USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 659 hydrogens (20 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 NoAdj-H: A 74 ASN H : A 74 ASN N : A 173 RCY C1L :(H bumps) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1ZB : A 130 RCY C1Z : A 130 RCY O1H :(H bumps) USER MOD NoAdj-H: A 130 RCYH1VA : A 130 RCY C1V : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCY H1L : A 130 RCY C1L : A 130 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 138 RCYH1SA : A 138 RCY C1S : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCYH1YB : A 160 RCY C1Y : A 168 RCY O1G :(H bumps) USER MOD NoAdj-H: A 160 RCYH1VB : A 160 RCY C1V : A 63 ASP O :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCY H1Y : A 160 RCY C1Y : A 168 RCY O1G :(H bumps) USER MOD NoAdj-H: A 160 RCY H1V : A 160 RCY C1V : A 63 ASP O :(H bumps) USER MOD NoAdj-H: A 160 RCY H1L : A 160 RCY C1L : A 63 ASP CB :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCY H1L : A 173 RCY C1L : A 74 ASN N :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 136:sc= -0.198 (180deg=-1.18) USER MOD Single : A 2 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 7 LYS NZ :NH3+ -156:sc= -0.213 (180deg=-1.21!) USER MOD Single : A 12 SER OG : rot -46:sc= 0.235 USER MOD Single : A 14 THR OG1 : rot -39:sc= 0.586 USER MOD Single : A 17 MET CE :methyl 166:sc=-0.000919 (180deg=-0.325) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.519) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -148:sc= -0.22 (180deg=-1.57!) USER MOD Single : A 32 GLN : amide:sc= -5.96! C(o=-6!,f=-11!) USER MOD Single : A 34 GLN : amide:sc= -0.0534 X(o=-0.053,f=-0.11) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.0089) USER MOD Single : A 39 LYS NZ :NH3+ -137:sc= -5.85! (180deg=-6.84!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.103) USER MOD Single : A 44 LYS NZ :NH3+ 157:sc= -0.0395 (180deg=-0.368) USER MOD Single : A 45 LYS NZ :NH3+ 172:sc= -1.58 (180deg=-1.96) USER MOD Single : A 48 GLN : amide:sc= -4.8! C(o=-4.8!,f=-5!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -72:sc= 0.841 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -6.83! C(o=-6.8!,f=-9.4!) USER MOD Single : A 75 HIS : no HE2:sc= -4.01! C(o=-4!,f=-5.1!) USER MOD Single : A 79 HIS : no HD1:sc= -5.93! C(o=-5.9!,f=-7!) USER MOD Single : A 83 GLN :FLIP amide:sc= -1.77! C(o=-2.4!,f=-1.8!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 67.265 -13.610 21.092 1.00 1.00 N ATOM 2 CA MET A 1 66.927 -12.439 21.951 1.00 1.00 C ATOM 3 C MET A 1 65.862 -11.588 21.257 1.00 1.00 C ATOM 4 O MET A 1 65.049 -12.087 20.504 1.00 1.00 O ATOM 5 CB MET A 1 68.184 -11.597 22.181 1.00 1.00 C ATOM 6 CG MET A 1 68.694 -11.065 20.840 1.00 1.00 C ATOM 7 SD MET A 1 70.381 -10.439 21.042 1.00 1.00 S ATOM 8 CE MET A 1 70.437 -9.447 19.530 1.00 1.00 C ATOM 0 H1 MET A 1 68.297 -13.739 21.071 1.00 1.00 H new ATOM 0 H2 MET A 1 66.817 -14.465 21.479 1.00 1.00 H new ATOM 0 H3 MET A 1 66.917 -13.444 20.126 1.00 1.00 H new ATOM 0 HA MET A 1 66.544 -12.789 22.909 1.00 1.00 H new ATOM 0 HB2 MET A 1 67.961 -10.768 22.852 1.00 1.00 H new ATOM 0 HB3 MET A 1 68.955 -12.199 22.662 1.00 1.00 H new ATOM 0 HG2 MET A 1 68.676 -11.857 20.092 1.00 1.00 H new ATOM 0 HG3 MET A 1 68.041 -10.271 20.479 1.00 1.00 H new ATOM 0 HE1 MET A 1 71.409 -8.961 19.450 1.00 1.00 H new ATOM 0 HE2 MET A 1 70.282 -10.092 18.665 1.00 1.00 H new ATOM 0 HE3 MET A 1 69.654 -8.690 19.563 1.00 1.00 H new ATOM 17 N ASN A 2 65.860 -10.306 21.503 1.00 1.00 N ATOM 18 CA ASN A 2 64.847 -9.426 20.856 1.00 1.00 C ATOM 19 C ASN A 2 65.171 -9.283 19.368 1.00 1.00 C ATOM 20 O ASN A 2 65.056 -8.217 18.797 1.00 1.00 O ATOM 21 CB ASN A 2 64.873 -8.046 21.518 1.00 1.00 C ATOM 22 CG ASN A 2 64.552 -8.188 23.007 1.00 1.00 C ATOM 23 OD1 ASN A 2 63.848 -9.096 23.405 1.00 1.00 O ATOM 24 ND2 ASN A 2 65.042 -7.324 23.853 1.00 1.00 N ATOM 0 H ASN A 2 66.516 -9.831 22.123 1.00 1.00 H new ATOM 0 HA ASN A 2 63.857 -9.867 20.972 1.00 1.00 H new ATOM 0 HB2 ASN A 2 65.853 -7.587 21.389 1.00 1.00 H new ATOM 0 HB3 ASN A 2 64.148 -7.388 21.040 1.00 1.00 H new ATOM 0 HD21 ASN A 2 64.834 -7.410 24.848 1.00 1.00 H new ATOM 0 HD22 ASN A 2 65.633 -6.562 23.519 1.00 1.00 H new ATOM 31 N LEU A 3 65.577 -10.350 18.735 1.00 1.00 N ATOM 32 CA LEU A 3 65.909 -10.275 17.284 1.00 1.00 C ATOM 33 C LEU A 3 64.612 -10.178 16.474 1.00 1.00 C ATOM 34 O LEU A 3 64.580 -10.473 15.296 1.00 1.00 O ATOM 35 CB LEU A 3 66.688 -11.535 16.876 1.00 1.00 C ATOM 36 CG LEU A 3 67.805 -11.155 15.902 1.00 1.00 C ATOM 37 CD1 LEU A 3 68.651 -12.390 15.587 1.00 1.00 C ATOM 38 CD2 LEU A 3 67.190 -10.616 14.609 1.00 1.00 C ATOM 0 H LEU A 3 65.693 -11.270 19.160 1.00 1.00 H new ATOM 0 HA LEU A 3 66.522 -9.395 17.088 1.00 1.00 H new ATOM 0 HB2 LEU A 3 67.109 -12.016 17.759 1.00 1.00 H new ATOM 0 HB3 LEU A 3 66.016 -12.256 16.411 1.00 1.00 H new ATOM 0 HG LEU A 3 68.436 -10.389 16.353 1.00 1.00 H new ATOM 0 HD11 LEU A 3 69.447 -12.119 14.893 1.00 1.00 H new ATOM 0 HD12 LEU A 3 69.089 -12.776 16.508 1.00 1.00 H new ATOM 0 HD13 LEU A 3 68.021 -13.157 15.135 1.00 1.00 H new ATOM 0 HD21 LEU A 3 67.984 -10.345 13.914 1.00 1.00 H new ATOM 0 HD22 LEU A 3 66.560 -11.383 14.159 1.00 1.00 H new ATOM 0 HD23 LEU A 3 66.587 -9.736 14.832 1.00 1.00 H new ATOM 50 N GLU A 4 63.542 -9.767 17.098 1.00 1.00 N ATOM 51 CA GLU A 4 62.250 -9.653 16.365 1.00 1.00 C ATOM 52 C GLU A 4 62.386 -8.594 15.260 1.00 1.00 C ATOM 53 O GLU A 4 62.828 -7.491 15.513 1.00 1.00 O ATOM 54 CB GLU A 4 61.151 -9.228 17.343 1.00 1.00 C ATOM 55 CG GLU A 4 59.787 -9.328 16.656 1.00 1.00 C ATOM 56 CD GLU A 4 59.410 -10.800 16.482 1.00 1.00 C ATOM 57 OE1 GLU A 4 60.102 -11.638 17.036 1.00 1.00 O ATOM 58 OE2 GLU A 4 58.436 -11.064 15.797 1.00 1.00 O ATOM 0 H GLU A 4 63.507 -9.505 18.083 1.00 1.00 H new ATOM 0 HA GLU A 4 61.993 -10.614 15.921 1.00 1.00 H new ATOM 0 HB2 GLU A 4 61.171 -9.864 18.228 1.00 1.00 H new ATOM 0 HB3 GLU A 4 61.326 -8.206 17.681 1.00 1.00 H new ATOM 0 HG2 GLU A 4 59.030 -8.816 17.250 1.00 1.00 H new ATOM 0 HG3 GLU A 4 59.820 -8.833 15.686 1.00 1.00 H new ATOM 65 N PRO A 5 62.012 -8.917 14.043 1.00 1.00 N ATOM 66 CA PRO A 5 62.104 -7.959 12.903 1.00 1.00 C ATOM 67 C PRO A 5 61.011 -6.884 12.965 1.00 1.00 C ATOM 68 O PRO A 5 60.008 -7.048 13.630 1.00 1.00 O ATOM 69 CB PRO A 5 61.919 -8.847 11.669 1.00 1.00 C ATOM 70 CG PRO A 5 61.109 -10.007 12.147 1.00 1.00 C ATOM 71 CD PRO A 5 61.464 -10.217 13.622 1.00 1.00 C ATOM 0 HA PRO A 5 63.046 -7.410 12.904 1.00 1.00 H new ATOM 0 HB2 PRO A 5 61.407 -8.311 10.870 1.00 1.00 H new ATOM 0 HB3 PRO A 5 62.879 -9.174 11.270 1.00 1.00 H new ATOM 0 HG2 PRO A 5 60.044 -9.809 12.030 1.00 1.00 H new ATOM 0 HG3 PRO A 5 61.333 -10.901 11.565 1.00 1.00 H new ATOM 0 HD2 PRO A 5 60.587 -10.490 14.209 1.00 1.00 H new ATOM 0 HD3 PRO A 5 62.193 -11.017 13.747 1.00 1.00 H new ATOM 79 N PRO A 6 61.207 -5.791 12.273 1.00 1.00 N ATOM 80 CA PRO A 6 60.223 -4.669 12.246 1.00 1.00 C ATOM 81 C PRO A 6 58.934 -5.051 11.509 1.00 1.00 C ATOM 82 O PRO A 6 58.884 -6.034 10.796 1.00 1.00 O ATOM 83 CB PRO A 6 60.961 -3.549 11.501 1.00 1.00 C ATOM 84 CG PRO A 6 61.996 -4.240 10.676 1.00 1.00 C ATOM 85 CD PRO A 6 62.386 -5.507 11.439 1.00 1.00 C ATOM 0 HA PRO A 6 59.906 -4.382 13.249 1.00 1.00 H new ATOM 0 HB2 PRO A 6 60.277 -2.976 10.875 1.00 1.00 H new ATOM 0 HB3 PRO A 6 61.418 -2.847 12.199 1.00 1.00 H new ATOM 0 HG2 PRO A 6 61.604 -4.487 9.689 1.00 1.00 H new ATOM 0 HG3 PRO A 6 62.863 -3.597 10.523 1.00 1.00 H new ATOM 0 HD2 PRO A 6 62.604 -6.332 10.760 1.00 1.00 H new ATOM 0 HD3 PRO A 6 63.277 -5.350 12.046 1.00 1.00 H new ATOM 93 N LYS A 7 57.892 -4.282 11.676 1.00 1.00 N ATOM 94 CA LYS A 7 56.609 -4.603 10.987 1.00 1.00 C ATOM 95 C LYS A 7 55.793 -3.319 10.806 1.00 1.00 C ATOM 96 O LYS A 7 54.671 -3.213 11.260 1.00 1.00 O ATOM 97 CB LYS A 7 55.815 -5.619 11.825 1.00 1.00 C ATOM 98 CG LYS A 7 56.152 -5.438 13.306 1.00 1.00 C ATOM 99 CD LYS A 7 55.752 -4.031 13.753 1.00 1.00 C ATOM 100 CE LYS A 7 55.875 -3.923 15.274 1.00 1.00 C ATOM 101 NZ LYS A 7 55.025 -4.966 15.916 1.00 1.00 N ATOM 0 H LYS A 7 57.874 -3.446 12.260 1.00 1.00 H new ATOM 0 HA LYS A 7 56.817 -5.035 10.008 1.00 1.00 H new ATOM 0 HB2 LYS A 7 54.746 -5.480 11.665 1.00 1.00 H new ATOM 0 HB3 LYS A 7 56.056 -6.634 11.508 1.00 1.00 H new ATOM 0 HG2 LYS A 7 55.627 -6.184 13.903 1.00 1.00 H new ATOM 0 HG3 LYS A 7 57.219 -5.593 13.469 1.00 1.00 H new ATOM 0 HD2 LYS A 7 56.391 -3.290 13.273 1.00 1.00 H new ATOM 0 HD3 LYS A 7 54.729 -3.817 13.444 1.00 1.00 H new ATOM 0 HE2 LYS A 7 56.915 -4.050 15.575 1.00 1.00 H new ATOM 0 HE3 LYS A 7 55.566 -2.932 15.605 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 54.777 -4.666 16.880 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 54.156 -5.097 15.360 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 55.548 -5.864 15.957 1.00 1.00 H new ATOM 115 N ALA A 8 56.348 -2.342 10.143 1.00 1.00 N ATOM 116 CA ALA A 8 55.604 -1.068 9.933 1.00 1.00 C ATOM 117 C ALA A 8 56.335 -0.215 8.895 1.00 1.00 C ATOM 118 O ALA A 8 57.340 -0.617 8.344 1.00 1.00 O ATOM 119 CB ALA A 8 55.520 -0.302 11.255 1.00 1.00 C ATOM 0 H ALA A 8 57.284 -2.371 9.738 1.00 1.00 H new ATOM 0 HA ALA A 8 54.598 -1.290 9.577 1.00 1.00 H new ATOM 0 HB1 ALA A 8 54.976 0.630 11.102 1.00 1.00 H new ATOM 0 HB2 ALA A 8 54.998 -0.909 11.995 1.00 1.00 H new ATOM 0 HB3 ALA A 8 56.526 -0.080 11.612 1.00 1.00 H new ATOM 125 N GLU A 9 55.837 0.960 8.624 1.00 1.00 N ATOM 126 CA GLU A 9 56.505 1.838 7.622 1.00 1.00 C ATOM 127 C GLU A 9 56.604 1.101 6.284 1.00 1.00 C ATOM 128 O GLU A 9 57.257 1.550 5.363 1.00 1.00 O ATOM 129 CB GLU A 9 57.910 2.197 8.117 1.00 1.00 C ATOM 130 CG GLU A 9 58.403 3.451 7.393 1.00 1.00 C ATOM 131 CD GLU A 9 59.754 3.878 7.971 1.00 1.00 C ATOM 132 OE1 GLU A 9 59.827 4.069 9.174 1.00 1.00 O ATOM 133 OE2 GLU A 9 60.692 4.006 7.202 1.00 1.00 O ATOM 0 H GLU A 9 54.997 1.350 9.052 1.00 1.00 H new ATOM 0 HA GLU A 9 55.923 2.750 7.490 1.00 1.00 H new ATOM 0 HB2 GLU A 9 57.895 2.368 9.193 1.00 1.00 H new ATOM 0 HB3 GLU A 9 58.594 1.368 7.936 1.00 1.00 H new ATOM 0 HG2 GLU A 9 58.499 3.253 6.325 1.00 1.00 H new ATOM 0 HG3 GLU A 9 57.677 4.257 7.504 1.00 1.00 H new ATOM 140 N CYS A 10 55.961 -0.029 6.168 1.00 1.00 N ATOM 141 CA CYS A 10 56.023 -0.790 4.889 1.00 1.00 C ATOM 142 C CYS A 10 54.952 -1.883 4.890 1.00 1.00 C ATOM 143 O CYS A 10 55.118 -2.927 5.489 1.00 1.00 O ATOM 144 CB CYS A 10 57.406 -1.430 4.744 1.00 1.00 C ATOM 145 SG CYS A 10 57.740 -2.476 6.183 1.00 1.00 S ATOM 0 H CYS A 10 55.397 -0.457 6.902 1.00 1.00 H new ATOM 0 HA CYS A 10 55.846 -0.112 4.054 1.00 1.00 H new ATOM 0 HB2 CYS A 10 57.450 -2.024 3.831 1.00 1.00 H new ATOM 0 HB3 CYS A 10 58.169 -0.657 4.658 1.00 1.00 H new ATOM 150 N ARG A 11 53.855 -1.652 4.220 1.00 1.00 N ATOM 151 CA ARG A 11 52.774 -2.678 4.180 1.00 1.00 C ATOM 152 C ARG A 11 53.032 -3.639 3.017 1.00 1.00 C ATOM 153 O ARG A 11 52.198 -3.821 2.153 1.00 1.00 O ATOM 154 CB ARG A 11 51.422 -1.988 3.982 1.00 1.00 C ATOM 155 CG ARG A 11 50.948 -1.401 5.313 1.00 1.00 C ATOM 156 CD ARG A 11 51.975 -0.386 5.818 1.00 1.00 C ATOM 157 NE ARG A 11 51.347 0.485 6.851 1.00 1.00 N ATOM 158 CZ ARG A 11 51.123 0.017 8.049 1.00 1.00 C ATOM 159 NH1 ARG A 11 51.450 -1.212 8.342 1.00 1.00 N ATOM 160 NH2 ARG A 11 50.573 0.780 8.954 1.00 1.00 N ATOM 0 H ARG A 11 53.661 -0.797 3.699 1.00 1.00 H new ATOM 0 HA ARG A 11 52.763 -3.234 5.118 1.00 1.00 H new ATOM 0 HB2 ARG A 11 51.511 -1.199 3.235 1.00 1.00 H new ATOM 0 HB3 ARG A 11 50.689 -2.702 3.606 1.00 1.00 H new ATOM 0 HG2 ARG A 11 49.978 -0.920 5.186 1.00 1.00 H new ATOM 0 HG3 ARG A 11 50.816 -2.196 6.047 1.00 1.00 H new ATOM 0 HD2 ARG A 11 52.837 -0.904 6.239 1.00 1.00 H new ATOM 0 HD3 ARG A 11 52.341 0.220 4.989 1.00 1.00 H new ATOM 0 HE ARG A 11 51.092 1.446 6.622 1.00 1.00 H new ATOM 0 HH11 ARG A 11 51.881 -1.808 7.635 1.00 1.00 H new ATOM 0 HH12 ARG A 11 51.275 -1.577 9.278 1.00 1.00 H new ATOM 0 HH21 ARG A 11 50.319 1.741 8.725 1.00 1.00 H new ATOM 0 HH22 ARG A 11 50.398 0.415 9.890 1.00 1.00 H new ATOM 174 N SER A 12 54.182 -4.256 2.988 1.00 1.00 N ATOM 175 CA SER A 12 54.494 -5.204 1.881 1.00 1.00 C ATOM 176 C SER A 12 54.349 -4.486 0.537 1.00 1.00 C ATOM 177 O SER A 12 54.463 -5.086 -0.513 1.00 1.00 O ATOM 178 CB SER A 12 53.526 -6.386 1.933 1.00 1.00 C ATOM 179 OG SER A 12 54.026 -7.438 1.119 1.00 1.00 O ATOM 0 H SER A 12 54.919 -4.144 3.684 1.00 1.00 H new ATOM 0 HA SER A 12 55.516 -5.566 1.992 1.00 1.00 H new ATOM 0 HB2 SER A 12 53.409 -6.730 2.961 1.00 1.00 H new ATOM 0 HB3 SER A 12 52.540 -6.079 1.585 1.00 1.00 H new ATOM 0 HG SER A 12 54.314 -7.075 0.255 1.00 1.00 H new ATOM 185 N ALA A 13 54.098 -3.205 0.562 1.00 1.00 N ATOM 186 CA ALA A 13 53.945 -2.451 -0.714 1.00 1.00 C ATOM 187 C ALA A 13 53.004 -3.213 -1.649 1.00 1.00 C ATOM 188 O ALA A 13 52.272 -4.088 -1.229 1.00 1.00 O ATOM 189 CB ALA A 13 55.313 -2.297 -1.383 1.00 1.00 C ATOM 0 H ALA A 13 53.992 -2.649 1.410 1.00 1.00 H new ATOM 0 HA ALA A 13 53.529 -1.465 -0.505 1.00 1.00 H new ATOM 0 HB1 ALA A 13 55.201 -1.745 -2.317 1.00 1.00 H new ATOM 0 HB2 ALA A 13 55.984 -1.753 -0.718 1.00 1.00 H new ATOM 0 HB3 ALA A 13 55.729 -3.283 -1.591 1.00 1.00 H new ATOM 195 N THR A 14 53.015 -2.889 -2.912 1.00 1.00 N ATOM 196 CA THR A 14 52.119 -3.596 -3.869 1.00 1.00 C ATOM 197 C THR A 14 52.620 -3.376 -5.298 1.00 1.00 C ATOM 198 O THR A 14 52.198 -4.041 -6.223 1.00 1.00 O ATOM 199 CB THR A 14 50.697 -3.046 -3.737 1.00 1.00 C ATOM 200 OG1 THR A 14 50.313 -3.057 -2.370 1.00 1.00 O ATOM 201 CG2 THR A 14 49.734 -3.916 -4.547 1.00 1.00 C ATOM 0 H THR A 14 53.605 -2.166 -3.323 1.00 1.00 H new ATOM 0 HA THR A 14 52.119 -4.663 -3.645 1.00 1.00 H new ATOM 0 HB THR A 14 50.665 -2.024 -4.116 1.00 1.00 H new ATOM 0 HG1 THR A 14 50.655 -3.869 -1.941 1.00 1.00 H new ATOM 0 HG21 THR A 14 48.722 -3.523 -4.452 1.00 1.00 H new ATOM 0 HG22 THR A 14 50.030 -3.907 -5.596 1.00 1.00 H new ATOM 0 HG23 THR A 14 49.763 -4.939 -4.171 1.00 1.00 H new ATOM 209 N ARG A 15 53.519 -2.449 -5.486 1.00 1.00 N ATOM 210 CA ARG A 15 54.045 -2.190 -6.856 1.00 1.00 C ATOM 211 C ARG A 15 55.307 -1.329 -6.765 1.00 1.00 C ATOM 212 O ARG A 15 55.298 -0.254 -6.198 1.00 1.00 O ATOM 213 CB ARG A 15 52.984 -1.455 -7.678 1.00 1.00 C ATOM 214 CG ARG A 15 53.407 -1.425 -9.148 1.00 1.00 C ATOM 215 CD ARG A 15 52.551 -0.409 -9.906 1.00 1.00 C ATOM 216 NE ARG A 15 52.739 0.943 -9.307 1.00 1.00 N ATOM 217 CZ ARG A 15 51.862 1.884 -9.532 1.00 1.00 C ATOM 218 NH1 ARG A 15 50.821 1.640 -10.280 1.00 1.00 N ATOM 219 NH2 ARG A 15 52.027 3.068 -9.008 1.00 1.00 N ATOM 0 H ARG A 15 53.912 -1.861 -4.751 1.00 1.00 H new ATOM 0 HA ARG A 15 54.287 -3.138 -7.337 1.00 1.00 H new ATOM 0 HB2 ARG A 15 52.020 -1.954 -7.576 1.00 1.00 H new ATOM 0 HB3 ARG A 15 52.858 -0.439 -7.304 1.00 1.00 H new ATOM 0 HG2 ARG A 15 54.461 -1.160 -9.228 1.00 1.00 H new ATOM 0 HG3 ARG A 15 53.293 -2.415 -9.590 1.00 1.00 H new ATOM 0 HD2 ARG A 15 52.832 -0.394 -10.959 1.00 1.00 H new ATOM 0 HD3 ARG A 15 51.500 -0.696 -9.860 1.00 1.00 H new ATOM 0 HE ARG A 15 53.552 1.133 -8.722 1.00 1.00 H new ATOM 0 HH11 ARG A 15 50.692 0.714 -10.689 1.00 1.00 H new ATOM 0 HH12 ARG A 15 50.136 2.375 -10.456 1.00 1.00 H new ATOM 0 HH21 ARG A 15 52.841 3.258 -8.423 1.00 1.00 H new ATOM 0 HH22 ARG A 15 51.342 3.803 -9.184 1.00 1.00 H new ATOM 233 N VAL A 16 56.393 -1.792 -7.323 1.00 1.00 N ATOM 234 CA VAL A 16 57.656 -1.001 -7.273 1.00 1.00 C ATOM 235 C VAL A 16 58.516 -1.350 -8.493 1.00 1.00 C ATOM 236 O VAL A 16 59.279 -2.296 -8.483 1.00 1.00 O ATOM 237 CB VAL A 16 58.413 -1.327 -5.978 1.00 1.00 C ATOM 238 CG1 VAL A 16 58.358 -2.834 -5.719 1.00 1.00 C ATOM 239 CG2 VAL A 16 59.872 -0.888 -6.118 1.00 1.00 C ATOM 0 H VAL A 16 56.460 -2.685 -7.812 1.00 1.00 H new ATOM 0 HA VAL A 16 57.429 0.065 -7.289 1.00 1.00 H new ATOM 0 HB VAL A 16 57.951 -0.798 -5.144 1.00 1.00 H new ATOM 0 HG11 VAL A 16 58.896 -3.065 -4.799 1.00 1.00 H new ATOM 0 HG12 VAL A 16 57.319 -3.149 -5.621 1.00 1.00 H new ATOM 0 HG13 VAL A 16 58.820 -3.363 -6.552 1.00 1.00 H new ATOM 0 HG21 VAL A 16 60.411 -1.119 -5.199 1.00 1.00 H new ATOM 0 HG22 VAL A 16 60.333 -1.417 -6.952 1.00 1.00 H new ATOM 0 HG23 VAL A 16 59.913 0.185 -6.303 1.00 1.00 H new ATOM 249 N MET A 17 58.395 -0.593 -9.549 1.00 1.00 N ATOM 250 CA MET A 17 59.199 -0.879 -10.769 1.00 1.00 C ATOM 251 C MET A 17 59.035 0.270 -11.766 1.00 1.00 C ATOM 252 O MET A 17 58.005 0.419 -12.392 1.00 1.00 O ATOM 253 CB MET A 17 58.711 -2.182 -11.407 1.00 1.00 C ATOM 254 CG MET A 17 59.531 -2.474 -12.665 1.00 1.00 C ATOM 255 SD MET A 17 59.311 -4.207 -13.140 1.00 1.00 S ATOM 256 CE MET A 17 57.603 -4.068 -13.720 1.00 1.00 C ATOM 0 H MET A 17 57.773 0.212 -9.619 1.00 1.00 H new ATOM 0 HA MET A 17 60.250 -0.979 -10.498 1.00 1.00 H new ATOM 0 HB2 MET A 17 58.808 -3.005 -10.698 1.00 1.00 H new ATOM 0 HB3 MET A 17 57.654 -2.102 -11.660 1.00 1.00 H new ATOM 0 HG2 MET A 17 59.215 -1.820 -13.478 1.00 1.00 H new ATOM 0 HG3 MET A 17 60.585 -2.267 -12.481 1.00 1.00 H new ATOM 0 HE1 MET A 17 57.338 -4.959 -14.289 1.00 1.00 H new ATOM 0 HE2 MET A 17 56.935 -3.972 -12.864 1.00 1.00 H new ATOM 0 HE3 MET A 17 57.505 -3.189 -14.357 1.00 1.00 H new ATOM 266 N GLY A 18 60.042 1.085 -11.916 1.00 1.00 N ATOM 267 CA GLY A 18 59.941 2.226 -12.870 1.00 1.00 C ATOM 268 C GLY A 18 60.186 1.726 -14.296 1.00 1.00 C ATOM 269 O GLY A 18 60.193 0.540 -14.555 1.00 1.00 O ATOM 0 H GLY A 18 60.930 1.011 -11.420 1.00 1.00 H new ATOM 0 HA2 GLY A 18 58.955 2.686 -12.799 1.00 1.00 H new ATOM 0 HA3 GLY A 18 60.670 2.994 -12.613 1.00 1.00 H new ATOM 273 N GLY A 19 60.386 2.625 -15.222 1.00 1.00 N ATOM 274 CA GLY A 19 60.630 2.205 -16.631 1.00 1.00 C ATOM 275 C GLY A 19 61.827 1.252 -16.681 1.00 1.00 C ATOM 276 O GLY A 19 62.228 0.696 -15.679 1.00 1.00 O ATOM 0 H GLY A 19 60.391 3.633 -15.063 1.00 1.00 H new ATOM 0 HA2 GLY A 19 59.744 1.714 -17.034 1.00 1.00 H new ATOM 0 HA3 GLY A 19 60.821 3.079 -17.254 1.00 1.00 H new ATOM 280 N PRO A 20 62.392 1.064 -17.844 1.00 1.00 N ATOM 281 CA PRO A 20 63.563 0.160 -18.033 1.00 1.00 C ATOM 282 C PRO A 20 64.660 0.406 -16.990 1.00 1.00 C ATOM 283 O PRO A 20 64.513 1.225 -16.105 1.00 1.00 O ATOM 284 CB PRO A 20 64.062 0.504 -19.439 1.00 1.00 C ATOM 285 CG PRO A 20 62.863 1.022 -20.161 1.00 1.00 C ATOM 286 CD PRO A 20 61.975 1.691 -19.109 1.00 1.00 C ATOM 0 HA PRO A 20 63.292 -0.889 -17.915 1.00 1.00 H new ATOM 0 HB2 PRO A 20 64.855 1.251 -19.404 1.00 1.00 H new ATOM 0 HB3 PRO A 20 64.473 -0.374 -19.937 1.00 1.00 H new ATOM 0 HG2 PRO A 20 63.153 1.735 -20.933 1.00 1.00 H new ATOM 0 HG3 PRO A 20 62.331 0.212 -20.659 1.00 1.00 H new ATOM 0 HD2 PRO A 20 62.124 2.771 -19.088 1.00 1.00 H new ATOM 0 HD3 PRO A 20 60.918 1.519 -19.311 1.00 1.00 H new ATOM 294 N CYS A 21 65.755 -0.302 -17.090 1.00 1.00 N ATOM 295 CA CYS A 21 66.863 -0.119 -16.108 1.00 1.00 C ATOM 296 C CYS A 21 68.145 0.264 -16.853 1.00 1.00 C ATOM 297 O CYS A 21 68.842 -0.578 -17.382 1.00 1.00 O ATOM 298 CB CYS A 21 67.085 -1.428 -15.343 1.00 1.00 C ATOM 299 SG CYS A 21 67.719 -1.060 -13.688 1.00 1.00 S ATOM 0 H CYS A 21 65.929 -1.001 -17.812 1.00 1.00 H new ATOM 0 HA CYS A 21 66.602 0.672 -15.405 1.00 1.00 H new ATOM 0 HB2 CYS A 21 66.149 -1.982 -15.271 1.00 1.00 H new ATOM 0 HB3 CYS A 21 67.790 -2.061 -15.882 1.00 1.00 H new ATOM 304 N THR A 22 68.459 1.532 -16.899 1.00 1.00 N ATOM 305 CA THR A 22 69.694 1.973 -17.610 1.00 1.00 C ATOM 306 C THR A 22 70.336 3.136 -16.843 1.00 1.00 C ATOM 307 O THR A 22 69.942 4.275 -16.998 1.00 1.00 O ATOM 308 CB THR A 22 69.323 2.443 -19.019 1.00 1.00 C ATOM 309 OG1 THR A 22 70.308 3.354 -19.487 1.00 1.00 O ATOM 310 CG2 THR A 22 67.959 3.135 -18.986 1.00 1.00 C ATOM 0 H THR A 22 67.913 2.282 -16.474 1.00 1.00 H new ATOM 0 HA THR A 22 70.397 1.143 -17.671 1.00 1.00 H new ATOM 0 HB THR A 22 69.275 1.584 -19.688 1.00 1.00 H new ATOM 0 HG1 THR A 22 70.073 3.655 -20.389 1.00 1.00 H new ATOM 0 HG21 THR A 22 67.696 3.469 -19.990 1.00 1.00 H new ATOM 0 HG22 THR A 22 67.204 2.435 -18.627 1.00 1.00 H new ATOM 0 HG23 THR A 22 68.003 3.995 -18.317 1.00 1.00 H new ATOM 318 N PRO A 23 71.322 2.856 -16.025 1.00 1.00 N ATOM 319 CA PRO A 23 72.030 3.905 -15.230 1.00 1.00 C ATOM 320 C PRO A 23 72.579 5.033 -16.113 1.00 1.00 C ATOM 321 O PRO A 23 71.982 5.408 -17.102 1.00 1.00 O ATOM 322 CB PRO A 23 73.180 3.148 -14.553 1.00 1.00 C ATOM 323 CG PRO A 23 72.757 1.716 -14.539 1.00 1.00 C ATOM 324 CD PRO A 23 71.865 1.514 -15.765 1.00 1.00 C ATOM 0 HA PRO A 23 71.358 4.393 -14.524 1.00 1.00 H new ATOM 0 HB2 PRO A 23 74.113 3.277 -15.102 1.00 1.00 H new ATOM 0 HB3 PRO A 23 73.352 3.517 -13.542 1.00 1.00 H new ATOM 0 HG2 PRO A 23 73.623 1.055 -14.577 1.00 1.00 H new ATOM 0 HG3 PRO A 23 72.216 1.480 -13.623 1.00 1.00 H new ATOM 0 HD2 PRO A 23 72.433 1.140 -16.617 1.00 1.00 H new ATOM 0 HD3 PRO A 23 71.072 0.792 -15.569 1.00 1.00 H new ATOM 332 N ARG A 24 73.713 5.574 -15.759 1.00 1.00 N ATOM 333 CA ARG A 24 74.301 6.675 -16.574 1.00 1.00 C ATOM 334 C ARG A 24 75.755 6.898 -16.153 1.00 1.00 C ATOM 335 O ARG A 24 76.344 6.086 -15.467 1.00 1.00 O ATOM 336 CB ARG A 24 73.501 7.960 -16.351 1.00 1.00 C ATOM 337 CG ARG A 24 73.244 8.148 -14.855 1.00 1.00 C ATOM 338 CD ARG A 24 72.628 9.528 -14.612 1.00 1.00 C ATOM 339 NE ARG A 24 71.218 9.533 -15.092 1.00 1.00 N ATOM 340 CZ ARG A 24 70.950 9.862 -16.326 1.00 1.00 C ATOM 341 NH1 ARG A 24 71.918 10.185 -17.140 1.00 1.00 N ATOM 342 NH2 ARG A 24 69.715 9.867 -16.747 1.00 1.00 N ATOM 0 H ARG A 24 74.258 5.301 -14.941 1.00 1.00 H new ATOM 0 HA ARG A 24 74.265 6.406 -17.630 1.00 1.00 H new ATOM 0 HB2 ARG A 24 74.049 8.815 -16.747 1.00 1.00 H new ATOM 0 HB3 ARG A 24 72.555 7.910 -16.890 1.00 1.00 H new ATOM 0 HG2 ARG A 24 72.574 7.370 -14.490 1.00 1.00 H new ATOM 0 HG3 ARG A 24 74.177 8.052 -14.300 1.00 1.00 H new ATOM 0 HD2 ARG A 24 72.663 9.772 -13.550 1.00 1.00 H new ATOM 0 HD3 ARG A 24 73.204 10.292 -15.134 1.00 1.00 H new ATOM 0 HE ARG A 24 70.462 9.279 -14.456 1.00 1.00 H new ATOM 0 HH11 ARG A 24 72.884 10.180 -16.811 1.00 1.00 H new ATOM 0 HH12 ARG A 24 71.709 10.442 -18.105 1.00 1.00 H new ATOM 0 HH21 ARG A 24 68.959 9.614 -16.111 1.00 1.00 H new ATOM 0 HH22 ARG A 24 69.506 10.124 -17.712 1.00 1.00 H new ATOM 356 N LYS A 25 76.340 7.992 -16.558 1.00 1.00 N ATOM 357 CA LYS A 25 77.756 8.264 -16.180 1.00 1.00 C ATOM 358 C LYS A 25 77.820 8.687 -14.711 1.00 1.00 C ATOM 359 O LYS A 25 78.640 8.208 -13.952 1.00 1.00 O ATOM 360 CB LYS A 25 78.313 9.388 -17.057 1.00 1.00 C ATOM 361 CG LYS A 25 78.071 9.055 -18.530 1.00 1.00 C ATOM 362 CD LYS A 25 78.873 7.808 -18.910 1.00 1.00 C ATOM 363 CE LYS A 25 79.050 7.757 -20.429 1.00 1.00 C ATOM 364 NZ LYS A 25 77.749 8.059 -21.091 1.00 1.00 N ATOM 0 H LYS A 25 75.899 8.709 -17.134 1.00 1.00 H new ATOM 0 HA LYS A 25 78.349 7.361 -16.326 1.00 1.00 H new ATOM 0 HB2 LYS A 25 77.833 10.333 -16.803 1.00 1.00 H new ATOM 0 HB3 LYS A 25 79.380 9.513 -16.872 1.00 1.00 H new ATOM 0 HG2 LYS A 25 77.009 8.885 -18.706 1.00 1.00 H new ATOM 0 HG3 LYS A 25 78.367 9.896 -19.157 1.00 1.00 H new ATOM 0 HD2 LYS A 25 79.847 7.826 -18.420 1.00 1.00 H new ATOM 0 HD3 LYS A 25 78.358 6.912 -18.563 1.00 1.00 H new ATOM 0 HE2 LYS A 25 79.806 8.478 -20.742 1.00 1.00 H new ATOM 0 HE3 LYS A 25 79.404 6.772 -20.732 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 77.766 7.704 -22.069 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 76.978 7.596 -20.568 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 77.594 9.087 -21.099 1.00 1.00 H new ATOM 378 N GLY A 26 76.963 9.582 -14.305 1.00 1.00 N ATOM 379 CA GLY A 26 76.974 10.038 -12.885 1.00 1.00 C ATOM 380 C GLY A 26 78.276 10.792 -12.602 1.00 1.00 C ATOM 381 O GLY A 26 79.132 10.903 -13.457 1.00 1.00 O ATOM 0 H GLY A 26 76.254 10.018 -14.895 1.00 1.00 H new ATOM 0 HA2 GLY A 26 76.118 10.684 -12.693 1.00 1.00 H new ATOM 0 HA3 GLY A 26 76.884 9.182 -12.216 1.00 1.00 H new ATOM 385 N PRO A 27 78.425 11.309 -11.409 1.00 1.00 N ATOM 386 CA PRO A 27 79.647 12.070 -11.011 1.00 1.00 C ATOM 387 C PRO A 27 80.922 11.212 -11.100 1.00 1.00 C ATOM 388 O PRO A 27 81.037 10.203 -10.433 1.00 1.00 O ATOM 389 CB PRO A 27 79.382 12.466 -9.548 1.00 1.00 C ATOM 390 CG PRO A 27 77.910 12.315 -9.344 1.00 1.00 C ATOM 391 CD PRO A 27 77.446 11.229 -10.315 1.00 1.00 C ATOM 0 HA PRO A 27 79.818 12.921 -11.670 1.00 1.00 H new ATOM 0 HB2 PRO A 27 79.939 11.827 -8.863 1.00 1.00 H new ATOM 0 HB3 PRO A 27 79.700 13.491 -9.357 1.00 1.00 H new ATOM 0 HG2 PRO A 27 77.688 12.035 -8.314 1.00 1.00 H new ATOM 0 HG3 PRO A 27 77.393 13.255 -9.538 1.00 1.00 H new ATOM 0 HD2 PRO A 27 77.446 10.245 -9.847 1.00 1.00 H new ATOM 0 HD3 PRO A 27 76.432 11.413 -10.669 1.00 1.00 H new ATOM 399 N PRO A 28 81.882 11.614 -11.901 1.00 1.00 N ATOM 400 CA PRO A 28 83.167 10.867 -12.046 1.00 1.00 C ATOM 401 C PRO A 28 83.838 10.599 -10.693 1.00 1.00 C ATOM 402 O PRO A 28 83.478 11.183 -9.694 1.00 1.00 O ATOM 403 CB PRO A 28 84.043 11.792 -12.900 1.00 1.00 C ATOM 404 CG PRO A 28 83.087 12.671 -13.637 1.00 1.00 C ATOM 405 CD PRO A 28 81.847 12.814 -12.752 1.00 1.00 C ATOM 0 HA PRO A 28 83.010 9.885 -12.493 1.00 1.00 H new ATOM 0 HB2 PRO A 28 84.718 12.380 -12.278 1.00 1.00 H new ATOM 0 HB3 PRO A 28 84.663 11.220 -13.590 1.00 1.00 H new ATOM 0 HG2 PRO A 28 83.533 13.645 -13.838 1.00 1.00 H new ATOM 0 HG3 PRO A 28 82.826 12.235 -14.601 1.00 1.00 H new ATOM 0 HD2 PRO A 28 81.883 13.727 -12.158 1.00 1.00 H new ATOM 0 HD3 PRO A 28 80.934 12.856 -13.346 1.00 1.00 H new ATOM 413 N LYS A 29 84.810 9.717 -10.673 1.00 1.00 N ATOM 414 CA LYS A 29 85.543 9.376 -9.408 1.00 1.00 C ATOM 415 C LYS A 29 84.908 8.148 -8.760 1.00 1.00 C ATOM 416 O LYS A 29 83.738 7.872 -8.938 1.00 1.00 O ATOM 417 CB LYS A 29 85.521 10.544 -8.411 1.00 1.00 C ATOM 418 CG LYS A 29 85.997 11.825 -9.100 1.00 1.00 C ATOM 419 CD LYS A 29 87.358 12.234 -8.533 1.00 1.00 C ATOM 420 CE LYS A 29 87.836 13.512 -9.225 1.00 1.00 C ATOM 421 NZ LYS A 29 87.213 14.695 -8.568 1.00 1.00 N ATOM 0 H LYS A 29 85.133 9.209 -11.496 1.00 1.00 H new ATOM 0 HA LYS A 29 86.581 9.169 -9.669 1.00 1.00 H new ATOM 0 HB2 LYS A 29 84.512 10.683 -8.022 1.00 1.00 H new ATOM 0 HB3 LYS A 29 86.163 10.319 -7.559 1.00 1.00 H new ATOM 0 HG2 LYS A 29 86.072 11.666 -10.176 1.00 1.00 H new ATOM 0 HG3 LYS A 29 85.272 12.624 -8.946 1.00 1.00 H new ATOM 0 HD2 LYS A 29 87.282 12.397 -7.458 1.00 1.00 H new ATOM 0 HD3 LYS A 29 88.082 11.433 -8.684 1.00 1.00 H new ATOM 0 HE2 LYS A 29 88.922 13.583 -9.171 1.00 1.00 H new ATOM 0 HE3 LYS A 29 87.570 13.487 -10.282 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 87.538 15.564 -9.038 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 86.178 14.628 -8.641 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 87.488 14.720 -7.565 1.00 1.00 H new ATOM 435 N CYS A 30 85.677 7.404 -8.011 1.00 1.00 N ATOM 436 CA CYS A 30 85.128 6.187 -7.350 1.00 1.00 C ATOM 437 C CYS A 30 84.745 5.160 -8.417 1.00 1.00 C ATOM 438 O CYS A 30 84.198 4.116 -8.120 1.00 1.00 O ATOM 439 CB CYS A 30 83.889 6.563 -6.532 1.00 1.00 C ATOM 440 SG CYS A 30 84.098 8.227 -5.851 1.00 1.00 S ATOM 0 H CYS A 30 86.664 7.588 -7.829 1.00 1.00 H new ATOM 0 HA CYS A 30 85.881 5.761 -6.688 1.00 1.00 H new ATOM 0 HB2 CYS A 30 83.000 6.525 -7.161 1.00 1.00 H new ATOM 0 HB3 CYS A 30 83.740 5.845 -5.726 1.00 1.00 H new ATOM 445 N LYS A 31 85.030 5.451 -9.659 1.00 1.00 N ATOM 446 CA LYS A 31 84.686 4.500 -10.757 1.00 1.00 C ATOM 447 C LYS A 31 85.970 3.895 -11.328 1.00 1.00 C ATOM 448 O LYS A 31 85.938 3.096 -12.243 1.00 1.00 O ATOM 449 CB LYS A 31 83.943 5.252 -11.862 1.00 1.00 C ATOM 450 CG LYS A 31 84.834 6.369 -12.408 1.00 1.00 C ATOM 451 CD LYS A 31 84.012 7.275 -13.327 1.00 1.00 C ATOM 452 CE LYS A 31 83.908 6.637 -14.713 1.00 1.00 C ATOM 453 NZ LYS A 31 85.275 6.429 -15.268 1.00 1.00 N ATOM 0 H LYS A 31 85.488 6.311 -9.961 1.00 1.00 H new ATOM 0 HA LYS A 31 84.052 3.704 -10.366 1.00 1.00 H new ATOM 0 HB2 LYS A 31 83.670 4.566 -12.664 1.00 1.00 H new ATOM 0 HB3 LYS A 31 83.015 5.671 -11.471 1.00 1.00 H new ATOM 0 HG2 LYS A 31 85.252 6.950 -11.586 1.00 1.00 H new ATOM 0 HG3 LYS A 31 85.674 5.943 -12.956 1.00 1.00 H new ATOM 0 HD2 LYS A 31 83.017 7.427 -12.910 1.00 1.00 H new ATOM 0 HD3 LYS A 31 84.480 8.257 -13.401 1.00 1.00 H new ATOM 0 HE2 LYS A 31 83.382 5.685 -14.648 1.00 1.00 H new ATOM 0 HE3 LYS A 31 83.328 7.277 -15.377 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 85.248 6.526 -16.303 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 85.923 7.139 -14.871 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 85.610 5.477 -15.018 1.00 1.00 H new ATOM 467 N GLN A 32 87.102 4.272 -10.798 1.00 1.00 N ATOM 468 CA GLN A 32 88.387 3.720 -11.312 1.00 1.00 C ATOM 469 C GLN A 32 88.445 2.215 -11.036 1.00 1.00 C ATOM 470 O GLN A 32 89.454 1.575 -11.253 1.00 1.00 O ATOM 471 CB GLN A 32 89.559 4.414 -10.609 1.00 1.00 C ATOM 472 CG GLN A 32 89.850 5.749 -11.297 1.00 1.00 C ATOM 473 CD GLN A 32 88.645 6.678 -11.140 1.00 1.00 C ATOM 474 OE1 GLN A 32 87.605 6.449 -11.726 1.00 1.00 O ATOM 475 NE2 GLN A 32 88.740 7.725 -10.366 1.00 1.00 N ATOM 0 H GLN A 32 87.192 4.939 -10.031 1.00 1.00 H new ATOM 0 HA GLN A 32 88.452 3.894 -12.386 1.00 1.00 H new ATOM 0 HB2 GLN A 32 89.320 4.579 -9.558 1.00 1.00 H new ATOM 0 HB3 GLN A 32 90.443 3.777 -10.639 1.00 1.00 H new ATOM 0 HG2 GLN A 32 90.737 6.209 -10.861 1.00 1.00 H new ATOM 0 HG3 GLN A 32 90.062 5.587 -12.354 1.00 1.00 H new ATOM 0 HE21 GLN A 32 89.612 7.918 -9.874 1.00 1.00 H new ATOM 0 HE22 GLN A 32 87.942 8.350 -10.253 1.00 1.00 H new ATOM 484 N ARG A 33 87.373 1.645 -10.557 1.00 1.00 N ATOM 485 CA ARG A 33 87.377 0.184 -10.269 1.00 1.00 C ATOM 486 C ARG A 33 88.557 -0.147 -9.355 1.00 1.00 C ATOM 487 O ARG A 33 89.190 -1.176 -9.485 1.00 1.00 O ATOM 488 CB ARG A 33 87.510 -0.592 -11.582 1.00 1.00 C ATOM 489 CG ARG A 33 87.039 -2.033 -11.376 1.00 1.00 C ATOM 490 CD ARG A 33 87.155 -2.802 -12.694 1.00 1.00 C ATOM 491 NE ARG A 33 86.300 -2.150 -13.726 1.00 1.00 N ATOM 492 CZ ARG A 33 85.922 -2.822 -14.779 1.00 1.00 C ATOM 493 NH1 ARG A 33 86.293 -4.064 -14.928 1.00 1.00 N ATOM 494 NH2 ARG A 33 85.173 -2.251 -15.683 1.00 1.00 N ATOM 0 H ARG A 33 86.497 2.127 -10.353 1.00 1.00 H new ATOM 0 HA ARG A 33 86.446 -0.096 -9.776 1.00 1.00 H new ATOM 0 HB2 ARG A 33 86.917 -0.113 -12.361 1.00 1.00 H new ATOM 0 HB3 ARG A 33 88.547 -0.582 -11.919 1.00 1.00 H new ATOM 0 HG2 ARG A 33 87.640 -2.517 -10.606 1.00 1.00 H new ATOM 0 HG3 ARG A 33 86.007 -2.043 -11.027 1.00 1.00 H new ATOM 0 HD2 ARG A 33 88.193 -2.822 -13.026 1.00 1.00 H new ATOM 0 HD3 ARG A 33 86.846 -3.838 -12.552 1.00 1.00 H new ATOM 0 HE ARG A 33 86.010 -1.179 -13.609 1.00 1.00 H new ATOM 0 HH11 ARG A 33 86.878 -4.510 -14.222 1.00 1.00 H new ATOM 0 HH12 ARG A 33 85.998 -4.589 -15.751 1.00 1.00 H new ATOM 0 HH21 ARG A 33 84.883 -1.280 -15.566 1.00 1.00 H new ATOM 0 HH22 ARG A 33 84.877 -2.776 -16.506 1.00 1.00 H new ATOM 508 N GLN A 34 88.860 0.722 -8.431 1.00 1.00 N ATOM 509 CA GLN A 34 90.000 0.464 -7.508 1.00 1.00 C ATOM 510 C GLN A 34 89.724 -0.808 -6.701 1.00 1.00 C ATOM 511 O GLN A 34 89.127 -1.746 -7.190 1.00 1.00 O ATOM 512 CB GLN A 34 90.165 1.655 -6.556 1.00 1.00 C ATOM 513 CG GLN A 34 91.619 1.740 -6.088 1.00 1.00 C ATOM 514 CD GLN A 34 92.467 2.404 -7.175 1.00 1.00 C ATOM 515 OE1 GLN A 34 93.144 1.734 -7.929 1.00 1.00 O ATOM 516 NE2 GLN A 34 92.459 3.705 -7.288 1.00 1.00 N ATOM 0 H GLN A 34 88.366 1.601 -8.275 1.00 1.00 H new ATOM 0 HA GLN A 34 90.916 0.334 -8.085 1.00 1.00 H new ATOM 0 HB2 GLN A 34 89.880 2.579 -7.060 1.00 1.00 H new ATOM 0 HB3 GLN A 34 89.502 1.542 -5.698 1.00 1.00 H new ATOM 0 HG2 GLN A 34 91.681 2.313 -5.163 1.00 1.00 H new ATOM 0 HG3 GLN A 34 92.002 0.742 -5.872 1.00 1.00 H new ATOM 0 HE21 GLN A 34 91.891 4.268 -6.655 1.00 1.00 H new ATOM 0 HE22 GLN A 34 93.021 4.158 -8.009 1.00 1.00 H new ATOM 525 N THR A 35 90.154 -0.845 -5.468 1.00 1.00 N ATOM 526 CA THR A 35 89.918 -2.054 -4.626 1.00 1.00 C ATOM 527 C THR A 35 88.706 -1.817 -3.724 1.00 1.00 C ATOM 528 O THR A 35 88.667 -0.876 -2.956 1.00 1.00 O ATOM 529 CB THR A 35 91.152 -2.319 -3.761 1.00 1.00 C ATOM 530 OG1 THR A 35 92.320 -2.212 -4.562 1.00 1.00 O ATOM 531 CG2 THR A 35 91.067 -3.724 -3.163 1.00 1.00 C ATOM 0 H THR A 35 90.659 -0.089 -5.007 1.00 1.00 H new ATOM 0 HA THR A 35 89.731 -2.915 -5.268 1.00 1.00 H new ATOM 0 HB THR A 35 91.195 -1.587 -2.955 1.00 1.00 H new ATOM 0 HG1 THR A 35 93.112 -2.380 -4.010 1.00 1.00 H new ATOM 0 HG21 THR A 35 91.947 -3.911 -2.547 1.00 1.00 H new ATOM 0 HG22 THR A 35 90.170 -3.804 -2.549 1.00 1.00 H new ATOM 0 HG23 THR A 35 91.023 -4.459 -3.966 1.00 1.00 H new ATOM 539 N ARG A 36 87.714 -2.663 -3.809 1.00 1.00 N ATOM 540 CA ARG A 36 86.503 -2.488 -2.956 1.00 1.00 C ATOM 541 C ARG A 36 86.608 -3.395 -1.728 1.00 1.00 C ATOM 542 O ARG A 36 85.685 -4.109 -1.391 1.00 1.00 O ATOM 543 CB ARG A 36 85.252 -2.860 -3.760 1.00 1.00 C ATOM 544 CG ARG A 36 85.124 -1.934 -4.971 1.00 1.00 C ATOM 545 CD ARG A 36 85.863 -2.546 -6.162 1.00 1.00 C ATOM 546 NE ARG A 36 84.895 -3.282 -7.023 1.00 1.00 N ATOM 547 CZ ARG A 36 84.196 -2.638 -7.917 1.00 1.00 C ATOM 548 NH1 ARG A 36 84.346 -1.349 -8.059 1.00 1.00 N ATOM 549 NH2 ARG A 36 83.348 -3.283 -8.671 1.00 1.00 N ATOM 0 H ARG A 36 87.690 -3.469 -4.434 1.00 1.00 H new ATOM 0 HA ARG A 36 86.433 -1.449 -2.635 1.00 1.00 H new ATOM 0 HB2 ARG A 36 85.314 -3.898 -4.088 1.00 1.00 H new ATOM 0 HB3 ARG A 36 84.366 -2.777 -3.131 1.00 1.00 H new ATOM 0 HG2 ARG A 36 84.073 -1.785 -5.219 1.00 1.00 H new ATOM 0 HG3 ARG A 36 85.538 -0.953 -4.737 1.00 1.00 H new ATOM 0 HD2 ARG A 36 86.357 -1.764 -6.738 1.00 1.00 H new ATOM 0 HD3 ARG A 36 86.642 -3.223 -5.811 1.00 1.00 H new ATOM 0 HE ARG A 36 84.779 -4.289 -6.914 1.00 1.00 H new ATOM 0 HH11 ARG A 36 85.010 -0.845 -7.471 1.00 1.00 H new ATOM 0 HH12 ARG A 36 83.799 -0.846 -8.758 1.00 1.00 H new ATOM 0 HH21 ARG A 36 83.232 -4.290 -8.561 1.00 1.00 H new ATOM 0 HH22 ARG A 36 82.802 -2.780 -9.370 1.00 1.00 H new ATOM 563 N GLN A 37 87.726 -3.372 -1.055 1.00 1.00 N ATOM 564 CA GLN A 37 87.888 -4.232 0.152 1.00 1.00 C ATOM 565 C GLN A 37 87.054 -3.657 1.299 1.00 1.00 C ATOM 566 O GLN A 37 86.270 -4.350 1.917 1.00 1.00 O ATOM 567 CB GLN A 37 89.364 -4.270 0.559 1.00 1.00 C ATOM 568 CG GLN A 37 89.852 -2.850 0.853 1.00 1.00 C ATOM 569 CD GLN A 37 91.374 -2.794 0.713 1.00 1.00 C ATOM 570 OE1 GLN A 37 91.891 -2.133 -0.166 1.00 1.00 O ATOM 571 NE2 GLN A 37 92.119 -3.463 1.549 1.00 1.00 N ATOM 0 H GLN A 37 88.534 -2.795 -1.289 1.00 1.00 H new ATOM 0 HA GLN A 37 87.550 -5.244 -0.072 1.00 1.00 H new ATOM 0 HB2 GLN A 37 89.493 -4.899 1.440 1.00 1.00 H new ATOM 0 HB3 GLN A 37 89.960 -4.712 -0.239 1.00 1.00 H new ATOM 0 HG2 GLN A 37 89.387 -2.144 0.165 1.00 1.00 H new ATOM 0 HG3 GLN A 37 89.558 -2.554 1.860 1.00 1.00 H new ATOM 0 HE21 GLN A 37 91.686 -4.018 2.287 1.00 1.00 H new ATOM 0 HE22 GLN A 37 93.135 -3.431 1.465 1.00 1.00 H new ATOM 580 N CYS A 38 87.214 -2.394 1.585 1.00 1.00 N ATOM 581 CA CYS A 38 86.429 -1.771 2.688 1.00 1.00 C ATOM 582 C CYS A 38 86.460 -2.680 3.919 1.00 1.00 C ATOM 583 O CYS A 38 87.507 -3.123 4.349 1.00 1.00 O ATOM 584 CB CYS A 38 84.981 -1.575 2.235 1.00 1.00 C ATOM 585 SG CYS A 38 84.145 -0.434 3.364 1.00 1.00 S ATOM 0 H CYS A 38 87.856 -1.766 1.102 1.00 1.00 H new ATOM 0 HA CYS A 38 86.866 -0.805 2.942 1.00 1.00 H new ATOM 0 HB2 CYS A 38 84.957 -1.181 1.219 1.00 1.00 H new ATOM 0 HB3 CYS A 38 84.461 -2.533 2.218 1.00 1.00 H new ATOM 590 N LYS A 39 85.320 -2.956 4.491 1.00 1.00 N ATOM 591 CA LYS A 39 85.281 -3.832 5.697 1.00 1.00 C ATOM 592 C LYS A 39 85.430 -5.295 5.269 1.00 1.00 C ATOM 593 O LYS A 39 84.490 -5.919 4.819 1.00 1.00 O ATOM 594 CB LYS A 39 83.940 -3.634 6.421 1.00 1.00 C ATOM 595 CG LYS A 39 84.149 -3.746 7.932 1.00 1.00 C ATOM 596 CD LYS A 39 84.577 -5.172 8.285 1.00 1.00 C ATOM 597 CE LYS A 39 83.461 -6.148 7.908 1.00 1.00 C ATOM 598 NZ LYS A 39 83.455 -7.290 8.866 1.00 1.00 N ATOM 0 H LYS A 39 84.413 -2.613 4.175 1.00 1.00 H new ATOM 0 HA LYS A 39 86.098 -3.572 6.370 1.00 1.00 H new ATOM 0 HB2 LYS A 39 83.522 -2.658 6.173 1.00 1.00 H new ATOM 0 HB3 LYS A 39 83.221 -4.382 6.087 1.00 1.00 H new ATOM 0 HG2 LYS A 39 84.909 -3.036 8.258 1.00 1.00 H new ATOM 0 HG3 LYS A 39 83.228 -3.491 8.457 1.00 1.00 H new ATOM 0 HD2 LYS A 39 85.494 -5.429 7.755 1.00 1.00 H new ATOM 0 HD3 LYS A 39 84.794 -5.245 9.351 1.00 1.00 H new ATOM 0 HE2 LYS A 39 82.497 -5.639 7.926 1.00 1.00 H new ATOM 0 HE3 LYS A 39 83.610 -6.513 6.892 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 83.325 -8.180 8.344 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 84.360 -7.318 9.378 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 82.676 -7.169 9.545 1.00 1.00 H new ATOM 612 N SER A 40 86.607 -5.847 5.411 1.00 1.00 N ATOM 613 CA SER A 40 86.825 -7.271 5.020 1.00 1.00 C ATOM 614 C SER A 40 86.898 -8.135 6.280 1.00 1.00 C ATOM 615 O SER A 40 86.096 -9.024 6.482 1.00 1.00 O ATOM 616 CB SER A 40 88.138 -7.390 4.244 1.00 1.00 C ATOM 617 OG SER A 40 88.439 -8.763 4.038 1.00 1.00 O ATOM 0 H SER A 40 87.429 -5.371 5.782 1.00 1.00 H new ATOM 0 HA SER A 40 86.000 -7.609 4.392 1.00 1.00 H new ATOM 0 HB2 SER A 40 88.055 -6.876 3.286 1.00 1.00 H new ATOM 0 HB3 SER A 40 88.945 -6.908 4.796 1.00 1.00 H new ATOM 0 HG SER A 40 89.279 -8.843 3.540 1.00 1.00 H new ATOM 623 N LYS A 41 87.854 -7.878 7.132 1.00 1.00 N ATOM 624 CA LYS A 41 87.976 -8.683 8.381 1.00 1.00 C ATOM 625 C LYS A 41 86.621 -8.687 9.103 1.00 1.00 C ATOM 626 O LYS A 41 85.821 -7.790 8.929 1.00 1.00 O ATOM 627 CB LYS A 41 89.051 -8.066 9.295 1.00 1.00 C ATOM 628 CG LYS A 41 90.011 -7.218 8.458 1.00 1.00 C ATOM 629 CD LYS A 41 89.470 -5.790 8.352 1.00 1.00 C ATOM 630 CE LYS A 41 90.211 -5.045 7.240 1.00 1.00 C ATOM 631 NZ LYS A 41 91.652 -4.920 7.600 1.00 1.00 N ATOM 0 H LYS A 41 88.555 -7.146 7.017 1.00 1.00 H new ATOM 0 HA LYS A 41 88.266 -9.704 8.135 1.00 1.00 H new ATOM 0 HB2 LYS A 41 88.581 -7.451 10.062 1.00 1.00 H new ATOM 0 HB3 LYS A 41 89.600 -8.854 9.810 1.00 1.00 H new ATOM 0 HG2 LYS A 41 91.000 -7.211 8.916 1.00 1.00 H new ATOM 0 HG3 LYS A 41 90.123 -7.651 7.464 1.00 1.00 H new ATOM 0 HD2 LYS A 41 88.401 -5.810 8.141 1.00 1.00 H new ATOM 0 HD3 LYS A 41 89.598 -5.270 9.301 1.00 1.00 H new ATOM 0 HE2 LYS A 41 90.106 -5.580 6.296 1.00 1.00 H new ATOM 0 HE3 LYS A 41 89.774 -4.057 7.096 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 92.121 -4.273 6.935 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 91.737 -4.545 8.566 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 92.105 -5.855 7.551 1.00 1.00 H new ATOM 645 N PRO A 42 86.364 -9.687 9.908 1.00 1.00 N ATOM 646 CA PRO A 42 85.087 -9.800 10.663 1.00 1.00 C ATOM 647 C PRO A 42 84.589 -8.436 11.161 1.00 1.00 C ATOM 648 O PRO A 42 85.360 -7.512 11.323 1.00 1.00 O ATOM 649 CB PRO A 42 85.459 -10.708 11.834 1.00 1.00 C ATOM 650 CG PRO A 42 86.541 -11.594 11.306 1.00 1.00 C ATOM 651 CD PRO A 42 87.260 -10.819 10.194 1.00 1.00 C ATOM 0 HA PRO A 42 84.272 -10.188 10.052 1.00 1.00 H new ATOM 0 HB2 PRO A 42 85.806 -10.128 12.689 1.00 1.00 H new ATOM 0 HB3 PRO A 42 84.601 -11.290 12.171 1.00 1.00 H new ATOM 0 HG2 PRO A 42 87.238 -11.864 12.099 1.00 1.00 H new ATOM 0 HG3 PRO A 42 86.123 -12.523 10.919 1.00 1.00 H new ATOM 0 HD2 PRO A 42 88.243 -10.477 10.518 1.00 1.00 H new ATOM 0 HD3 PRO A 42 87.413 -11.439 9.311 1.00 1.00 H new ATOM 659 N PRO A 43 83.307 -8.311 11.398 1.00 1.00 N ATOM 660 CA PRO A 43 82.701 -7.035 11.882 1.00 1.00 C ATOM 661 C PRO A 43 83.099 -6.715 13.327 1.00 1.00 C ATOM 662 O PRO A 43 82.918 -7.516 14.222 1.00 1.00 O ATOM 663 CB PRO A 43 81.192 -7.284 11.779 1.00 1.00 C ATOM 664 CG PRO A 43 81.034 -8.767 11.851 1.00 1.00 C ATOM 665 CD PRO A 43 82.298 -9.370 11.235 1.00 1.00 C ATOM 0 HA PRO A 43 83.039 -6.179 11.298 1.00 1.00 H new ATOM 0 HB2 PRO A 43 80.655 -6.791 12.590 1.00 1.00 H new ATOM 0 HB3 PRO A 43 80.791 -6.890 10.845 1.00 1.00 H new ATOM 0 HG2 PRO A 43 80.912 -9.094 12.884 1.00 1.00 H new ATOM 0 HG3 PRO A 43 80.146 -9.089 11.307 1.00 1.00 H new ATOM 0 HD2 PRO A 43 82.594 -10.287 11.745 1.00 1.00 H new ATOM 0 HD3 PRO A 43 82.150 -9.623 10.185 1.00 1.00 H new ATOM 673 N LYS A 44 83.636 -5.546 13.556 1.00 1.00 N ATOM 674 CA LYS A 44 84.046 -5.160 14.939 1.00 1.00 C ATOM 675 C LYS A 44 83.540 -3.748 15.238 1.00 1.00 C ATOM 676 O LYS A 44 82.561 -3.563 15.934 1.00 1.00 O ATOM 677 CB LYS A 44 85.574 -5.185 15.047 1.00 1.00 C ATOM 678 CG LYS A 44 86.082 -6.612 14.830 1.00 1.00 C ATOM 679 CD LYS A 44 85.814 -7.446 16.084 1.00 1.00 C ATOM 680 CE LYS A 44 86.691 -8.699 16.061 1.00 1.00 C ATOM 681 NZ LYS A 44 88.103 -8.323 16.354 1.00 1.00 N ATOM 0 H LYS A 44 83.809 -4.839 12.842 1.00 1.00 H new ATOM 0 HA LYS A 44 83.621 -5.863 15.655 1.00 1.00 H new ATOM 0 HB2 LYS A 44 86.012 -4.516 14.306 1.00 1.00 H new ATOM 0 HB3 LYS A 44 85.885 -4.823 16.027 1.00 1.00 H new ATOM 0 HG2 LYS A 44 85.584 -7.059 13.970 1.00 1.00 H new ATOM 0 HG3 LYS A 44 87.149 -6.600 14.610 1.00 1.00 H new ATOM 0 HD2 LYS A 44 86.025 -6.858 16.977 1.00 1.00 H new ATOM 0 HD3 LYS A 44 84.762 -7.727 16.129 1.00 1.00 H new ATOM 0 HE2 LYS A 44 86.335 -9.419 16.798 1.00 1.00 H new ATOM 0 HE3 LYS A 44 86.627 -9.183 15.086 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 88.614 -9.152 16.719 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 88.562 -7.990 15.482 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 88.120 -7.565 17.066 1.00 1.00 H new ATOM 695 N LYS A 45 84.198 -2.749 14.716 1.00 1.00 N ATOM 696 CA LYS A 45 83.754 -1.348 14.968 1.00 1.00 C ATOM 697 C LYS A 45 82.708 -0.949 13.926 1.00 1.00 C ATOM 698 O LYS A 45 82.952 -0.119 13.073 1.00 1.00 O ATOM 699 CB LYS A 45 84.957 -0.407 14.868 1.00 1.00 C ATOM 700 CG LYS A 45 85.902 -0.658 16.045 1.00 1.00 C ATOM 701 CD LYS A 45 87.268 -0.038 15.744 1.00 1.00 C ATOM 702 CE LYS A 45 88.194 -1.104 15.156 1.00 1.00 C ATOM 703 NZ LYS A 45 87.566 -1.690 13.938 1.00 1.00 N ATOM 0 H LYS A 45 85.024 -2.842 14.125 1.00 1.00 H new ATOM 0 HA LYS A 45 83.319 -1.278 15.965 1.00 1.00 H new ATOM 0 HB2 LYS A 45 85.481 -0.569 13.926 1.00 1.00 H new ATOM 0 HB3 LYS A 45 84.622 0.630 14.872 1.00 1.00 H new ATOM 0 HG2 LYS A 45 85.488 -0.226 16.956 1.00 1.00 H new ATOM 0 HG3 LYS A 45 86.007 -1.729 16.219 1.00 1.00 H new ATOM 0 HD2 LYS A 45 87.157 0.789 15.043 1.00 1.00 H new ATOM 0 HD3 LYS A 45 87.702 0.373 16.656 1.00 1.00 H new ATOM 0 HE2 LYS A 45 89.159 -0.664 14.905 1.00 1.00 H new ATOM 0 HE3 LYS A 45 88.382 -1.885 15.893 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 88.248 -2.314 13.462 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 86.726 -2.239 14.211 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 87.285 -0.926 13.290 1.00 1.00 H new ATOM 717 N GLY A 46 81.542 -1.534 13.986 1.00 1.00 N ATOM 718 CA GLY A 46 80.483 -1.186 12.998 1.00 1.00 C ATOM 719 C GLY A 46 79.156 -1.814 13.427 1.00 1.00 C ATOM 720 O GLY A 46 78.441 -2.384 12.627 1.00 1.00 O ATOM 0 H GLY A 46 81.278 -2.237 14.676 1.00 1.00 H new ATOM 0 HA2 GLY A 46 80.379 -0.103 12.927 1.00 1.00 H new ATOM 0 HA3 GLY A 46 80.763 -1.544 12.008 1.00 1.00 H new ATOM 724 N VAL A 47 78.820 -1.715 14.685 1.00 1.00 N ATOM 725 CA VAL A 47 77.539 -2.306 15.162 1.00 1.00 C ATOM 726 C VAL A 47 76.366 -1.551 14.534 1.00 1.00 C ATOM 727 O VAL A 47 75.266 -2.059 14.443 1.00 1.00 O ATOM 728 CB VAL A 47 77.461 -2.195 16.685 1.00 1.00 C ATOM 729 CG1 VAL A 47 76.102 -2.708 17.166 1.00 1.00 C ATOM 730 CG2 VAL A 47 78.574 -3.036 17.314 1.00 1.00 C ATOM 0 H VAL A 47 79.378 -1.250 15.402 1.00 1.00 H new ATOM 0 HA VAL A 47 77.493 -3.356 14.873 1.00 1.00 H new ATOM 0 HB VAL A 47 77.581 -1.152 16.980 1.00 1.00 H new ATOM 0 HG11 VAL A 47 76.047 -2.629 18.252 1.00 1.00 H new ATOM 0 HG12 VAL A 47 75.308 -2.111 16.718 1.00 1.00 H new ATOM 0 HG13 VAL A 47 75.982 -3.751 16.872 1.00 1.00 H new ATOM 0 HG21 VAL A 47 78.520 -2.958 18.400 1.00 1.00 H new ATOM 0 HG22 VAL A 47 78.454 -4.078 17.019 1.00 1.00 H new ATOM 0 HG23 VAL A 47 79.543 -2.672 16.972 1.00 1.00 H new ATOM 740 N GLN A 48 76.593 -0.341 14.100 1.00 1.00 N ATOM 741 CA GLN A 48 75.493 0.450 13.476 1.00 1.00 C ATOM 742 C GLN A 48 76.074 1.344 12.377 1.00 1.00 C ATOM 743 O GLN A 48 75.470 1.545 11.342 1.00 1.00 O ATOM 744 CB GLN A 48 74.820 1.318 14.546 1.00 1.00 C ATOM 745 CG GLN A 48 73.384 1.633 14.122 1.00 1.00 C ATOM 746 CD GLN A 48 73.392 2.283 12.736 1.00 1.00 C ATOM 747 OE1 GLN A 48 73.714 3.446 12.600 1.00 1.00 O ATOM 748 NE2 GLN A 48 73.048 1.575 11.695 1.00 1.00 N ATOM 0 H GLN A 48 77.494 0.135 14.151 1.00 1.00 H new ATOM 0 HA GLN A 48 74.755 -0.225 13.042 1.00 1.00 H new ATOM 0 HB2 GLN A 48 74.821 0.798 15.504 1.00 1.00 H new ATOM 0 HB3 GLN A 48 75.380 2.243 14.684 1.00 1.00 H new ATOM 0 HG2 GLN A 48 72.790 0.719 14.103 1.00 1.00 H new ATOM 0 HG3 GLN A 48 72.918 2.301 14.846 1.00 1.00 H new ATOM 0 HE21 GLN A 48 72.778 0.598 11.809 1.00 1.00 H new ATOM 0 HE22 GLN A 48 73.050 1.998 10.767 1.00 1.00 H new ATOM 757 N GLY A 49 77.243 1.880 12.595 1.00 1.00 N ATOM 758 CA GLY A 49 77.865 2.760 11.564 1.00 1.00 C ATOM 759 C GLY A 49 79.172 3.336 12.111 1.00 1.00 C ATOM 760 O GLY A 49 79.204 4.430 12.638 1.00 1.00 O ATOM 0 H GLY A 49 77.795 1.747 13.442 1.00 1.00 H new ATOM 0 HA2 GLY A 49 78.058 2.192 10.654 1.00 1.00 H new ATOM 0 HA3 GLY A 49 77.182 3.567 11.298 1.00 1.00 H new ATOM 764 N CYS A 50 80.248 2.603 11.993 1.00 1.00 N ATOM 765 CA CYS A 50 81.560 3.094 12.507 1.00 1.00 C ATOM 766 C CYS A 50 81.349 3.833 13.832 1.00 1.00 C ATOM 767 O CYS A 50 82.106 4.713 14.191 1.00 1.00 O ATOM 768 CB CYS A 50 82.194 4.039 11.478 1.00 1.00 C ATOM 769 SG CYS A 50 81.599 5.726 11.753 1.00 1.00 S ATOM 0 H CYS A 50 80.274 1.680 11.560 1.00 1.00 H new ATOM 0 HA CYS A 50 82.225 2.246 12.672 1.00 1.00 H new ATOM 0 HB2 CYS A 50 83.280 4.008 11.562 1.00 1.00 H new ATOM 0 HB3 CYS A 50 81.943 3.714 10.468 1.00 1.00 H new ATOM 774 N GLY A 51 80.320 3.482 14.557 1.00 1.00 N ATOM 775 CA GLY A 51 80.049 4.161 15.858 1.00 1.00 C ATOM 776 C GLY A 51 78.963 5.220 15.659 1.00 1.00 C ATOM 777 O GLY A 51 79.055 6.320 16.167 1.00 1.00 O ATOM 0 H GLY A 51 79.654 2.752 14.304 1.00 1.00 H new ATOM 0 HA2 GLY A 51 79.730 3.432 16.602 1.00 1.00 H new ATOM 0 HA3 GLY A 51 80.960 4.625 16.236 1.00 1.00 H new ATOM 781 N ASP A 52 77.935 4.897 14.921 1.00 1.00 N ATOM 782 CA ASP A 52 76.842 5.884 14.684 1.00 1.00 C ATOM 783 C ASP A 52 75.731 5.680 15.716 1.00 1.00 C ATOM 784 O ASP A 52 75.908 5.000 16.708 1.00 1.00 O ATOM 785 CB ASP A 52 76.271 5.682 13.277 1.00 1.00 C ATOM 786 CG ASP A 52 75.460 6.915 12.872 1.00 1.00 C ATOM 787 OD1 ASP A 52 75.351 7.820 13.682 1.00 1.00 O ATOM 788 OD2 ASP A 52 74.963 6.932 11.758 1.00 1.00 O ATOM 0 H ASP A 52 77.805 3.991 14.471 1.00 1.00 H new ATOM 0 HA ASP A 52 77.241 6.894 14.777 1.00 1.00 H new ATOM 0 HB2 ASP A 52 77.080 5.516 12.565 1.00 1.00 H new ATOM 0 HB3 ASP A 52 75.639 4.794 13.254 1.00 1.00 H new ATOM 793 N ASP A 53 74.587 6.265 15.489 1.00 1.00 N ATOM 794 CA ASP A 53 73.462 6.108 16.453 1.00 1.00 C ATOM 795 C ASP A 53 72.194 6.722 15.855 1.00 1.00 C ATOM 796 O ASP A 53 71.239 7.000 16.552 1.00 1.00 O ATOM 797 CB ASP A 53 73.806 6.824 17.761 1.00 1.00 C ATOM 798 CG ASP A 53 73.971 8.322 17.495 1.00 1.00 C ATOM 799 OD1 ASP A 53 74.926 8.683 16.827 1.00 1.00 O ATOM 800 OD2 ASP A 53 73.140 9.082 17.965 1.00 1.00 O ATOM 0 H ASP A 53 74.383 6.846 14.676 1.00 1.00 H new ATOM 0 HA ASP A 53 73.297 5.049 16.652 1.00 1.00 H new ATOM 0 HB2 ASP A 53 73.018 6.659 18.496 1.00 1.00 H new ATOM 0 HB3 ASP A 53 74.725 6.415 18.181 1.00 1.00 H new ATOM 805 N ILE A 54 72.179 6.936 14.567 1.00 1.00 N ATOM 806 CA ILE A 54 70.975 7.535 13.921 1.00 1.00 C ATOM 807 C ILE A 54 70.859 7.021 12.482 1.00 1.00 C ATOM 808 O ILE A 54 71.223 7.701 11.543 1.00 1.00 O ATOM 809 CB ILE A 54 71.114 9.060 13.907 1.00 1.00 C ATOM 810 CG1 ILE A 54 72.552 9.436 13.543 1.00 1.00 C ATOM 811 CG2 ILE A 54 70.778 9.617 15.292 1.00 1.00 C ATOM 812 CD1 ILE A 54 72.608 10.912 13.143 1.00 1.00 C ATOM 0 H ILE A 54 72.949 6.722 13.933 1.00 1.00 H new ATOM 0 HA ILE A 54 70.083 7.254 14.480 1.00 1.00 H new ATOM 0 HB ILE A 54 70.429 9.480 13.171 1.00 1.00 H new ATOM 0 HG12 ILE A 54 73.213 9.253 14.390 1.00 1.00 H new ATOM 0 HG13 ILE A 54 72.906 8.812 12.722 1.00 1.00 H new ATOM 0 HG21 ILE A 54 70.877 10.702 15.281 1.00 1.00 H new ATOM 0 HG22 ILE A 54 69.754 9.349 15.554 1.00 1.00 H new ATOM 0 HG23 ILE A 54 71.463 9.197 16.029 1.00 1.00 H new ATOM 0 HD11 ILE A 54 73.632 11.180 12.884 1.00 1.00 H new ATOM 0 HD12 ILE A 54 71.960 11.081 12.283 1.00 1.00 H new ATOM 0 HD13 ILE A 54 72.272 11.528 13.977 1.00 1.00 H new ATOM 824 N PRO A 55 70.355 5.826 12.310 1.00 1.00 N ATOM 825 CA PRO A 55 70.189 5.210 10.965 1.00 1.00 C ATOM 826 C PRO A 55 68.938 5.724 10.244 1.00 1.00 C ATOM 827 O PRO A 55 67.962 5.016 10.091 1.00 1.00 O ATOM 828 CB PRO A 55 70.067 3.717 11.274 1.00 1.00 C ATOM 829 CG PRO A 55 69.473 3.650 12.643 1.00 1.00 C ATOM 830 CD PRO A 55 69.890 4.928 13.379 1.00 1.00 C ATOM 0 HA PRO A 55 71.016 5.449 10.296 1.00 1.00 H new ATOM 0 HB2 PRO A 55 69.433 3.214 10.544 1.00 1.00 H new ATOM 0 HB3 PRO A 55 71.040 3.227 11.242 1.00 1.00 H new ATOM 0 HG2 PRO A 55 68.387 3.574 12.588 1.00 1.00 H new ATOM 0 HG3 PRO A 55 69.828 2.767 13.174 1.00 1.00 H new ATOM 0 HD2 PRO A 55 69.054 5.362 13.928 1.00 1.00 H new ATOM 0 HD3 PRO A 55 70.679 4.730 14.104 1.00 1.00 H new ATOM 838 N GLY A 56 68.961 6.951 9.800 1.00 1.00 N ATOM 839 CA GLY A 56 67.777 7.511 9.090 1.00 1.00 C ATOM 840 C GLY A 56 67.990 9.005 8.841 1.00 1.00 C ATOM 841 O GLY A 56 68.005 9.461 7.714 1.00 1.00 O ATOM 0 H GLY A 56 69.750 7.590 9.899 1.00 1.00 H new ATOM 0 HA2 GLY A 56 67.628 6.991 8.143 1.00 1.00 H new ATOM 0 HA3 GLY A 56 66.876 7.355 9.684 1.00 1.00 H new ATOM 845 N MET A 57 68.157 9.772 9.884 1.00 1.00 N ATOM 846 CA MET A 57 68.369 11.236 9.707 1.00 1.00 C ATOM 847 C MET A 57 69.719 11.477 9.028 1.00 1.00 C ATOM 848 O MET A 57 70.721 11.698 9.679 1.00 1.00 O ATOM 849 CB MET A 57 68.357 11.922 11.075 1.00 1.00 C ATOM 850 CG MET A 57 68.257 13.437 10.887 1.00 1.00 C ATOM 851 SD MET A 57 68.723 14.268 12.425 1.00 1.00 S ATOM 852 CE MET A 57 67.095 14.214 13.214 1.00 1.00 C ATOM 0 H MET A 57 68.156 9.448 10.851 1.00 1.00 H new ATOM 0 HA MET A 57 67.572 11.646 9.087 1.00 1.00 H new ATOM 0 HB2 MET A 57 67.515 11.562 11.666 1.00 1.00 H new ATOM 0 HB3 MET A 57 69.264 11.673 11.626 1.00 1.00 H new ATOM 0 HG2 MET A 57 68.911 13.757 10.076 1.00 1.00 H new ATOM 0 HG3 MET A 57 67.241 13.713 10.606 1.00 1.00 H new ATOM 0 HE1 MET A 57 67.151 14.683 14.196 1.00 1.00 H new ATOM 0 HE2 MET A 57 66.374 14.750 12.597 1.00 1.00 H new ATOM 0 HE3 MET A 57 66.778 13.177 13.324 1.00 1.00 H new ATOM 862 N GLU A 58 69.754 11.435 7.724 1.00 1.00 N ATOM 863 CA GLU A 58 71.040 11.661 7.006 1.00 1.00 C ATOM 864 C GLU A 58 71.306 13.165 6.893 1.00 1.00 C ATOM 865 O GLU A 58 70.650 13.971 7.523 1.00 1.00 O ATOM 866 CB GLU A 58 70.960 11.040 5.605 1.00 1.00 C ATOM 867 CG GLU A 58 70.075 11.907 4.707 1.00 1.00 C ATOM 868 CD GLU A 58 68.767 12.226 5.433 1.00 1.00 C ATOM 869 OE1 GLU A 58 67.970 11.318 5.601 1.00 1.00 O ATOM 870 OE2 GLU A 58 68.585 13.372 5.807 1.00 1.00 O ATOM 0 H GLU A 58 68.948 11.254 7.125 1.00 1.00 H new ATOM 0 HA GLU A 58 71.854 11.194 7.560 1.00 1.00 H new ATOM 0 HB2 GLU A 58 71.959 10.956 5.176 1.00 1.00 H new ATOM 0 HB3 GLU A 58 70.554 10.030 5.667 1.00 1.00 H new ATOM 0 HG2 GLU A 58 70.594 12.830 4.449 1.00 1.00 H new ATOM 0 HG3 GLU A 58 69.867 11.386 3.772 1.00 1.00 H new ATOM 877 N GLY A 59 72.265 13.547 6.095 1.00 1.00 N ATOM 878 CA GLY A 59 72.575 14.996 5.940 1.00 1.00 C ATOM 879 C GLY A 59 73.362 15.214 4.646 1.00 1.00 C ATOM 880 O GLY A 59 73.907 16.274 4.410 1.00 1.00 O ATOM 0 H GLY A 59 72.848 12.917 5.543 1.00 1.00 H new ATOM 0 HA2 GLY A 59 71.652 15.576 5.919 1.00 1.00 H new ATOM 0 HA3 GLY A 59 73.154 15.348 6.794 1.00 1.00 H new ATOM 884 N CYS A 60 73.426 14.217 3.806 1.00 1.00 N ATOM 885 CA CYS A 60 74.178 14.365 2.527 1.00 1.00 C ATOM 886 C CYS A 60 73.427 15.323 1.601 1.00 1.00 C ATOM 887 O CYS A 60 72.428 15.906 1.972 1.00 1.00 O ATOM 888 CB CYS A 60 74.307 12.998 1.852 1.00 1.00 C ATOM 889 SG CYS A 60 75.552 13.087 0.541 1.00 1.00 S ATOM 0 H CYS A 60 72.990 13.306 3.950 1.00 1.00 H new ATOM 0 HA CYS A 60 75.171 14.764 2.733 1.00 1.00 H new ATOM 0 HB2 CYS A 60 74.590 12.243 2.586 1.00 1.00 H new ATOM 0 HB3 CYS A 60 73.347 12.694 1.436 1.00 1.00 H new ATOM 894 N GLY A 61 73.898 15.488 0.395 1.00 1.00 N ATOM 895 CA GLY A 61 73.212 16.404 -0.556 1.00 1.00 C ATOM 896 C GLY A 61 72.015 15.685 -1.176 1.00 1.00 C ATOM 897 O GLY A 61 71.782 15.757 -2.366 1.00 1.00 O ATOM 0 H GLY A 61 74.730 15.026 0.028 1.00 1.00 H new ATOM 0 HA2 GLY A 61 72.881 17.304 -0.037 1.00 1.00 H new ATOM 0 HA3 GLY A 61 73.904 16.722 -1.336 1.00 1.00 H new ATOM 901 N THR A 62 71.253 14.991 -0.376 1.00 1.00 N ATOM 902 CA THR A 62 70.069 14.267 -0.915 1.00 1.00 C ATOM 903 C THR A 62 70.534 13.187 -1.893 1.00 1.00 C ATOM 904 O THR A 62 69.778 12.716 -2.720 1.00 1.00 O ATOM 905 CB THR A 62 69.151 15.257 -1.641 1.00 1.00 C ATOM 906 OG1 THR A 62 69.549 15.359 -3.001 1.00 1.00 O ATOM 907 CG2 THR A 62 69.249 16.630 -0.974 1.00 1.00 C ATOM 0 H THR A 62 71.400 14.894 0.629 1.00 1.00 H new ATOM 0 HA THR A 62 69.522 13.802 -0.095 1.00 1.00 H new ATOM 0 HB THR A 62 68.121 14.904 -1.589 1.00 1.00 H new ATOM 0 HG1 THR A 62 70.393 15.853 -3.059 1.00 1.00 H new ATOM 0 HG21 THR A 62 68.596 17.333 -1.491 1.00 1.00 H new ATOM 0 HG22 THR A 62 68.943 16.550 0.069 1.00 1.00 H new ATOM 0 HG23 THR A 62 70.278 16.986 -1.024 1.00 1.00 H new ATOM 915 N ASP A 63 71.774 12.787 -1.805 1.00 1.00 N ATOM 916 CA ASP A 63 72.286 11.735 -2.727 1.00 1.00 C ATOM 917 C ASP A 63 71.654 10.388 -2.367 1.00 1.00 C ATOM 918 O ASP A 63 72.193 9.340 -2.662 1.00 1.00 O ATOM 919 CB ASP A 63 73.808 11.637 -2.592 1.00 1.00 C ATOM 920 CG ASP A 63 74.369 10.793 -3.738 1.00 1.00 C ATOM 921 OD1 ASP A 63 73.578 10.275 -4.508 1.00 1.00 O ATOM 922 OD2 ASP A 63 75.581 10.678 -3.824 1.00 1.00 O ATOM 0 H ASP A 63 72.454 13.144 -1.134 1.00 1.00 H new ATOM 0 HA ASP A 63 72.027 11.994 -3.754 1.00 1.00 H new ATOM 0 HB2 ASP A 63 74.250 12.633 -2.610 1.00 1.00 H new ATOM 0 HB3 ASP A 63 74.071 11.189 -1.634 1.00 1.00 H new ATOM 927 N ILE A 64 70.514 10.406 -1.729 1.00 1.00 N ATOM 928 CA ILE A 64 69.849 9.127 -1.349 1.00 1.00 C ATOM 929 C ILE A 64 68.345 9.361 -1.191 1.00 1.00 C ATOM 930 O ILE A 64 67.556 8.437 -1.229 1.00 1.00 O ATOM 931 CB ILE A 64 70.430 8.626 -0.025 1.00 1.00 C ATOM 932 CG1 ILE A 64 69.837 7.254 0.304 1.00 1.00 C ATOM 933 CG2 ILE A 64 70.081 9.612 1.092 1.00 1.00 C ATOM 934 CD1 ILE A 64 70.624 6.619 1.452 1.00 1.00 C ATOM 0 H ILE A 64 70.015 11.252 -1.455 1.00 1.00 H new ATOM 0 HA ILE A 64 70.020 8.382 -2.126 1.00 1.00 H new ATOM 0 HB ILE A 64 71.513 8.544 -0.112 1.00 1.00 H new ATOM 0 HG12 ILE A 64 68.788 7.357 0.581 1.00 1.00 H new ATOM 0 HG13 ILE A 64 69.873 6.610 -0.575 1.00 1.00 H new ATOM 0 HG21 ILE A 64 70.495 9.255 2.035 1.00 1.00 H new ATOM 0 HG22 ILE A 64 70.501 10.590 0.858 1.00 1.00 H new ATOM 0 HG23 ILE A 64 68.998 9.694 1.179 1.00 1.00 H new ATOM 0 HD11 ILE A 64 70.201 5.642 1.686 1.00 1.00 H new ATOM 0 HD12 ILE A 64 71.667 6.502 1.157 1.00 1.00 H new ATOM 0 HD13 ILE A 64 70.565 7.260 2.332 1.00 1.00 H new ATOM 946 N THR A 65 67.942 10.589 -1.013 1.00 1.00 N ATOM 947 CA THR A 65 66.490 10.884 -0.852 1.00 1.00 C ATOM 948 C THR A 65 65.831 10.972 -2.230 1.00 1.00 C ATOM 949 O THR A 65 64.656 10.706 -2.384 1.00 1.00 O ATOM 950 CB THR A 65 66.317 12.217 -0.119 1.00 1.00 C ATOM 951 OG1 THR A 65 67.156 12.237 1.027 1.00 1.00 O ATOM 952 CG2 THR A 65 64.858 12.380 0.310 1.00 1.00 C ATOM 0 H THR A 65 68.556 11.402 -0.972 1.00 1.00 H new ATOM 0 HA THR A 65 66.021 10.088 -0.274 1.00 1.00 H new ATOM 0 HB THR A 65 66.590 13.036 -0.784 1.00 1.00 H new ATOM 0 HG1 THR A 65 67.048 13.090 1.497 1.00 1.00 H new ATOM 0 HG21 THR A 65 64.736 13.329 0.832 1.00 1.00 H new ATOM 0 HG22 THR A 65 64.216 12.365 -0.571 1.00 1.00 H new ATOM 0 HG23 THR A 65 64.581 11.562 0.975 1.00 1.00 H new ATOM 960 N VAL A 66 66.582 11.342 -3.234 1.00 1.00 N ATOM 961 CA VAL A 66 66.006 11.447 -4.607 1.00 1.00 C ATOM 962 C VAL A 66 66.986 10.839 -5.613 1.00 1.00 C ATOM 963 O VAL A 66 66.609 10.436 -6.695 1.00 1.00 O ATOM 964 CB VAL A 66 65.766 12.920 -4.949 1.00 1.00 C ATOM 965 CG1 VAL A 66 65.327 13.041 -6.410 1.00 1.00 C ATOM 966 CG2 VAL A 66 64.670 13.481 -4.041 1.00 1.00 C ATOM 0 H VAL A 66 67.572 11.577 -3.162 1.00 1.00 H new ATOM 0 HA VAL A 66 65.059 10.909 -4.650 1.00 1.00 H new ATOM 0 HB VAL A 66 66.688 13.482 -4.799 1.00 1.00 H new ATOM 0 HG11 VAL A 66 65.156 14.090 -6.653 1.00 1.00 H new ATOM 0 HG12 VAL A 66 66.106 12.641 -7.058 1.00 1.00 H new ATOM 0 HG13 VAL A 66 64.405 12.479 -6.561 1.00 1.00 H new ATOM 0 HG21 VAL A 66 64.498 14.530 -4.283 1.00 1.00 H new ATOM 0 HG22 VAL A 66 63.749 12.918 -4.192 1.00 1.00 H new ATOM 0 HG23 VAL A 66 64.981 13.396 -3.000 1.00 1.00 H new ATOM 976 N ILE A 67 68.243 10.764 -5.259 1.00 1.00 N ATOM 977 CA ILE A 67 69.255 10.176 -6.186 1.00 1.00 C ATOM 978 C ILE A 67 70.149 9.210 -5.407 1.00 1.00 C ATOM 979 O ILE A 67 71.154 9.598 -4.844 1.00 1.00 O ATOM 980 CB ILE A 67 70.118 11.291 -6.785 1.00 1.00 C ATOM 981 CG1 ILE A 67 69.212 12.383 -7.357 1.00 1.00 C ATOM 982 CG2 ILE A 67 70.991 10.717 -7.903 1.00 1.00 C ATOM 983 CD1 ILE A 67 69.017 13.484 -6.313 1.00 1.00 C ATOM 0 H ILE A 67 68.613 11.086 -4.365 1.00 1.00 H new ATOM 0 HA ILE A 67 68.745 9.644 -6.989 1.00 1.00 H new ATOM 0 HB ILE A 67 70.755 11.715 -6.008 1.00 1.00 H new ATOM 0 HG12 ILE A 67 69.654 12.800 -8.262 1.00 1.00 H new ATOM 0 HG13 ILE A 67 68.248 11.960 -7.639 1.00 1.00 H new ATOM 0 HG21 ILE A 67 71.605 11.511 -8.329 1.00 1.00 H new ATOM 0 HG22 ILE A 67 71.636 9.938 -7.497 1.00 1.00 H new ATOM 0 HG23 ILE A 67 70.355 10.293 -8.680 1.00 1.00 H new ATOM 0 HD11 ILE A 67 68.371 14.262 -6.721 1.00 1.00 H new ATOM 0 HD12 ILE A 67 68.556 13.061 -5.420 1.00 1.00 H new ATOM 0 HD13 ILE A 67 69.984 13.914 -6.053 1.00 1.00 H new ATOM 995 N CYS A 68 69.792 7.954 -5.369 1.00 1.00 N ATOM 996 CA CYS A 68 70.621 6.963 -4.625 1.00 1.00 C ATOM 997 C CYS A 68 71.529 6.221 -5.613 1.00 1.00 C ATOM 998 O CYS A 68 71.242 6.140 -6.791 1.00 1.00 O ATOM 999 CB CYS A 68 69.696 5.970 -3.906 1.00 1.00 C ATOM 1000 SG CYS A 68 70.182 4.276 -4.319 1.00 1.00 S ATOM 0 H CYS A 68 68.962 7.572 -5.821 1.00 1.00 H new ATOM 0 HA CYS A 68 71.240 7.472 -3.887 1.00 1.00 H new ATOM 0 HB2 CYS A 68 69.751 6.122 -2.828 1.00 1.00 H new ATOM 0 HB3 CYS A 68 68.661 6.144 -4.200 1.00 1.00 H new ATOM 1005 N PRO A 69 72.625 5.690 -5.136 1.00 1.00 N ATOM 1006 CA PRO A 69 73.603 4.947 -5.977 1.00 1.00 C ATOM 1007 C PRO A 69 72.945 4.111 -7.084 1.00 1.00 C ATOM 1008 O PRO A 69 73.530 3.892 -8.127 1.00 1.00 O ATOM 1009 CB PRO A 69 74.308 4.048 -4.966 1.00 1.00 C ATOM 1010 CG PRO A 69 74.291 4.821 -3.688 1.00 1.00 C ATOM 1011 CD PRO A 69 73.058 5.734 -3.730 1.00 1.00 C ATOM 0 HA PRO A 69 74.267 5.623 -6.516 1.00 1.00 H new ATOM 0 HB2 PRO A 69 73.792 3.094 -4.858 1.00 1.00 H new ATOM 0 HB3 PRO A 69 75.328 3.825 -5.279 1.00 1.00 H new ATOM 0 HG2 PRO A 69 74.243 4.148 -2.832 1.00 1.00 H new ATOM 0 HG3 PRO A 69 75.202 5.409 -3.581 1.00 1.00 H new ATOM 0 HD2 PRO A 69 72.275 5.377 -3.061 1.00 1.00 H new ATOM 0 HD3 PRO A 69 73.304 6.750 -3.420 1.00 1.00 H new ATOM 1019 N TRP A 70 71.744 3.636 -6.880 1.00 1.00 N ATOM 1020 CA TRP A 70 71.094 2.818 -7.946 1.00 1.00 C ATOM 1021 C TRP A 70 70.797 3.702 -9.158 1.00 1.00 C ATOM 1022 O TRP A 70 70.066 3.324 -10.052 1.00 1.00 O ATOM 1023 CB TRP A 70 69.795 2.181 -7.427 1.00 1.00 C ATOM 1024 CG TRP A 70 68.955 3.217 -6.752 1.00 1.00 C ATOM 1025 CD1 TRP A 70 68.990 4.542 -7.021 1.00 1.00 C ATOM 1026 CD2 TRP A 70 67.958 3.038 -5.703 1.00 1.00 C ATOM 1027 NE1 TRP A 70 68.079 5.189 -6.206 1.00 1.00 N ATOM 1028 CE2 TRP A 70 67.418 4.306 -5.376 1.00 1.00 C ATOM 1029 CE3 TRP A 70 67.475 1.914 -5.012 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 66.433 4.450 -4.396 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 66.485 2.055 -4.028 1.00 1.00 C ATOM 1032 CH2 TRP A 70 65.965 3.319 -3.719 1.00 1.00 C ATOM 0 H TRP A 70 71.192 3.776 -6.034 1.00 1.00 H new ATOM 0 HA TRP A 70 71.773 2.017 -8.238 1.00 1.00 H new ATOM 0 HB2 TRP A 70 69.243 1.735 -8.254 1.00 1.00 H new ATOM 0 HB3 TRP A 70 70.028 1.377 -6.729 1.00 1.00 H new ATOM 0 HD1 TRP A 70 69.626 5.017 -7.753 1.00 1.00 H new ATOM 0 HE1 TRP A 70 67.916 6.196 -6.217 1.00 1.00 H new ATOM 0 HE3 TRP A 70 67.869 0.934 -5.240 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 66.036 5.427 -4.163 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 66.121 1.183 -3.505 1.00 1.00 H new ATOM 0 HH2 TRP A 70 65.204 3.420 -2.959 1.00 1.00 H new ATOM 1043 N GLU A 71 71.362 4.881 -9.190 1.00 1.00 N ATOM 1044 CA GLU A 71 71.124 5.806 -10.335 1.00 1.00 C ATOM 1045 C GLU A 71 72.450 6.456 -10.738 1.00 1.00 C ATOM 1046 O GLU A 71 72.619 6.906 -11.854 1.00 1.00 O ATOM 1047 CB GLU A 71 70.130 6.892 -9.908 1.00 1.00 C ATOM 1048 CG GLU A 71 68.708 6.328 -9.938 1.00 1.00 C ATOM 1049 CD GLU A 71 68.013 6.762 -11.230 1.00 1.00 C ATOM 1050 OE1 GLU A 71 68.428 6.309 -12.284 1.00 1.00 O ATOM 1051 OE2 GLU A 71 67.079 7.542 -11.144 1.00 1.00 O ATOM 0 H GLU A 71 71.982 5.244 -8.466 1.00 1.00 H new ATOM 0 HA GLU A 71 70.716 5.252 -11.181 1.00 1.00 H new ATOM 0 HB2 GLU A 71 70.371 7.245 -8.905 1.00 1.00 H new ATOM 0 HB3 GLU A 71 70.205 7.751 -10.575 1.00 1.00 H new ATOM 0 HG2 GLU A 71 68.736 5.240 -9.875 1.00 1.00 H new ATOM 0 HG3 GLU A 71 68.147 6.683 -9.074 1.00 1.00 H new ATOM 1058 N ALA A 72 73.395 6.505 -9.837 1.00 1.00 N ATOM 1059 CA ALA A 72 74.711 7.120 -10.168 1.00 1.00 C ATOM 1060 C ALA A 72 75.520 6.149 -11.029 1.00 1.00 C ATOM 1061 O ALA A 72 74.997 5.528 -11.933 1.00 1.00 O ATOM 1062 CB ALA A 72 75.476 7.416 -8.875 1.00 1.00 C ATOM 0 H ALA A 72 73.311 6.145 -8.886 1.00 1.00 H new ATOM 0 HA ALA A 72 74.553 8.049 -10.716 1.00 1.00 H new ATOM 0 HB1 ALA A 72 76.439 7.866 -9.117 1.00 1.00 H new ATOM 0 HB2 ALA A 72 74.898 8.105 -8.260 1.00 1.00 H new ATOM 0 HB3 ALA A 72 75.637 6.488 -8.327 1.00 1.00 H new ATOM 1068 N CYS A 73 76.790 6.008 -10.759 1.00 1.00 N ATOM 1069 CA CYS A 73 77.619 5.070 -11.568 1.00 1.00 C ATOM 1070 C CYS A 73 77.402 3.639 -11.068 1.00 1.00 C ATOM 1071 O CYS A 73 77.790 2.683 -11.709 1.00 1.00 O ATOM 1072 CB CYS A 73 79.101 5.446 -11.441 1.00 1.00 C ATOM 1073 SG CYS A 73 79.326 6.561 -10.033 1.00 1.00 S ATOM 0 H CYS A 73 77.287 6.500 -10.016 1.00 1.00 H new ATOM 0 HA CYS A 73 77.324 5.136 -12.615 1.00 1.00 H new ATOM 0 HB2 CYS A 73 79.704 4.548 -11.307 1.00 1.00 H new ATOM 0 HB3 CYS A 73 79.444 5.927 -12.357 1.00 1.00 H new ATOM 1078 N ASN A 74 76.779 3.485 -9.931 1.00 1.00 N ATOM 1079 CA ASN A 74 76.531 2.118 -9.390 1.00 1.00 C ATOM 1080 C ASN A 74 77.845 1.331 -9.348 1.00 1.00 C ATOM 1081 O ASN A 74 78.507 1.271 -8.332 1.00 1.00 O ATOM 1082 CB ASN A 74 75.520 1.392 -10.284 1.00 1.00 C ATOM 1083 CG ASN A 74 74.381 2.347 -10.646 1.00 1.00 C ATOM 1084 OD1 ASN A 74 74.577 3.295 -11.380 1.00 1.00 O ATOM 1085 ND2 ASN A 74 73.189 2.136 -10.157 1.00 1.00 N ATOM 0 HA ASN A 74 76.130 2.196 -8.379 1.00 1.00 H new ATOM 0 HB2 ASN A 74 76.010 1.034 -11.189 1.00 1.00 H new ATOM 0 HB3 ASN A 74 75.125 0.517 -9.768 1.00 1.00 H new ATOM 0 HD21 ASN A 74 72.423 2.767 -10.391 1.00 1.00 H new ATOM 0 HD22 ASN A 74 73.024 1.340 -9.541 1.00 1.00 H new ATOM 1092 N HIS A 75 78.227 0.726 -10.441 1.00 1.00 N ATOM 1093 CA HIS A 75 79.497 -0.056 -10.461 1.00 1.00 C ATOM 1094 C HIS A 75 79.587 -0.926 -9.205 1.00 1.00 C ATOM 1095 O HIS A 75 80.079 -0.502 -8.178 1.00 1.00 O ATOM 1096 CB HIS A 75 80.688 0.903 -10.504 1.00 1.00 C ATOM 1097 CG HIS A 75 81.942 0.131 -10.810 1.00 1.00 C ATOM 1098 ND1 HIS A 75 81.963 -1.254 -10.864 1.00 1.00 N ATOM 1099 CD2 HIS A 75 83.226 0.538 -11.082 1.00 1.00 C ATOM 1100 CE1 HIS A 75 83.220 -1.631 -11.157 1.00 1.00 C ATOM 1101 NE2 HIS A 75 84.028 -0.579 -11.300 1.00 1.00 N ATOM 0 H HIS A 75 77.713 0.740 -11.322 1.00 1.00 H new ATOM 0 HA HIS A 75 79.512 -0.695 -11.344 1.00 1.00 H new ATOM 0 HB2 HIS A 75 80.525 1.668 -11.263 1.00 1.00 H new ATOM 0 HB3 HIS A 75 80.789 1.418 -9.548 1.00 1.00 H new ATOM 0 HD1 HIS A 75 81.169 -1.875 -10.709 1.00 1.00 H new ATOM 0 HD2 HIS A 75 83.561 1.564 -11.121 1.00 1.00 H new ATOM 0 HE1 HIS A 75 83.536 -2.658 -11.263 1.00 1.00 H new ATOM 1110 N CYS A 76 79.116 -2.141 -9.279 1.00 1.00 N ATOM 1111 CA CYS A 76 79.176 -3.038 -8.091 1.00 1.00 C ATOM 1112 C CYS A 76 79.012 -4.490 -8.542 1.00 1.00 C ATOM 1113 O CYS A 76 78.801 -5.380 -7.742 1.00 1.00 O ATOM 1114 CB CYS A 76 78.052 -2.675 -7.119 1.00 1.00 C ATOM 1115 SG CYS A 76 76.512 -2.438 -8.039 1.00 1.00 S ATOM 0 H CYS A 76 78.692 -2.551 -10.111 1.00 1.00 H new ATOM 0 HA CYS A 76 80.138 -2.918 -7.593 1.00 1.00 H new ATOM 0 HB2 CYS A 76 77.928 -3.465 -6.379 1.00 1.00 H new ATOM 0 HB3 CYS A 76 78.307 -1.765 -6.575 1.00 1.00 H new ATOM 1120 N GLU A 77 79.107 -4.736 -9.820 1.00 1.00 N ATOM 1121 CA GLU A 77 78.956 -6.128 -10.326 1.00 1.00 C ATOM 1122 C GLU A 77 80.187 -6.949 -9.934 1.00 1.00 C ATOM 1123 O GLU A 77 80.688 -7.742 -10.706 1.00 1.00 O ATOM 1124 CB GLU A 77 78.824 -6.107 -11.850 1.00 1.00 C ATOM 1125 CG GLU A 77 77.477 -5.494 -12.238 1.00 1.00 C ATOM 1126 CD GLU A 77 76.349 -6.452 -11.850 1.00 1.00 C ATOM 1127 OE1 GLU A 77 76.245 -7.497 -12.471 1.00 1.00 O ATOM 1128 OE2 GLU A 77 75.608 -6.124 -10.938 1.00 1.00 O ATOM 0 H GLU A 77 79.283 -4.031 -10.536 1.00 1.00 H new ATOM 0 HA GLU A 77 78.064 -6.577 -9.890 1.00 1.00 H new ATOM 0 HB2 GLU A 77 79.638 -5.529 -12.288 1.00 1.00 H new ATOM 0 HB3 GLU A 77 78.902 -7.119 -12.246 1.00 1.00 H new ATOM 0 HG2 GLU A 77 77.343 -4.536 -11.736 1.00 1.00 H new ATOM 0 HG3 GLU A 77 77.450 -5.299 -13.310 1.00 1.00 H new ATOM 1135 N LEU A 78 80.679 -6.765 -8.739 1.00 1.00 N ATOM 1136 CA LEU A 78 81.879 -7.535 -8.297 1.00 1.00 C ATOM 1137 C LEU A 78 81.805 -7.767 -6.787 1.00 1.00 C ATOM 1138 O LEU A 78 81.601 -6.849 -6.018 1.00 1.00 O ATOM 1139 CB LEU A 78 83.145 -6.739 -8.630 1.00 1.00 C ATOM 1140 CG LEU A 78 84.369 -7.650 -8.526 1.00 1.00 C ATOM 1141 CD1 LEU A 78 84.570 -8.390 -9.850 1.00 1.00 C ATOM 1142 CD2 LEU A 78 85.608 -6.805 -8.223 1.00 1.00 C ATOM 0 H LEU A 78 80.303 -6.115 -8.049 1.00 1.00 H new ATOM 0 HA LEU A 78 81.907 -8.495 -8.812 1.00 1.00 H new ATOM 0 HB2 LEU A 78 83.072 -6.325 -9.636 1.00 1.00 H new ATOM 0 HB3 LEU A 78 83.247 -5.897 -7.946 1.00 1.00 H new ATOM 0 HG LEU A 78 84.216 -8.373 -7.725 1.00 1.00 H new ATOM 0 HD11 LEU A 78 85.442 -9.039 -9.775 1.00 1.00 H new ATOM 0 HD12 LEU A 78 83.688 -8.992 -10.068 1.00 1.00 H new ATOM 0 HD13 LEU A 78 84.723 -7.667 -10.651 1.00 1.00 H new ATOM 0 HD21 LEU A 78 86.481 -7.453 -8.149 1.00 1.00 H new ATOM 0 HD22 LEU A 78 85.760 -6.082 -9.024 1.00 1.00 H new ATOM 0 HD23 LEU A 78 85.467 -6.277 -7.280 1.00 1.00 H new ATOM 1154 N HIS A 79 81.970 -8.988 -6.355 1.00 1.00 N ATOM 1155 CA HIS A 79 81.909 -9.278 -4.894 1.00 1.00 C ATOM 1156 C HIS A 79 82.772 -10.502 -4.582 1.00 1.00 C ATOM 1157 O HIS A 79 82.799 -11.460 -5.328 1.00 1.00 O ATOM 1158 CB HIS A 79 80.460 -9.555 -4.488 1.00 1.00 C ATOM 1159 CG HIS A 79 79.553 -8.559 -5.157 1.00 1.00 C ATOM 1160 ND1 HIS A 79 79.173 -7.376 -4.541 1.00 1.00 N ATOM 1161 CD2 HIS A 79 78.943 -8.555 -6.388 1.00 1.00 C ATOM 1162 CE1 HIS A 79 78.369 -6.714 -5.393 1.00 1.00 C ATOM 1163 NE2 HIS A 79 78.198 -7.388 -6.531 1.00 1.00 N ATOM 0 H HIS A 79 82.144 -9.797 -6.951 1.00 1.00 H new ATOM 0 HA HIS A 79 82.282 -8.419 -4.336 1.00 1.00 H new ATOM 0 HB2 HIS A 79 80.178 -10.569 -4.774 1.00 1.00 H new ATOM 0 HB3 HIS A 79 80.355 -9.488 -3.405 1.00 1.00 H new ATOM 0 HD2 HIS A 79 79.028 -9.336 -7.129 1.00 1.00 H new ATOM 0 HE1 HIS A 79 77.918 -5.756 -5.181 1.00 1.00 H new ATOM 0 HE2 HIS A 79 77.639 -7.107 -7.337 1.00 1.00 H new ATOM 1172 N GLU A 80 83.478 -10.478 -3.483 1.00 1.00 N ATOM 1173 CA GLU A 80 84.340 -11.640 -3.122 1.00 1.00 C ATOM 1174 C GLU A 80 84.429 -11.755 -1.599 1.00 1.00 C ATOM 1175 O GLU A 80 84.297 -12.826 -1.040 1.00 1.00 O ATOM 1176 CB GLU A 80 85.744 -11.433 -3.698 1.00 1.00 C ATOM 1177 CG GLU A 80 85.661 -11.326 -5.222 1.00 1.00 C ATOM 1178 CD GLU A 80 87.064 -11.445 -5.820 1.00 1.00 C ATOM 1179 OE1 GLU A 80 87.863 -10.552 -5.588 1.00 1.00 O ATOM 1180 OE2 GLU A 80 87.316 -12.427 -6.499 1.00 1.00 O ATOM 0 H GLU A 80 83.495 -9.703 -2.820 1.00 1.00 H new ATOM 0 HA GLU A 80 83.908 -12.553 -3.532 1.00 1.00 H new ATOM 0 HB2 GLU A 80 86.189 -10.528 -3.283 1.00 1.00 H new ATOM 0 HB3 GLU A 80 86.390 -12.264 -3.416 1.00 1.00 H new ATOM 0 HG2 GLU A 80 85.018 -12.112 -5.618 1.00 1.00 H new ATOM 0 HG3 GLU A 80 85.213 -10.374 -5.506 1.00 1.00 H new ATOM 1187 N LEU A 81 84.653 -10.661 -0.924 1.00 1.00 N ATOM 1188 CA LEU A 81 84.751 -10.712 0.562 1.00 1.00 C ATOM 1189 C LEU A 81 83.347 -10.809 1.164 1.00 1.00 C ATOM 1190 O LEU A 81 83.148 -11.406 2.203 1.00 1.00 O ATOM 1191 CB LEU A 81 85.446 -9.444 1.074 1.00 1.00 C ATOM 1192 CG LEU A 81 84.663 -8.208 0.627 1.00 1.00 C ATOM 1193 CD1 LEU A 81 83.786 -7.714 1.779 1.00 1.00 C ATOM 1194 CD2 LEU A 81 85.642 -7.104 0.223 1.00 1.00 C ATOM 0 H LEU A 81 84.772 -9.736 -1.336 1.00 1.00 H new ATOM 0 HA LEU A 81 85.332 -11.586 0.858 1.00 1.00 H new ATOM 0 HB2 LEU A 81 85.514 -9.469 2.162 1.00 1.00 H new ATOM 0 HB3 LEU A 81 86.466 -9.398 0.692 1.00 1.00 H new ATOM 0 HG LEU A 81 84.033 -8.466 -0.224 1.00 1.00 H new ATOM 0 HD11 LEU A 81 83.228 -6.833 1.460 1.00 1.00 H new ATOM 0 HD12 LEU A 81 83.088 -8.500 2.068 1.00 1.00 H new ATOM 0 HD13 LEU A 81 84.415 -7.456 2.631 1.00 1.00 H new ATOM 0 HD21 LEU A 81 85.085 -6.223 -0.096 1.00 1.00 H new ATOM 0 HD22 LEU A 81 86.272 -6.847 1.075 1.00 1.00 H new ATOM 0 HD23 LEU A 81 86.267 -7.455 -0.598 1.00 1.00 H new ATOM 1206 N ALA A 82 82.370 -10.228 0.520 1.00 1.00 N ATOM 1207 CA ALA A 82 80.982 -10.291 1.060 1.00 1.00 C ATOM 1208 C ALA A 82 80.535 -11.751 1.145 1.00 1.00 C ATOM 1209 O ALA A 82 80.044 -12.315 0.187 1.00 1.00 O ATOM 1210 CB ALA A 82 80.037 -9.521 0.135 1.00 1.00 C ATOM 0 H ALA A 82 82.473 -9.714 -0.355 1.00 1.00 H new ATOM 0 HA ALA A 82 80.959 -9.845 2.054 1.00 1.00 H new ATOM 0 HB1 ALA A 82 79.022 -9.568 0.531 1.00 1.00 H new ATOM 0 HB2 ALA A 82 80.355 -8.480 0.074 1.00 1.00 H new ATOM 0 HB3 ALA A 82 80.059 -9.966 -0.860 1.00 1.00 H new ATOM 1216 N GLN A 83 80.701 -12.368 2.283 1.00 1.00 N ATOM 1217 CA GLN A 83 80.286 -13.793 2.422 1.00 1.00 C ATOM 1218 C GLN A 83 80.135 -14.139 3.906 1.00 1.00 C ATOM 1219 O GLN A 83 79.520 -15.123 4.264 1.00 1.00 O ATOM 1220 CB GLN A 83 81.351 -14.695 1.787 1.00 1.00 C ATOM 1221 CG GLN A 83 81.015 -16.162 2.064 1.00 1.00 C ATOM 1222 CD GLN A 83 79.579 -16.449 1.623 1.00 1.00 C ATOM 1223 OE1 GLN A 83 79.364 -16.998 0.459 1.00 1.00 O flip ATOM 1224 NE2 GLN A 83 78.642 -16.172 2.346 1.00 1.00 N flip ATOM 0 H GLN A 83 81.105 -11.948 3.120 1.00 1.00 H new ATOM 0 HA GLN A 83 79.332 -13.948 1.918 1.00 1.00 H new ATOM 0 HB2 GLN A 83 81.397 -14.519 0.712 1.00 1.00 H new ATOM 0 HB3 GLN A 83 82.334 -14.454 2.192 1.00 1.00 H new ATOM 0 HG2 GLN A 83 81.708 -16.812 1.529 1.00 1.00 H new ATOM 0 HG3 GLN A 83 81.131 -16.378 3.126 1.00 1.00 H new ATOM 0 HE21 GLN A 83 78.809 -15.743 3.256 1.00 1.00 H new ATOM 0 HE22 GLN A 83 77.688 -16.369 2.043 1.00 1.00 H new ATOM 1233 N TYR A 84 80.695 -13.337 4.772 1.00 1.00 N ATOM 1234 CA TYR A 84 80.590 -13.619 6.236 1.00 1.00 C ATOM 1235 C TYR A 84 80.391 -12.300 6.991 1.00 1.00 C ATOM 1236 O TYR A 84 80.600 -12.219 8.185 1.00 1.00 O ATOM 1237 CB TYR A 84 81.878 -14.308 6.716 1.00 1.00 C ATOM 1238 CG TYR A 84 82.917 -14.248 5.622 1.00 1.00 C ATOM 1239 CD1 TYR A 84 83.586 -13.047 5.357 1.00 1.00 C ATOM 1240 CD2 TYR A 84 83.211 -15.393 4.872 1.00 1.00 C ATOM 1241 CE1 TYR A 84 84.549 -12.991 4.343 1.00 1.00 C ATOM 1242 CE2 TYR A 84 84.174 -15.337 3.857 1.00 1.00 C ATOM 1243 CZ TYR A 84 84.843 -14.136 3.593 1.00 1.00 C ATOM 1244 OH TYR A 84 85.792 -14.081 2.593 1.00 1.00 O ATOM 0 H TYR A 84 81.221 -12.498 4.530 1.00 1.00 H new ATOM 0 HA TYR A 84 79.741 -14.275 6.427 1.00 1.00 H new ATOM 0 HB2 TYR A 84 82.252 -13.818 7.615 1.00 1.00 H new ATOM 0 HB3 TYR A 84 81.672 -15.345 6.980 1.00 1.00 H new ATOM 0 HD1 TYR A 84 83.359 -12.164 5.935 1.00 1.00 H new ATOM 0 HD2 TYR A 84 82.695 -16.320 5.076 1.00 1.00 H new ATOM 0 HE1 TYR A 84 85.065 -12.065 4.139 1.00 1.00 H new ATOM 0 HE2 TYR A 84 84.401 -16.220 3.278 1.00 1.00 H new ATOM 0 HH TYR A 84 85.875 -14.962 2.172 1.00 1.00 H new ATOM 1254 N GLY A 85 79.988 -11.266 6.302 1.00 1.00 N ATOM 1255 CA GLY A 85 79.775 -9.955 6.980 1.00 1.00 C ATOM 1256 C GLY A 85 78.976 -9.024 6.065 1.00 1.00 C ATOM 1257 O GLY A 85 78.306 -8.118 6.520 1.00 1.00 O ATOM 0 H GLY A 85 79.797 -11.273 5.300 1.00 1.00 H new ATOM 0 HA2 GLY A 85 79.242 -10.103 7.919 1.00 1.00 H new ATOM 0 HA3 GLY A 85 80.735 -9.502 7.226 1.00 1.00 H new ATOM 1261 N ILE A 86 79.039 -9.240 4.779 1.00 1.00 N ATOM 1262 CA ILE A 86 78.280 -8.366 3.835 1.00 1.00 C ATOM 1263 C ILE A 86 78.469 -6.896 4.229 1.00 1.00 C ATOM 1264 O ILE A 86 79.520 -6.323 4.028 1.00 1.00 O ATOM 1265 CB ILE A 86 76.794 -8.736 3.885 1.00 1.00 C ATOM 1266 CG1 ILE A 86 76.635 -10.238 3.640 1.00 1.00 C ATOM 1267 CG2 ILE A 86 76.038 -7.962 2.804 1.00 1.00 C ATOM 1268 CD1 ILE A 86 75.156 -10.617 3.731 1.00 1.00 C ATOM 0 H ILE A 86 79.583 -9.983 4.340 1.00 1.00 H new ATOM 0 HA ILE A 86 78.652 -8.511 2.821 1.00 1.00 H new ATOM 0 HB ILE A 86 76.389 -8.481 4.864 1.00 1.00 H new ATOM 0 HG12 ILE A 86 77.029 -10.501 2.658 1.00 1.00 H new ATOM 0 HG13 ILE A 86 77.211 -10.800 4.375 1.00 1.00 H new ATOM 0 HG21 ILE A 86 74.981 -8.225 2.840 1.00 1.00 H new ATOM 0 HG22 ILE A 86 76.151 -6.892 2.976 1.00 1.00 H new ATOM 0 HG23 ILE A 86 76.442 -8.216 1.824 1.00 1.00 H new ATOM 0 HD11 ILE A 86 75.043 -11.687 3.556 1.00 1.00 H new ATOM 0 HD12 ILE A 86 74.777 -10.369 4.723 1.00 1.00 H new ATOM 0 HD13 ILE A 86 74.592 -10.065 2.979 1.00 1.00 H new ATOM 1280 N CYS A 87 77.461 -6.280 4.787 1.00 1.00 N ATOM 1281 CA CYS A 87 77.592 -4.850 5.187 1.00 1.00 C ATOM 1282 C CYS A 87 78.331 -4.760 6.524 1.00 1.00 C ATOM 1283 CB CYS A 87 76.200 -4.230 5.330 1.00 1.00 C ATOM 1284 SG CYS A 87 75.538 -3.845 3.690 1.00 1.00 S ATOM 0 H CYS A 87 76.555 -6.705 4.983 1.00 1.00 H new ATOM 0 HA CYS A 87 78.153 -4.310 4.425 1.00 1.00 H new ATOM 0 HB2 CYS A 87 75.535 -4.920 5.849 1.00 1.00 H new ATOM 0 HB3 CYS A 87 76.254 -3.324 5.934 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 64.774 -1.588 5.738 1.00 1.00 C HETATM 1291 O1G RCY A 110 62.505 -1.903 4.347 1.00 1.00 O HETATM 1292 O1H RCY A 110 59.896 -2.291 8.264 1.00 1.00 O HETATM 1293 O1J RCY A 110 66.687 -2.589 7.837 1.00 1.00 O HETATM 1294 C1L RCY A 110 60.094 -2.023 4.748 1.00 1.00 C HETATM 1295 C1M RCY A 110 62.960 -3.093 8.591 1.00 1.00 C HETATM 1296 C1P RCY A 110 61.577 -2.029 5.143 1.00 1.00 C HETATM 1297 C1Q RCY A 110 60.323 -2.426 7.118 1.00 1.00 C HETATM 1298 N1R RCY A 110 61.756 -2.210 6.650 1.00 1.00 N HETATM 1299 C1S RCY A 110 59.512 -2.843 5.904 1.00 1.00 C HETATM 1300 C1U RCY A 110 63.039 -2.184 7.483 1.00 1.00 C HETATM 1301 C1V RCY A 110 64.002 -3.989 5.991 1.00 1.00 C HETATM 1302 N1V RCY A 110 65.252 -2.858 7.843 1.00 1.00 N HETATM 1303 C1W RCY A 110 64.408 -3.400 8.995 1.00 1.00 C HETATM 1304 C1X RCY A 110 64.263 -2.660 6.702 1.00 1.00 C HETATM 1305 C1Y RCY A 110 64.616 -4.909 9.147 1.00 1.00 C HETATM 1306 C1Z RCY A 110 64.792 -2.671 10.283 1.00 1.00 C HETATM 0 H1ZB RCY A 110 64.694 -1.595 10.135 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 64.132 -2.988 11.091 1.00 1.00 H new HETATM 0 H1YB RCY A 110 63.946 -5.293 9.916 1.00 1.00 H new HETATM 0 H1YA RCY A 110 64.402 -5.403 8.199 1.00 1.00 H new HETATM 0 H1VB RCY A 110 63.252 -3.844 5.213 1.00 1.00 H new HETATM 0 H1VA RCY A 110 64.927 -4.349 5.541 1.00 1.00 H new HETATM 0 H1MA RCY A 110 62.410 -2.649 9.421 1.00 1.00 H new HETATM 0 H1LA RCY A 110 59.679 -1.016 4.700 1.00 1.00 H new HETATM 0 H1CB RCY A 110 63.989 -1.337 5.024 1.00 1.00 H new HETATM 0 H1CA RCY A 110 65.052 -0.696 6.300 1.00 1.00 H new HETATM 0 H1Z RCY A 110 65.824 -2.909 10.542 1.00 1.00 H new HETATM 0 H1Y RCY A 110 65.649 -5.107 9.434 1.00 1.00 H new HETATM 0 H1V RCY A 110 63.640 -4.722 6.712 1.00 1.00 H new HETATM 0 H1U RCY A 110 63.139 -1.143 7.790 1.00 1.00 H new HETATM 0 H1S RCY A 110 59.602 -3.913 5.716 1.00 1.00 H new HETATM 0 H1M RCY A 110 62.432 -4.004 8.310 1.00 1.00 H new HETATM 0 H1L RCY A 110 59.919 -2.487 3.777 1.00 1.00 H new HETATM 0 H1C RCY A 110 65.645 -1.966 5.202 1.00 1.00 H new HETATM 1309 C1C RCY A 121 68.608 -4.179 -8.301 1.00 1.00 C HETATM 1310 O1G RCY A 121 68.779 -5.362 -11.086 1.00 1.00 O HETATM 1311 O1H RCY A 121 66.126 -1.457 -11.175 1.00 1.00 O HETATM 1312 O1J RCY A 121 67.816 -1.385 -7.504 1.00 1.00 O HETATM 1313 C1L RCY A 121 68.729 -3.404 -12.553 1.00 1.00 C HETATM 1314 C1M RCY A 121 65.095 -3.470 -9.223 1.00 1.00 C HETATM 1315 C1P RCY A 121 68.258 -4.291 -11.394 1.00 1.00 C HETATM 1316 C1Q RCY A 121 66.769 -2.448 -11.516 1.00 1.00 C HETATM 1317 N1R RCY A 121 67.060 -3.679 -10.668 1.00 1.00 N HETATM 1318 C1S RCY A 121 67.422 -2.669 -12.869 1.00 1.00 C HETATM 1319 C1U RCY A 121 66.334 -4.168 -9.414 1.00 1.00 C HETATM 1320 C1V RCY A 121 66.524 -4.638 -6.933 1.00 1.00 C HETATM 1321 N1V RCY A 121 66.879 -2.394 -7.988 1.00 1.00 N HETATM 1322 C1W RCY A 121 65.443 -2.183 -8.464 1.00 1.00 C HETATM 1323 C1X RCY A 121 67.115 -3.891 -8.130 1.00 1.00 C HETATM 1324 C1Y RCY A 121 64.505 -1.993 -7.268 1.00 1.00 C HETATM 1325 C1Z RCY A 121 65.395 -0.965 -9.385 1.00 1.00 C HETATM 0 H1ZB RCY A 121 66.112 -1.094 -10.196 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 64.392 -0.862 -9.800 1.00 1.00 H new HETATM 0 H1YB RCY A 121 63.475 -1.928 -7.620 1.00 1.00 H new HETATM 0 H1YA RCY A 121 64.604 -2.841 -6.590 1.00 1.00 H new HETATM 0 H1VB RCY A 121 66.650 -5.711 -7.075 1.00 1.00 H new HETATM 0 H1VA RCY A 121 67.037 -4.330 -6.022 1.00 1.00 H new HETATM 0 H1MA RCY A 121 64.624 -3.243 -10.180 1.00 1.00 H new HETATM 0 H1LA RCY A 121 69.529 -2.725 -12.260 1.00 1.00 H new HETATM 0 H1CB RCY A 121 68.748 -5.227 -8.568 1.00 1.00 H new HETATM 0 H1CA RCY A 121 69.012 -3.546 -9.091 1.00 1.00 H new HETATM 0 H1Z RCY A 121 65.646 -0.069 -8.817 1.00 1.00 H new HETATM 0 H1Y RCY A 121 64.767 -1.075 -6.742 1.00 1.00 H new HETATM 0 H1V RCY A 121 65.462 -4.406 -6.847 1.00 1.00 H new HETATM 0 H1U RCY A 121 66.202 -5.237 -9.580 1.00 1.00 H new HETATM 0 H1S RCY A 121 66.784 -3.260 -13.525 1.00 1.00 H new HETATM 0 H1M RCY A 121 64.389 -4.077 -8.657 1.00 1.00 H new HETATM 0 H1L RCY A 121 69.097 -3.984 -13.399 1.00 1.00 H new HETATM 0 H1C RCY A 121 69.128 -3.970 -7.366 1.00 1.00 H new HETATM 1328 C1C RCY A 130 81.932 7.447 -8.619 1.00 1.00 C HETATM 1329 O1G RCY A 130 82.315 8.283 -3.688 1.00 1.00 O HETATM 1330 O1H RCY A 130 80.705 7.099 -4.836 1.00 1.00 O HETATM 1331 O1J RCY A 130 80.563 5.166 -7.207 1.00 1.00 O HETATM 1332 C1L RCY A 130 81.187 7.720 -5.852 1.00 1.00 C HETATM 1333 C1M RCY A 130 79.397 8.685 -6.225 1.00 1.00 C HETATM 1334 C1P RCY A 130 82.337 8.004 -4.870 1.00 1.00 C HETATM 1335 C1Q RCY A 130 81.772 7.707 -4.902 1.00 1.00 C HETATM 1336 N1R RCY A 130 81.839 8.761 -6.067 1.00 1.00 N HETATM 1337 C1S RCY A 130 82.349 8.756 -5.761 1.00 1.00 C HETATM 1338 C1U RCY A 130 80.610 8.845 -6.974 1.00 1.00 C HETATM 1339 C1V RCY A 130 79.498 7.984 -9.079 1.00 1.00 C HETATM 1340 N1V RCY A 130 80.133 6.559 -7.120 1.00 1.00 N HETATM 1341 C1W RCY A 130 79.157 7.174 -6.119 1.00 1.00 C HETATM 1342 C1X RCY A 130 80.557 7.721 -8.007 1.00 1.00 C HETATM 1343 C1Y RCY A 130 77.714 6.830 -6.497 1.00 1.00 C HETATM 1344 C1Z RCY A 130 79.485 6.657 -4.718 1.00 1.00 C HETATM 0 H1ZA RCY A 130 78.852 7.161 -3.987 1.00 1.00 H new HETATM 0 H1YB RCY A 130 77.029 7.344 -5.823 1.00 1.00 H new HETATM 0 H1YA RCY A 130 77.521 7.147 -7.522 1.00 1.00 H new HETATM 0 H1VB RCY A 130 79.787 8.852 -9.671 1.00 1.00 H new HETATM 0 H1MA RCY A 130 79.487 9.135 -5.236 1.00 1.00 H new HETATM 0 H1LA RCY A 130 81.184 6.880 -6.547 1.00 1.00 H new HETATM 0 H1CB RCY A 130 82.297 8.348 -9.112 1.00 1.00 H new HETATM 0 H1CA RCY A 130 82.629 7.156 -7.833 1.00 1.00 H new HETATM 0 H1Z RCY A 130 79.305 5.583 -4.675 1.00 1.00 H new HETATM 0 H1Y RCY A 130 77.563 5.754 -6.416 1.00 1.00 H new HETATM 0 H1V RCY A 130 78.537 8.174 -8.602 1.00 1.00 H new HETATM 0 H1U RCY A 130 80.693 9.822 -7.449 1.00 1.00 H new HETATM 0 H1S RCY A 130 82.195 9.822 -5.597 1.00 1.00 H new HETATM 0 H1M RCY A 130 78.563 9.178 -6.725 1.00 1.00 H new HETATM 0 H1C RCY A 130 81.852 6.641 -9.349 1.00 1.00 H new HETATM 1347 C1C RCY A 138 79.229 3.313 -0.125 1.00 1.00 C HETATM 1348 O1G RCY A 138 79.683 1.748 2.046 1.00 1.00 O HETATM 1349 O1H RCY A 138 84.360 1.826 1.400 1.00 1.00 O HETATM 1350 O1J RCY A 138 79.897 4.827 -2.641 1.00 1.00 O HETATM 1351 C1L RCY A 138 81.537 0.524 3.073 1.00 1.00 C HETATM 1352 C1M RCY A 138 82.879 3.350 -0.735 1.00 1.00 C HETATM 1353 C1P RCY A 138 80.890 1.513 2.095 1.00 1.00 C HETATM 1354 C1Q RCY A 138 83.207 1.444 1.592 1.00 1.00 C HETATM 1355 N1R RCY A 138 81.930 2.169 1.189 1.00 1.00 N HETATM 1356 C1S RCY A 138 82.794 0.155 2.278 1.00 1.00 C HETATM 1357 C1U RCY A 138 81.747 3.271 0.143 1.00 1.00 C HETATM 1358 C1V RCY A 138 80.610 1.592 -1.374 1.00 1.00 C HETATM 1359 N1V RCY A 138 80.860 4.031 -1.885 1.00 1.00 N HETATM 1360 C1W RCY A 138 82.382 4.040 -2.012 1.00 1.00 C HETATM 1361 C1X RCY A 138 80.570 3.008 -0.796 1.00 1.00 C HETATM 1362 C1Y RCY A 138 82.820 3.256 -3.252 1.00 1.00 C HETATM 1363 C1Z RCY A 138 82.870 5.486 -2.088 1.00 1.00 C HETATM 0 H1ZB RCY A 138 82.498 6.041 -1.227 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 83.960 5.503 -2.087 1.00 1.00 H new HETATM 0 H1YB RCY A 138 83.908 3.200 -3.281 1.00 1.00 H new HETATM 0 H1YA RCY A 138 82.406 2.249 -3.211 1.00 1.00 H new HETATM 0 H1VB RCY A 138 80.457 0.868 -0.574 1.00 1.00 H new HETATM 0 H1VA RCY A 138 79.823 1.481 -2.120 1.00 1.00 H new HETATM 0 H1MA RCY A 138 83.689 3.917 -0.276 1.00 1.00 H new HETATM 0 H1LA RCY A 138 81.770 0.980 4.035 1.00 1.00 H new HETATM 0 H1CB RCY A 138 79.111 2.682 0.756 1.00 1.00 H new HETATM 0 H1CA RCY A 138 79.201 4.361 0.173 1.00 1.00 H new HETATM 0 H1Z RCY A 138 82.501 5.947 -3.004 1.00 1.00 H new HETATM 0 H1Y RCY A 138 82.458 3.761 -4.148 1.00 1.00 H new HETATM 0 H1V RCY A 138 81.579 1.417 -1.841 1.00 1.00 H new HETATM 0 H1U RCY A 138 81.597 4.177 0.730 1.00 1.00 H new HETATM 0 H1S RCY A 138 82.587 -0.631 1.552 1.00 1.00 H new HETATM 0 H1M RCY A 138 83.270 2.357 -0.956 1.00 1.00 H new HETATM 0 H1L RCY A 138 80.902 -0.339 3.275 1.00 1.00 H new HETATM 0 H1C RCY A 138 78.418 3.113 -0.825 1.00 1.00 H new HETATM 1366 C1C RCY A 150 83.130 5.503 4.876 1.00 1.00 C HETATM 1367 O1G RCY A 150 84.100 6.544 7.340 1.00 1.00 O HETATM 1368 O1H RCY A 150 79.957 5.353 9.268 1.00 1.00 O HETATM 1369 O1J RCY A 150 81.330 6.476 2.666 1.00 1.00 O HETATM 1370 C1L RCY A 150 83.384 6.117 9.640 1.00 1.00 C HETATM 1371 C1M RCY A 150 79.985 6.906 6.231 1.00 1.00 C HETATM 1372 C1P RCY A 150 83.193 6.275 8.126 1.00 1.00 C HETATM 1373 C1Q RCY A 150 81.051 5.877 9.066 1.00 1.00 C HETATM 1374 N1R RCY A 150 81.737 6.058 7.718 1.00 1.00 N HETATM 1375 C1S RCY A 150 81.971 6.465 10.121 1.00 1.00 C HETATM 1376 C1U RCY A 150 81.117 6.028 6.319 1.00 1.00 C HETATM 1377 C1V RCY A 150 82.690 7.886 5.622 1.00 1.00 C HETATM 1378 N1V RCY A 150 81.091 6.724 4.085 1.00 1.00 N HETATM 1379 C1W RCY A 150 79.805 7.223 4.742 1.00 1.00 C HETATM 1380 C1X RCY A 150 82.067 6.542 5.239 1.00 1.00 C HETATM 1381 C1Y RCY A 150 79.646 8.731 4.528 1.00 1.00 C HETATM 1382 C1Z RCY A 150 78.615 6.466 4.152 1.00 1.00 C HETATM 0 H1ZB RCY A 150 78.776 5.393 4.261 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 77.705 6.751 4.679 1.00 1.00 H new HETATM 0 H1YB RCY A 150 78.771 9.086 5.073 1.00 1.00 H new HETATM 0 H1YA RCY A 150 80.534 9.246 4.894 1.00 1.00 H new HETATM 0 H1VB RCY A 150 83.344 7.752 6.484 1.00 1.00 H new HETATM 0 H1VA RCY A 150 83.270 8.270 4.783 1.00 1.00 H new HETATM 0 H1MA RCY A 150 79.092 6.432 6.639 1.00 1.00 H new HETATM 0 H1LA RCY A 150 83.683 5.107 9.920 1.00 1.00 H new HETATM 0 H1CB RCY A 150 83.718 5.260 5.761 1.00 1.00 H new HETATM 0 H1CA RCY A 150 82.645 4.601 4.503 1.00 1.00 H new HETATM 0 H1Z RCY A 150 78.515 6.713 3.095 1.00 1.00 H new HETATM 0 H1Y RCY A 150 79.519 8.936 3.465 1.00 1.00 H new HETATM 0 H1V RCY A 150 81.901 8.595 5.872 1.00 1.00 H new HETATM 0 H1U RCY A 150 80.859 4.981 6.161 1.00 1.00 H new HETATM 0 H1S RCY A 150 81.836 7.543 10.208 1.00 1.00 H new HETATM 0 H1M RCY A 150 80.153 7.817 6.805 1.00 1.00 H new HETATM 0 H1L RCY A 150 84.139 6.795 10.038 1.00 1.00 H new HETATM 0 H1C RCY A 150 83.786 5.907 4.105 1.00 1.00 H new HETATM 1385 C1C RCY A 160 74.830 7.946 -4.313 1.00 1.00 C HETATM 1386 O1G RCY A 160 74.929 10.580 -3.900 1.00 1.00 O HETATM 1387 O1H RCY A 160 75.719 10.096 0.730 1.00 1.00 O HETATM 1388 O1J RCY A 160 73.996 5.145 -3.585 1.00 1.00 O HETATM 1389 C1L RCY A 160 75.315 12.181 -2.091 1.00 1.00 C HETATM 1390 C1M RCY A 160 74.576 7.538 -0.644 1.00 1.00 C HETATM 1391 C1P RCY A 160 75.115 10.788 -2.703 1.00 1.00 C HETATM 1392 C1Q RCY A 160 75.307 10.502 -0.355 1.00 1.00 C HETATM 1393 N1R RCY A 160 75.177 9.693 -1.639 1.00 1.00 N HETATM 1394 C1S RCY A 160 74.832 11.911 -0.662 1.00 1.00 C HETATM 1395 C1U RCY A 160 75.123 8.173 -1.809 1.00 1.00 C HETATM 1396 C1V RCY A 160 72.821 8.407 -2.837 1.00 1.00 C HETATM 1397 N1V RCY A 160 74.075 6.249 -2.632 1.00 1.00 N HETATM 1398 C1W RCY A 160 74.060 6.169 -1.107 1.00 1.00 C HETATM 1399 C1X RCY A 160 74.192 7.736 -2.939 1.00 1.00 C HETATM 1400 C1Y RCY A 160 72.636 5.931 -0.598 1.00 1.00 C HETATM 1401 C1Z RCY A 160 74.990 5.043 -0.655 1.00 1.00 C HETATM 0 H1ZB RCY A 160 75.983 5.200 -1.077 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 75.054 5.039 0.433 1.00 1.00 H new HETATM 0 H1YA RCY A 160 71.976 6.707 -0.986 1.00 1.00 H new HETATM 0 H1VA RCY A 160 72.154 7.988 -3.590 1.00 1.00 H new HETATM 0 H1MA RCY A 160 75.334 7.427 0.131 1.00 1.00 H new HETATM 0 H1LA RCY A 160 76.355 12.507 -2.126 1.00 1.00 H new HETATM 0 H1CB RCY A 160 75.061 9.002 -4.449 1.00 1.00 H new HETATM 0 H1CA RCY A 160 75.748 7.362 -4.381 1.00 1.00 H new HETATM 0 H1Z RCY A 160 74.597 4.086 -0.999 1.00 1.00 H new HETATM 0 H1U RCY A 160 76.156 7.887 -2.007 1.00 1.00 H new HETATM 0 H1S RCY A 160 73.747 11.988 -0.589 1.00 1.00 H new HETATM 0 H1M RCY A 160 73.769 8.134 -0.218 1.00 1.00 H new HETATM 0 H1C RCY A 160 74.136 7.623 -5.089 1.00 1.00 H new HETATM 1404 C1C RCY A 168 71.227 -0.321 -0.927 1.00 1.00 C HETATM 1405 O1G RCY A 168 72.328 4.819 0.318 1.00 1.00 O HETATM 1406 O1H RCY A 168 69.829 1.939 -2.468 1.00 1.00 O HETATM 1407 O1J RCY A 168 70.486 -1.559 1.716 1.00 1.00 O HETATM 1408 C1L RCY A 168 71.356 5.074 -1.913 1.00 1.00 C HETATM 1409 C1M RCY A 168 70.635 2.273 1.645 1.00 1.00 C HETATM 1410 C1P RCY A 168 71.712 4.323 -0.625 1.00 1.00 C HETATM 1411 C1Q RCY A 168 70.637 2.774 -2.065 1.00 1.00 C HETATM 1412 N1R RCY A 168 71.208 2.881 -0.657 1.00 1.00 N HETATM 1413 C1S RCY A 168 71.252 3.894 -2.885 1.00 1.00 C HETATM 1414 C1U RCY A 168 71.257 1.812 0.437 1.00 1.00 C HETATM 1415 C1V RCY A 168 69.059 0.890 -0.416 1.00 1.00 C HETATM 1416 N1V RCY A 168 70.408 -0.129 1.432 1.00 1.00 N HETATM 1417 C1W RCY A 168 70.246 1.015 2.432 1.00 1.00 C HETATM 1418 C1X RCY A 168 70.469 0.555 0.073 1.00 1.00 C HETATM 1419 C1Y RCY A 168 68.794 1.106 2.910 1.00 1.00 C HETATM 1420 C1Z RCY A 168 71.189 0.784 3.613 1.00 1.00 C HETATM 0 H1ZB RCY A 168 72.208 0.662 3.246 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 71.146 1.640 4.286 1.00 1.00 H new HETATM 0 H1YB RCY A 168 68.677 1.976 3.556 1.00 1.00 H new HETATM 0 H1YA RCY A 168 68.133 1.202 2.049 1.00 1.00 H new HETATM 0 H1VB RCY A 168 69.120 1.428 -1.362 1.00 1.00 H new HETATM 0 H1VA RCY A 168 68.495 -0.032 -0.558 1.00 1.00 H new HETATM 0 H1MA RCY A 168 71.318 2.897 2.221 1.00 1.00 H new HETATM 0 H1LA RCY A 168 70.421 5.628 -1.828 1.00 1.00 H new HETATM 0 H1CB RCY A 168 71.410 0.245 -1.841 1.00 1.00 H new HETATM 0 H1CA RCY A 168 72.179 -0.628 -0.494 1.00 1.00 H new HETATM 0 H1Z RCY A 168 70.886 -0.115 4.150 1.00 1.00 H new HETATM 0 H1Y RCY A 168 68.537 0.205 3.466 1.00 1.00 H new HETATM 0 H1V RCY A 168 68.556 1.513 0.323 1.00 1.00 H new HETATM 0 H1U RCY A 168 72.319 1.599 0.557 1.00 1.00 H new HETATM 0 H1S RCY A 168 72.231 3.611 -3.271 1.00 1.00 H new HETATM 0 H1M RCY A 168 69.758 2.881 1.424 1.00 1.00 H new HETATM 0 H1L RCY A 168 72.125 5.789 -2.205 1.00 1.00 H new HETATM 0 H1C RCY A 168 70.633 -1.205 -1.160 1.00 1.00 H new HETATM 1423 C1C RCY A 173 80.770 2.001 -5.846 1.00 1.00 C HETATM 1424 O1G RCY A 173 76.797 2.683 -7.803 1.00 1.00 O HETATM 1425 O1H RCY A 173 80.318 5.790 -7.306 1.00 1.00 O HETATM 1426 O1J RCY A 173 79.940 0.954 -3.147 1.00 1.00 O HETATM 1427 C1L RCY A 173 77.781 4.352 -9.297 1.00 1.00 C HETATM 1428 C1M RCY A 173 77.596 3.544 -4.731 1.00 1.00 C HETATM 1429 C1P RCY A 173 77.610 3.589 -7.977 1.00 1.00 C HETATM 1430 C1Q RCY A 173 79.248 5.267 -7.611 1.00 1.00 C HETATM 1431 N1R RCY A 173 78.576 4.095 -6.907 1.00 1.00 N HETATM 1432 C1S RCY A 173 78.349 5.672 -8.765 1.00 1.00 C HETATM 1433 C1U RCY A 173 78.814 3.569 -5.490 1.00 1.00 C HETATM 1434 C1V RCY A 173 78.409 1.217 -6.335 1.00 1.00 C HETATM 1435 N1V RCY A 173 79.095 1.790 -3.995 1.00 1.00 N HETATM 1436 C1W RCY A 173 77.817 2.528 -3.603 1.00 1.00 C HETATM 1437 C1X RCY A 173 79.291 2.118 -5.469 1.00 1.00 C HETATM 1438 C1Y RCY A 173 76.640 1.553 -3.517 1.00 1.00 C HETATM 1439 C1Z RCY A 173 78.036 3.228 -2.261 1.00 1.00 C HETATM 0 H1ZB RCY A 173 78.914 3.871 -2.325 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 77.161 3.831 -2.018 1.00 1.00 H new HETATM 0 H1YB RCY A 173 75.723 2.107 -3.318 1.00 1.00 H new HETATM 0 H1YA RCY A 173 76.542 1.016 -4.461 1.00 1.00 H new HETATM 0 H1VB RCY A 173 78.518 1.500 -7.382 1.00 1.00 H new HETATM 0 H1VA RCY A 173 78.713 0.178 -6.206 1.00 1.00 H new HETATM 0 H1MA RCY A 173 77.368 4.531 -4.327 1.00 1.00 H new HETATM 0 H1LA RCY A 173 78.463 3.851 -9.984 1.00 1.00 H new HETATM 0 H1CB RCY A 173 80.922 2.397 -6.850 1.00 1.00 H new HETATM 0 H1CA RCY A 173 81.372 2.569 -5.137 1.00 1.00 H new HETATM 0 H1Z RCY A 173 78.190 2.481 -1.482 1.00 1.00 H new HETATM 0 H1Y RCY A 173 76.816 0.841 -2.711 1.00 1.00 H new HETATM 0 H1V RCY A 173 77.367 1.330 -6.035 1.00 1.00 H new HETATM 0 H1U RCY A 173 79.563 4.244 -5.075 1.00 1.00 H new HETATM 0 H1S RCY A 173 77.554 6.340 -8.432 1.00 1.00 H new HETATM 0 H1M RCY A 173 76.753 3.253 -5.357 1.00 1.00 H new HETATM 0 H1C RCY A 173 81.071 0.954 -5.819 1.00 1.00 H new HETATM 1442 C1C RCY A 176 77.190 -2.962 -3.062 1.00 1.00 C HETATM 1443 O1G RCY A 176 73.500 -5.773 -5.547 1.00 1.00 O HETATM 1444 O1H RCY A 176 77.015 -2.653 -5.088 1.00 1.00 O HETATM 1445 O1J RCY A 176 75.134 -0.808 -2.613 1.00 1.00 O HETATM 1446 C1L RCY A 176 74.780 -4.444 -7.154 1.00 1.00 C HETATM 1447 C1M RCY A 176 73.811 -4.407 -2.628 1.00 1.00 C HETATM 1448 C1P RCY A 176 74.366 -4.925 -5.758 1.00 1.00 C HETATM 1449 C1Q RCY A 176 75.988 -3.220 -5.459 1.00 1.00 C HETATM 1450 N1R RCY A 176 75.164 -4.222 -4.661 1.00 1.00 N HETATM 1451 C1S RCY A 176 75.307 -3.047 -6.804 1.00 1.00 C HETATM 1452 C1U RCY A 176 75.147 -4.456 -3.149 1.00 1.00 C HETATM 1453 C1V RCY A 176 76.110 -3.763 -0.912 1.00 1.00 C HETATM 1454 N1V RCY A 176 74.869 -2.236 -2.461 1.00 1.00 N HETATM 1455 C1W RCY A 176 73.512 -2.928 -2.356 1.00 1.00 C HETATM 1456 C1X RCY A 176 75.885 -3.366 -2.372 1.00 1.00 C HETATM 1457 C1Y RCY A 176 72.925 -2.746 -0.954 1.00 1.00 C HETATM 1458 C1Z RCY A 176 72.571 -2.348 -3.413 1.00 1.00 C HETATM 0 H1ZB RCY A 176 73.032 -2.433 -4.397 1.00 1.00 H new HETATM 0 H1ZA RCY A 176 71.631 -2.899 -3.404 1.00 1.00 H new HETATM 0 H1YB RCY A 176 71.999 -3.314 -0.871 1.00 1.00 H new HETATM 0 H1YA RCY A 176 73.638 -3.104 -0.212 1.00 1.00 H new HETATM 0 H1VB RCY A 176 76.796 -4.609 -0.867 1.00 1.00 H new HETATM 0 H1VA RCY A 176 76.537 -2.921 -0.368 1.00 1.00 H new HETATM 0 H1MA RCY A 176 73.100 -4.823 -3.341 1.00 1.00 H new HETATM 0 H1LA RCY A 176 75.544 -5.078 -7.604 1.00 1.00 H new HETATM 0 H1CB RCY A 176 77.845 -3.830 -3.139 1.00 1.00 H new HETATM 0 H1CA RCY A 176 76.971 -2.582 -4.060 1.00 1.00 H new HETATM 0 H1Z RCY A 176 72.378 -1.298 -3.192 1.00 1.00 H new HETATM 0 H1Y RCY A 176 72.720 -1.690 -0.780 1.00 1.00 H new HETATM 0 H1V RCY A 176 75.158 -4.042 -0.460 1.00 1.00 H new HETATM 0 H1U RCY A 176 75.620 -5.430 -3.023 1.00 1.00 H new HETATM 0 H1S RCY A 176 74.497 -2.320 -6.747 1.00 1.00 H new HETATM 0 H1M RCY A 176 73.728 -4.995 -1.714 1.00 1.00 H new HETATM 0 H1L RCY A 176 73.942 -4.412 -7.850 1.00 1.00 H new HETATM 0 H1C RCY A 176 77.685 -2.185 -2.479 1.00 1.00 H new HETATM 1461 C1C RCY A 187 81.282 -4.539 3.114 1.00 1.00 C HETATM 1462 O1G RCY A 187 77.584 -6.061 -0.470 1.00 1.00 O HETATM 1463 O1H RCY A 187 78.463 -4.489 3.896 1.00 1.00 O HETATM 1464 O1J RCY A 187 83.684 -5.597 1.637 1.00 1.00 O HETATM 1465 C1L RCY A 187 76.231 -4.872 1.186 1.00 1.00 C HETATM 1466 C1M RCY A 187 80.269 -6.704 0.289 1.00 1.00 C HETATM 1467 C1P RCY A 187 77.486 -5.578 0.657 1.00 1.00 C HETATM 1468 C1Q RCY A 187 77.913 -4.988 2.915 1.00 1.00 C HETATM 1469 N1R RCY A 187 78.599 -5.606 1.703 1.00 1.00 N HETATM 1470 C1S RCY A 187 76.416 -5.101 2.690 1.00 1.00 C HETATM 1471 C1U RCY A 187 80.035 -6.120 1.578 1.00 1.00 C HETATM 1472 C1V RCY A 187 80.739 -3.837 0.739 1.00 1.00 C HETATM 1473 N1V RCY A 187 82.308 -5.740 1.170 1.00 1.00 N HETATM 1474 C1W RCY A 187 81.787 -6.663 0.070 1.00 1.00 C HETATM 1475 C1X RCY A 187 81.074 -5.003 1.671 1.00 1.00 C HETATM 1476 C1Y RCY A 187 82.117 -6.091 -1.311 1.00 1.00 C HETATM 1477 C1Z RCY A 187 82.410 -8.049 0.242 1.00 1.00 C HETATM 0 H1ZB RCY A 187 82.215 -8.413 1.251 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 81.974 -8.737 -0.483 1.00 1.00 H new HETATM 0 H1YB RCY A 187 81.666 -6.717 -2.081 1.00 1.00 H new HETATM 0 H1YA RCY A 187 81.722 -5.078 -1.389 1.00 1.00 H new HETATM 0 H1VB RCY A 187 79.823 -3.353 1.077 1.00 1.00 H new HETATM 0 H1VA RCY A 187 81.556 -3.116 0.751 1.00 1.00 H new HETATM 0 H1MA RCY A 187 79.898 -7.728 0.252 1.00 1.00 H new HETATM 0 H1LA RCY A 187 76.206 -3.814 0.925 1.00 1.00 H new HETATM 0 H1CB RCY A 187 80.340 -4.164 3.515 1.00 1.00 H new HETATM 0 H1CA RCY A 187 81.626 -5.377 3.720 1.00 1.00 H new HETATM 0 H1Z RCY A 187 83.486 -7.987 0.081 1.00 1.00 H new HETATM 0 H1Y RCY A 187 83.198 -6.070 -1.447 1.00 1.00 H new HETATM 0 H1V RCY A 187 80.599 -4.211 -0.275 1.00 1.00 H new HETATM 0 H1U RCY A 187 80.138 -6.833 2.396 1.00 1.00 H new HETATM 0 H1S RCY A 187 76.043 -6.080 2.990 1.00 1.00 H new HETATM 0 H1M RCY A 187 79.748 -6.148 -0.491 1.00 1.00 H new HETATM 0 H1L RCY A 187 75.311 -5.316 0.806 1.00 1.00 H new HETATM 0 H1C RCY A 187 82.028 -3.745 3.137 1.00 1.00 H new