 O ATOM 1239 ND2 ASN A 86 94.684 -11.591 5.838 1.00 0.00 N ATOM 0 H ASN A 86 91.987 -15.700 4.842 1.00 0.00 H new ATOM 0 HA ASN A 86 92.459 -13.844 7.116 1.00 0.00 H new ATOM 0 HB2 ASN A 86 92.946 -13.562 4.146 1.00 0.00 H new ATOM 0 HB3 ASN A 86 92.349 -12.157 5.006 1.00 0.00 H new ATOM 0 HD21 ASN A 86 95.619 -11.398 6.198 1.00 0.00 H new ATOM 0 HD22 ASN A 86 94.054 -10.820 5.616 1.00 0.00 H new ATOM 1246 N THR A 87 90.175 -12.866 6.980 1.00 0.00 N ATOM 1247 CA THR A 87 88.787 -12.408 7.008 1.00 0.00 C ATOM 1248 C THR A 87 88.722 -11.021 6.384 1.00 0.00 C ATOM 1249 O THR A 87 89.568 -10.169 6.658 1.00 0.00 O ATOM 1250 CB THR A 87 88.276 -12.342 8.454 1.00 0.00 C ATOM 1251 OG1 THR A 87 88.747 -11.145 9.059 1.00 0.00 O ATOM 1252 CG2 THR A 87 88.783 -13.550 9.259 1.00 0.00 C ATOM 0 H THR A 87 90.756 -12.492 7.730 1.00 0.00 H new ATOM 0 HA THR A 87 88.162 -13.105 6.450 1.00 0.00 H new ATOM 0 HB THR A 87 87.186 -12.357 8.446 1.00 0.00 H new ATOM 0 HG1 THR A 87 88.423 -11.096 9.982 1.00 0.00 H new ATOM 0 HG21 THR A 87 88.411 -13.487 10.282 1.00 0.00 H new ATOM 0 HG22 THR A 87 88.425 -14.471 8.798 1.00 0.00 H new ATOM 0 HG23 THR A 87 89.873 -13.550 9.268 1.00 0.00 H new ATOM 1260 N CYS A 88 87.745 -10.813 5.503 1.00 0.00 N ATOM 1261 CA CYS A 88 87.615 -9.538 4.791 1.00 0.00 C ATOM 1262 C CYS A 88 86.197 -8.988 4.875 1.00 0.00 C ATOM 1263 O CYS A 88 85.225 -9.739 4.944 1.00 0.00 O ATOM 1264 CB CYS A 88 88.026 -9.742 3.338 1.00 0.00 C ATOM 1265 SG CYS A 88 89.647 -10.549 3.300 1.00 0.00 S ATOM 0 H CYS A 88 87.035 -11.505 5.264 1.00 0.00 H new ATOM 0 HA CYS A 88 88.269 -8.804 5.262 1.00 0.00 H new ATOM 0 HB2 CYS A 88 87.288 -10.353 2.819 1.00 0.00 H new ATOM 0 HB3 CYS A 88 88.069 -8.784 2.819 1.00 0.00 H new ATOM 1270 N VAL A 89 86.096 -7.654 4.880 1.00 0.00 N ATOM 1271 CA VAL A 89 84.801 -6.975 4.968 1.00 0.00 C ATOM 1272 C VAL A 89 84.729 -5.830 3.960 1.00 0.00 C ATOM 1273 O VAL A 89 85.661 -5.034 3.841 1.00 0.00 O ATOM 1274 CB VAL A 89 84.613 -6.417 6.388 1.00 0.00 C ATOM 1275 CG1 VAL A 89 83.140 -5.982 6.628 1.00 0.00 C ATOM 1276 CG2 VAL A 89 85.021 -7.499 7.396 1.00 0.00 C ATOM 0 H VAL A 89 86.896 -7.024 4.824 1.00 0.00 H new ATOM 0 HA VAL A 89 84.012 -7.692 4.743 1.00 0.00 H new ATOM 0 HB VAL A 89 85.239 -5.534 6.514 1.00 0.00 H new ATOM 0 HG11 VAL A 89 83.036 -5.591 7.640 1.00 0.00 H new ATOM 0 HG12 VAL A 89 82.868 -5.208 5.911 1.00 0.00 H new ATOM 0 HG13 VAL A 89 82.482 -6.841 6.502 1.00 0.00 H new ATOM 0 HG21 VAL A 89 84.893 -7.119 8.410 1.00 0.00 H new ATOM 0 HG22 VAL A 89 84.394 -8.380 7.257 1.00 0.00 H new ATOM 0 HG23 VAL A 89 86.065 -7.768 7.238 1.00 0.00 H new ATOM 1286 N CYS A 90 83.612 -5.749 3.241 1.00 0.00 N ATOM 1287 CA CYS A 90 83.421 -4.696 2.248 1.00 0.00 C ATOM 1288 C CYS A 90 83.012 -3.391 2.902 1.00 0.00 C ATOM 1289 O CYS A 90 82.080 -3.329 3.704 1.00 0.00 O ATOM 1290 CB CYS A 90 82.366 -5.113 1.231 1.00 0.00 C ATOM 1291 SG CYS A 90 80.839 -5.565 2.078 1.00 0.00 S ATOM 0 H CYS A 90 82.829 -6.397 3.327 1.00 0.00 H new ATOM 0 HA CYS A 90 84.373 -4.542 1.740 1.00 0.00 H new ATOM 0 HB2 CYS A 90 82.177 -4.296 0.534 1.00 0.00 H new ATOM 0 HB3 CYS A 90 82.729 -5.956 0.643 1.00 0.00 H new ATOM 1296 N ARG A 91 83.722 -2.350 2.508 1.00 0.00 N ATOM 1297 CA ARG A 91 83.477 -1.001 2.983 1.00 0.00 C ATOM 1298 C ARG A 91 83.736 -0.065 1.813 1.00 0.00 C ATOM 1299 O ARG A 91 84.881 0.265 1.511 1.00 0.00 O ATOM 1300 CB ARG A 91 84.415 -0.679 4.152 1.00 0.00 C ATOM 1301 CG ARG A 91 84.082 -1.603 5.329 1.00 0.00 C ATOM 1302 CD ARG A 91 84.976 -1.280 6.528 1.00 0.00 C ATOM 1303 NE ARG A 91 84.577 -2.104 7.670 1.00 0.00 N ATOM 1304 CZ ARG A 91 85.451 -2.525 8.584 1.00 0.00 C ATOM 1305 NH1 ARG A 91 86.721 -2.245 8.468 1.00 0.00 N ATOM 1306 NH2 ARG A 91 85.030 -3.230 9.598 1.00 0.00 N1+ ATOM 0 H ARG A 91 84.492 -2.418 1.843 1.00 0.00 H new ATOM 0 HA ARG A 91 82.454 -0.889 3.343 1.00 0.00 H new ATOM 0 HB2 ARG A 91 85.453 -0.814 3.850 1.00 0.00 H new ATOM 0 HB3 ARG A 91 84.303 0.364 4.449 1.00 0.00 H new ATOM 0 HG2 ARG A 91 83.034 -1.487 5.606 1.00 0.00 H new ATOM 0 HG3 ARG A 91 84.220 -2.643 5.034 1.00 0.00 H new ATOM 0 HD2 ARG A 91 86.020 -1.468 6.278 1.00 0.00 H new ATOM 0 HD3 ARG A 91 84.894 -0.223 6.782 1.00 0.00 H new ATOM 0 HE ARG A 91 83.596 -2.365 7.770 1.00 0.00 H new ATOM 0 HH11 ARG A 91 87.052 -1.699 7.672 1.00 0.00 H new ATOM 0 HH12 ARG A 91 87.382 -2.572 9.173 1.00 0.00 H new ATOM 0 HH21 ARG A 91 84.039 -3.455 9.686 1.00 0.00 H new ATOM 0 HH22 ARG A 91 85.692 -3.556 10.302 1.00 0.00 H new ATOM 1320 N ASP A 92 82.655 0.333 1.151 1.00 0.00 N ATOM 1321 CA ASP A 92 82.730 1.204 -0.018 1.00 0.00 C ATOM 1322 C ASP A 92 83.067 0.405 -1.276 1.00 0.00 C ATOM 1323 O ASP A 92 83.897 0.820 -2.085 1.00 0.00 O ATOM 1324 CB ASP A 92 83.767 2.320 0.195 1.00 0.00 C ATOM 1325 CG ASP A 92 83.425 3.545 -0.661 1.00 0.00 C ATOM 1326 OD1 ASP A 92 82.421 3.504 -1.355 1.00 0.00 O1- ATOM 1327 OD2 ASP A 92 84.173 4.506 -0.603 1.00 0.00 O ATOM 0 H ASP A 92 81.706 0.063 1.408 1.00 0.00 H new ATOM 0 HA ASP A 92 81.750 1.662 -0.153 1.00 0.00 H new ATOM 0 HB2 ASP A 92 83.795 2.602 1.248 1.00 0.00 H new ATOM 0 HB3 ASP A 92 84.761 1.955 -0.064 1.00 0.00 H new ATOM 1332 N ARG A 93 82.377 -0.721 -1.451 1.00 0.00 N ATOM 1333 CA ARG A 93 82.553 -1.555 -2.637 1.00 0.00 C ATOM 1334 C ARG A 93 83.968 -2.121 -2.725 1.00 0.00 C ATOM 1335 O ARG A 93 84.396 -2.544 -3.801 1.00 0.00 O ATOM 1336 CB ARG A 93 82.269 -0.733 -3.907 1.00 0.00 C ATOM 1337 CG ARG A 93 80.937 0.054 -3.780 1.00 0.00 C ATOM 1338 CD ARG A 93 81.047 1.406 -4.499 1.00 0.00 C ATOM 1339 NE ARG A 93 81.323 1.212 -5.927 1.00 0.00 N ATOM 1340 CZ ARG A 93 82.448 1.645 -6.516 1.00 0.00 C ATOM 1341 NH1 ARG A 93 83.394 2.229 -5.824 1.00 0.00 N ATOM 1342 NH2 ARG A 93 82.606 1.473 -7.798 1.00 0.00 N1+ ATOM 0 H ARG A 93 81.691 -1.076 -0.785 1.00 0.00 H new ATOM 0 HA ARG A 93 81.850 -2.385 -2.557 1.00 0.00 H new ATOM 0 HB2 ARG A 93 83.090 -0.038 -4.085 1.00 0.00 H new ATOM 0 HB3 ARG A 93 82.221 -1.397 -4.770 1.00 0.00 H new ATOM 0 HG2 ARG A 93 80.121 -0.528 -4.208 1.00 0.00 H new ATOM 0 HG3 ARG A 93 80.699 0.212 -2.728 1.00 0.00 H new ATOM 0 HD2 ARG A 93 80.120 1.966 -4.375 1.00 0.00 H new ATOM 0 HD3 ARG A 93 81.841 2.000 -4.047 1.00 0.00 H new ATOM 0 HE ARG A 93 80.630 0.727 -6.497 1.00 0.00 H new ATOM 0 HH11 ARG A 93 83.283 2.362 -4.819 1.00 0.00 H new ATOM 0 HH12 ARG A 93 84.242 2.551 -6.290 1.00 0.00 H new ATOM 0 HH21 ARG A 93 81.878 1.013 -8.344 1.00 0.00 H new ATOM 0 HH22 ARG A 93 83.458 1.799 -8.255 1.00 0.00 H new ATOM 1356 N LYS A 94 84.697 -2.156 -1.603 1.00 0.00 N ATOM 1357 CA LYS A 94 86.053 -2.705 -1.609 1.00 0.00 C ATOM 1358 C LYS A 94 86.278 -3.504 -0.338 1.00 0.00 C ATOM 1359 O LYS A 94 85.873 -3.088 0.746 1.00 0.00 O ATOM 1360 CB LYS A 94 87.103 -1.584 -1.698 1.00 0.00 C ATOM 1361 CG LYS A 94 86.779 -0.624 -2.864 1.00 0.00 C ATOM 1362 CD LYS A 94 88.068 -0.002 -3.430 1.00 0.00 C ATOM 1363 CE LYS A 94 88.847 0.730 -2.329 1.00 0.00 C ATOM 1364 NZ LYS A 94 88.003 1.806 -1.739 1.00 0.00 N1+ ATOM 0 H LYS A 94 84.376 -1.817 -0.696 1.00 0.00 H new ATOM 0 HA LYS A 94 86.160 -3.349 -2.482 1.00 0.00 H new ATOM 0 HB2 LYS A 94 87.130 -1.029 -0.760 1.00 0.00 H new ATOM 0 HB3 LYS A 94 88.093 -2.017 -1.841 1.00 0.00 H new ATOM 0 HG2 LYS A 94 86.254 -1.164 -3.651 1.00 0.00 H new ATOM 0 HG3 LYS A 94 86.110 0.164 -2.518 1.00 0.00 H new ATOM 0 HD2 LYS A 94 88.692 -0.781 -3.867 1.00 0.00 H new ATOM 0 HD3 LYS A 94 87.820 0.694 -4.231 1.00 0.00 H new ATOM 0 HE2 LYS A 94 89.147 0.025 -1.554 1.00 0.00 H new ATOM 0 HE3 LYS A 94 89.761 1.158 -2.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 88.599 2.443 -1.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 87.545 2.346 -2.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 87.275 1.381 -1.130 1.00 0.00 H new ATOM 1378 N TRP A 95 86.941 -4.645 -0.477 1.00 0.00 N ATOM 1379 CA TRP A 95 87.222 -5.507 0.661 1.00 0.00 C ATOM 1380 C TRP A 95 88.437 -4.991 1.421 1.00 0.00 C ATOM 1381 O TRP A 95 89.401 -4.510 0.826 1.00 0.00 O ATOM 1382 CB TRP A 95 87.465 -6.928 0.159 1.00 0.00 C ATOM 1383 CG TRP A 95 86.214 -7.457 -0.475 1.00 0.00 C ATOM 1384 CD1 TRP A 95 86.016 -7.564 -1.807 1.00 0.00 C ATOM 1385 CD2 TRP A 95 84.992 -7.951 0.160 1.00 0.00 C ATOM 1386 NE1 TRP A 95 84.758 -8.092 -2.035 1.00 0.00 N ATOM 1387 CE2 TRP A 95 84.089 -8.347 -0.857 1.00 0.00 C ATOM 1388 CE3 TRP A 95 84.582 -8.094 1.501 1.00 0.00 C ATOM 1389 CZ2 TRP A 95 82.826 -8.866 -0.556 1.00 0.00 C ATOM 1390 CZ3 TRP A 95 83.310 -8.617 1.805 1.00 0.00 C ATOM 1391 CH2 TRP A 95 82.433 -9.002 0.778 1.00 0.00 C ATOM 0 H TRP A 95 87.294 -4.994 -1.368 1.00 0.00 H new ATOM 0 HA TRP A 95 86.371 -5.507 1.343 1.00 0.00 H new ATOM 0 HB2 TRP A 95 88.282 -6.935 -0.563 1.00 0.00 H new ATOM 0 HB3 TRP A 95 87.765 -7.571 0.987 1.00 0.00 H new ATOM 0 HD1 TRP A 95 86.726 -7.283 -2.571 1.00 0.00 H new ATOM 0 HE1 TRP A 95 84.372 -8.271 -2.962 1.00 0.00 H new ATOM 0 HE3 TRP A 95 85.247 -7.801 2.300 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 82.157 -9.160 -1.351 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 83.007 -8.723 2.836 1.00 0.00 H new ATOM 0 HH2 TRP A 95 81.459 -9.402 1.018 1.00 0.00 H new ATOM 1402 N ASN A 96 88.392 -5.128 2.746 1.00 0.00 N ATOM 1403 CA ASN A 96 89.500 -4.706 3.605 1.00 0.00 C ATOM 1404 C ASN A 96 89.850 -5.826 4.578 1.00 0.00 C ATOM 1405 O ASN A 96 89.176 -6.023 5.587 1.00 0.00 O ATOM 1406 CB ASN A 96 89.109 -3.440 4.372 1.00 0.00 C ATOM 1407 CG ASN A 96 90.270 -2.977 5.243 1.00 0.00 C ATOM 1408 OD1 ASN A 96 91.406 -3.410 5.047 1.00 0.00 O ATOM 1409 ND2 ASN A 96 90.051 -2.114 6.196 1.00 0.00 N ATOM 0 H ASN A 96 87.600 -5.528 3.249 1.00 0.00 H new ATOM 0 HA ASN A 96 90.372 -4.487 2.989 1.00 0.00 H new ATOM 0 HB2 ASN A 96 88.833 -2.652 3.672 1.00 0.00 H new ATOM 0 HB3 ASN A 96 88.234 -3.637 4.992 1.00 0.00 H new ATOM 0 HD21 ASN A 96 90.822 -1.795 6.782 1.00 0.00 H new ATOM 0 HD22 ASN A 96 89.108 -1.758 6.355 1.00 0.00 H new ATOM 1416 N CYS A 97 90.886 -6.591 4.232 1.00 0.00 N ATOM 1417 CA CYS A 97 91.296 -7.737 5.040 1.00 0.00 C ATOM 1418 C CYS A 97 92.244 -7.329 6.162 1.00 0.00 C ATOM 1419 O CYS A 97 93.155 -6.524 5.972 1.00 0.00 O ATOM 1420 CB CYS A 97 91.971 -8.777 4.140 1.00 0.00 C ATOM 1421 SG CYS A 97 90.917 -9.094 2.700 1.00 0.00 S ATOM 0 H CYS A 97 91.455 -6.437 3.399 1.00 0.00 H new ATOM 0 HA CYS A 97 90.405 -8.163 5.501 1.00 0.00 H new ATOM 0 HB2 CYS A 97 92.948 -8.417 3.818 1.00 0.00 H new ATOM 0 HB3 CYS A 97 92.138 -9.701 4.694 1.00 0.00 H new ATOM 1426 N THR A 98 91.964 -7.855 7.349 1.00 0.00 N ATOM 1427 CA THR A 98 92.722 -7.534 8.555 1.00 0.00 C ATOM 1428 C THR A 98 94.206 -7.818 8.427 1.00 0.00 C ATOM 1429 O THR A 98 95.000 -7.401 9.270 1.00 0.00 O ATOM 1430 CB THR A 98 92.126 -8.305 9.737 1.00 0.00 C ATOM 1431 OG1 THR A 98 92.565 -7.714 10.950 1.00 0.00 O ATOM 1432 CG2 THR A 98 92.566 -9.768 9.680 1.00 0.00 C ATOM 0 H THR A 98 91.204 -8.517 7.504 1.00 0.00 H new ATOM 0 HA THR A 98 92.639 -6.460 8.719 1.00 0.00 H new ATOM 0 HB THR A 98 91.038 -8.264 9.686 1.00 0.00 H new ATOM 0 HG1 THR A 98 93.447 -7.308 10.816 1.00 0.00 H new ATOM 0 HG21 THR A 98 92.138 -10.310 10.524 1.00 0.00 H new ATOM 0 HG22 THR A 98 92.220 -10.216 8.748 1.00 0.00 H new ATOM 0 HG23 THR A 98 93.654 -9.823 9.727 1.00 0.00 H new ATOM 1440 N ASP A 99 94.578 -8.508 7.394 1.00 0.00 N ATOM 1441 CA ASP A 99 95.984 -8.831 7.179 1.00 0.00 C ATOM 1442 C ASP A 99 96.510 -9.822 8.232 1.00 0.00 C ATOM 1443 O ASP A 99 97.716 -9.876 8.484 1.00 0.00 O ATOM 1444 CB ASP A 99 96.817 -7.538 7.218 1.00 0.00 C ATOM 1445 CG ASP A 99 98.036 -7.654 6.305 1.00 0.00 C ATOM 1446 OD1 ASP A 99 98.704 -8.673 6.366 1.00 0.00 O ATOM 1447 OD2 ASP A 99 98.277 -6.725 5.551 1.00 0.00 O1- ATOM 0 H ASP A 99 93.943 -8.864 6.680 1.00 0.00 H new ATOM 0 HA ASP A 99 96.076 -9.307 6.203 1.00 0.00 H new ATOM 0 HB2 ASP A 99 96.202 -6.694 6.906 1.00 0.00 H new ATOM 0 HB3 ASP A 99 97.139 -7.338 8.240 1.00 0.00 H new ATOM 1452 N HIS A 100 95.630 -10.651 8.788 1.00 0.00 N ATOM 1453 CA HIS A 100 96.069 -11.669 9.748 1.00 0.00 C ATOM 1454 C HIS A 100 96.682 -12.844 8.989 1.00 0.00 C ATOM 1455 O HIS A 100 96.294 -13.124 7.854 1.00 0.00 O ATOM 1456 CB HIS A 100 94.885 -12.159 10.596 1.00 0.00 C ATOM 1457 CG HIS A 100 95.298 -13.323 11.455 1.00 0.00 C ATOM 1458 ND1 HIS A 100 96.560 -13.413 12.021 1.00 0.00 N ATOM 1459 CD2 HIS A 100 94.610 -14.426 11.893 1.00 0.00 C ATOM 1460 CE1 HIS A 100 96.591 -14.535 12.764 1.00 0.00 C ATOM 1461 NE2 HIS A 100 95.427 -15.189 12.721 1.00 0.00 N ATOM 0 H HIS A 100 94.628 -10.643 8.598 1.00 0.00 H new ATOM 0 HA HIS A 100 96.812 -11.231 10.415 1.00 0.00 H new ATOM 0 HB2 HIS A 100 94.520 -11.347 11.225 1.00 0.00 H new ATOM 0 HB3 HIS A 100 94.061 -12.454 9.946 1.00 0.00 H new ATOM 0 HD2 HIS A 100 93.589 -14.666 11.634 1.00 0.00 H new ATOM 0 HE1 HIS A 100 97.452 -14.866 13.326 1.00 0.00 H new ATOM 0 HE2 HIS A 100 95.188 -16.061 13.194 1.00 0.00 H new ATOM 1469 N VAL A 101 97.647 -13.525 9.608 1.00 0.00 N ATOM 1470 CA VAL A 101 98.318 -14.667 8.974 1.00 0.00 C ATOM 1471 C VAL A 101 97.920 -15.961 9.681 1.00 0.00 C ATOM 1472 O VAL A 101 97.868 -16.003 10.910 1.00 0.00 O ATOM 1473 CB VAL A 101 99.843 -14.481 9.056 1.00 0.00 C ATOM 1474 CG1 VAL A 101 100.315 -13.503 7.969 1.00 0.00 C ATOM 1475 CG2 VAL A 101 100.200 -13.924 10.438 1.00 0.00 C ATOM 0 H VAL A 101 97.983 -13.308 10.546 1.00 0.00 H new ATOM 0 HA VAL A 101 98.016 -14.724 7.928 1.00 0.00 H new ATOM 0 HB VAL A 101 100.336 -15.441 8.902 1.00 0.00 H new ATOM 0 HG11 VAL A 101 101.396 -13.379 8.036 1.00 0.00 H new ATOM 0 HG12 VAL A 101 100.055 -13.898 6.987 1.00 0.00 H new ATOM 0 HG13 VAL A 101 99.829 -12.538 8.112 1.00 0.00 H new ATOM 0 HG21 VAL A 101 101.279 -13.788 10.508 1.00 0.00 H new ATOM 0 HG22 VAL A 101 99.703 -12.965 10.583 1.00 0.00 H new ATOM 0 HG23 VAL A 101 99.872 -14.623 11.208 1.00 0.00 H new ATOM 1485 N CYS A 102 97.609 -16.997 8.886 1.00 0.00 N ATOM 1486 CA CYS A 102 97.179 -18.307 9.407 1.00 0.00 C ATOM 1487 C CYS A 102 97.595 -18.519 10.866 1.00 0.00 C ATOM 1488 O CYS A 102 96.900 -18.076 11.780 1.00 0.00 O ATOM 1489 CB CYS A 102 97.770 -19.426 8.544 1.00 0.00 C ATOM 1490 SG CYS A 102 97.282 -19.202 6.814 1.00 0.00 S ATOM 0 H CYS A 102 97.648 -16.952 7.868 1.00 0.00 H new ATOM 0 HA CYS A 102 96.090 -18.330 9.366 1.00 0.00 H new ATOM 0 HB2 CYS A 102 98.857 -19.424 8.627 1.00 0.00 H new ATOM 0 HB3 CYS A 102 97.425 -20.395 8.905 1.00 0.00 H new ATOM 1495 N ASP A 103 98.726 -19.194 11.088 1.00 0.00 N ATOM 1496 CA ASP A 103 99.198 -19.449 12.448 1.00 0.00 C ATOM 1497 C ASP A 103 98.129 -20.194 13.249 1.00 0.00 C ATOM 1498 O ASP A 103 97.301 -19.534 13.855 1.00 0.00 O ATOM 1499 CB ASP A 103 99.559 -18.116 13.145 1.00 0.00 C ATOM 1500 CG ASP A 103 101.030 -17.760 12.921 1.00 0.00 C ATOM 1501 OD1 ASP A 103 101.851 -18.663 12.933 1.00 0.00 O1- ATOM 1502 OD2 ASP A 103 101.315 -16.585 12.755 1.00 0.00 O ATOM 1503 OXT ASP A 103 98.160 -21.413 13.245 1.00 0.00 O ATOM 0 H ASP A 103 99.324 -19.569 10.352 1.00 0.00 H new ATOM 0 HA ASP A 103 100.092 -20.071 12.398 1.00 0.00 H new ATOM 0 HB2 ASP A 103 98.925 -17.317 12.760 1.00 0.00 H new ATOM 0 HB3 ASP A 103 99.359 -18.195 14.214 1.00 0.00 H new TER 1508 ASP A 103